USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 605 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 Single : A 1 LEU N :NH3+ 174:sc= -0.454 (180deg=-0.652) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0341) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.433 (180deg=-1.76!) USER MOD Single : A 13 GLN : amide:sc= -0.802 X(o=-0.8,f=-1.3!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc=-6.23e-05 (180deg=-0.0672) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.00395 K(o=-0.0039,f=-1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -17.1! C(o=-17!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.123) USER MOD Single : A 37 SER OG : rot -157:sc= -2.87! USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.818 (180deg=-1.36) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.86! USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= -1.06 (180deg=-1.29) USER MOD Single : A 49 GLN : amide:sc= -5.63! C(o=-5.6!,f=-5.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.64) USER MOD Single : A 61 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 79 SER OG : rot 100:sc= -2.14 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -28.510 -12.359 -3.552 1.00 0.00 N ATOM 2 CA LEU A 1 -27.820 -11.163 -4.100 1.00 0.00 C ATOM 3 C LEU A 1 -27.885 -9.992 -3.124 1.00 0.00 C ATOM 4 O LEU A 1 -28.093 -8.848 -3.525 1.00 0.00 O ATOM 5 CB LEU A 1 -28.483 -10.782 -5.426 1.00 0.00 C ATOM 6 CG LEU A 1 -30.010 -10.676 -5.378 1.00 0.00 C ATOM 7 CD1 LEU A 1 -30.488 -9.485 -6.195 1.00 0.00 C ATOM 8 CD2 LEU A 1 -30.650 -11.960 -5.883 1.00 0.00 C ATOM 0 H1 LEU A 1 -28.538 -13.105 -4.276 1.00 0.00 H new ATOM 0 H2 LEU A 1 -27.995 -12.705 -2.718 1.00 0.00 H new ATOM 0 H3 LEU A 1 -29.481 -12.105 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 1 -26.768 -11.399 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -28.077 -9.826 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -28.208 -11.522 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 1 -30.312 -10.526 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -31.575 -9.425 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -30.057 -8.569 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -30.174 -9.606 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -31.735 -11.866 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -30.340 -12.140 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -30.334 -12.795 -5.257 1.00 0.00 H new ATOM 22 N LYS A 2 -27.707 -10.286 -1.841 1.00 0.00 N ATOM 23 CA LYS A 2 -27.746 -9.257 -0.807 1.00 0.00 C ATOM 24 C LYS A 2 -26.601 -9.435 0.183 1.00 0.00 C ATOM 25 O LYS A 2 -25.908 -8.476 0.524 1.00 0.00 O ATOM 26 CB LYS A 2 -29.088 -9.296 -0.069 1.00 0.00 C ATOM 27 CG LYS A 2 -30.024 -8.160 -0.450 1.00 0.00 C ATOM 28 CD LYS A 2 -31.172 -8.030 0.539 1.00 0.00 C ATOM 29 CE LYS A 2 -32.343 -7.270 -0.064 1.00 0.00 C ATOM 30 NZ LYS A 2 -31.953 -5.895 -0.484 1.00 0.00 N ATOM 0 H LYS A 2 -27.534 -11.228 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 2 -27.634 -8.287 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.580 -10.246 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -28.904 -9.260 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -29.466 -7.224 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -30.421 -8.334 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -31.501 -9.022 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -30.825 -7.515 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -32.727 -7.818 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -33.152 -7.212 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -32.804 -5.358 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -31.470 -5.416 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -31.312 -5.950 -1.301 1.00 0.00 H new ATOM 44 N LYS A 3 -26.404 -10.667 0.641 1.00 0.00 N ATOM 45 CA LYS A 3 -25.342 -10.969 1.593 1.00 0.00 C ATOM 46 C LYS A 3 -24.145 -11.601 0.891 1.00 0.00 C ATOM 47 O LYS A 3 -24.032 -12.824 0.813 1.00 0.00 O ATOM 48 CB LYS A 3 -25.860 -11.905 2.686 1.00 0.00 C ATOM 49 CG LYS A 3 -24.960 -11.966 3.910 1.00 0.00 C ATOM 50 CD LYS A 3 -24.947 -13.358 4.523 1.00 0.00 C ATOM 51 CE LYS A 3 -23.696 -14.128 4.134 1.00 0.00 C ATOM 52 NZ LYS A 3 -22.687 -14.139 5.229 1.00 0.00 N ATOM 0 H LYS A 3 -26.967 -11.473 0.368 1.00 0.00 H new ATOM 0 HA LYS A 3 -25.020 -10.033 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.854 -11.578 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.967 -12.908 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -23.946 -11.680 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.303 -11.244 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.003 -13.279 5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.830 -13.908 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -23.965 -15.153 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.258 -13.682 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.849 -14.674 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.410 -13.162 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -23.096 -14.588 6.073 1.00 0.00 H new ATOM 66 N THR A 4 -23.251 -10.759 0.382 1.00 0.00 N ATOM 67 CA THR A 4 -22.060 -11.233 -0.312 1.00 0.00 C ATOM 68 C THR A 4 -20.819 -10.482 0.161 1.00 0.00 C ATOM 69 O THR A 4 -20.667 -9.289 -0.103 1.00 0.00 O ATOM 70 CB THR A 4 -22.225 -11.069 -1.823 1.00 0.00 C ATOM 71 OG1 THR A 4 -20.993 -11.279 -2.488 1.00 0.00 O ATOM 72 CG2 THR A 4 -22.738 -9.703 -2.224 1.00 0.00 C ATOM 0 H THR A 4 -23.330 -9.744 0.438 1.00 0.00 H new ATOM 0 HA THR A 4 -21.932 -12.291 -0.081 1.00 0.00 H new ATOM 0 HB THR A 4 -22.963 -11.816 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 4 -21.120 -11.171 -3.454 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.832 -9.654 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 4 -23.713 -9.532 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 4 -22.039 -8.938 -1.885 1.00 0.00 H new ATOM 80 N SER A 5 -19.938 -11.186 0.862 1.00 0.00 N ATOM 81 CA SER A 5 -18.712 -10.584 1.374 1.00 0.00 C ATOM 82 C SER A 5 -17.482 -11.305 0.829 1.00 0.00 C ATOM 83 O SER A 5 -17.492 -12.523 0.652 1.00 0.00 O ATOM 84 CB SER A 5 -18.702 -10.619 2.903 1.00 0.00 C ATOM 85 OG SER A 5 -19.235 -9.423 3.444 1.00 0.00 O ATOM 0 H SER A 5 -20.049 -12.174 1.089 1.00 0.00 H new ATOM 0 HA SER A 5 -18.680 -9.547 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.284 -11.471 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.682 -10.760 3.260 1.00 0.00 H new ATOM 0 HG SER A 5 -19.219 -9.471 4.423 1.00 0.00 H new ATOM 91 N SER A 6 -16.426 -10.544 0.565 1.00 0.00 N ATOM 92 CA SER A 6 -15.188 -11.109 0.041 1.00 0.00 C ATOM 93 C SER A 6 -14.124 -11.199 1.132 1.00 0.00 C ATOM 94 O SER A 6 -13.229 -12.041 1.072 1.00 0.00 O ATOM 95 CB SER A 6 -14.669 -10.262 -1.122 1.00 0.00 C ATOM 96 OG SER A 6 -15.031 -8.902 -0.965 1.00 0.00 O ATOM 0 H SER A 6 -16.402 -9.534 0.705 1.00 0.00 H new ATOM 0 HA SER A 6 -15.402 -12.116 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.584 -10.348 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.072 -10.642 -2.061 1.00 0.00 H new ATOM 0 HG SER A 6 -14.686 -8.382 -1.721 1.00 0.00 H new ATOM 102 N SER A 7 -14.229 -10.322 2.129 1.00 0.00 N ATOM 103 CA SER A 7 -13.277 -10.302 3.236 1.00 0.00 C ATOM 104 C SER A 7 -11.890 -9.888 2.754 1.00 0.00 C ATOM 105 O SER A 7 -10.889 -10.523 3.089 1.00 0.00 O ATOM 106 CB SER A 7 -13.211 -11.677 3.909 1.00 0.00 C ATOM 107 OG SER A 7 -12.857 -11.558 5.275 1.00 0.00 O ATOM 0 H SER A 7 -14.963 -9.617 2.192 1.00 0.00 H new ATOM 0 HA SER A 7 -13.622 -9.568 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.177 -12.175 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.482 -12.303 3.394 1.00 0.00 H new ATOM 0 HG SER A 7 -12.823 -12.448 5.683 1.00 0.00 H new ATOM 113 N GLY A 8 -11.837 -8.819 1.966 1.00 0.00 N ATOM 114 CA GLY A 8 -10.568 -8.339 1.454 1.00 0.00 C ATOM 115 C GLY A 8 -10.024 -7.175 2.262 1.00 0.00 C ATOM 116 O GLY A 8 -10.473 -6.928 3.381 1.00 0.00 O ATOM 0 H GLY A 8 -12.650 -8.277 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.844 -9.154 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.691 -8.032 0.415 1.00 0.00 H new ATOM 120 N LEU A 9 -9.059 -6.455 1.696 1.00 0.00 N ATOM 121 CA LEU A 9 -8.464 -5.315 2.373 1.00 0.00 C ATOM 122 C LEU A 9 -8.128 -4.225 1.374 1.00 0.00 C ATOM 123 O LEU A 9 -7.642 -4.501 0.278 1.00 0.00 O ATOM 124 CB LEU A 9 -7.201 -5.740 3.127 1.00 0.00 C ATOM 125 CG LEU A 9 -7.436 -6.702 4.296 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.419 -7.834 4.271 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.374 -5.958 5.621 1.00 0.00 C ATOM 0 H LEU A 9 -8.675 -6.644 0.770 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.187 -4.926 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.516 -6.210 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.705 -4.847 3.506 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.432 -7.133 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.602 -8.506 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.512 -8.386 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.413 -7.421 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.543 -6.658 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.392 -5.498 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.142 -5.185 5.640 1.00 0.00 H new ATOM 139 N TYR A 10 -8.377 -2.984 1.759 1.00 0.00 N ATOM 140 CA TYR A 10 -8.086 -1.859 0.895 1.00 0.00 C ATOM 141 C TYR A 10 -6.798 -1.190 1.337 1.00 0.00 C ATOM 142 O TYR A 10 -6.760 -0.498 2.354 1.00 0.00 O ATOM 143 CB TYR A 10 -9.247 -0.866 0.905 1.00 0.00 C ATOM 144 CG TYR A 10 -10.590 -1.519 0.663 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.942 -1.969 -0.600 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.500 -1.689 1.694 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.164 -2.570 -0.832 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.727 -2.288 1.474 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.055 -2.727 0.208 1.00 0.00 C ATOM 150 OH TYR A 10 -14.274 -3.324 -0.017 1.00 0.00 O ATOM 0 H TYR A 10 -8.779 -2.734 2.662 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.958 -2.218 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.268 -0.351 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.075 -0.108 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.248 -1.847 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.247 -1.348 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.420 -2.915 -1.823 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.425 -2.411 2.289 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.781 -3.358 0.821 1.00 0.00 H new ATOM 160 N LYS A 11 -5.746 -1.402 0.563 1.00 0.00 N ATOM 161 CA LYS A 11 -4.444 -0.815 0.870 1.00 0.00 C ATOM 162 C LYS A 11 -3.927 -0.015 -0.318 1.00 0.00 C ATOM 163 O LYS A 11 -4.266 -0.310 -1.464 1.00 0.00 O ATOM 164 CB LYS A 11 -3.440 -1.910 1.236 1.00 0.00 C ATOM 165 CG LYS A 11 -4.000 -2.960 2.185 1.00 0.00 C ATOM 166 CD LYS A 11 -3.241 -4.272 2.071 1.00 0.00 C ATOM 167 CE LYS A 11 -3.717 -5.281 3.102 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.717 -6.670 2.562 1.00 0.00 N ATOM 0 H LYS A 11 -5.764 -1.974 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.562 -0.144 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.102 -2.401 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.564 -1.450 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.944 -2.593 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.054 -3.127 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.372 -4.683 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.175 -4.090 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.074 -5.233 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.723 -5.019 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.526 -7.342 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.645 -6.879 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.980 -6.759 1.834 1.00 0.00 H new ATOM 182 N VAL A 12 -3.104 0.999 -0.051 1.00 0.00 N ATOM 183 CA VAL A 12 -2.555 1.816 -1.127 1.00 0.00 C ATOM 184 C VAL A 12 -1.087 1.464 -1.360 1.00 0.00 C ATOM 185 O VAL A 12 -0.350 1.223 -0.414 1.00 0.00 O ATOM 186 CB VAL A 12 -2.694 3.336 -0.849 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.049 4.080 -2.120 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.741 3.633 0.214 1.00 0.00 C ATOM 0 H VAL A 12 -2.808 1.270 0.887 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.135 1.594 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.727 3.677 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.142 5.144 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.265 3.927 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.995 3.704 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.802 4.709 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.710 3.260 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.462 3.143 1.147 1.00 0.00 H new ATOM 198 N GLN A 13 -0.675 1.413 -2.622 1.00 0.00 N ATOM 199 CA GLN A 13 0.703 1.068 -2.961 1.00 0.00 C ATOM 200 C GLN A 13 1.283 2.043 -3.978 1.00 0.00 C ATOM 201 O GLN A 13 0.629 2.392 -4.960 1.00 0.00 O ATOM 202 CB GLN A 13 0.775 -0.359 -3.509 1.00 0.00 C ATOM 203 CG GLN A 13 2.183 -0.937 -3.520 1.00 0.00 C ATOM 204 CD GLN A 13 2.477 -1.731 -4.778 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.978 -1.413 -5.858 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.291 -2.772 -4.642 1.00 0.00 N ATOM 0 H GLN A 13 -1.273 1.605 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 13 1.296 1.133 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.132 -1.003 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.379 -0.370 -4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.906 -0.126 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.315 -1.580 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.681 -2.998 -3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.526 -3.345 -5.452 1.00 0.00 H new ATOM 215 N ILE A 14 2.511 2.494 -3.730 1.00 0.00 N ATOM 216 CA ILE A 14 3.159 3.443 -4.625 1.00 0.00 C ATOM 217 C ILE A 14 4.287 2.812 -5.442 1.00 0.00 C ATOM 218 O ILE A 14 4.838 3.463 -6.330 1.00 0.00 O ATOM 219 CB ILE A 14 3.712 4.660 -3.860 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.693 4.207 -2.769 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.570 5.483 -3.282 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.209 4.433 -1.353 1.00 0.00 C ATOM 0 H ILE A 14 3.071 2.219 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 14 2.380 3.770 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 14 4.262 5.296 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.900 3.145 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.637 4.735 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.975 6.340 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.928 5.833 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.988 4.867 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.965 4.084 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.030 5.497 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.282 3.882 -1.193 1.00 0.00 H new ATOM 234 N GLY A 15 4.626 1.547 -5.175 1.00 0.00 N ATOM 235 CA GLY A 15 5.680 0.915 -5.955 1.00 0.00 C ATOM 236 C GLY A 15 6.311 -0.302 -5.301 1.00 0.00 C ATOM 237 O GLY A 15 6.062 -0.600 -4.134 1.00 0.00 O ATOM 0 H GLY A 15 4.202 0.964 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.271 0.620 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.460 1.651 -6.150 1.00 0.00 H new ATOM 241 N ALA A 16 7.165 -0.975 -6.070 1.00 0.00 N ATOM 242 CA ALA A 16 7.905 -2.147 -5.611 1.00 0.00 C ATOM 243 C ALA A 16 9.221 -2.239 -6.380 1.00 0.00 C ATOM 244 O ALA A 16 9.287 -1.829 -7.538 1.00 0.00 O ATOM 245 CB ALA A 16 7.083 -3.420 -5.786 1.00 0.00 C ATOM 0 H ALA A 16 7.364 -0.719 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 16 8.115 -2.042 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.659 -4.276 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.163 -3.341 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.839 -3.553 -6.840 1.00 0.00 H new ATOM 251 N PHE A 17 10.274 -2.755 -5.751 1.00 0.00 N ATOM 252 CA PHE A 17 11.568 -2.858 -6.424 1.00 0.00 C ATOM 253 C PHE A 17 12.395 -4.012 -5.870 1.00 0.00 C ATOM 254 O PHE A 17 12.244 -4.399 -4.712 1.00 0.00 O ATOM 255 CB PHE A 17 12.349 -1.551 -6.278 1.00 0.00 C ATOM 256 CG PHE A 17 11.502 -0.317 -6.405 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.795 0.172 -5.318 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.414 0.355 -7.614 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.016 1.307 -5.433 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.635 1.491 -7.736 1.00 0.00 C ATOM 261 CZ PHE A 17 9.936 1.968 -6.644 1.00 0.00 C ATOM 0 H PHE A 17 10.260 -3.103 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 17 11.375 -3.051 -7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.844 -1.542 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.133 -1.521 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.854 -0.341 -4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.960 -0.013 -8.470 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.470 1.677 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.573 2.005 -8.684 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.328 2.856 -6.737 1.00 0.00 H new ATOM 271 N LYS A 18 13.278 -4.546 -6.705 1.00 0.00 N ATOM 272 CA LYS A 18 14.143 -5.650 -6.303 1.00 0.00 C ATOM 273 C LYS A 18 15.022 -5.262 -5.117 1.00 0.00 C ATOM 274 O LYS A 18 15.586 -6.126 -4.444 1.00 0.00 O ATOM 275 CB LYS A 18 15.026 -6.088 -7.475 1.00 0.00 C ATOM 276 CG LYS A 18 14.256 -6.367 -8.755 1.00 0.00 C ATOM 277 CD LYS A 18 15.074 -6.016 -9.987 1.00 0.00 C ATOM 278 CE LYS A 18 15.678 -7.254 -10.627 1.00 0.00 C ATOM 279 NZ LYS A 18 14.648 -8.084 -11.311 1.00 0.00 N ATOM 0 H LYS A 18 13.415 -4.232 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 18 13.503 -6.479 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.766 -5.312 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.574 -6.986 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.977 -7.420 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.330 -5.792 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.441 -5.503 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.869 -5.323 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.440 -6.955 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.177 -7.851 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.115 -8.768 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.086 -8.595 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.022 -7.470 -11.870 1.00 0.00 H new ATOM 293 N VAL A 19 15.148 -3.961 -4.867 1.00 0.00 N ATOM 294 CA VAL A 19 15.972 -3.473 -3.769 1.00 0.00 C ATOM 295 C VAL A 19 15.127 -2.970 -2.603 1.00 0.00 C ATOM 296 O VAL A 19 14.204 -2.177 -2.784 1.00 0.00 O ATOM 297 CB VAL A 19 16.899 -2.336 -4.234 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.895 -1.977 -3.142 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.619 -2.723 -5.518 1.00 0.00 C ATOM 0 H VAL A 19 14.690 -3.229 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 19 16.569 -4.320 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 19 16.289 -1.457 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.542 -1.171 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.357 -1.652 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.501 -2.850 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.270 -1.906 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.217 -3.617 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.886 -2.923 -6.300 1.00 0.00 H new ATOM 309 N LYS A 20 15.464 -3.434 -1.405 1.00 0.00 N ATOM 310 CA LYS A 20 14.761 -3.040 -0.195 1.00 0.00 C ATOM 311 C LYS A 20 15.116 -1.610 0.177 1.00 0.00 C ATOM 312 O LYS A 20 14.258 -0.848 0.615 1.00 0.00 O ATOM 313 CB LYS A 20 15.113 -3.984 0.955 1.00 0.00 C ATOM 314 CG LYS A 20 14.282 -3.752 2.208 1.00 0.00 C ATOM 315 CD LYS A 20 15.037 -2.916 3.230 1.00 0.00 C ATOM 316 CE LYS A 20 14.108 -1.964 3.967 1.00 0.00 C ATOM 317 NZ LYS A 20 14.518 -1.776 5.385 1.00 0.00 N ATOM 0 H LYS A 20 16.229 -4.091 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 20 13.689 -3.099 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.977 -5.014 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.168 -3.866 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.352 -3.250 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.011 -4.711 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.529 -3.573 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.820 -2.347 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.100 -0.999 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.089 -2.351 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.860 -1.121 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.501 -2.693 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.480 -1.383 5.419 1.00 0.00 H new ATOM 331 N ALA A 21 16.382 -1.240 -0.016 1.00 0.00 N ATOM 332 CA ALA A 21 16.826 0.115 0.284 1.00 0.00 C ATOM 333 C ALA A 21 15.985 1.112 -0.498 1.00 0.00 C ATOM 334 O ALA A 21 15.688 2.207 -0.021 1.00 0.00 O ATOM 335 CB ALA A 21 18.300 0.280 -0.051 1.00 0.00 C ATOM 0 H ALA A 21 17.111 -1.856 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 21 16.699 0.303 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.614 1.298 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.888 -0.423 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.456 0.084 -1.112 1.00 0.00 H new ATOM 341 N ASN A 22 15.575 0.698 -1.692 1.00 0.00 N ATOM 342 CA ASN A 22 14.733 1.526 -2.536 1.00 0.00 C ATOM 343 C ASN A 22 13.313 1.510 -1.991 1.00 0.00 C ATOM 344 O ASN A 22 12.594 2.506 -2.064 1.00 0.00 O ATOM 345 CB ASN A 22 14.752 1.019 -3.978 1.00 0.00 C ATOM 346 CG ASN A 22 15.984 1.476 -4.736 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.934 1.992 -4.146 1.00 0.00 O ATOM 348 ND2 ASN A 22 15.975 1.289 -6.051 1.00 0.00 N ATOM 0 H ASN A 22 15.815 -0.208 -2.094 1.00 0.00 H new ATOM 0 HA ASN A 22 15.115 2.547 -2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.712 -0.070 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.859 1.370 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.776 1.577 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.167 0.857 -6.499 1.00 0.00 H new ATOM 355 N ALA A 23 12.924 0.368 -1.423 1.00 0.00 N ATOM 356 CA ALA A 23 11.595 0.229 -0.844 1.00 0.00 C ATOM 357 C ALA A 23 11.489 1.022 0.460 1.00 0.00 C ATOM 358 O ALA A 23 10.391 1.359 0.908 1.00 0.00 O ATOM 359 CB ALA A 23 11.268 -1.239 -0.607 1.00 0.00 C ATOM 0 H ALA A 23 13.508 -0.466 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 23 10.869 0.634 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.271 -1.324 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.299 -1.776 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.999 -1.669 0.078 1.00 0.00 H new ATOM 365 N ASP A 24 12.639 1.318 1.062 1.00 0.00 N ATOM 366 CA ASP A 24 12.680 2.075 2.308 1.00 0.00 C ATOM 367 C ASP A 24 12.581 3.570 2.027 1.00 0.00 C ATOM 368 O ASP A 24 11.930 4.309 2.767 1.00 0.00 O ATOM 369 CB ASP A 24 13.971 1.771 3.072 1.00 0.00 C ATOM 370 CG ASP A 24 13.748 1.673 4.569 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.741 1.059 4.979 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.580 2.210 5.329 1.00 0.00 O ATOM 0 H ASP A 24 13.555 1.044 0.706 1.00 0.00 H new ATOM 0 HA ASP A 24 11.829 1.777 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.393 0.834 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.704 2.552 2.867 1.00 0.00 H new ATOM 377 N SER A 25 13.215 4.005 0.943 1.00 0.00 N ATOM 378 CA SER A 25 13.180 5.409 0.555 1.00 0.00 C ATOM 379 C SER A 25 11.761 5.799 0.158 1.00 0.00 C ATOM 380 O SER A 25 11.301 6.904 0.447 1.00 0.00 O ATOM 381 CB SER A 25 14.141 5.667 -0.607 1.00 0.00 C ATOM 382 OG SER A 25 13.985 6.981 -1.116 1.00 0.00 O ATOM 0 H SER A 25 13.757 3.407 0.320 1.00 0.00 H new ATOM 0 HA SER A 25 13.494 6.016 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.168 5.523 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.960 4.942 -1.401 1.00 0.00 H new ATOM 0 HG SER A 25 14.611 7.121 -1.857 1.00 0.00 H new ATOM 388 N LEU A 26 11.075 4.871 -0.496 1.00 0.00 N ATOM 389 CA LEU A 26 9.703 5.085 -0.932 1.00 0.00 C ATOM 390 C LEU A 26 8.771 5.165 0.275 1.00 0.00 C ATOM 391 O LEU A 26 7.947 6.070 0.383 1.00 0.00 O ATOM 392 CB LEU A 26 9.277 3.951 -1.867 1.00 0.00 C ATOM 393 CG LEU A 26 7.944 4.145 -2.591 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.923 5.461 -3.358 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.681 2.978 -3.530 1.00 0.00 C ATOM 0 H LEU A 26 11.452 3.954 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 26 9.642 6.029 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.057 3.811 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.222 3.030 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 26 7.152 4.180 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.964 5.573 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.066 6.289 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.724 5.464 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.729 3.128 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.481 2.917 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.644 2.051 -2.957 1.00 0.00 H new ATOM 407 N ALA A 27 8.921 4.223 1.198 1.00 0.00 N ATOM 408 CA ALA A 27 8.101 4.212 2.404 1.00 0.00 C ATOM 409 C ALA A 27 8.305 5.502 3.197 1.00 0.00 C ATOM 410 O ALA A 27 7.424 5.937 3.941 1.00 0.00 O ATOM 411 CB ALA A 27 8.436 3.000 3.262 1.00 0.00 C ATOM 0 H ALA A 27 9.597 3.462 1.136 1.00 0.00 H new ATOM 0 HA ALA A 27 7.053 4.148 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.816 3.006 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.245 2.089 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.487 3.036 3.548 1.00 0.00 H new ATOM 417 N SER A 28 9.475 6.111 3.022 1.00 0.00 N ATOM 418 CA SER A 28 9.809 7.351 3.710 1.00 0.00 C ATOM 419 C SER A 28 9.068 8.537 3.096 1.00 0.00 C ATOM 420 O SER A 28 8.586 9.417 3.810 1.00 0.00 O ATOM 421 CB SER A 28 11.318 7.597 3.659 1.00 0.00 C ATOM 422 OG SER A 28 11.793 8.115 4.890 1.00 0.00 O ATOM 0 H SER A 28 10.210 5.762 2.406 1.00 0.00 H new ATOM 0 HA SER A 28 9.497 7.252 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.834 6.665 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.549 8.295 2.854 1.00 0.00 H new ATOM 0 HG SER A 28 12.760 8.262 4.832 1.00 0.00 H new ATOM 428 N ASN A 29 8.977 8.556 1.767 1.00 0.00 N ATOM 429 CA ASN A 29 8.291 9.640 1.071 1.00 0.00 C ATOM 430 C ASN A 29 6.838 9.723 1.510 1.00 0.00 C ATOM 431 O ASN A 29 6.340 10.798 1.846 1.00 0.00 O ATOM 432 CB ASN A 29 8.400 9.460 -0.450 1.00 0.00 C ATOM 433 CG ASN A 29 7.441 8.430 -1.026 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.861 7.362 -1.460 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.155 8.756 -1.059 1.00 0.00 N ATOM 0 H ASN A 29 9.367 7.838 1.156 1.00 0.00 H new ATOM 0 HA ASN A 29 8.775 10.580 1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.217 10.420 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.421 9.168 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.475 8.108 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.847 9.655 -0.687 1.00 0.00 H new ATOM 442 N ALA A 30 6.166 8.581 1.517 1.00 0.00 N ATOM 443 CA ALA A 30 4.772 8.526 1.929 1.00 0.00 C ATOM 444 C ALA A 30 4.636 8.949 3.385 1.00 0.00 C ATOM 445 O ALA A 30 3.683 9.633 3.759 1.00 0.00 O ATOM 446 CB ALA A 30 4.213 7.129 1.727 1.00 0.00 C ATOM 0 H ALA A 30 6.563 7.682 1.243 1.00 0.00 H new ATOM 0 HA ALA A 30 4.199 9.217 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.169 7.106 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.282 6.858 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.786 6.418 2.322 1.00 0.00 H new ATOM 452 N GLU A 31 5.603 8.540 4.204 1.00 0.00 N ATOM 453 CA GLU A 31 5.598 8.883 5.623 1.00 0.00 C ATOM 454 C GLU A 31 5.498 10.394 5.804 1.00 0.00 C ATOM 455 O GLU A 31 4.839 10.880 6.723 1.00 0.00 O ATOM 456 CB GLU A 31 6.862 8.356 6.305 1.00 0.00 C ATOM 457 CG GLU A 31 6.837 8.487 7.818 1.00 0.00 C ATOM 458 CD GLU A 31 8.226 8.535 8.423 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.157 7.968 7.815 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.383 9.140 9.504 1.00 0.00 O ATOM 0 H GLU A 31 6.398 7.972 3.910 1.00 0.00 H new ATOM 0 HA GLU A 31 4.729 8.415 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.996 7.307 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.726 8.895 5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.294 9.392 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.289 7.646 8.243 1.00 0.00 H new ATOM 467 N ALA A 32 6.152 11.127 4.910 1.00 0.00 N ATOM 468 CA ALA A 32 6.141 12.585 4.946 1.00 0.00 C ATOM 469 C ALA A 32 4.713 13.105 4.995 1.00 0.00 C ATOM 470 O ALA A 32 4.362 13.905 5.864 1.00 0.00 O ATOM 471 CB ALA A 32 6.872 13.149 3.737 1.00 0.00 C ATOM 0 H ALA A 32 6.700 10.732 4.146 1.00 0.00 H new ATOM 0 HA ALA A 32 6.658 12.914 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.856 14.238 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.905 12.801 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.380 12.812 2.825 1.00 0.00 H new ATOM 477 N LYS A 33 3.882 12.626 4.073 1.00 0.00 N ATOM 478 CA LYS A 33 2.485 13.032 4.041 1.00 0.00 C ATOM 479 C LYS A 33 1.808 12.593 5.332 1.00 0.00 C ATOM 480 O LYS A 33 0.855 13.220 5.798 1.00 0.00 O ATOM 481 CB LYS A 33 1.770 12.414 2.843 1.00 0.00 C ATOM 482 CG LYS A 33 2.139 13.054 1.517 1.00 0.00 C ATOM 483 CD LYS A 33 1.713 14.513 1.467 1.00 0.00 C ATOM 484 CE LYS A 33 2.898 15.448 1.645 1.00 0.00 C ATOM 485 NZ LYS A 33 3.370 16.002 0.346 1.00 0.00 N ATOM 0 H LYS A 33 4.151 11.963 3.346 1.00 0.00 H new ATOM 0 HA LYS A 33 2.433 14.117 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.004 11.350 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.693 12.498 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.216 12.982 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.664 12.507 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.227 14.718 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.977 14.705 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.618 16.266 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.714 14.911 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.036 16.781 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.847 15.255 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.557 16.358 -0.196 1.00 0.00 H new ATOM 499 N GLY A 34 2.330 11.515 5.909 1.00 0.00 N ATOM 500 CA GLY A 34 1.800 11.000 7.150 1.00 0.00 C ATOM 501 C GLY A 34 1.049 9.700 6.962 1.00 0.00 C ATOM 502 O GLY A 34 0.080 9.424 7.670 1.00 0.00 O ATOM 0 H GLY A 34 3.118 10.988 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.617 10.846 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.134 11.741 7.592 1.00 0.00 H new ATOM 506 N PHE A 35 1.503 8.894 6.009 1.00 0.00 N ATOM 507 CA PHE A 35 0.876 7.615 5.736 1.00 0.00 C ATOM 508 C PHE A 35 1.668 6.483 6.373 1.00 0.00 C ATOM 509 O PHE A 35 2.865 6.616 6.633 1.00 0.00 O ATOM 510 CB PHE A 35 0.767 7.398 4.230 1.00 0.00 C ATOM 511 CG PHE A 35 0.215 8.588 3.497 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.714 9.424 4.099 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.634 8.874 2.214 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.216 10.519 3.427 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.139 9.972 1.536 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.788 10.795 2.143 1.00 0.00 C ATOM 0 H PHE A 35 2.304 9.108 5.414 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.125 7.620 6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.753 7.160 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.130 6.535 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.048 9.215 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.358 8.232 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.943 11.160 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.477 10.186 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.178 11.653 1.615 1.00 0.00 H new ATOM 526 N ASP A 36 0.996 5.368 6.612 1.00 0.00 N ATOM 527 CA ASP A 36 1.639 4.208 7.210 1.00 0.00 C ATOM 528 C ASP A 36 2.315 3.375 6.130 1.00 0.00 C ATOM 529 O ASP A 36 1.672 2.552 5.479 1.00 0.00 O ATOM 530 CB ASP A 36 0.616 3.359 7.968 1.00 0.00 C ATOM 531 CG ASP A 36 1.181 2.781 9.251 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.750 1.670 9.201 1.00 0.00 O ATOM 533 OD2 ASP A 36 1.053 3.439 10.304 1.00 0.00 O ATOM 0 H ASP A 36 0.006 5.241 6.401 1.00 0.00 H new ATOM 0 HA ASP A 36 2.393 4.553 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.257 3.969 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.275 2.547 7.326 1.00 0.00 H new ATOM 538 N SER A 37 3.609 3.604 5.924 1.00 0.00 N ATOM 539 CA SER A 37 4.347 2.883 4.899 1.00 0.00 C ATOM 540 C SER A 37 4.744 1.500 5.389 1.00 0.00 C ATOM 541 O SER A 37 4.843 1.254 6.591 1.00 0.00 O ATOM 542 CB SER A 37 5.595 3.670 4.490 1.00 0.00 C ATOM 543 OG SER A 37 6.606 3.573 5.478 1.00 0.00 O ATOM 0 H SER A 37 4.163 4.279 6.451 1.00 0.00 H new ATOM 0 HA SER A 37 3.697 2.769 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.973 3.291 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.334 4.717 4.334 1.00 0.00 H new ATOM 0 HG SER A 37 7.218 4.334 5.395 1.00 0.00 H new ATOM 549 N ILE A 38 4.941 0.593 4.444 1.00 0.00 N ATOM 550 CA ILE A 38 5.293 -0.782 4.761 1.00 0.00 C ATOM 551 C ILE A 38 6.029 -1.435 3.594 1.00 0.00 C ATOM 552 O ILE A 38 5.672 -1.235 2.434 1.00 0.00 O ATOM 553 CB ILE A 38 4.021 -1.592 5.093 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.289 -3.099 5.033 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.899 -1.201 4.138 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.579 -3.881 6.116 1.00 0.00 C ATOM 0 H ILE A 38 4.862 0.787 3.446 1.00 0.00 H new ATOM 0 HA ILE A 38 5.953 -0.774 5.629 1.00 0.00 H new ATOM 0 HB ILE A 38 3.717 -1.357 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.978 -3.477 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.362 -3.273 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.003 -1.775 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.687 -0.137 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.204 -1.412 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.814 -4.940 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.908 -3.530 7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.503 -3.737 6.022 1.00 0.00 H new ATOM 568 N VAL A 39 7.060 -2.214 3.908 1.00 0.00 N ATOM 569 CA VAL A 39 7.839 -2.891 2.880 1.00 0.00 C ATOM 570 C VAL A 39 7.741 -4.407 3.012 1.00 0.00 C ATOM 571 O VAL A 39 8.184 -4.980 4.007 1.00 0.00 O ATOM 572 CB VAL A 39 9.323 -2.479 2.939 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.078 -3.032 1.740 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.455 -0.964 3.006 1.00 0.00 C ATOM 0 H VAL A 39 7.373 -2.391 4.862 1.00 0.00 H new ATOM 0 HA VAL A 39 7.419 -2.588 1.921 1.00 0.00 H new ATOM 0 HB VAL A 39 9.762 -2.900 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.124 -2.731 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.013 -4.120 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.639 -2.642 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.510 -0.692 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.000 -0.520 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.950 -0.594 3.898 1.00 0.00 H new ATOM 584 N LEU A 40 7.163 -5.057 2.003 1.00 0.00 N ATOM 585 CA LEU A 40 7.017 -6.510 2.017 1.00 0.00 C ATOM 586 C LEU A 40 7.800 -7.135 0.867 1.00 0.00 C ATOM 587 O LEU A 40 7.656 -6.732 -0.289 1.00 0.00 O ATOM 588 CB LEU A 40 5.532 -6.901 1.937 1.00 0.00 C ATOM 589 CG LEU A 40 5.216 -8.197 1.175 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.114 -9.339 1.638 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.749 -8.564 1.345 1.00 0.00 C ATOM 0 H LEU A 40 6.790 -4.602 1.170 1.00 0.00 H new ATOM 0 HA LEU A 40 7.422 -6.890 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.147 -6.997 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.987 -6.084 1.465 1.00 0.00 H new ATOM 0 HG LEU A 40 5.413 -8.027 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.868 -10.244 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.157 -9.076 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.960 -9.515 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.539 -9.484 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.531 -8.711 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.125 -7.760 0.954 1.00 0.00 H new ATOM 603 N LEU A 41 8.633 -8.113 1.194 1.00 0.00 N ATOM 604 CA LEU A 41 9.448 -8.788 0.197 1.00 0.00 C ATOM 605 C LEU A 41 8.740 -10.013 -0.384 1.00 0.00 C ATOM 606 O LEU A 41 8.490 -10.991 0.319 1.00 0.00 O ATOM 607 CB LEU A 41 10.787 -9.213 0.805 1.00 0.00 C ATOM 608 CG LEU A 41 11.623 -10.164 -0.058 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.640 -9.688 -1.500 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.038 -10.283 0.489 1.00 0.00 C ATOM 0 H LEU A 41 8.761 -8.457 2.146 1.00 0.00 H new ATOM 0 HA LEU A 41 9.619 -8.080 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.376 -8.319 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.596 -9.692 1.765 1.00 0.00 H new ATOM 0 HG LEU A 41 11.166 -11.153 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.237 -10.373 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.621 -9.660 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.074 -8.689 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.615 -10.963 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.511 -9.301 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.003 -10.670 1.507 1.00 0.00 H new ATOM 622 N LYS A 42 8.469 -9.962 -1.682 1.00 0.00 N ATOM 623 CA LYS A 42 7.849 -11.076 -2.384 1.00 0.00 C ATOM 624 C LYS A 42 8.888 -11.697 -3.304 1.00 0.00 C ATOM 625 O LYS A 42 9.738 -10.981 -3.823 1.00 0.00 O ATOM 626 CB LYS A 42 6.628 -10.623 -3.188 1.00 0.00 C ATOM 627 CG LYS A 42 6.990 -9.955 -4.499 1.00 0.00 C ATOM 628 CD LYS A 42 7.268 -10.975 -5.597 1.00 0.00 C ATOM 629 CE LYS A 42 8.568 -10.678 -6.307 1.00 0.00 C ATOM 630 NZ LYS A 42 8.446 -10.846 -7.781 1.00 0.00 N ATOM 0 H LYS A 42 8.671 -9.155 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 42 7.499 -11.809 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.994 -11.486 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.041 -9.931 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.176 -9.299 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.869 -9.326 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.307 -11.975 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.449 -10.970 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.880 -9.658 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.347 -11.340 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.378 -11.071 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.783 -11.620 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.091 -9.964 -8.203 1.00 0.00 H new ATOM 644 N ASP A 43 8.832 -13.013 -3.491 1.00 0.00 N ATOM 645 CA ASP A 43 9.801 -13.713 -4.341 1.00 0.00 C ATOM 646 C ASP A 43 11.196 -13.090 -4.194 1.00 0.00 C ATOM 647 O ASP A 43 12.008 -13.551 -3.391 1.00 0.00 O ATOM 648 CB ASP A 43 9.357 -13.711 -5.810 1.00 0.00 C ATOM 649 CG ASP A 43 9.076 -15.108 -6.329 1.00 0.00 C ATOM 650 OD1 ASP A 43 9.976 -15.968 -6.234 1.00 0.00 O ATOM 651 OD2 ASP A 43 7.956 -15.339 -6.829 1.00 0.00 O ATOM 0 H ASP A 43 8.129 -13.618 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 43 9.849 -14.750 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.461 -13.100 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.132 -13.248 -6.421 1.00 0.00 H new ATOM 656 N GLY A 44 11.457 -12.028 -4.959 1.00 0.00 N ATOM 657 CA GLY A 44 12.731 -11.343 -4.888 1.00 0.00 C ATOM 658 C GLY A 44 12.582 -9.825 -4.975 1.00 0.00 C ATOM 659 O GLY A 44 13.577 -9.110 -5.091 1.00 0.00 O ATOM 0 H GLY A 44 10.799 -11.631 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.229 -11.603 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.372 -11.689 -5.698 1.00 0.00 H new ATOM 663 N LEU A 45 11.339 -9.333 -4.916 1.00 0.00 N ATOM 664 CA LEU A 45 11.076 -7.893 -4.986 1.00 0.00 C ATOM 665 C LEU A 45 10.500 -7.369 -3.677 1.00 0.00 C ATOM 666 O LEU A 45 9.936 -8.120 -2.887 1.00 0.00 O ATOM 667 CB LEU A 45 10.095 -7.560 -6.116 1.00 0.00 C ATOM 668 CG LEU A 45 10.345 -8.265 -7.448 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.430 -7.705 -8.526 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.801 -8.116 -7.853 1.00 0.00 C ATOM 0 H LEU A 45 10.503 -9.909 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 45 12.034 -7.411 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.088 -7.806 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.120 -6.484 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 45 10.124 -9.326 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.621 -8.218 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.390 -7.856 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.622 -6.639 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.968 -8.622 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.043 -7.058 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.439 -8.560 -7.089 1.00 0.00 H new ATOM 682 N TYR A 46 10.621 -6.062 -3.474 1.00 0.00 N ATOM 683 CA TYR A 46 10.095 -5.416 -2.280 1.00 0.00 C ATOM 684 C TYR A 46 8.987 -4.442 -2.664 1.00 0.00 C ATOM 685 O TYR A 46 9.118 -3.690 -3.627 1.00 0.00 O ATOM 686 CB TYR A 46 11.207 -4.678 -1.532 1.00 0.00 C ATOM 687 CG TYR A 46 12.172 -5.599 -0.819 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.054 -6.395 -1.535 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.199 -5.671 0.567 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.937 -7.240 -0.890 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.079 -6.513 1.222 1.00 0.00 C ATOM 692 CZ TYR A 46 13.946 -7.294 0.489 1.00 0.00 C ATOM 693 OH TYR A 46 14.824 -8.134 1.136 1.00 0.00 O ATOM 0 H TYR A 46 11.082 -5.427 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 46 9.687 -6.182 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.762 -4.061 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.757 -4.003 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.051 -6.354 -2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.521 -5.059 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.616 -7.855 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.087 -6.558 2.301 1.00 0.00 H new ATOM 0 HH TYR A 46 14.702 -8.051 2.105 1.00 0.00 H new ATOM 703 N LYS A 47 7.894 -4.464 -1.911 1.00 0.00 N ATOM 704 CA LYS A 47 6.764 -3.585 -2.180 1.00 0.00 C ATOM 705 C LYS A 47 6.656 -2.496 -1.137 1.00 0.00 C ATOM 706 O LYS A 47 7.010 -2.691 0.021 1.00 0.00 O ATOM 707 CB LYS A 47 5.459 -4.378 -2.220 1.00 0.00 C ATOM 708 CG LYS A 47 5.201 -5.043 -3.556 1.00 0.00 C ATOM 709 CD LYS A 47 6.172 -6.181 -3.796 1.00 0.00 C ATOM 710 CE LYS A 47 5.870 -7.363 -2.895 1.00 0.00 C ATOM 711 NZ LYS A 47 4.573 -8.010 -3.239 1.00 0.00 N ATOM 0 H LYS A 47 7.767 -5.081 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 47 6.936 -3.124 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.482 -5.140 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.629 -3.710 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.179 -5.421 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.293 -4.308 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.119 -6.493 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.191 -5.836 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.673 -8.095 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.845 -7.031 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.476 -8.898 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.790 -7.371 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.546 -8.213 -4.259 1.00 0.00 H new ATOM 725 N VAL A 48 6.155 -1.349 -1.563 1.00 0.00 N ATOM 726 CA VAL A 48 5.984 -0.216 -0.678 1.00 0.00 C ATOM 727 C VAL A 48 4.522 0.219 -0.640 1.00 0.00 C ATOM 728 O VAL A 48 4.043 0.916 -1.534 1.00 0.00 O ATOM 729 CB VAL A 48 6.873 0.956 -1.116 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.724 2.130 -0.160 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.324 0.508 -1.201 1.00 0.00 C ATOM 0 H VAL A 48 5.858 -1.180 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 48 6.284 -0.522 0.324 1.00 0.00 H new ATOM 0 HB VAL A 48 6.554 1.286 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.363 2.950 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.685 2.461 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.017 1.822 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.946 1.347 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.654 0.155 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.413 -0.300 -1.928 1.00 0.00 H new ATOM 741 N GLN A 49 3.822 -0.210 0.404 1.00 0.00 N ATOM 742 CA GLN A 49 2.411 0.113 0.571 1.00 0.00 C ATOM 743 C GLN A 49 2.222 1.196 1.628 1.00 0.00 C ATOM 744 O GLN A 49 2.909 1.211 2.648 1.00 0.00 O ATOM 745 CB GLN A 49 1.632 -1.150 0.953 1.00 0.00 C ATOM 746 CG GLN A 49 0.173 -0.902 1.310 1.00 0.00 C ATOM 747 CD GLN A 49 -0.251 -1.644 2.563 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.349 -2.870 2.569 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.506 -0.899 3.634 1.00 0.00 N ATOM 0 H GLN A 49 4.212 -0.785 1.151 1.00 0.00 H new ATOM 0 HA GLN A 49 2.027 0.497 -0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.676 -1.855 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.126 -1.625 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.014 0.167 1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.459 -1.210 0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.412 0.115 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.796 -1.342 4.506 1.00 0.00 H new ATOM 758 N ILE A 50 1.273 2.090 1.380 1.00 0.00 N ATOM 759 CA ILE A 50 0.977 3.168 2.306 1.00 0.00 C ATOM 760 C ILE A 50 -0.528 3.335 2.499 1.00 0.00 C ATOM 761 O ILE A 50 -1.280 3.542 1.550 1.00 0.00 O ATOM 762 CB ILE A 50 1.617 4.488 1.851 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.293 4.787 0.384 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.122 4.404 2.061 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.243 5.856 0.206 1.00 0.00 C ATOM 0 H ILE A 50 0.694 2.087 0.540 1.00 0.00 H new ATOM 0 HA ILE A 50 1.412 2.899 3.268 1.00 0.00 H new ATOM 0 HB ILE A 50 1.207 5.305 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.205 5.096 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.953 3.871 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.587 5.337 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.333 4.237 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.526 3.578 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.063 6.016 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.683 5.540 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.589 6.785 0.660 1.00 0.00 H new ATOM 777 N GLY A 51 -0.941 3.242 3.757 1.00 0.00 N ATOM 778 CA GLY A 51 -2.340 3.383 4.112 1.00 0.00 C ATOM 779 C GLY A 51 -3.146 2.126 3.845 1.00 0.00 C ATOM 780 O GLY A 51 -3.517 1.851 2.704 1.00 0.00 O ATOM 0 H GLY A 51 -0.321 3.069 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.417 3.641 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.771 4.211 3.549 1.00 0.00 H new ATOM 784 N ALA A 52 -3.421 1.368 4.900 1.00 0.00 N ATOM 785 CA ALA A 52 -4.197 0.139 4.783 1.00 0.00 C ATOM 786 C ALA A 52 -5.394 0.175 5.725 1.00 0.00 C ATOM 787 O ALA A 52 -5.232 0.237 6.945 1.00 0.00 O ATOM 788 CB ALA A 52 -3.323 -1.070 5.078 1.00 0.00 C ATOM 0 H ALA A 52 -3.117 1.584 5.849 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.565 0.057 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.917 -1.979 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.497 -1.103 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.928 -0.995 6.091 1.00 0.00 H new ATOM 794 N PHE A 53 -6.595 0.154 5.158 1.00 0.00 N ATOM 795 CA PHE A 53 -7.813 0.202 5.961 1.00 0.00 C ATOM 796 C PHE A 53 -8.824 -0.847 5.512 1.00 0.00 C ATOM 797 O PHE A 53 -8.653 -1.494 4.475 1.00 0.00 O ATOM 798 CB PHE A 53 -8.447 1.595 5.881 1.00 0.00 C ATOM 799 CG PHE A 53 -7.448 2.715 5.777 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.729 2.912 4.609 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.229 3.566 6.847 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.811 3.941 4.511 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.312 4.597 6.755 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.603 4.784 5.584 1.00 0.00 C ATOM 0 H PHE A 53 -6.752 0.104 4.151 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.534 -0.014 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.111 1.632 5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.065 1.753 6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.887 2.255 3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.781 3.423 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.257 4.085 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.150 5.254 7.596 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.887 5.589 5.508 1.00 0.00 H new ATOM 814 N SER A 54 -9.883 -1.000 6.300 1.00 0.00 N ATOM 815 CA SER A 54 -10.937 -1.958 5.994 1.00 0.00 C ATOM 816 C SER A 54 -11.901 -1.395 4.954 1.00 0.00 C ATOM 817 O SER A 54 -12.650 -2.139 4.325 1.00 0.00 O ATOM 818 CB SER A 54 -11.702 -2.329 7.268 1.00 0.00 C ATOM 819 OG SER A 54 -12.341 -1.195 7.827 1.00 0.00 O ATOM 0 H SER A 54 -10.034 -0.470 7.158 1.00 0.00 H new ATOM 0 HA SER A 54 -10.471 -2.854 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.445 -3.094 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.015 -2.759 7.997 1.00 0.00 H new ATOM 0 HG SER A 54 -12.824 -1.458 8.638 1.00 0.00 H new ATOM 825 N SER A 55 -11.876 -0.075 4.777 1.00 0.00 N ATOM 826 CA SER A 55 -12.750 0.585 3.809 1.00 0.00 C ATOM 827 C SER A 55 -11.938 1.193 2.665 1.00 0.00 C ATOM 828 O SER A 55 -10.946 1.885 2.894 1.00 0.00 O ATOM 829 CB SER A 55 -13.580 1.670 4.496 1.00 0.00 C ATOM 830 OG SER A 55 -14.833 1.163 4.920 1.00 0.00 O ATOM 0 H SER A 55 -11.262 0.557 5.290 1.00 0.00 H new ATOM 0 HA SER A 55 -13.421 -0.166 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.034 2.061 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.735 2.503 3.810 1.00 0.00 H new ATOM 0 HG SER A 55 -15.343 1.876 5.358 1.00 0.00 H new ATOM 836 N LYS A 56 -12.370 0.926 1.437 1.00 0.00 N ATOM 837 CA LYS A 56 -11.689 1.441 0.255 1.00 0.00 C ATOM 838 C LYS A 56 -11.608 2.963 0.276 1.00 0.00 C ATOM 839 O LYS A 56 -10.594 3.542 -0.115 1.00 0.00 O ATOM 840 CB LYS A 56 -12.400 0.987 -1.014 1.00 0.00 C ATOM 841 CG LYS A 56 -11.644 1.349 -2.276 1.00 0.00 C ATOM 842 CD LYS A 56 -11.742 0.250 -3.317 1.00 0.00 C ATOM 843 CE LYS A 56 -13.180 0.016 -3.746 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.265 -0.617 -5.093 1.00 0.00 N ATOM 0 H LYS A 56 -13.190 0.355 1.234 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.675 1.041 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.541 -0.093 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.392 1.437 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.042 2.277 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.597 1.531 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.141 0.516 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.327 -0.673 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.678 -0.620 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.714 0.966 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.263 -0.759 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.813 0.002 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.778 -1.536 -5.076 1.00 0.00 H new ATOM 858 N ASP A 57 -12.682 3.606 0.729 1.00 0.00 N ATOM 859 CA ASP A 57 -12.730 5.066 0.796 1.00 0.00 C ATOM 860 C ASP A 57 -11.447 5.626 1.401 1.00 0.00 C ATOM 861 O ASP A 57 -11.002 6.717 1.046 1.00 0.00 O ATOM 862 CB ASP A 57 -13.937 5.522 1.617 1.00 0.00 C ATOM 863 CG ASP A 57 -14.029 4.815 2.955 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.043 4.865 3.721 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.084 4.209 3.236 1.00 0.00 O ATOM 0 H ASP A 57 -13.529 3.141 1.055 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.827 5.447 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.875 6.598 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.849 5.338 1.049 1.00 0.00 H new ATOM 870 N ASN A 58 -10.857 4.863 2.314 1.00 0.00 N ATOM 871 CA ASN A 58 -9.622 5.271 2.969 1.00 0.00 C ATOM 872 C ASN A 58 -8.451 5.178 1.996 1.00 0.00 C ATOM 873 O ASN A 58 -7.672 6.121 1.853 1.00 0.00 O ATOM 874 CB ASN A 58 -9.356 4.402 4.197 1.00 0.00 C ATOM 875 CG ASN A 58 -10.464 4.500 5.226 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.730 5.571 5.768 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.122 3.377 5.498 1.00 0.00 N ATOM 0 H ASN A 58 -11.215 3.957 2.617 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.729 6.307 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.244 3.363 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.413 4.702 4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.881 3.383 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.868 2.510 5.025 1.00 0.00 H new ATOM 884 N ALA A 59 -8.340 4.036 1.327 1.00 0.00 N ATOM 885 CA ALA A 59 -7.273 3.810 0.358 1.00 0.00 C ATOM 886 C ALA A 59 -7.296 4.866 -0.737 1.00 0.00 C ATOM 887 O ALA A 59 -6.254 5.385 -1.127 1.00 0.00 O ATOM 888 CB ALA A 59 -7.406 2.423 -0.243 1.00 0.00 C ATOM 0 H ALA A 59 -8.979 3.249 1.438 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.317 3.885 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.606 2.261 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.337 1.676 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.370 2.334 -0.743 1.00 0.00 H new ATOM 894 N ASP A 60 -8.487 5.178 -1.240 1.00 0.00 N ATOM 895 CA ASP A 60 -8.630 6.174 -2.294 1.00 0.00 C ATOM 896 C ASP A 60 -8.110 7.531 -1.835 1.00 0.00 C ATOM 897 O ASP A 60 -7.318 8.172 -2.528 1.00 0.00 O ATOM 898 CB ASP A 60 -10.097 6.295 -2.716 1.00 0.00 C ATOM 899 CG ASP A 60 -10.540 5.148 -3.602 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.768 4.041 -3.072 1.00 0.00 O ATOM 901 OD2 ASP A 60 -10.659 5.357 -4.828 1.00 0.00 O ATOM 0 H ASP A 60 -9.364 4.756 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.038 5.848 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.726 6.328 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.244 7.237 -3.245 1.00 0.00 H new ATOM 906 N THR A 61 -8.557 7.965 -0.661 1.00 0.00 N ATOM 907 CA THR A 61 -8.135 9.245 -0.107 1.00 0.00 C ATOM 908 C THR A 61 -6.623 9.283 0.080 1.00 0.00 C ATOM 909 O THR A 61 -5.988 10.317 -0.121 1.00 0.00 O ATOM 910 CB THR A 61 -8.832 9.502 1.229 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.215 9.207 1.139 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.699 10.929 1.712 1.00 0.00 C ATOM 0 H THR A 61 -9.212 7.448 -0.075 1.00 0.00 H new ATOM 0 HA THR A 61 -8.417 10.028 -0.811 1.00 0.00 H new ATOM 0 HB THR A 61 -8.333 8.847 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.370 8.279 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.217 11.040 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.644 11.173 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.140 11.604 0.978 1.00 0.00 H new ATOM 920 N LEU A 62 -6.050 8.144 0.454 1.00 0.00 N ATOM 921 CA LEU A 62 -4.611 8.029 0.660 1.00 0.00 C ATOM 922 C LEU A 62 -3.887 8.113 -0.657 1.00 0.00 C ATOM 923 O LEU A 62 -2.945 8.883 -0.830 1.00 0.00 O ATOM 924 CB LEU A 62 -4.272 6.669 1.254 1.00 0.00 C ATOM 925 CG LEU A 62 -3.044 6.646 2.162 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.897 7.404 1.518 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.376 7.231 3.528 1.00 0.00 C ATOM 0 H LEU A 62 -6.566 7.280 0.622 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.309 8.837 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.132 6.314 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.115 5.963 0.439 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.737 5.610 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.029 7.379 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.643 6.939 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.194 8.439 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.488 7.206 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.709 8.262 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.169 6.644 3.992 1.00 0.00 H new ATOM 939 N ALA A 63 -4.328 7.266 -1.572 1.00 0.00 N ATOM 940 CA ALA A 63 -3.720 7.183 -2.869 1.00 0.00 C ATOM 941 C ALA A 63 -3.672 8.552 -3.538 1.00 0.00 C ATOM 942 O ALA A 63 -2.601 9.049 -3.885 1.00 0.00 O ATOM 943 CB ALA A 63 -4.457 6.179 -3.744 1.00 0.00 C ATOM 0 H ALA A 63 -5.110 6.627 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.695 6.836 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.980 6.131 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.424 5.195 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.495 6.491 -3.861 1.00 0.00 H new ATOM 949 N ALA A 64 -4.846 9.160 -3.706 1.00 0.00 N ATOM 950 CA ALA A 64 -4.944 10.480 -4.320 1.00 0.00 C ATOM 951 C ALA A 64 -4.020 11.462 -3.614 1.00 0.00 C ATOM 952 O ALA A 64 -3.404 12.319 -4.247 1.00 0.00 O ATOM 953 CB ALA A 64 -6.381 10.975 -4.281 1.00 0.00 C ATOM 0 H ALA A 64 -5.741 8.758 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.634 10.404 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.439 11.961 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.020 10.281 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.716 11.039 -3.246 1.00 0.00 H new ATOM 959 N ARG A 65 -3.915 11.315 -2.296 1.00 0.00 N ATOM 960 CA ARG A 65 -3.051 12.171 -1.500 1.00 0.00 C ATOM 961 C ARG A 65 -1.598 11.944 -1.895 1.00 0.00 C ATOM 962 O ARG A 65 -0.814 12.886 -1.996 1.00 0.00 O ATOM 963 CB ARG A 65 -3.247 11.875 -0.012 1.00 0.00 C ATOM 964 CG ARG A 65 -3.045 13.081 0.886 1.00 0.00 C ATOM 965 CD ARG A 65 -3.556 12.811 2.292 1.00 0.00 C ATOM 966 NE ARG A 65 -4.407 13.891 2.782 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.280 13.756 3.778 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.416 12.590 4.398 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.018 14.790 4.158 1.00 0.00 N ATOM 0 H ARG A 65 -4.420 10.609 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.310 13.213 -1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.253 11.484 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.552 11.091 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.986 13.336 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.565 13.942 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.116 11.876 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.710 12.682 2.967 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.328 14.804 2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.850 11.791 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.087 12.493 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.917 15.689 3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.687 14.686 4.921 1.00 0.00 H new ATOM 983 N ALA A 66 -1.256 10.681 -2.136 1.00 0.00 N ATOM 984 CA ALA A 66 0.093 10.323 -2.543 1.00 0.00 C ATOM 985 C ALA A 66 0.393 10.932 -3.900 1.00 0.00 C ATOM 986 O ALA A 66 1.480 11.454 -4.132 1.00 0.00 O ATOM 987 CB ALA A 66 0.267 8.814 -2.567 1.00 0.00 C ATOM 0 H ALA A 66 -1.897 9.891 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 66 0.802 10.721 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.284 8.570 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.082 8.411 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.440 8.377 -3.273 1.00 0.00 H new ATOM 993 N LYS A 67 -0.595 10.886 -4.788 1.00 0.00 N ATOM 994 CA LYS A 67 -0.444 11.457 -6.116 1.00 0.00 C ATOM 995 C LYS A 67 -0.202 12.955 -6.002 1.00 0.00 C ATOM 996 O LYS A 67 0.714 13.499 -6.618 1.00 0.00 O ATOM 997 CB LYS A 67 -1.686 11.182 -6.963 1.00 0.00 C ATOM 998 CG LYS A 67 -1.612 9.880 -7.745 1.00 0.00 C ATOM 999 CD LYS A 67 -2.910 9.094 -7.647 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.809 7.759 -8.368 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.381 7.824 -9.740 1.00 0.00 N ATOM 0 H LYS A 67 -1.505 10.460 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 67 0.411 10.992 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.561 11.157 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.830 12.007 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.394 10.095 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.789 9.274 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.156 8.925 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.724 9.679 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.764 7.455 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.332 6.995 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.293 6.894 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.385 8.089 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.866 8.535 -10.298 1.00 0.00 H new ATOM 1015 N ASN A 68 -1.018 13.608 -5.182 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.886 15.038 -4.951 1.00 0.00 C ATOM 1017 C ASN A 68 0.388 15.318 -4.161 1.00 0.00 C ATOM 1018 O ASN A 68 0.960 16.406 -4.238 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.103 15.564 -4.188 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.335 17.044 -4.415 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.521 17.488 -5.548 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.325 17.817 -3.336 1.00 0.00 N ATOM 0 H ASN A 68 -1.779 13.167 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.829 15.549 -5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.989 15.009 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.967 15.380 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.475 18.822 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.167 17.406 -2.416 1.00 0.00 H new ATOM 1029 N ALA A 69 0.824 14.315 -3.401 1.00 0.00 N ATOM 1030 CA ALA A 69 2.027 14.419 -2.589 1.00 0.00 C ATOM 1031 C ALA A 69 3.287 14.289 -3.439 1.00 0.00 C ATOM 1032 O ALA A 69 4.364 14.732 -3.041 1.00 0.00 O ATOM 1033 CB ALA A 69 2.013 13.346 -1.512 1.00 0.00 C ATOM 0 H ALA A 69 0.353 13.413 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 69 2.038 15.405 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.915 13.427 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.137 13.479 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.977 12.362 -1.979 1.00 0.00 H new ATOM 1039 N GLY A 70 3.149 13.664 -4.604 1.00 0.00 N ATOM 1040 CA GLY A 70 4.284 13.472 -5.484 1.00 0.00 C ATOM 1041 C GLY A 70 4.668 12.010 -5.575 1.00 0.00 C ATOM 1042 O GLY A 70 5.811 11.675 -5.884 1.00 0.00 O ATOM 0 H GLY A 70 2.268 13.287 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.044 13.850 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.132 14.051 -5.119 1.00 0.00 H new ATOM 1046 N PHE A 71 3.704 11.140 -5.290 1.00 0.00 N ATOM 1047 CA PHE A 71 3.924 9.705 -5.321 1.00 0.00 C ATOM 1048 C PHE A 71 2.821 9.032 -6.132 1.00 0.00 C ATOM 1049 O PHE A 71 1.688 9.503 -6.149 1.00 0.00 O ATOM 1050 CB PHE A 71 3.921 9.153 -3.894 1.00 0.00 C ATOM 1051 CG PHE A 71 4.420 10.135 -2.866 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.634 10.778 -3.035 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.664 10.421 -1.740 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.089 11.689 -2.100 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.114 11.332 -0.800 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.327 11.967 -0.980 1.00 0.00 C ATOM 0 H PHE A 71 2.755 11.411 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 71 4.888 9.500 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.907 8.850 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.540 8.257 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.233 10.565 -3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.714 9.928 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.039 12.183 -2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.517 11.546 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.680 12.679 -0.248 1.00 0.00 H new ATOM 1066 N ASP A 72 3.147 7.934 -6.796 1.00 0.00 N ATOM 1067 CA ASP A 72 2.160 7.221 -7.596 1.00 0.00 C ATOM 1068 C ASP A 72 1.478 6.134 -6.774 1.00 0.00 C ATOM 1069 O ASP A 72 1.756 4.948 -6.952 1.00 0.00 O ATOM 1070 CB ASP A 72 2.822 6.607 -8.832 1.00 0.00 C ATOM 1071 CG ASP A 72 1.814 5.996 -9.784 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.175 6.758 -10.541 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.664 4.757 -9.776 1.00 0.00 O ATOM 0 H ASP A 72 4.079 7.519 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 72 1.402 7.936 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.392 7.375 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.532 5.841 -8.518 1.00 0.00 H new ATOM 1078 N ALA A 73 0.579 6.535 -5.876 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.134 5.578 -5.036 1.00 0.00 C ATOM 1080 C ALA A 73 -1.376 5.030 -5.728 1.00 0.00 C ATOM 1081 O ALA A 73 -2.108 5.763 -6.396 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.523 6.222 -3.716 1.00 0.00 C ATOM 0 H ALA A 73 0.329 7.510 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 73 0.542 4.743 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.054 5.497 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.375 6.553 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.169 7.079 -3.906 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.613 3.737 -5.544 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.771 3.071 -6.124 1.00 0.00 C ATOM 1090 C ILE A 74 -3.466 2.220 -5.065 1.00 0.00 C ATOM 1091 O ILE A 74 -2.825 1.747 -4.131 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.376 2.176 -7.314 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.345 1.134 -6.880 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.836 3.024 -8.456 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.583 -0.236 -7.474 1.00 0.00 C ATOM 0 H ILE A 74 -1.012 3.125 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.448 3.845 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.264 1.651 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.351 1.477 -7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.355 1.056 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.561 2.378 -9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.602 3.729 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.958 3.573 -8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.814 -0.924 -7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.563 -0.600 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.544 -0.173 -8.561 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.768 2.022 -5.214 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.518 1.220 -4.254 1.00 0.00 C ATOM 1109 C VAL A 75 -5.801 -0.171 -4.804 1.00 0.00 C ATOM 1110 O VAL A 75 -6.163 -0.328 -5.970 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.845 1.899 -3.857 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.662 0.998 -2.938 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.573 3.239 -3.191 1.00 0.00 C ATOM 0 H VAL A 75 -5.323 2.400 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.896 1.131 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.427 2.073 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.593 1.498 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.886 0.063 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.091 0.788 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.518 3.707 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.971 3.085 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.035 3.887 -3.883 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.632 -1.177 -3.954 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.865 -2.555 -4.350 1.00 0.00 C ATOM 1125 C ILE A 76 -6.621 -3.316 -3.262 1.00 0.00 C ATOM 1126 O ILE A 76 -6.297 -3.215 -2.076 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.540 -3.283 -4.650 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.809 -4.712 -5.125 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.645 -3.286 -3.420 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.551 -5.493 -5.440 1.00 0.00 C ATOM 0 H ILE A 76 -5.334 -1.061 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.468 -2.530 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.025 -2.749 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.372 -5.241 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.438 -4.678 -6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.714 -3.804 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.427 -2.259 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.153 -3.797 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.819 -6.497 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.997 -4.987 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.930 -5.559 -4.546 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.628 -4.077 -3.682 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.435 -4.861 -2.763 1.00 0.00 C ATOM 1144 C LEU A 77 -7.906 -6.293 -2.691 1.00 0.00 C ATOM 1145 O LEU A 77 -8.090 -7.077 -3.621 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.897 -4.847 -3.218 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.795 -5.905 -2.579 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.155 -5.512 -1.155 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.052 -6.109 -3.411 1.00 0.00 C ATOM 0 H LEU A 77 -7.903 -4.165 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.375 -4.423 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.316 -3.863 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.924 -4.978 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.247 -6.847 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.795 -6.278 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.245 -5.417 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.684 -4.559 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.680 -6.866 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.602 -5.170 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.776 -6.437 -4.413 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.248 -6.624 -1.586 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.691 -7.959 -1.402 1.00 0.00 C ATOM 1163 C GLU A 78 -7.695 -8.880 -0.717 1.00 0.00 C ATOM 1164 O GLU A 78 -7.902 -8.799 0.494 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.403 -7.885 -0.575 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.213 -7.346 -1.352 1.00 0.00 C ATOM 1167 CD GLU A 78 -2.998 -8.250 -1.261 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.462 -8.414 -0.146 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.584 -8.792 -2.307 1.00 0.00 O ATOM 0 H GLU A 78 -7.087 -5.988 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.463 -8.369 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.575 -7.252 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.162 -8.881 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.492 -7.224 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.954 -6.357 -0.973 1.00 0.00 H new ATOM 1176 N SER A 79 -8.313 -9.756 -1.501 1.00 0.00 N ATOM 1177 CA SER A 79 -9.296 -10.697 -0.972 1.00 0.00 C ATOM 1178 C SER A 79 -8.815 -12.135 -1.136 1.00 0.00 C ATOM 1179 O SER A 79 -7.962 -12.377 -2.018 1.00 0.00 O ATOM 1180 CB SER A 79 -10.639 -10.512 -1.678 1.00 0.00 C ATOM 1181 OG SER A 79 -11.469 -9.611 -0.967 1.00 0.00 O ATOM 1182 OXT SER A 79 -9.295 -13.008 -0.386 1.00 0.00 O ATOM 0 H SER A 79 -8.152 -9.835 -2.505 1.00 0.00 H new ATOM 0 HA SER A 79 -9.422 -10.495 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.474 -10.139 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.140 -11.476 -1.772 1.00 0.00 H new ATOM 0 HG SER A 79 -11.428 -8.727 -1.388 1.00 0.00 H new TER 1188 SER A 79