USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 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 15 THR OG1 : rot -69:sc= 0.282 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 149:sc= -0.421 (180deg=-1.42) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -160:sc= -0.122 (180deg=-0.593) USER MOD Single : A 10 GLN : amide:sc= -7.11! C(o=-7.1!,f=-15!) USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= -0.612 (180deg=-2.48!) USER MOD Single : A 17 THR OG1 : rot -50:sc= 0.721 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00944 USER MOD Single : A 30 THR OG1 : rot -140:sc= -1.75 USER MOD Single : A 33 ASN : amide:sc= 0.274 X(o=0.27,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0151) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= 0.374 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.19 X(o=-2.2,f=-1.9) USER MOD Single : A 49 GLN : amide:sc= -3.28! C(o=-3.3!,f=-9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00777 X(o=-0.0078,f=0) USER MOD Single : A 63 THR OG1 : rot 59:sc= 0.549 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.35) USER MOD Single : A 70 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00686) USER MOD Single : A 73 SER OG : rot -72:sc= -3.24! 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) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.516 9.867 -16.714 1.00 0.00 N ATOM 100 CA SER A 8 -5.652 10.341 -15.932 1.00 0.00 C ATOM 101 C SER A 8 -6.613 11.145 -16.803 1.00 0.00 C ATOM 102 O SER A 8 -6.317 11.446 -17.959 1.00 0.00 O ATOM 103 CB SER A 8 -5.170 11.198 -14.760 1.00 0.00 C ATOM 104 OG SER A 8 -5.611 10.666 -13.524 1.00 0.00 O ATOM 0 HA SER A 8 -6.182 9.471 -15.543 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.081 11.252 -14.768 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.541 12.217 -14.874 1.00 0.00 H new ATOM 0 HG SER A 8 -5.288 11.231 -12.791 1.00 0.00 H new ATOM 110 N MET A 9 -7.766 11.490 -16.238 1.00 0.00 N ATOM 111 CA MET A 9 -8.771 12.260 -16.962 1.00 0.00 C ATOM 112 C MET A 9 -9.687 13.002 -15.994 1.00 0.00 C ATOM 113 O MET A 9 -10.060 12.472 -14.948 1.00 0.00 O ATOM 114 CB MET A 9 -9.598 11.341 -17.862 1.00 0.00 C ATOM 115 CG MET A 9 -10.862 11.993 -18.400 1.00 0.00 C ATOM 116 SD MET A 9 -11.791 10.906 -19.498 1.00 0.00 S ATOM 117 CE MET A 9 -10.638 10.732 -20.857 1.00 0.00 C ATOM 0 H MET A 9 -8.027 11.249 -15.282 1.00 0.00 H new ATOM 0 HA MET A 9 -8.255 12.993 -17.581 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.982 11.016 -18.700 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.871 10.447 -17.302 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.497 12.289 -17.565 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.596 12.904 -18.936 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.173 10.402 -21.748 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.161 11.692 -21.055 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.878 9.996 -20.597 1.00 0.00 H new ATOM 127 N GLN A 10 -10.046 14.231 -16.351 1.00 0.00 N ATOM 128 CA GLN A 10 -10.918 15.046 -15.513 1.00 0.00 C ATOM 129 C GLN A 10 -12.372 14.918 -15.955 1.00 0.00 C ATOM 130 O GLN A 10 -12.668 14.899 -17.150 1.00 0.00 O ATOM 131 CB GLN A 10 -10.484 16.512 -15.562 1.00 0.00 C ATOM 132 CG GLN A 10 -9.864 17.006 -14.265 1.00 0.00 C ATOM 133 CD GLN A 10 -10.729 16.713 -13.055 1.00 0.00 C ATOM 134 OE1 GLN A 10 -11.939 16.515 -13.176 1.00 0.00 O ATOM 135 NE2 GLN A 10 -10.113 16.682 -11.880 1.00 0.00 N ATOM 0 H GLN A 10 -9.747 14.684 -17.214 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.836 14.685 -14.488 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.766 16.643 -16.371 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.349 17.131 -15.800 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.889 16.538 -14.132 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.695 18.081 -14.334 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.109 16.852 -11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.644 16.488 -11.031 1.00 0.00 H new ATOM 144 N ILE A 11 -13.275 14.831 -14.984 1.00 0.00 N ATOM 145 CA ILE A 11 -14.698 14.707 -15.274 1.00 0.00 C ATOM 146 C ILE A 11 -15.514 15.707 -14.463 1.00 0.00 C ATOM 147 O ILE A 11 -14.993 16.362 -13.559 1.00 0.00 O ATOM 148 CB ILE A 11 -15.210 13.285 -14.979 1.00 0.00 C ATOM 149 CG1 ILE A 11 -14.930 12.910 -13.522 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.563 12.282 -15.923 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.815 11.799 -13.003 1.00 0.00 C ATOM 0 H ILE A 11 -13.046 14.844 -13.990 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.823 14.917 -16.336 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.288 13.263 -15.140 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.887 12.607 -13.427 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.064 13.792 -12.896 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.935 11.282 -15.702 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.809 12.541 -16.953 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.481 12.304 -15.791 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.561 11.586 -11.965 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.859 12.106 -13.065 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.664 10.903 -13.605 1.00 0.00 H new ATOM 163 N PHE A 12 -16.797 15.821 -14.791 1.00 0.00 N ATOM 164 CA PHE A 12 -17.686 16.741 -14.092 1.00 0.00 C ATOM 165 C PHE A 12 -18.918 16.012 -13.564 1.00 0.00 C ATOM 166 O PHE A 12 -19.594 15.296 -14.303 1.00 0.00 O ATOM 167 CB PHE A 12 -18.113 17.877 -15.024 1.00 0.00 C ATOM 168 CG PHE A 12 -16.959 18.660 -15.581 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.307 19.606 -14.806 1.00 0.00 C ATOM 170 CD2 PHE A 12 -16.525 18.451 -16.881 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.245 20.328 -15.317 1.00 0.00 C ATOM 172 CE2 PHE A 12 -15.464 19.170 -17.397 1.00 0.00 C ATOM 173 CZ PHE A 12 -14.823 20.109 -16.614 1.00 0.00 C ATOM 0 H PHE A 12 -17.244 15.287 -15.537 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.142 17.159 -13.245 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.692 17.462 -15.849 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.773 18.554 -14.481 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.632 19.781 -13.791 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.022 17.717 -17.498 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.746 21.063 -14.703 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.137 18.998 -18.412 1.00 0.00 H new ATOM 0 HZ PHE A 12 -13.993 20.672 -17.015 1.00 0.00 H new ATOM 183 N VAL A 13 -19.204 16.198 -12.279 1.00 0.00 N ATOM 184 CA VAL A 13 -20.354 15.559 -11.651 1.00 0.00 C ATOM 185 C VAL A 13 -21.219 16.580 -10.920 1.00 0.00 C ATOM 186 O VAL A 13 -20.709 17.526 -10.319 1.00 0.00 O ATOM 187 CB VAL A 13 -19.916 14.468 -10.656 1.00 0.00 C ATOM 188 CG1 VAL A 13 -18.818 13.605 -11.260 1.00 0.00 C ATOM 189 CG2 VAL A 13 -19.455 15.094 -9.349 1.00 0.00 C ATOM 0 H VAL A 13 -18.655 16.786 -11.653 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.936 15.099 -12.450 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.773 13.828 -10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.521 12.840 -10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.188 13.128 -12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.957 14.228 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.149 14.309 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.612 15.757 -9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.273 15.665 -8.911 1.00 0.00 H new ATOM 199 N LYS A 14 -22.531 16.383 -10.976 1.00 0.00 N ATOM 200 CA LYS A 14 -23.469 17.285 -10.318 1.00 0.00 C ATOM 201 C LYS A 14 -23.923 16.715 -8.978 1.00 0.00 C ATOM 202 O LYS A 14 -24.412 15.588 -8.904 1.00 0.00 O ATOM 203 CB LYS A 14 -24.684 17.534 -11.215 1.00 0.00 C ATOM 204 CG LYS A 14 -24.511 18.711 -12.159 1.00 0.00 C ATOM 205 CD LYS A 14 -23.595 18.365 -13.321 1.00 0.00 C ATOM 206 CE LYS A 14 -23.909 19.206 -14.549 1.00 0.00 C ATOM 207 NZ LYS A 14 -25.265 18.913 -15.089 1.00 0.00 N ATOM 0 H LYS A 14 -22.970 15.606 -11.471 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.958 18.231 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.884 16.636 -11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.559 17.707 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.485 19.018 -12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.101 19.560 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.557 18.522 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.700 17.308 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.841 20.263 -14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.162 19.016 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -25.214 18.819 -16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.618 18.025 -14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.912 19.690 -14.844 1.00 0.00 H new ATOM 221 N THR A 15 -23.759 17.503 -7.919 1.00 0.00 N ATOM 222 CA THR A 15 -24.151 17.077 -6.582 1.00 0.00 C ATOM 223 C THR A 15 -25.630 17.350 -6.330 1.00 0.00 C ATOM 224 O THR A 15 -26.343 17.828 -7.213 1.00 0.00 O ATOM 225 CB THR A 15 -23.318 17.788 -5.499 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.533 19.202 -5.564 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.837 17.486 -5.671 1.00 0.00 C ATOM 0 H THR A 15 -23.357 18.440 -7.962 1.00 0.00 H new ATOM 0 HA THR A 15 -23.967 16.004 -6.525 1.00 0.00 H new ATOM 0 HB THR A 15 -23.637 17.418 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.128 19.557 -6.382 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.269 17.999 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.673 16.411 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.507 17.831 -6.651 1.00 0.00 H new ATOM 235 N LEU A 16 -26.085 17.044 -5.120 1.00 0.00 N ATOM 236 CA LEU A 16 -27.480 17.257 -4.751 1.00 0.00 C ATOM 237 C LEU A 16 -27.757 18.736 -4.500 1.00 0.00 C ATOM 238 O LEU A 16 -28.899 19.189 -4.586 1.00 0.00 O ATOM 239 CB LEU A 16 -27.829 16.443 -3.504 1.00 0.00 C ATOM 240 CG LEU A 16 -28.430 15.059 -3.753 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.437 14.242 -2.470 1.00 0.00 C ATOM 242 CD2 LEU A 16 -29.839 15.183 -4.315 1.00 0.00 C ATOM 0 H LEU A 16 -25.508 16.648 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.104 16.925 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -26.924 16.322 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -28.532 17.020 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 16 -27.811 14.542 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.868 13.260 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.416 14.124 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -29.032 14.755 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -30.251 14.189 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -30.468 15.719 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -29.808 15.730 -5.257 1.00 0.00 H new ATOM 254 N THR A 17 -26.704 19.486 -4.191 1.00 0.00 N ATOM 255 CA THR A 17 -26.833 20.914 -3.929 1.00 0.00 C ATOM 256 C THR A 17 -26.550 21.731 -5.184 1.00 0.00 C ATOM 257 O THR A 17 -26.069 22.861 -5.106 1.00 0.00 O ATOM 258 CB THR A 17 -25.878 21.368 -2.808 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.176 22.716 -2.428 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.429 21.272 -3.261 1.00 0.00 C ATOM 0 H THR A 17 -25.752 19.128 -4.116 1.00 0.00 H new ATOM 0 HA THR A 17 -27.862 21.085 -3.612 1.00 0.00 H new ATOM 0 HB THR A 17 -26.019 20.710 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.217 23.280 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.773 21.597 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.197 20.240 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.277 21.910 -4.132 1.00 0.00 H new ATOM 268 N GLY A 18 -26.854 21.153 -6.342 1.00 0.00 N ATOM 269 CA GLY A 18 -26.626 21.843 -7.598 1.00 0.00 C ATOM 270 C GLY A 18 -25.210 22.369 -7.722 1.00 0.00 C ATOM 271 O GLY A 18 -24.965 23.361 -8.410 1.00 0.00 O ATOM 0 H GLY A 18 -27.254 20.219 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.831 21.163 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.327 22.673 -7.686 1.00 0.00 H new ATOM 275 N LYS A 19 -24.273 21.705 -7.053 1.00 0.00 N ATOM 276 CA LYS A 19 -22.873 22.111 -7.090 1.00 0.00 C ATOM 277 C LYS A 19 -22.052 21.156 -7.951 1.00 0.00 C ATOM 278 O LYS A 19 -22.125 19.938 -7.788 1.00 0.00 O ATOM 279 CB LYS A 19 -22.297 22.159 -5.673 1.00 0.00 C ATOM 280 CG LYS A 19 -20.805 22.437 -5.632 1.00 0.00 C ATOM 281 CD LYS A 19 -19.997 21.150 -5.628 1.00 0.00 C ATOM 282 CE LYS A 19 -19.619 20.733 -4.215 1.00 0.00 C ATOM 283 NZ LYS A 19 -20.803 20.278 -3.436 1.00 0.00 N ATOM 0 H LYS A 19 -24.458 20.883 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.821 23.106 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.817 22.930 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.495 21.209 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.523 23.042 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.567 23.020 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.574 20.355 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.093 21.285 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.882 19.931 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.148 21.572 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.510 19.554 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.218 21.087 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.510 19.875 -4.083 1.00 0.00 H new ATOM 297 N THR A 20 -21.270 21.718 -8.868 1.00 0.00 N ATOM 298 CA THR A 20 -20.436 20.917 -9.754 1.00 0.00 C ATOM 299 C THR A 20 -19.021 20.779 -9.202 1.00 0.00 C ATOM 300 O THR A 20 -18.300 21.767 -9.063 1.00 0.00 O ATOM 301 CB THR A 20 -20.366 21.529 -11.166 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.596 22.196 -11.472 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.093 20.455 -12.209 1.00 0.00 C ATOM 0 H THR A 20 -21.197 22.725 -9.016 1.00 0.00 H new ATOM 0 HA THR A 20 -20.897 19.931 -9.816 1.00 0.00 H new ATOM 0 HB THR A 20 -19.548 22.249 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.543 22.584 -12.370 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.048 20.911 -13.198 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.142 19.969 -11.990 1.00 0.00 H new ATOM 0 HG23 THR A 20 -20.893 19.715 -12.187 1.00 0.00 H new ATOM 311 N ILE A 21 -18.630 19.548 -8.890 1.00 0.00 N ATOM 312 CA ILE A 21 -17.301 19.282 -8.355 1.00 0.00 C ATOM 313 C ILE A 21 -16.432 18.557 -9.377 1.00 0.00 C ATOM 314 O ILE A 21 -16.873 17.603 -10.019 1.00 0.00 O ATOM 315 CB ILE A 21 -17.371 18.439 -7.067 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.962 18.107 -6.572 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.167 17.166 -7.310 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.461 16.757 -7.035 1.00 0.00 C ATOM 0 H ILE A 21 -19.215 18.719 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.855 20.249 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.879 19.020 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.274 18.879 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.953 18.135 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.207 16.581 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.179 17.424 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.685 16.579 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.457 16.589 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.127 15.976 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.438 16.732 -8.124 1.00 0.00 H new ATOM 330 N THR A 22 -15.192 19.015 -9.522 1.00 0.00 N ATOM 331 CA THR A 22 -14.260 18.410 -10.465 1.00 0.00 C ATOM 332 C THR A 22 -13.595 17.176 -9.866 1.00 0.00 C ATOM 333 O THR A 22 -13.081 17.216 -8.748 1.00 0.00 O ATOM 334 CB THR A 22 -13.168 19.409 -10.894 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.664 20.749 -10.795 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.715 19.135 -12.320 1.00 0.00 C ATOM 0 H THR A 22 -14.810 19.803 -8.998 1.00 0.00 H new ATOM 0 HA THR A 22 -14.841 18.118 -11.340 1.00 0.00 H new ATOM 0 HB THR A 22 -12.313 19.288 -10.228 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.964 21.378 -11.068 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.944 19.852 -12.601 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.312 18.124 -12.386 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.564 19.231 -12.996 1.00 0.00 H new ATOM 344 N LEU A 23 -13.609 16.080 -10.617 1.00 0.00 N ATOM 345 CA LEU A 23 -13.006 14.832 -10.161 1.00 0.00 C ATOM 346 C LEU A 23 -12.167 14.197 -11.265 1.00 0.00 C ATOM 347 O LEU A 23 -12.573 14.165 -12.425 1.00 0.00 O ATOM 348 CB LEU A 23 -14.091 13.856 -9.704 1.00 0.00 C ATOM 349 CG LEU A 23 -13.725 12.946 -8.531 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.353 13.772 -7.310 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.874 12.002 -8.209 1.00 0.00 C ATOM 0 H LEU A 23 -14.031 16.030 -11.544 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.352 15.059 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.976 14.430 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.368 13.229 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.860 12.348 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.096 13.107 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.498 14.405 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.199 14.397 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.595 11.362 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.758 12.582 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.093 11.385 -9.080 1.00 0.00 H new ATOM 363 N GLU A 24 -10.995 13.691 -10.893 1.00 0.00 N ATOM 364 CA GLU A 24 -10.100 13.055 -11.853 1.00 0.00 C ATOM 365 C GLU A 24 -10.096 11.540 -11.673 1.00 0.00 C ATOM 366 O GLU A 24 -9.983 11.036 -10.555 1.00 0.00 O ATOM 367 CB GLU A 24 -8.679 13.601 -11.697 1.00 0.00 C ATOM 368 CG GLU A 24 -7.952 13.068 -10.474 1.00 0.00 C ATOM 369 CD GLU A 24 -7.052 14.105 -9.831 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.025 14.462 -10.445 1.00 0.00 O ATOM 371 OE2 GLU A 24 -7.376 14.561 -8.714 1.00 0.00 O ATOM 0 H GLU A 24 -10.644 13.709 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.462 13.283 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.103 13.352 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.721 14.689 -11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.683 12.724 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.355 12.202 -10.760 1.00 0.00 H new ATOM 378 N VAL A 25 -10.222 10.818 -12.782 1.00 0.00 N ATOM 379 CA VAL A 25 -10.234 9.360 -12.748 1.00 0.00 C ATOM 380 C VAL A 25 -9.556 8.777 -13.982 1.00 0.00 C ATOM 381 O VAL A 25 -9.652 9.332 -15.076 1.00 0.00 O ATOM 382 CB VAL A 25 -11.670 8.812 -12.657 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.521 9.354 -13.796 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.661 7.291 -12.664 1.00 0.00 C ATOM 0 H VAL A 25 -10.317 11.219 -13.715 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.682 9.059 -11.857 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.109 9.145 -11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.533 8.956 -13.716 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.554 10.442 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.087 9.053 -14.750 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.684 6.921 -12.599 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.204 6.934 -13.587 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.089 6.927 -11.811 1.00 0.00 H new ATOM 394 N GLU A 26 -8.869 7.653 -13.798 1.00 0.00 N ATOM 395 CA GLU A 26 -8.175 6.994 -14.898 1.00 0.00 C ATOM 396 C GLU A 26 -9.167 6.328 -15.847 1.00 0.00 C ATOM 397 O GLU A 26 -10.272 5.946 -15.462 1.00 0.00 O ATOM 398 CB GLU A 26 -7.191 5.953 -14.358 1.00 0.00 C ATOM 399 CG GLU A 26 -6.365 6.448 -13.183 1.00 0.00 C ATOM 400 CD GLU A 26 -5.393 5.402 -12.672 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.600 4.206 -12.963 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.425 5.781 -11.980 1.00 0.00 O ATOM 0 H GLU A 26 -8.779 7.181 -12.898 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.623 7.753 -15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.745 5.065 -14.053 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.519 5.649 -15.161 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.811 7.338 -13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.032 6.745 -12.374 1.00 0.00 H new ATOM 409 N PRO A 27 -8.764 6.186 -17.118 1.00 0.00 N ATOM 410 CA PRO A 27 -9.602 5.567 -18.150 1.00 0.00 C ATOM 411 C PRO A 27 -9.774 4.067 -17.933 1.00 0.00 C ATOM 412 O PRO A 27 -10.713 3.460 -18.448 1.00 0.00 O ATOM 413 CB PRO A 27 -8.829 5.836 -19.443 1.00 0.00 C ATOM 414 CG PRO A 27 -7.411 5.990 -19.012 1.00 0.00 C ATOM 415 CD PRO A 27 -7.459 6.619 -17.647 1.00 0.00 C ATOM 0 HA PRO A 27 -10.614 5.972 -18.151 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.941 5.013 -20.149 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.191 6.735 -19.941 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.906 5.025 -18.979 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.856 6.616 -19.711 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.637 6.277 -17.018 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.388 7.705 -17.702 1.00 0.00 H new ATOM 423 N SER A 28 -8.862 3.476 -17.169 1.00 0.00 N ATOM 424 CA SER A 28 -8.911 2.046 -16.887 1.00 0.00 C ATOM 425 C SER A 28 -9.498 1.785 -15.503 1.00 0.00 C ATOM 426 O SER A 28 -9.866 0.656 -15.176 1.00 0.00 O ATOM 427 CB SER A 28 -7.510 1.437 -16.983 1.00 0.00 C ATOM 428 OG SER A 28 -6.544 2.286 -16.388 1.00 0.00 O ATOM 0 H SER A 28 -8.080 3.965 -16.734 1.00 0.00 H new ATOM 0 HA SER A 28 -9.555 1.576 -17.630 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.498 0.465 -16.490 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.255 1.267 -18.029 1.00 0.00 H new ATOM 0 HG SER A 28 -5.658 1.874 -16.461 1.00 0.00 H new ATOM 434 N ASP A 29 -9.582 2.836 -14.696 1.00 0.00 N ATOM 435 CA ASP A 29 -10.125 2.722 -13.347 1.00 0.00 C ATOM 436 C ASP A 29 -11.612 2.382 -13.387 1.00 0.00 C ATOM 437 O ASP A 29 -12.263 2.514 -14.424 1.00 0.00 O ATOM 438 CB ASP A 29 -9.908 4.024 -12.575 1.00 0.00 C ATOM 439 CG ASP A 29 -8.569 4.058 -11.864 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.780 3.106 -12.039 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.310 5.037 -11.132 1.00 0.00 O ATOM 0 H ASP A 29 -9.281 3.777 -14.952 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.599 1.915 -12.837 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.972 4.867 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.707 4.148 -11.845 1.00 0.00 H new ATOM 446 N THR A 30 -12.144 1.943 -12.250 1.00 0.00 N ATOM 447 CA THR A 30 -13.553 1.582 -12.155 1.00 0.00 C ATOM 448 C THR A 30 -14.304 2.535 -11.233 1.00 0.00 C ATOM 449 O THR A 30 -13.700 3.388 -10.582 1.00 0.00 O ATOM 450 CB THR A 30 -13.731 0.141 -11.641 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.837 -0.102 -10.548 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.469 -0.866 -12.750 1.00 0.00 C ATOM 0 H THR A 30 -11.620 1.829 -11.382 1.00 0.00 H new ATOM 0 HA THR A 30 -13.966 1.654 -13.161 1.00 0.00 H new ATOM 0 HB THR A 30 -14.760 0.024 -11.302 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.466 -1.006 -10.623 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.601 -1.876 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.169 -0.697 -13.568 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.449 -0.748 -13.115 1.00 0.00 H new ATOM 460 N ILE A 31 -15.623 2.384 -11.180 1.00 0.00 N ATOM 461 CA ILE A 31 -16.455 3.231 -10.335 1.00 0.00 C ATOM 462 C ILE A 31 -15.933 3.261 -8.903 1.00 0.00 C ATOM 463 O ILE A 31 -15.872 4.318 -8.276 1.00 0.00 O ATOM 464 CB ILE A 31 -17.919 2.752 -10.326 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.458 2.661 -11.755 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.778 3.689 -9.489 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.382 3.968 -12.514 1.00 0.00 C ATOM 0 H ILE A 31 -16.138 1.683 -11.712 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.412 4.236 -10.756 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.958 1.758 -9.879 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.897 1.901 -12.299 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.496 2.329 -11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.810 3.337 -9.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.404 3.708 -8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.736 4.694 -9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.781 3.829 -13.519 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.967 4.726 -11.993 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.343 4.292 -12.578 1.00 0.00 H new ATOM 479 N GLU A 32 -15.556 2.093 -8.391 1.00 0.00 N ATOM 480 CA GLU A 32 -15.038 1.986 -7.033 1.00 0.00 C ATOM 481 C GLU A 32 -13.905 2.982 -6.803 1.00 0.00 C ATOM 482 O GLU A 32 -13.735 3.502 -5.701 1.00 0.00 O ATOM 483 CB GLU A 32 -14.544 0.564 -6.762 1.00 0.00 C ATOM 484 CG GLU A 32 -13.372 0.150 -7.635 1.00 0.00 C ATOM 485 CD GLU A 32 -13.467 -1.292 -8.095 1.00 0.00 C ATOM 486 OE1 GLU A 32 -14.379 -1.602 -8.890 1.00 0.00 O ATOM 487 OE2 GLU A 32 -12.631 -2.111 -7.659 1.00 0.00 O ATOM 0 H GLU A 32 -15.600 1.208 -8.897 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.849 2.219 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.252 0.483 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.367 -0.133 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.325 0.803 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.444 0.290 -7.081 1.00 0.00 H new ATOM 494 N ASN A 33 -13.131 3.242 -7.852 1.00 0.00 N ATOM 495 CA ASN A 33 -12.013 4.174 -7.765 1.00 0.00 C ATOM 496 C ASN A 33 -12.505 5.618 -7.799 1.00 0.00 C ATOM 497 O ASN A 33 -11.906 6.503 -7.188 1.00 0.00 O ATOM 498 CB ASN A 33 -11.030 3.932 -8.912 1.00 0.00 C ATOM 499 CG ASN A 33 -9.810 3.147 -8.472 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.927 2.044 -7.937 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.629 3.713 -8.695 1.00 0.00 N ATOM 0 H ASN A 33 -13.258 2.820 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.504 4.004 -6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.536 3.393 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.713 4.890 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.773 3.232 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.578 4.629 -9.141 1.00 0.00 H new ATOM 508 N VAL A 34 -13.600 5.848 -8.516 1.00 0.00 N ATOM 509 CA VAL A 34 -14.174 7.184 -8.628 1.00 0.00 C ATOM 510 C VAL A 34 -14.672 7.683 -7.276 1.00 0.00 C ATOM 511 O VAL A 34 -14.282 8.756 -6.815 1.00 0.00 O ATOM 512 CB VAL A 34 -15.340 7.211 -9.634 1.00 0.00 C ATOM 513 CG1 VAL A 34 -15.950 8.603 -9.707 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.869 6.754 -11.006 1.00 0.00 C ATOM 0 H VAL A 34 -14.108 5.127 -9.028 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.381 7.841 -8.985 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.110 6.521 -9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.772 8.603 -10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.325 8.888 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.191 9.317 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.705 6.779 -11.705 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.080 7.418 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.483 5.737 -10.938 1.00 0.00 H new ATOM 524 N LYS A 35 -15.537 6.897 -6.643 1.00 0.00 N ATOM 525 CA LYS A 35 -16.088 7.256 -5.343 1.00 0.00 C ATOM 526 C LYS A 35 -14.975 7.556 -4.343 1.00 0.00 C ATOM 527 O LYS A 35 -15.165 8.324 -3.401 1.00 0.00 O ATOM 528 CB LYS A 35 -16.975 6.127 -4.812 1.00 0.00 C ATOM 529 CG LYS A 35 -16.192 4.942 -4.272 1.00 0.00 C ATOM 530 CD LYS A 35 -16.058 5.005 -2.760 1.00 0.00 C ATOM 531 CE LYS A 35 -14.765 4.358 -2.288 1.00 0.00 C ATOM 532 NZ LYS A 35 -14.435 4.735 -0.886 1.00 0.00 N ATOM 0 H LYS A 35 -15.871 6.006 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.691 8.155 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.615 6.520 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.631 5.784 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.691 4.015 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.201 4.922 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.086 6.045 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.908 4.503 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.854 3.274 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.949 4.656 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.626 4.171 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.192 5.746 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.256 4.552 -0.275 1.00 0.00 H new ATOM 546 N ALA A 36 -13.815 6.945 -4.557 1.00 0.00 N ATOM 547 CA ALA A 36 -12.671 7.149 -3.677 1.00 0.00 C ATOM 548 C ALA A 36 -12.338 8.631 -3.545 1.00 0.00 C ATOM 549 O ALA A 36 -12.028 9.114 -2.456 1.00 0.00 O ATOM 550 CB ALA A 36 -11.464 6.379 -4.193 1.00 0.00 C ATOM 0 H ALA A 36 -13.642 6.305 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.933 6.772 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.617 6.541 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.699 5.315 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.210 6.729 -5.194 1.00 0.00 H new ATOM 556 N LYS A 37 -12.402 9.349 -4.661 1.00 0.00 N ATOM 557 CA LYS A 37 -12.108 10.777 -4.671 1.00 0.00 C ATOM 558 C LYS A 37 -13.267 11.575 -4.084 1.00 0.00 C ATOM 559 O LYS A 37 -13.068 12.644 -3.507 1.00 0.00 O ATOM 560 CB LYS A 37 -11.820 11.250 -6.098 1.00 0.00 C ATOM 561 CG LYS A 37 -10.720 10.462 -6.789 1.00 0.00 C ATOM 562 CD LYS A 37 -9.343 10.887 -6.308 1.00 0.00 C ATOM 563 CE LYS A 37 -8.329 9.762 -6.455 1.00 0.00 C ATOM 564 NZ LYS A 37 -6.930 10.261 -6.359 1.00 0.00 N ATOM 0 H LYS A 37 -12.655 8.965 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.225 10.945 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.734 11.176 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.541 12.303 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.860 9.398 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.790 10.606 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.010 11.755 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.400 11.193 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.502 9.014 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.473 9.267 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.269 9.465 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.757 10.956 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.785 10.711 -5.433 1.00 0.00 H new ATOM 578 N ILE A 38 -14.478 11.049 -4.235 1.00 0.00 N ATOM 579 CA ILE A 38 -15.669 11.712 -3.718 1.00 0.00 C ATOM 580 C ILE A 38 -15.647 11.770 -2.194 1.00 0.00 C ATOM 581 O ILE A 38 -16.194 12.692 -1.591 1.00 0.00 O ATOM 582 CB ILE A 38 -16.954 10.999 -4.175 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.094 11.078 -5.697 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.170 11.609 -3.494 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.292 12.486 -6.213 1.00 0.00 C ATOM 0 H ILE A 38 -14.660 10.166 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.665 12.726 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.890 9.949 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.203 10.653 -6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.939 10.463 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.071 11.094 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.072 11.505 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.240 12.666 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.384 12.466 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.199 12.908 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.436 13.100 -5.932 1.00 0.00 H new ATOM 597 N GLN A 39 -15.011 10.778 -1.579 1.00 0.00 N ATOM 598 CA GLN A 39 -14.917 10.717 -0.125 1.00 0.00 C ATOM 599 C GLN A 39 -14.293 11.991 0.434 1.00 0.00 C ATOM 600 O GLN A 39 -14.584 12.394 1.561 1.00 0.00 O ATOM 601 CB GLN A 39 -14.094 9.501 0.303 1.00 0.00 C ATOM 602 CG GLN A 39 -14.922 8.239 0.487 1.00 0.00 C ATOM 603 CD GLN A 39 -14.254 7.231 1.400 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.028 7.130 1.442 1.00 0.00 O ATOM 605 NE2 GLN A 39 -15.060 6.477 2.140 1.00 0.00 N ATOM 0 H GLN A 39 -14.554 10.006 -2.064 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.926 10.623 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.323 9.314 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.583 9.730 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.896 8.505 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.100 7.781 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.071 6.594 2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.668 5.781 2.774 1.00 0.00 H new ATOM 614 N ASP A 40 -13.434 12.621 -0.359 1.00 0.00 N ATOM 615 CA ASP A 40 -12.769 13.851 0.057 1.00 0.00 C ATOM 616 C ASP A 40 -13.714 15.044 -0.055 1.00 0.00 C ATOM 617 O ASP A 40 -13.510 16.073 0.588 1.00 0.00 O ATOM 618 CB ASP A 40 -11.520 14.092 -0.792 1.00 0.00 C ATOM 619 CG ASP A 40 -10.622 15.165 -0.208 1.00 0.00 C ATOM 620 OD1 ASP A 40 -9.894 14.866 0.762 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.646 16.302 -0.722 1.00 0.00 O ATOM 0 H ASP A 40 -13.181 12.301 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.474 13.741 1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.959 13.162 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.819 14.381 -1.799 1.00 0.00 H new ATOM 626 N LYS A 41 -14.747 14.898 -0.877 1.00 0.00 N ATOM 627 CA LYS A 41 -15.724 15.963 -1.074 1.00 0.00 C ATOM 628 C LYS A 41 -16.906 15.800 -0.124 1.00 0.00 C ATOM 629 O LYS A 41 -17.318 16.753 0.536 1.00 0.00 O ATOM 630 CB LYS A 41 -16.218 15.968 -2.523 1.00 0.00 C ATOM 631 CG LYS A 41 -15.109 15.783 -3.544 1.00 0.00 C ATOM 632 CD LYS A 41 -14.136 16.950 -3.529 1.00 0.00 C ATOM 633 CE LYS A 41 -12.709 16.489 -3.783 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.712 17.511 -3.359 1.00 0.00 N ATOM 0 H LYS A 41 -14.930 14.053 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.236 16.914 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.954 15.174 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.729 16.910 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.572 14.858 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.542 15.682 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.426 17.676 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.190 17.457 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.527 15.559 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.580 16.274 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.977 17.603 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.187 18.427 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.274 17.218 -2.462 1.00 0.00 H new ATOM 648 N GLU A 42 -17.444 14.586 -0.059 1.00 0.00 N ATOM 649 CA GLU A 42 -18.578 14.300 0.812 1.00 0.00 C ATOM 650 C GLU A 42 -18.179 13.337 1.926 1.00 0.00 C ATOM 651 O GLU A 42 -18.651 13.448 3.057 1.00 0.00 O ATOM 652 CB GLU A 42 -19.735 13.710 0.003 1.00 0.00 C ATOM 653 CG GLU A 42 -20.525 14.748 -0.776 1.00 0.00 C ATOM 654 CD GLU A 42 -21.124 15.817 0.118 1.00 0.00 C ATOM 655 OE1 GLU A 42 -22.152 15.537 0.769 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.565 16.933 0.166 1.00 0.00 O ATOM 0 H GLU A 42 -17.113 13.786 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.901 15.238 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.340 12.969 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.409 13.185 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.873 15.219 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.323 14.252 -1.328 1.00 0.00 H new ATOM 663 N GLY A 43 -17.306 12.389 1.597 1.00 0.00 N ATOM 664 CA GLY A 43 -16.858 11.419 2.579 1.00 0.00 C ATOM 665 C GLY A 43 -17.963 10.473 3.005 1.00 0.00 C ATOM 666 O GLY A 43 -18.309 10.404 4.185 1.00 0.00 O ATOM 0 H GLY A 43 -16.901 12.276 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.030 10.843 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.475 11.943 3.455 1.00 0.00 H new ATOM 670 N ILE A 44 -18.518 9.744 2.043 1.00 0.00 N ATOM 671 CA ILE A 44 -19.591 8.798 2.326 1.00 0.00 C ATOM 672 C ILE A 44 -19.238 7.402 1.824 1.00 0.00 C ATOM 673 O ILE A 44 -18.484 7.231 0.866 1.00 0.00 O ATOM 674 CB ILE A 44 -20.918 9.242 1.683 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.698 9.616 0.215 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.512 10.414 2.450 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.960 10.064 -0.489 1.00 0.00 C ATOM 0 H ILE A 44 -18.243 9.790 1.062 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.713 8.773 3.409 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.622 8.411 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.957 10.414 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.283 8.757 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.450 10.716 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.700 10.116 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.813 11.250 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.730 10.313 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.696 9.260 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.365 10.942 0.014 1.00 0.00 H new ATOM 689 N PRO A 45 -19.797 6.377 2.485 1.00 0.00 N ATOM 690 CA PRO A 45 -19.559 4.977 2.122 1.00 0.00 C ATOM 691 C PRO A 45 -20.209 4.603 0.794 1.00 0.00 C ATOM 692 O PRO A 45 -21.087 5.301 0.287 1.00 0.00 O ATOM 693 CB PRO A 45 -20.204 4.198 3.271 1.00 0.00 C ATOM 694 CG PRO A 45 -21.247 5.114 3.811 1.00 0.00 C ATOM 695 CD PRO A 45 -20.706 6.506 3.636 1.00 0.00 C ATOM 0 HA PRO A 45 -18.498 4.766 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.641 3.264 2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.471 3.939 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.189 4.991 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.447 4.902 4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.502 7.225 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.180 6.847 4.527 1.00 0.00 H new ATOM 703 N PRO A 46 -19.769 3.475 0.216 1.00 0.00 N ATOM 704 CA PRO A 46 -20.296 2.983 -1.060 1.00 0.00 C ATOM 705 C PRO A 46 -21.729 2.478 -0.940 1.00 0.00 C ATOM 706 O PRO A 46 -22.526 2.614 -1.869 1.00 0.00 O ATOM 707 CB PRO A 46 -19.351 1.831 -1.413 1.00 0.00 C ATOM 708 CG PRO A 46 -18.811 1.369 -0.104 1.00 0.00 C ATOM 709 CD PRO A 46 -18.724 2.594 0.764 1.00 0.00 C ATOM 0 HA PRO A 46 -20.334 3.768 -1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.880 1.029 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.552 2.163 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.463 0.619 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.831 0.908 -0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -18.907 2.358 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.739 3.057 0.709 1.00 0.00 H new ATOM 717 N ASP A 47 -22.052 1.896 0.210 1.00 0.00 N ATOM 718 CA ASP A 47 -23.391 1.372 0.453 1.00 0.00 C ATOM 719 C ASP A 47 -24.423 2.495 0.451 1.00 0.00 C ATOM 720 O ASP A 47 -25.610 2.259 0.232 1.00 0.00 O ATOM 721 CB ASP A 47 -23.435 0.624 1.786 1.00 0.00 C ATOM 722 CG ASP A 47 -22.778 1.403 2.909 1.00 0.00 C ATOM 723 OD1 ASP A 47 -23.180 2.562 3.141 1.00 0.00 O ATOM 724 OD2 ASP A 47 -21.863 0.852 3.555 1.00 0.00 O ATOM 0 H ASP A 47 -21.404 1.775 0.989 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.634 0.678 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -24.472 0.418 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.936 -0.339 1.676 1.00 0.00 H new ATOM 729 N GLN A 48 -23.960 3.717 0.697 1.00 0.00 N ATOM 730 CA GLN A 48 -24.844 4.876 0.726 1.00 0.00 C ATOM 731 C GLN A 48 -24.647 5.741 -0.514 1.00 0.00 C ATOM 732 O GLN A 48 -25.552 6.467 -0.925 1.00 0.00 O ATOM 733 CB GLN A 48 -24.592 5.705 1.986 1.00 0.00 C ATOM 734 CG GLN A 48 -25.098 5.046 3.259 1.00 0.00 C ATOM 735 CD GLN A 48 -24.298 5.450 4.483 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.014 6.630 4.692 1.00 0.00 O ATOM 737 NE2 GLN A 48 -23.930 4.469 5.299 1.00 0.00 N ATOM 0 H GLN A 48 -22.979 3.929 0.879 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.873 4.517 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.522 5.888 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.073 6.677 1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.144 5.311 3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.057 3.963 3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.188 3.505 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.390 4.679 6.138 1.00 0.00 H new ATOM 746 N GLN A 49 -23.459 5.659 -1.105 1.00 0.00 N ATOM 747 CA GLN A 49 -23.144 6.435 -2.298 1.00 0.00 C ATOM 748 C GLN A 49 -23.439 5.635 -3.562 1.00 0.00 C ATOM 749 O GLN A 49 -23.290 4.413 -3.584 1.00 0.00 O ATOM 750 CB GLN A 49 -21.675 6.862 -2.281 1.00 0.00 C ATOM 751 CG GLN A 49 -21.414 8.171 -3.008 1.00 0.00 C ATOM 752 CD GLN A 49 -20.975 7.963 -4.444 1.00 0.00 C ATOM 753 OE1 GLN A 49 -21.793 7.981 -5.365 1.00 0.00 O ATOM 754 NE2 GLN A 49 -19.677 7.765 -4.644 1.00 0.00 N ATOM 0 H GLN A 49 -22.699 5.063 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.774 7.325 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.345 6.958 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -21.072 6.077 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -22.320 8.777 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.646 8.732 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.034 7.758 -3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.323 7.620 -5.590 1.00 0.00 H new ATOM 763 N ARG A 50 -23.858 6.332 -4.614 1.00 0.00 N ATOM 764 CA ARG A 50 -24.175 5.685 -5.881 1.00 0.00 C ATOM 765 C ARG A 50 -24.122 6.687 -7.031 1.00 0.00 C ATOM 766 O ARG A 50 -24.752 7.745 -6.977 1.00 0.00 O ATOM 767 CB ARG A 50 -25.561 5.041 -5.817 1.00 0.00 C ATOM 768 CG ARG A 50 -25.546 3.616 -5.288 1.00 0.00 C ATOM 769 CD ARG A 50 -26.696 2.799 -5.856 1.00 0.00 C ATOM 770 NE ARG A 50 -27.994 3.394 -5.549 1.00 0.00 N ATOM 771 CZ ARG A 50 -29.126 3.034 -6.143 1.00 0.00 C ATOM 772 NH1 ARG A 50 -29.120 2.087 -7.070 1.00 0.00 N ATOM 773 NH2 ARG A 50 -30.268 3.623 -5.809 1.00 0.00 N ATOM 0 H ARG A 50 -23.986 7.344 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.430 4.910 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.206 5.649 -5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.001 5.045 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -24.599 3.141 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -25.611 3.630 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -26.582 2.715 -6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -26.656 1.787 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 50 -28.033 4.126 -4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -28.244 1.632 -7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -29.991 1.813 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -30.276 4.352 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -31.137 3.346 -6.265 1.00 0.00 H new ATOM 787 N LEU A 51 -23.366 6.349 -8.069 1.00 0.00 N ATOM 788 CA LEU A 51 -23.229 7.219 -9.232 1.00 0.00 C ATOM 789 C LEU A 51 -24.222 6.829 -10.323 1.00 0.00 C ATOM 790 O LEU A 51 -24.468 5.646 -10.558 1.00 0.00 O ATOM 791 CB LEU A 51 -21.802 7.152 -9.779 1.00 0.00 C ATOM 792 CG LEU A 51 -20.698 7.623 -8.831 1.00 0.00 C ATOM 793 CD1 LEU A 51 -21.100 8.920 -8.146 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.385 6.548 -7.801 1.00 0.00 C ATOM 0 H LEU A 51 -22.838 5.478 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.444 8.240 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.592 6.122 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.754 7.752 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.798 7.810 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.302 9.240 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.273 9.690 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.014 8.761 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.597 6.900 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.281 6.329 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.052 5.643 -8.309 1.00 0.00 H new ATOM 806 N ILE A 52 -24.787 7.832 -10.987 1.00 0.00 N ATOM 807 CA ILE A 52 -25.750 7.594 -12.055 1.00 0.00 C ATOM 808 C ILE A 52 -25.216 8.086 -13.396 1.00 0.00 C ATOM 809 O ILE A 52 -24.670 9.185 -13.494 1.00 0.00 O ATOM 810 CB ILE A 52 -27.095 8.287 -11.765 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.507 8.059 -10.309 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.169 7.775 -12.712 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.588 6.598 -9.925 1.00 0.00 C ATOM 0 H ILE A 52 -24.594 8.817 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.909 6.517 -12.103 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.978 9.359 -11.926 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.792 8.559 -9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.477 8.526 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.113 8.274 -12.495 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.876 7.984 -13.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.288 6.700 -12.580 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.885 6.512 -8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.324 6.097 -10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.613 6.131 -10.064 1.00 0.00 H new ATOM 825 N PHE A 53 -25.379 7.265 -14.428 1.00 0.00 N ATOM 826 CA PHE A 53 -24.915 7.616 -15.765 1.00 0.00 C ATOM 827 C PHE A 53 -25.901 7.138 -16.827 1.00 0.00 C ATOM 828 O PHE A 53 -26.231 5.954 -16.893 1.00 0.00 O ATOM 829 CB PHE A 53 -23.534 7.010 -16.024 1.00 0.00 C ATOM 830 CG PHE A 53 -22.782 7.685 -17.135 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.438 9.024 -17.043 1.00 0.00 C ATOM 832 CD2 PHE A 53 -22.417 6.980 -18.271 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.746 9.648 -18.064 1.00 0.00 C ATOM 834 CE2 PHE A 53 -21.725 7.598 -19.295 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.389 8.934 -19.191 1.00 0.00 C ATOM 0 H PHE A 53 -25.829 6.352 -14.364 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.844 8.702 -15.824 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.944 7.067 -15.109 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -23.649 5.953 -16.264 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.714 9.587 -16.163 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -22.677 5.935 -18.357 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.485 10.693 -17.981 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -21.447 7.037 -20.175 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.848 9.419 -19.990 1.00 0.00 H new ATOM 845 N ALA A 54 -26.367 8.067 -17.655 1.00 0.00 N ATOM 846 CA ALA A 54 -27.313 7.740 -18.714 1.00 0.00 C ATOM 847 C ALA A 54 -28.619 7.204 -18.137 1.00 0.00 C ATOM 848 O ALA A 54 -29.282 6.367 -18.750 1.00 0.00 O ATOM 849 CB ALA A 54 -26.703 6.730 -19.674 1.00 0.00 C ATOM 0 H ALA A 54 -26.105 9.052 -17.613 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.537 8.655 -19.262 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.421 6.495 -20.460 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -25.802 7.150 -20.120 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.449 5.820 -19.131 1.00 0.00 H new ATOM 855 N GLY A 55 -28.983 7.690 -16.955 1.00 0.00 N ATOM 856 CA GLY A 55 -30.208 7.247 -16.315 1.00 0.00 C ATOM 857 C GLY A 55 -30.078 5.864 -15.709 1.00 0.00 C ATOM 858 O GLY A 55 -31.078 5.224 -15.383 1.00 0.00 O ATOM 0 H GLY A 55 -28.451 8.383 -16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.485 7.957 -15.536 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.016 7.245 -17.046 1.00 0.00 H new ATOM 862 N LYS A 56 -28.842 5.400 -15.558 1.00 0.00 N ATOM 863 CA LYS A 56 -28.583 4.083 -14.988 1.00 0.00 C ATOM 864 C LYS A 56 -27.685 4.189 -13.760 1.00 0.00 C ATOM 865 O LYS A 56 -26.885 5.116 -13.644 1.00 0.00 O ATOM 866 CB LYS A 56 -27.933 3.171 -16.031 1.00 0.00 C ATOM 867 CG LYS A 56 -27.870 1.713 -15.610 1.00 0.00 C ATOM 868 CD LYS A 56 -27.631 0.799 -16.800 1.00 0.00 C ATOM 869 CE LYS A 56 -28.099 -0.620 -16.516 1.00 0.00 C ATOM 870 NZ LYS A 56 -27.482 -1.604 -17.447 1.00 0.00 N ATOM 0 H LYS A 56 -28.003 5.917 -15.823 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.537 3.653 -14.683 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.490 3.247 -16.965 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.922 3.526 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.072 1.578 -14.880 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -28.802 1.435 -15.118 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.157 1.189 -17.671 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -26.569 0.791 -17.046 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -27.849 -0.886 -15.489 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -29.184 -0.669 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -27.826 -2.559 -17.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -27.741 -1.365 -18.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -26.447 -1.576 -17.346 1.00 0.00 H new ATOM 884 N GLN A 57 -27.824 3.233 -12.847 1.00 0.00 N ATOM 885 CA GLN A 57 -27.024 3.220 -11.628 1.00 0.00 C ATOM 886 C GLN A 57 -25.722 2.454 -11.839 1.00 0.00 C ATOM 887 O GLN A 57 -25.734 1.256 -12.128 1.00 0.00 O ATOM 888 CB GLN A 57 -27.817 2.594 -10.479 1.00 0.00 C ATOM 889 CG GLN A 57 -28.323 1.193 -10.781 1.00 0.00 C ATOM 890 CD GLN A 57 -29.794 1.022 -10.459 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.160 0.278 -9.549 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.648 1.713 -11.205 1.00 0.00 N ATOM 0 H GLN A 57 -28.482 2.458 -12.928 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.780 4.251 -11.373 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.187 2.560 -9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.666 3.235 -10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.157 0.970 -11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.743 0.470 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -30.301 2.318 -11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.651 1.639 -11.034 1.00 0.00 H new ATOM 901 N LEU A 58 -24.601 3.151 -11.693 1.00 0.00 N ATOM 902 CA LEU A 58 -23.289 2.536 -11.868 1.00 0.00 C ATOM 903 C LEU A 58 -22.914 1.697 -10.651 1.00 0.00 C ATOM 904 O LEU A 58 -23.543 1.799 -9.598 1.00 0.00 O ATOM 905 CB LEU A 58 -22.228 3.612 -12.107 1.00 0.00 C ATOM 906 CG LEU A 58 -22.600 4.712 -13.101 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.642 5.887 -12.980 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.603 4.169 -14.523 1.00 0.00 C ATOM 0 H LEU A 58 -24.574 4.142 -11.454 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.335 1.880 -12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.991 4.079 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.318 3.125 -12.458 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.605 5.062 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.922 6.660 -13.695 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.690 6.293 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.626 5.551 -13.188 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.870 4.966 -15.216 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.611 3.790 -14.770 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.330 3.361 -14.602 1.00 0.00 H new ATOM 920 N GLU A 59 -21.885 0.870 -10.803 1.00 0.00 N ATOM 921 CA GLU A 59 -21.426 0.015 -9.715 1.00 0.00 C ATOM 922 C GLU A 59 -19.974 -0.404 -9.927 1.00 0.00 C ATOM 923 O GLU A 59 -19.339 -0.008 -10.906 1.00 0.00 O ATOM 924 CB GLU A 59 -22.314 -1.226 -9.602 1.00 0.00 C ATOM 925 CG GLU A 59 -22.616 -1.882 -10.939 1.00 0.00 C ATOM 926 CD GLU A 59 -23.013 -3.339 -10.797 1.00 0.00 C ATOM 927 OE1 GLU A 59 -22.383 -4.048 -9.984 1.00 0.00 O ATOM 928 OE2 GLU A 59 -23.952 -3.769 -11.498 1.00 0.00 O ATOM 0 H GLU A 59 -21.354 0.774 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.490 0.585 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.827 -1.953 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.253 -0.948 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.420 -1.337 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.739 -1.809 -11.582 1.00 0.00 H new ATOM 935 N ASP A 60 -19.454 -1.205 -9.004 1.00 0.00 N ATOM 936 CA ASP A 60 -18.077 -1.679 -9.090 1.00 0.00 C ATOM 937 C ASP A 60 -17.975 -2.890 -10.011 1.00 0.00 C ATOM 938 O ASP A 60 -18.316 -4.007 -9.624 1.00 0.00 O ATOM 939 CB ASP A 60 -17.550 -2.034 -7.698 1.00 0.00 C ATOM 940 CG ASP A 60 -18.435 -3.036 -6.983 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.519 -2.638 -6.508 1.00 0.00 O ATOM 942 OD2 ASP A 60 -18.044 -4.219 -6.899 1.00 0.00 O ATOM 0 H ASP A 60 -19.965 -1.540 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.468 -0.877 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.543 -2.441 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.475 -1.127 -7.099 1.00 0.00 H new ATOM 947 N GLY A 61 -17.505 -2.660 -11.233 1.00 0.00 N ATOM 948 CA GLY A 61 -17.368 -3.742 -12.191 1.00 0.00 C ATOM 949 C GLY A 61 -16.686 -3.300 -13.471 1.00 0.00 C ATOM 950 O GLY A 61 -15.615 -3.799 -13.815 1.00 0.00 O ATOM 0 H GLY A 61 -17.217 -1.744 -11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.796 -4.553 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.354 -4.141 -12.428 1.00 0.00 H new ATOM 954 N ARG A 62 -17.309 -2.363 -14.178 1.00 0.00 N ATOM 955 CA ARG A 62 -16.758 -1.857 -15.429 1.00 0.00 C ATOM 956 C ARG A 62 -15.895 -0.622 -15.182 1.00 0.00 C ATOM 957 O ARG A 62 -15.906 -0.051 -14.091 1.00 0.00 O ATOM 958 CB ARG A 62 -17.883 -1.518 -16.407 1.00 0.00 C ATOM 959 CG ARG A 62 -18.235 -2.658 -17.350 1.00 0.00 C ATOM 960 CD ARG A 62 -18.743 -3.872 -16.589 1.00 0.00 C ATOM 961 NE ARG A 62 -19.098 -4.970 -17.485 1.00 0.00 N ATOM 962 CZ ARG A 62 -19.207 -6.234 -17.092 1.00 0.00 C ATOM 963 NH1 ARG A 62 -18.991 -6.558 -15.825 1.00 0.00 N ATOM 964 NH2 ARG A 62 -19.534 -7.176 -17.967 1.00 0.00 N ATOM 0 H ARG A 62 -18.196 -1.939 -13.906 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.132 -2.637 -15.863 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.772 -1.238 -15.842 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.592 -0.648 -16.995 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.995 -2.326 -18.057 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.356 -2.934 -17.933 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.978 -4.208 -15.889 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.614 -3.591 -15.997 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.272 -4.754 -18.467 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.741 -5.836 -15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.075 -7.529 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.702 -6.930 -18.942 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.617 -8.146 -17.664 1.00 0.00 H new ATOM 978 N THR A 63 -15.147 -0.216 -16.203 1.00 0.00 N ATOM 979 CA THR A 63 -14.277 0.949 -16.097 1.00 0.00 C ATOM 980 C THR A 63 -14.958 2.196 -16.650 1.00 0.00 C ATOM 981 O THR A 63 -15.917 2.103 -17.417 1.00 0.00 O ATOM 982 CB THR A 63 -12.949 0.728 -16.845 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.247 1.970 -16.973 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.197 0.136 -18.224 1.00 0.00 C ATOM 0 H THR A 63 -15.126 -0.677 -17.113 1.00 0.00 H new ATOM 0 HA THR A 63 -14.068 1.093 -15.037 1.00 0.00 H new ATOM 0 HB THR A 63 -12.345 0.027 -16.269 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.079 2.344 -16.083 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.245 -0.011 -18.733 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.706 -0.822 -18.122 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.818 0.817 -18.806 1.00 0.00 H new ATOM 992 N LEU A 64 -14.457 3.361 -16.257 1.00 0.00 N ATOM 993 CA LEU A 64 -15.016 4.628 -16.715 1.00 0.00 C ATOM 994 C LEU A 64 -15.064 4.684 -18.238 1.00 0.00 C ATOM 995 O LEU A 64 -15.957 5.301 -18.819 1.00 0.00 O ATOM 996 CB LEU A 64 -14.191 5.798 -16.176 1.00 0.00 C ATOM 997 CG LEU A 64 -14.381 6.127 -14.695 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.857 6.294 -14.370 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.760 5.045 -13.824 1.00 0.00 C ATOM 0 H LEU A 64 -13.664 3.455 -15.622 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.035 4.705 -16.335 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.136 5.582 -16.347 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.433 6.687 -16.759 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.875 7.069 -14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.972 6.528 -13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.272 7.105 -14.968 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.387 5.369 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.905 5.296 -12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.236 4.088 -14.038 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.693 4.975 -14.036 1.00 0.00 H new ATOM 1011 N SER A 65 -14.098 4.034 -18.879 1.00 0.00 N ATOM 1012 CA SER A 65 -14.028 4.011 -20.336 1.00 0.00 C ATOM 1013 C SER A 65 -15.137 3.140 -20.919 1.00 0.00 C ATOM 1014 O SER A 65 -15.764 3.500 -21.915 1.00 0.00 O ATOM 1015 CB SER A 65 -12.664 3.493 -20.794 1.00 0.00 C ATOM 1016 OG SER A 65 -12.652 3.253 -22.191 1.00 0.00 O ATOM 0 H SER A 65 -13.353 3.516 -18.413 1.00 0.00 H new ATOM 0 HA SER A 65 -14.162 5.030 -20.698 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.892 4.219 -20.540 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.424 2.573 -20.262 1.00 0.00 H new ATOM 0 HG SER A 65 -11.769 2.924 -22.459 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.374 1.993 -20.289 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.406 1.071 -20.746 1.00 0.00 C ATOM 1024 C GLU A 66 -17.797 1.604 -20.416 1.00 0.00 C ATOM 1025 O GLU A 66 -18.790 1.195 -21.018 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.211 -0.306 -20.106 1.00 0.00 C ATOM 1027 CG GLU A 66 -14.984 -1.044 -20.614 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.295 -1.954 -21.786 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.432 -1.893 -22.299 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.402 -2.728 -22.191 1.00 0.00 O ATOM 0 H GLU A 66 -14.865 1.681 -19.462 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.319 0.977 -21.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.132 -0.187 -19.025 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.095 -0.914 -20.296 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.226 -0.319 -20.912 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.558 -1.635 -19.803 1.00 0.00 H new ATOM 1037 N TYR A 67 -17.861 2.519 -19.455 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.129 3.107 -19.041 1.00 0.00 C ATOM 1039 C TYR A 67 -19.473 4.320 -19.901 1.00 0.00 C ATOM 1040 O TYR A 67 -20.439 5.032 -19.630 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.072 3.512 -17.567 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.610 2.457 -16.628 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -20.882 1.925 -16.805 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -18.848 1.992 -15.563 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.379 0.962 -15.949 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.336 1.027 -14.703 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.602 0.515 -14.900 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.092 -0.444 -14.044 1.00 0.00 O ATOM 0 H TYR A 67 -17.049 2.870 -18.948 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.908 2.357 -19.174 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.039 3.732 -17.299 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.640 4.432 -17.430 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.492 2.271 -17.626 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.857 2.392 -15.405 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.370 0.561 -16.100 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.730 0.675 -13.881 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.419 -0.648 -13.361 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.675 4.547 -20.938 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.893 5.674 -21.838 1.00 0.00 C ATOM 1060 C ASN A 68 -18.739 6.999 -21.099 1.00 0.00 C ATOM 1061 O ASN A 68 -19.308 8.015 -21.499 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.285 5.587 -22.468 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.435 6.506 -23.666 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -19.712 6.379 -24.654 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -21.378 7.437 -23.582 1.00 0.00 N ATOM 0 H ASN A 68 -17.871 3.966 -21.177 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.141 5.629 -22.625 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.478 4.559 -22.775 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.036 5.843 -21.721 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -21.526 8.084 -24.357 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.954 7.505 -22.743 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.966 6.981 -20.018 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.735 8.181 -19.224 1.00 0.00 C ATOM 1074 C ILE A 69 -16.492 8.925 -19.700 1.00 0.00 C ATOM 1075 O ILE A 69 -15.368 8.553 -19.364 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.578 7.845 -17.729 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.852 7.187 -17.195 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.252 9.102 -16.936 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.619 6.319 -15.978 1.00 0.00 C ATOM 0 H ILE A 69 -17.489 6.148 -19.672 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.609 8.819 -19.355 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.753 7.142 -17.614 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.575 7.963 -16.945 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.296 6.581 -17.984 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.144 8.849 -15.881 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.320 9.532 -17.303 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.058 9.826 -17.055 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.565 5.885 -15.654 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.921 5.521 -16.229 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.203 6.925 -15.173 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.703 9.979 -20.482 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.599 10.776 -21.003 1.00 0.00 C ATOM 1093 C GLN A 70 -15.164 11.831 -19.991 1.00 0.00 C ATOM 1094 O GLN A 70 -15.583 11.806 -18.834 1.00 0.00 O ATOM 1095 CB GLN A 70 -16.003 11.448 -22.316 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.715 10.516 -23.283 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.899 9.281 -23.612 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -14.748 9.379 -24.040 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -16.490 8.110 -23.411 1.00 0.00 N ATOM 0 H GLN A 70 -17.628 10.300 -20.768 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.758 10.108 -21.188 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.653 12.295 -22.096 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.111 11.847 -22.799 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.669 10.212 -22.853 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.938 11.055 -24.204 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.445 8.075 -23.055 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.989 7.245 -23.612 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.320 12.756 -20.434 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.828 13.821 -19.569 1.00 0.00 C ATOM 1110 C LYS A 71 -14.856 14.941 -19.445 1.00 0.00 C ATOM 1111 O LYS A 71 -14.669 15.885 -18.678 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.511 14.381 -20.112 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.679 15.219 -21.368 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.406 15.242 -22.197 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.468 16.304 -23.284 1.00 0.00 C ATOM 1116 NZ LYS A 71 -12.542 16.021 -24.275 1.00 0.00 N ATOM 0 H LYS A 71 -13.962 12.790 -21.389 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.655 13.399 -18.579 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.038 14.989 -19.340 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.834 13.554 -20.325 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.497 14.819 -21.967 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.954 16.237 -21.093 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.551 15.433 -21.548 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.249 14.264 -22.651 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.641 17.279 -22.829 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.507 16.357 -23.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.530 16.749 -25.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.382 15.087 -24.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.466 16.029 -23.798 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.942 14.828 -20.204 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.999 15.832 -20.178 1.00 0.00 C ATOM 1132 C GLU A 72 -18.325 15.214 -19.746 1.00 0.00 C ATOM 1133 O GLU A 72 -19.339 15.904 -19.641 1.00 0.00 O ATOM 1134 CB GLU A 72 -17.151 16.481 -21.555 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.012 17.421 -21.914 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.396 18.417 -22.992 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -17.568 18.405 -23.422 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.522 19.208 -23.405 1.00 0.00 O ATOM 0 H GLU A 72 -16.112 14.052 -20.844 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.721 16.597 -19.453 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.217 15.698 -22.311 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.090 17.033 -21.585 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.696 17.961 -21.021 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.156 16.837 -22.252 1.00 0.00 H new ATOM 1145 N SER A 73 -18.310 13.908 -19.497 1.00 0.00 N ATOM 1146 CA SER A 73 -19.511 13.195 -19.081 1.00 0.00 C ATOM 1147 C SER A 73 -20.087 13.799 -17.803 1.00 0.00 C ATOM 1148 O SER A 73 -19.349 14.279 -16.942 1.00 0.00 O ATOM 1149 CB SER A 73 -19.201 11.713 -18.862 1.00 0.00 C ATOM 1150 OG SER A 73 -19.115 11.408 -17.481 1.00 0.00 O ATOM 0 H SER A 73 -17.479 13.323 -19.576 1.00 0.00 H new ATOM 0 HA SER A 73 -20.252 13.291 -19.874 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.978 11.104 -19.324 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.262 11.458 -19.353 1.00 0.00 H new ATOM 0 HG SER A 73 -18.289 11.787 -17.113 1.00 0.00 H new ATOM 1156 N THR A 74 -21.411 13.772 -17.687 1.00 0.00 N ATOM 1157 CA THR A 74 -22.087 14.318 -16.517 1.00 0.00 C ATOM 1158 C THR A 74 -22.553 13.206 -15.584 1.00 0.00 C ATOM 1159 O THR A 74 -23.436 12.420 -15.930 1.00 0.00 O ATOM 1160 CB THR A 74 -23.300 15.177 -16.919 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.144 15.648 -18.262 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.461 16.361 -15.977 1.00 0.00 C ATOM 0 H THR A 74 -22.037 13.378 -18.390 1.00 0.00 H new ATOM 0 HA THR A 74 -21.363 14.946 -15.997 1.00 0.00 H new ATOM 0 HB THR A 74 -24.194 14.556 -16.854 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.921 16.192 -18.510 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.324 16.953 -16.281 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.609 15.999 -14.960 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.565 16.980 -16.015 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.955 13.146 -14.399 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.309 12.130 -13.414 1.00 0.00 C ATOM 1172 C LEU A 75 -23.185 12.721 -12.313 1.00 0.00 C ATOM 1173 O LEU A 75 -23.134 13.921 -12.043 1.00 0.00 O ATOM 1174 CB LEU A 75 -21.046 11.519 -12.804 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.575 10.200 -13.418 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.560 9.084 -13.105 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.391 10.347 -14.921 1.00 0.00 C ATOM 0 H LEU A 75 -21.223 13.789 -14.097 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.873 11.348 -13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.238 12.245 -12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.221 11.359 -11.740 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.612 9.940 -12.979 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.208 8.153 -13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.641 8.962 -12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.538 9.336 -13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.056 9.399 -15.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.339 10.631 -15.378 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.646 11.117 -15.123 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.985 11.869 -11.680 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.870 12.306 -10.606 1.00 0.00 C ATOM 1191 C HIS A 76 -24.708 11.421 -9.374 1.00 0.00 C ATOM 1192 O HIS A 76 -24.723 10.193 -9.473 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.325 12.287 -11.075 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.760 13.561 -11.731 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.346 14.601 -11.041 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.691 13.960 -13.023 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.620 15.584 -11.880 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.231 15.221 -13.089 1.00 0.00 N ATOM 0 H HIS A 76 -24.039 10.873 -11.892 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.597 13.326 -10.337 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.462 11.463 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.971 12.089 -10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -26.287 13.392 -13.848 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.083 16.525 -11.621 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.318 15.785 -13.934 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.553 12.051 -8.215 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.388 11.320 -6.963 1.00 0.00 C ATOM 1208 C LEU A 77 -25.719 11.183 -6.233 1.00 0.00 C ATOM 1209 O LEU A 77 -26.310 12.174 -5.805 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.372 12.029 -6.066 1.00 0.00 C ATOM 1211 CG LEU A 77 -21.946 12.124 -6.611 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -21.794 13.349 -7.499 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -20.940 12.161 -5.469 1.00 0.00 C ATOM 0 H LEU A 77 -24.538 13.066 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.020 10.322 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.733 13.039 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -23.339 11.511 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 77 -21.748 11.238 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -20.773 13.400 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -22.488 13.280 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.012 14.247 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.931 12.229 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.136 13.029 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.031 11.252 -4.874 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.186 9.946 -6.091 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.447 9.678 -5.409 1.00 0.00 C ATOM 1227 C VAL A 78 -27.215 8.930 -4.101 1.00 0.00 C ATOM 1228 O VAL A 78 -26.365 8.042 -4.022 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.401 8.856 -6.296 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.016 9.733 -7.376 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -27.669 7.673 -6.912 1.00 0.00 C ATOM 0 H VAL A 78 -25.710 9.114 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.904 10.644 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.207 8.471 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.687 9.135 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.577 10.544 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.225 10.150 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.358 7.103 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -26.842 8.035 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.282 7.032 -6.120 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.977 9.294 -3.076 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.857 8.657 -1.769 1.00 0.00 C ATOM 1243 C LEU A 79 -29.059 7.761 -1.486 1.00 0.00 C ATOM 1244 O LEU A 79 -30.198 8.122 -1.783 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.728 9.717 -0.673 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.327 10.291 -0.456 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.365 9.199 -0.014 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.825 10.965 -1.725 1.00 0.00 C ATOM 0 H LEU A 79 -28.685 10.027 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.960 8.038 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.403 10.539 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.071 9.283 0.266 1.00 0.00 H new ATOM 0 HG LEU A 79 -26.380 11.041 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.373 9.626 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.716 8.761 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.315 8.426 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.827 11.368 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.787 10.235 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -26.501 11.775 -1.998 1.00 0.00 H new