USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 532 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 MET CE :methyl 163:sc= -0.0382 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0492 (180deg=-0.164) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.134 (180deg=-0.501) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1) USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00968 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.69! X(o=-2.7!,f=-2.6) USER MOD Single : A 13 SER OG : rot 38:sc= 0.136 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -105:sc= 0.418! (180deg=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc=-0.00481 (180deg=-0.425) USER MOD Single : A 28 MET CE :methyl -172:sc= -0.652 (180deg=-0.745) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.165 F(o=-0.98,f=-0.16) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.0218 (180deg=-0.48) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -4.23! C(o=-4.2!,f=-9.6!) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 51 MET CE :methyl -167:sc=-0.00361 (180deg=-0.197) USER MOD Single : A 55 THR OG1 : rot 105:sc= 0.229 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 1.21 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.399 0.658 -1.812 1.00 0.00 N ATOM 2 CA MET A 1 3.544 -0.267 -0.664 1.00 0.00 C ATOM 3 C MET A 1 2.999 -1.645 -1.031 1.00 0.00 C ATOM 4 O MET A 1 2.212 -1.777 -1.970 1.00 0.00 O ATOM 5 CB MET A 1 2.841 0.299 0.581 1.00 0.00 C ATOM 6 CG MET A 1 1.342 0.511 0.414 1.00 0.00 C ATOM 7 SD MET A 1 0.591 1.328 1.839 1.00 0.00 S ATOM 8 CE MET A 1 1.259 2.984 1.678 1.00 0.00 C ATOM 0 H1 MET A 1 3.026 1.570 -1.478 1.00 0.00 H new ATOM 0 H2 MET A 1 4.327 0.806 -2.258 1.00 0.00 H new ATOM 0 H3 MET A 1 2.742 0.249 -2.507 1.00 0.00 H new ATOM 0 HA MET A 1 4.602 -0.371 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.009 -0.379 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.303 1.250 0.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.161 1.109 -0.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.858 -0.453 0.256 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.671 3.674 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.294 2.993 2.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.218 3.293 0.633 1.00 0.00 H new ATOM 18 N LYS A 2 3.386 -2.661 -0.268 1.00 0.00 N ATOM 19 CA LYS A 2 3.246 -4.048 -0.695 1.00 0.00 C ATOM 20 C LYS A 2 2.079 -4.742 -0.007 1.00 0.00 C ATOM 21 O LYS A 2 1.964 -4.730 1.224 1.00 0.00 O ATOM 22 CB LYS A 2 4.548 -4.804 -0.401 1.00 0.00 C ATOM 23 CG LYS A 2 4.536 -6.270 -0.825 1.00 0.00 C ATOM 24 CD LYS A 2 5.877 -6.946 -0.544 1.00 0.00 C ATOM 25 CE LYS A 2 5.893 -8.397 -1.011 1.00 0.00 C ATOM 26 NZ LYS A 2 7.220 -9.032 -0.801 1.00 0.00 N ATOM 0 H LYS A 2 3.802 -2.548 0.656 1.00 0.00 H new ATOM 0 HA LYS A 2 3.042 -4.051 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.370 -4.299 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.752 -4.749 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.744 -6.797 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.308 -6.340 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.673 -6.395 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.086 -6.907 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.132 -8.960 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.633 -8.441 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.189 -10.018 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.943 -8.510 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.457 -9.013 0.211 1.00 0.00 H new ATOM 40 N VAL A 3 1.217 -5.340 -0.817 1.00 0.00 N ATOM 41 CA VAL A 3 0.169 -6.219 -0.330 1.00 0.00 C ATOM 42 C VAL A 3 0.029 -7.411 -1.273 1.00 0.00 C ATOM 43 O VAL A 3 -0.074 -7.245 -2.490 1.00 0.00 O ATOM 44 CB VAL A 3 -1.187 -5.484 -0.175 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.726 -5.003 -1.521 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.199 -6.372 0.541 1.00 0.00 C ATOM 0 H VAL A 3 1.226 -5.228 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 3 0.454 -6.567 0.663 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.018 -4.598 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.677 -4.493 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.013 -4.314 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.873 -5.858 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.145 -5.839 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.355 -7.284 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.821 -6.629 1.531 1.00 0.00 H new ATOM 56 N MET A 4 0.070 -8.612 -0.714 1.00 0.00 N ATOM 57 CA MET A 4 0.009 -9.836 -1.503 1.00 0.00 C ATOM 58 C MET A 4 -1.328 -10.539 -1.294 1.00 0.00 C ATOM 59 O MET A 4 -1.612 -11.049 -0.209 1.00 0.00 O ATOM 60 CB MET A 4 1.176 -10.761 -1.129 1.00 0.00 C ATOM 61 CG MET A 4 1.220 -12.062 -1.920 1.00 0.00 C ATOM 62 SD MET A 4 2.719 -13.016 -1.595 1.00 0.00 S ATOM 63 CE MET A 4 2.592 -13.265 0.176 1.00 0.00 C ATOM 0 H MET A 4 0.146 -8.766 0.291 1.00 0.00 H new ATOM 0 HA MET A 4 0.095 -9.580 -2.559 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.113 -10.225 -1.281 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.112 -10.997 -0.067 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.347 -12.665 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.159 -11.839 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.272 -14.060 0.481 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.857 -12.343 0.693 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.570 -13.543 0.432 1.00 0.00 H new ATOM 73 N ILE A 5 -2.149 -10.542 -2.336 1.00 0.00 N ATOM 74 CA ILE A 5 -3.464 -11.168 -2.292 1.00 0.00 C ATOM 75 C ILE A 5 -3.352 -12.664 -2.579 1.00 0.00 C ATOM 76 O ILE A 5 -2.707 -13.069 -3.550 1.00 0.00 O ATOM 77 CB ILE A 5 -4.424 -10.528 -3.330 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.486 -8.998 -3.153 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.820 -11.143 -3.225 1.00 0.00 C ATOM 80 CD1 ILE A 5 -5.018 -8.549 -1.807 1.00 0.00 C ATOM 0 H ILE A 5 -1.923 -10.112 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.867 -11.013 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.033 -10.736 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.486 -8.587 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.115 -8.578 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.478 -10.681 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.761 -12.215 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.218 -10.973 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.029 -7.460 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.031 -8.927 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.377 -8.936 -1.015 1.00 0.00 H new ATOM 92 N ARG A 6 -3.983 -13.479 -1.741 1.00 0.00 N ATOM 93 CA ARG A 6 -4.023 -14.923 -1.949 1.00 0.00 C ATOM 94 C ARG A 6 -5.326 -15.297 -2.651 1.00 0.00 C ATOM 95 O ARG A 6 -6.417 -15.005 -2.148 1.00 0.00 O ATOM 96 CB ARG A 6 -3.938 -15.690 -0.621 1.00 0.00 C ATOM 97 CG ARG A 6 -2.684 -15.425 0.213 1.00 0.00 C ATOM 98 CD ARG A 6 -2.631 -16.363 1.419 1.00 0.00 C ATOM 99 NE ARG A 6 -1.512 -16.077 2.320 1.00 0.00 N ATOM 100 CZ ARG A 6 -0.617 -16.988 2.712 1.00 0.00 C ATOM 101 NH1 ARG A 6 -0.606 -18.198 2.162 1.00 0.00 N ATOM 102 NH2 ARG A 6 0.275 -16.679 3.641 1.00 0.00 N ATOM 0 H ARG A 6 -4.477 -13.162 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.163 -15.197 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.812 -15.440 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.993 -16.758 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.795 -15.565 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.678 -14.389 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.566 -16.285 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.554 -17.392 1.068 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.410 -15.124 2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.283 -18.435 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.080 -18.890 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.278 -15.747 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.959 -17.373 3.942 1.00 0.00 H new ATOM 116 N LYS A 7 -5.207 -15.926 -3.812 1.00 0.00 N ATOM 117 CA LYS A 7 -6.367 -16.380 -4.569 1.00 0.00 C ATOM 118 C LYS A 7 -6.701 -17.828 -4.213 1.00 0.00 C ATOM 119 O LYS A 7 -5.907 -18.738 -4.464 1.00 0.00 O ATOM 120 CB LYS A 7 -6.098 -16.247 -6.075 1.00 0.00 C ATOM 121 CG LYS A 7 -6.172 -14.812 -6.599 1.00 0.00 C ATOM 122 CD LYS A 7 -7.612 -14.302 -6.660 1.00 0.00 C ATOM 123 CE LYS A 7 -8.469 -15.171 -7.577 1.00 0.00 C ATOM 124 NZ LYS A 7 -9.872 -14.689 -7.675 1.00 0.00 N ATOM 0 H LYS A 7 -4.312 -16.135 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.222 -15.756 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.110 -16.652 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.820 -16.858 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.582 -14.159 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.728 -14.765 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.040 -14.294 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.621 -13.273 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.025 -15.190 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.466 -16.196 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.439 -15.377 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.270 -14.582 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.890 -13.770 -8.162 1.00 0.00 H new ATOM 138 N THR A 8 -7.877 -18.022 -3.628 1.00 0.00 N ATOM 139 CA THR A 8 -8.356 -19.345 -3.244 1.00 0.00 C ATOM 140 C THR A 8 -9.887 -19.353 -3.259 1.00 0.00 C ATOM 141 O THR A 8 -10.525 -18.506 -2.627 1.00 0.00 O ATOM 142 CB THR A 8 -7.838 -19.749 -1.840 1.00 0.00 C ATOM 143 OG1 THR A 8 -6.401 -19.738 -1.827 1.00 0.00 O ATOM 144 CG2 THR A 8 -8.340 -21.134 -1.438 1.00 0.00 C ATOM 0 H THR A 8 -8.526 -17.267 -3.406 1.00 0.00 H new ATOM 0 HA THR A 8 -7.974 -20.072 -3.961 1.00 0.00 H new ATOM 0 HB THR A 8 -8.220 -19.024 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.080 -19.993 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.958 -21.386 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.430 -21.134 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.991 -21.872 -2.161 1.00 0.00 H new ATOM 152 N ALA A 9 -10.468 -20.316 -3.973 1.00 0.00 N ATOM 153 CA ALA A 9 -11.915 -20.359 -4.203 1.00 0.00 C ATOM 154 C ALA A 9 -12.699 -20.758 -2.947 1.00 0.00 C ATOM 155 O ALA A 9 -13.918 -20.916 -3.002 1.00 0.00 O ATOM 156 CB ALA A 9 -12.227 -21.311 -5.353 1.00 0.00 C ATOM 0 H ALA A 9 -9.955 -21.084 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.235 -19.350 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.304 -21.339 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.729 -20.964 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.872 -22.311 -5.104 1.00 0.00 H new ATOM 162 N THR A 10 -12.005 -20.929 -1.825 1.00 0.00 N ATOM 163 CA THR A 10 -12.660 -21.248 -0.556 1.00 0.00 C ATOM 164 C THR A 10 -12.235 -20.290 0.557 1.00 0.00 C ATOM 165 O THR A 10 -12.706 -20.399 1.690 1.00 0.00 O ATOM 166 CB THR A 10 -12.358 -22.704 -0.121 1.00 0.00 C ATOM 167 OG1 THR A 10 -10.973 -23.011 -0.360 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.247 -23.697 -0.863 1.00 0.00 C ATOM 0 H THR A 10 -10.990 -20.852 -1.767 1.00 0.00 H new ATOM 0 HA THR A 10 -13.732 -21.137 -0.721 1.00 0.00 H new ATOM 0 HB THR A 10 -12.569 -22.790 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.789 -23.932 -0.081 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.012 -24.710 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.293 -23.480 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.072 -23.611 -1.935 1.00 0.00 H new ATOM 176 N GLY A 11 -11.356 -19.344 0.233 1.00 0.00 N ATOM 177 CA GLY A 11 -10.856 -18.426 1.240 1.00 0.00 C ATOM 178 C GLY A 11 -9.881 -17.416 0.672 1.00 0.00 C ATOM 179 O GLY A 11 -8.718 -17.733 0.424 1.00 0.00 O ATOM 0 H GLY A 11 -10.983 -19.198 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.695 -17.900 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.367 -18.992 2.032 1.00 0.00 H new ATOM 183 N HIS A 12 -10.361 -16.201 0.454 1.00 0.00 N ATOM 184 CA HIS A 12 -9.521 -15.111 -0.029 1.00 0.00 C ATOM 185 C HIS A 12 -8.751 -14.512 1.147 1.00 0.00 C ATOM 186 O HIS A 12 -9.279 -14.424 2.257 1.00 0.00 O ATOM 187 CB HIS A 12 -10.373 -14.024 -0.701 1.00 0.00 C ATOM 188 CG HIS A 12 -11.227 -14.515 -1.830 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.527 -14.939 -1.658 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.971 -14.628 -3.156 1.00 0.00 C ATOM 191 CE1 HIS A 12 -13.030 -15.294 -2.825 1.00 0.00 C ATOM 192 NE2 HIS A 12 -12.108 -15.115 -3.749 1.00 0.00 N ATOM 0 H HIS A 12 -11.336 -15.942 0.605 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.823 -15.504 -0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.015 -13.566 0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.713 -13.242 -1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.045 -14.381 -3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.029 -15.668 -2.994 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.221 -15.307 -4.744 1.00 0.00 H new ATOM 201 N SER A 13 -7.513 -14.102 0.910 1.00 0.00 N ATOM 202 CA SER A 13 -6.684 -13.522 1.962 1.00 0.00 C ATOM 203 C SER A 13 -5.827 -12.396 1.393 1.00 0.00 C ATOM 204 O SER A 13 -5.653 -12.299 0.175 1.00 0.00 O ATOM 205 CB SER A 13 -5.803 -14.606 2.602 1.00 0.00 C ATOM 206 OG SER A 13 -5.019 -14.079 3.659 1.00 0.00 O ATOM 0 H SER A 13 -7.059 -14.159 -0.001 1.00 0.00 H new ATOM 0 HA SER A 13 -7.331 -13.106 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.432 -15.412 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.150 -15.040 1.845 1.00 0.00 H new ATOM 0 HG SER A 13 -5.544 -13.419 4.158 1.00 0.00 H new ATOM 212 N ALA A 14 -5.303 -11.547 2.273 1.00 0.00 N ATOM 213 CA ALA A 14 -4.480 -10.413 1.861 1.00 0.00 C ATOM 214 C ALA A 14 -3.388 -10.140 2.889 1.00 0.00 C ATOM 215 O ALA A 14 -3.678 -9.922 4.069 1.00 0.00 O ATOM 216 CB ALA A 14 -5.343 -9.170 1.664 1.00 0.00 C ATOM 0 H ALA A 14 -5.435 -11.624 3.282 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.006 -10.662 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.713 -8.335 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.090 -9.364 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.843 -8.922 2.600 1.00 0.00 H new ATOM 222 N TYR A 15 -2.137 -10.163 2.437 1.00 0.00 N ATOM 223 CA TYR A 15 -0.993 -9.895 3.299 1.00 0.00 C ATOM 224 C TYR A 15 -0.469 -8.477 3.071 1.00 0.00 C ATOM 225 O TYR A 15 0.205 -8.203 2.076 1.00 0.00 O ATOM 226 CB TYR A 15 0.120 -10.924 3.040 1.00 0.00 C ATOM 227 CG TYR A 15 1.404 -10.659 3.809 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.408 -10.612 5.200 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.609 -10.449 3.145 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.571 -10.366 5.903 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.775 -10.203 3.843 1.00 0.00 C ATOM 232 CZ TYR A 15 3.751 -10.163 5.221 1.00 0.00 C ATOM 233 OH TYR A 15 4.909 -9.917 5.919 1.00 0.00 O ATOM 0 H TYR A 15 -1.890 -10.367 1.469 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.314 -9.980 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.249 -11.916 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.345 -10.939 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.486 -10.771 5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.633 -10.479 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.556 -10.333 6.982 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.702 -10.043 3.312 1.00 0.00 H new ATOM 0 HH TYR A 15 5.651 -9.797 5.290 1.00 0.00 H new ATOM 243 N VAL A 16 -0.799 -7.581 3.991 1.00 0.00 N ATOM 244 CA VAL A 16 -0.309 -6.210 3.966 1.00 0.00 C ATOM 245 C VAL A 16 1.077 -6.145 4.613 1.00 0.00 C ATOM 246 O VAL A 16 1.197 -6.098 5.840 1.00 0.00 O ATOM 247 CB VAL A 16 -1.279 -5.256 4.712 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.815 -3.807 4.601 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.706 -5.415 4.188 1.00 0.00 C ATOM 0 H VAL A 16 -1.416 -7.785 4.778 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.245 -5.889 2.926 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.274 -5.528 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.513 -3.160 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.178 -3.708 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.778 -3.516 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.369 -4.737 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.731 -5.180 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.037 -6.442 4.340 1.00 0.00 H new ATOM 259 N ALA A 17 2.115 -6.149 3.780 1.00 0.00 N ATOM 260 CA ALA A 17 3.499 -6.225 4.255 1.00 0.00 C ATOM 261 C ALA A 17 3.868 -5.032 5.139 1.00 0.00 C ATOM 262 O ALA A 17 4.548 -5.191 6.156 1.00 0.00 O ATOM 263 CB ALA A 17 4.455 -6.324 3.071 1.00 0.00 C ATOM 0 H ALA A 17 2.025 -6.100 2.765 1.00 0.00 H new ATOM 0 HA ALA A 17 3.589 -7.123 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.481 -6.380 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.226 -7.219 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.342 -5.444 2.438 1.00 0.00 H new ATOM 269 N LYS A 18 3.400 -3.842 4.759 1.00 0.00 N ATOM 270 CA LYS A 18 3.733 -2.612 5.486 1.00 0.00 C ATOM 271 C LYS A 18 3.061 -2.562 6.860 1.00 0.00 C ATOM 272 O LYS A 18 3.308 -1.650 7.646 1.00 0.00 O ATOM 273 CB LYS A 18 3.370 -1.369 4.644 1.00 0.00 C ATOM 274 CG LYS A 18 1.918 -1.308 4.153 1.00 0.00 C ATOM 275 CD LYS A 18 0.932 -0.869 5.240 1.00 0.00 C ATOM 276 CE LYS A 18 1.214 0.545 5.742 1.00 0.00 C ATOM 277 NZ LYS A 18 1.111 1.550 4.653 1.00 0.00 N ATOM 0 H LYS A 18 2.790 -3.702 3.954 1.00 0.00 H new ATOM 0 HA LYS A 18 4.810 -2.611 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.573 -0.477 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.030 -1.332 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.854 -0.617 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.625 -2.290 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.084 -0.917 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.983 -1.566 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.510 0.796 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.212 0.583 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.064 1.854 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.625 1.128 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.571 2.373 4.990 1.00 0.00 H new ATOM 291 N LYS A 19 2.206 -3.540 7.137 1.00 0.00 N ATOM 292 CA LYS A 19 1.510 -3.618 8.420 1.00 0.00 C ATOM 293 C LYS A 19 1.654 -5.028 8.997 1.00 0.00 C ATOM 294 O LYS A 19 0.998 -5.376 9.978 1.00 0.00 O ATOM 295 CB LYS A 19 0.024 -3.254 8.228 1.00 0.00 C ATOM 296 CG LYS A 19 -0.756 -3.061 9.530 1.00 0.00 C ATOM 297 CD LYS A 19 -2.223 -2.723 9.268 1.00 0.00 C ATOM 298 CE LYS A 19 -2.989 -2.465 10.563 1.00 0.00 C ATOM 299 NZ LYS A 19 -3.010 -3.657 11.455 1.00 0.00 N ATOM 0 H LYS A 19 1.976 -4.293 6.489 1.00 0.00 H new ATOM 0 HA LYS A 19 1.951 -2.909 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.039 -2.337 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.457 -4.039 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.694 -3.969 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.298 -2.262 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.284 -1.842 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.693 -3.543 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.534 -1.627 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.012 -2.174 10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.944 -3.738 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.820 -4.513 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.280 -3.554 12.189 1.00 0.00 H new ATOM 313 N ASP A 20 2.538 -5.827 8.372 1.00 0.00 N ATOM 314 CA ASP A 20 2.746 -7.248 8.719 1.00 0.00 C ATOM 315 C ASP A 20 1.416 -7.958 8.989 1.00 0.00 C ATOM 316 O ASP A 20 1.352 -8.938 9.731 1.00 0.00 O ATOM 317 CB ASP A 20 3.721 -7.415 9.912 1.00 0.00 C ATOM 318 CG ASP A 20 3.207 -6.855 11.236 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.425 -5.653 11.505 1.00 0.00 O ATOM 320 OD2 ASP A 20 2.615 -7.618 12.033 1.00 0.00 O ATOM 0 H ASP A 20 3.132 -5.505 7.608 1.00 0.00 H new ATOM 0 HA ASP A 20 3.208 -7.723 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.938 -8.475 10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.663 -6.924 9.666 1.00 0.00 H new ATOM 325 N LEU A 21 0.367 -7.481 8.326 1.00 0.00 N ATOM 326 CA LEU A 21 -0.990 -7.958 8.554 1.00 0.00 C ATOM 327 C LEU A 21 -1.403 -8.944 7.472 1.00 0.00 C ATOM 328 O LEU A 21 -1.208 -8.686 6.289 1.00 0.00 O ATOM 329 CB LEU A 21 -1.961 -6.766 8.565 1.00 0.00 C ATOM 330 CG LEU A 21 -3.458 -7.121 8.593 1.00 0.00 C ATOM 331 CD1 LEU A 21 -3.818 -7.877 9.868 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.310 -5.862 8.445 1.00 0.00 C ATOM 0 H LEU A 21 0.435 -6.752 7.615 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.022 -8.467 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.737 -6.148 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.768 -6.156 7.682 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.668 -7.777 7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.882 -8.115 9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.240 -8.800 9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.590 -7.257 10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.366 -6.132 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.094 -5.178 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.080 -5.376 7.497 1.00 0.00 H new ATOM 344 N GLU A 22 -1.962 -10.071 7.881 1.00 0.00 N ATOM 345 CA GLU A 22 -2.577 -11.009 6.952 1.00 0.00 C ATOM 346 C GLU A 22 -3.923 -11.444 7.511 1.00 0.00 C ATOM 347 O GLU A 22 -3.987 -12.114 8.544 1.00 0.00 O ATOM 348 CB GLU A 22 -1.676 -12.225 6.703 1.00 0.00 C ATOM 349 CG GLU A 22 -2.215 -13.172 5.632 1.00 0.00 C ATOM 350 CD GLU A 22 -1.227 -14.263 5.254 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.111 -15.254 6.006 1.00 0.00 O ATOM 352 OE2 GLU A 22 -0.551 -14.130 4.211 1.00 0.00 O ATOM 0 H GLU A 22 -2.003 -10.361 8.858 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.719 -10.514 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.686 -11.879 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.555 -12.775 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.136 -13.632 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.472 -12.597 4.742 1.00 0.00 H new ATOM 359 N GLU A 23 -4.994 -11.039 6.839 1.00 0.00 N ATOM 360 CA GLU A 23 -6.349 -11.312 7.306 1.00 0.00 C ATOM 361 C GLU A 23 -7.178 -11.919 6.178 1.00 0.00 C ATOM 362 O GLU A 23 -6.798 -11.847 5.004 1.00 0.00 O ATOM 363 CB GLU A 23 -6.999 -10.013 7.819 1.00 0.00 C ATOM 364 CG GLU A 23 -8.330 -10.211 8.539 1.00 0.00 C ATOM 365 CD GLU A 23 -8.226 -11.153 9.728 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.371 -12.378 9.533 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.005 -10.671 10.860 1.00 0.00 O ATOM 0 H GLU A 23 -4.950 -10.517 5.964 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.308 -12.027 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.304 -9.518 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.154 -9.341 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.700 -9.244 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.063 -10.603 7.834 1.00 0.00 H new ATOM 374 N LEU A 24 -8.302 -12.525 6.539 1.00 0.00 N ATOM 375 CA LEU A 24 -9.203 -13.123 5.564 1.00 0.00 C ATOM 376 C LEU A 24 -10.063 -12.050 4.899 1.00 0.00 C ATOM 377 O LEU A 24 -10.630 -11.185 5.573 1.00 0.00 O ATOM 378 CB LEU A 24 -10.101 -14.176 6.233 1.00 0.00 C ATOM 379 CG LEU A 24 -9.360 -15.365 6.869 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.349 -16.333 7.517 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.495 -16.084 5.834 1.00 0.00 C ATOM 0 H LEU A 24 -8.612 -12.615 7.507 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.599 -13.612 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.695 -13.685 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.799 -14.560 5.489 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.702 -14.978 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.805 -17.167 7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.912 -15.813 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.037 -16.711 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.981 -16.921 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.127 -16.456 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.760 -15.389 5.429 1.00 0.00 H new ATOM 393 N ILE A 25 -10.137 -12.104 3.575 1.00 0.00 N ATOM 394 CA ILE A 25 -10.992 -11.209 2.810 1.00 0.00 C ATOM 395 C ILE A 25 -12.442 -11.676 2.911 1.00 0.00 C ATOM 396 O ILE A 25 -12.856 -12.611 2.221 1.00 0.00 O ATOM 397 CB ILE A 25 -10.549 -11.143 1.323 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.166 -10.475 1.208 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.586 -10.414 0.468 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.625 -10.407 -0.206 1.00 0.00 C ATOM 0 H ILE A 25 -9.609 -12.765 3.005 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.904 -10.206 3.227 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.472 -12.162 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.229 -9.464 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.458 -11.022 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.247 -10.384 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.539 -10.941 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.712 -9.397 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.648 -9.923 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.527 -11.416 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.310 -9.833 -0.830 1.00 0.00 H new ATOM 412 N VAL A 26 -13.191 -11.051 3.811 1.00 0.00 N ATOM 413 CA VAL A 26 -14.587 -11.411 4.043 1.00 0.00 C ATOM 414 C VAL A 26 -15.511 -10.634 3.110 1.00 0.00 C ATOM 415 O VAL A 26 -16.578 -11.119 2.730 1.00 0.00 O ATOM 416 CB VAL A 26 -14.999 -11.160 5.514 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.203 -12.063 6.456 1.00 0.00 C ATOM 418 CG2 VAL A 26 -14.812 -9.688 5.887 1.00 0.00 C ATOM 0 H VAL A 26 -12.853 -10.287 4.396 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.685 -12.476 3.834 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.056 -11.403 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.506 -11.872 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.396 -13.107 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.139 -11.855 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.108 -9.535 6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.765 -9.412 5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.430 -9.067 5.239 1.00 0.00 H new ATOM 428 N GLU A 27 -15.093 -9.429 2.741 1.00 0.00 N ATOM 429 CA GLU A 27 -15.862 -8.588 1.833 1.00 0.00 C ATOM 430 C GLU A 27 -15.010 -8.218 0.627 1.00 0.00 C ATOM 431 O GLU A 27 -13.820 -7.928 0.766 1.00 0.00 O ATOM 432 CB GLU A 27 -16.347 -7.320 2.548 1.00 0.00 C ATOM 433 CG GLU A 27 -17.199 -6.402 1.675 1.00 0.00 C ATOM 434 CD GLU A 27 -18.481 -7.066 1.198 1.00 0.00 C ATOM 435 OE1 GLU A 27 -18.461 -7.717 0.133 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.514 -6.945 1.889 1.00 0.00 O ATOM 0 H GLU A 27 -14.219 -9.010 3.060 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.736 -9.146 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.925 -7.609 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.481 -6.763 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.449 -5.502 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.615 -6.086 0.810 1.00 0.00 H new ATOM 443 N MET A 28 -15.624 -8.229 -0.546 1.00 0.00 N ATOM 444 CA MET A 28 -14.935 -7.930 -1.793 1.00 0.00 C ATOM 445 C MET A 28 -15.903 -7.315 -2.795 1.00 0.00 C ATOM 446 O MET A 28 -17.098 -7.617 -2.781 1.00 0.00 O ATOM 447 CB MET A 28 -14.267 -9.196 -2.371 1.00 0.00 C ATOM 448 CG MET A 28 -15.011 -10.496 -2.074 1.00 0.00 C ATOM 449 SD MET A 28 -16.722 -10.486 -2.639 1.00 0.00 S ATOM 450 CE MET A 28 -17.294 -12.065 -2.015 1.00 0.00 C ATOM 0 H MET A 28 -16.614 -8.445 -0.661 1.00 0.00 H new ATOM 0 HA MET A 28 -14.147 -7.205 -1.588 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.176 -9.083 -3.451 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.255 -9.272 -1.972 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.484 -11.324 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.992 -10.680 -1.000 1.00 0.00 H new ATOM 0 HE1 MET A 28 -18.292 -12.270 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.611 -12.852 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 28 -17.328 -12.035 -0.926 1.00 0.00 H new ATOM 460 N GLU A 29 -15.381 -6.429 -3.640 1.00 0.00 N ATOM 461 CA GLU A 29 -16.186 -5.751 -4.653 1.00 0.00 C ATOM 462 C GLU A 29 -16.909 -6.767 -5.538 1.00 0.00 C ATOM 463 O GLU A 29 -18.088 -6.604 -5.862 1.00 0.00 O ATOM 464 CB GLU A 29 -15.295 -4.852 -5.519 1.00 0.00 C ATOM 465 CG GLU A 29 -16.074 -3.869 -6.385 1.00 0.00 C ATOM 466 CD GLU A 29 -16.789 -2.814 -5.560 1.00 0.00 C ATOM 467 OE1 GLU A 29 -16.156 -1.795 -5.216 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.981 -3.002 -5.239 1.00 0.00 O ATOM 0 H GLU A 29 -14.396 -6.162 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.931 -5.138 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.618 -4.295 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.677 -5.479 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.391 -3.381 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.803 -4.415 -6.984 1.00 0.00 H new ATOM 475 N ASN A 30 -16.187 -7.812 -5.921 1.00 0.00 N ATOM 476 CA ASN A 30 -16.729 -8.878 -6.758 1.00 0.00 C ATOM 477 C ASN A 30 -16.373 -10.232 -6.147 1.00 0.00 C ATOM 478 O ASN A 30 -15.288 -10.382 -5.579 1.00 0.00 O ATOM 479 CB ASN A 30 -16.175 -8.785 -8.191 1.00 0.00 C ATOM 480 CG ASN A 30 -16.571 -7.504 -8.922 1.00 0.00 C ATOM 481 OD1 ASN A 30 -17.752 -6.975 -8.630 1.00 0.00 O flip ATOM 482 ND2 ASN A 30 -15.823 -7.000 -9.758 1.00 0.00 N flip ATOM 0 H ASN A 30 -15.210 -7.946 -5.661 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.813 -8.770 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.088 -8.851 -8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.528 -9.643 -8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.921 -7.431 -9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.105 -6.151 -10.249 1.00 0.00 H new ATOM 489 N PRO A 31 -17.273 -11.235 -6.262 1.00 0.00 N ATOM 490 CA PRO A 31 -17.075 -12.567 -5.666 1.00 0.00 C ATOM 491 C PRO A 31 -15.716 -13.178 -6.018 1.00 0.00 C ATOM 492 O PRO A 31 -15.182 -14.000 -5.267 1.00 0.00 O ATOM 493 CB PRO A 31 -18.227 -13.413 -6.250 1.00 0.00 C ATOM 494 CG PRO A 31 -18.819 -12.584 -7.346 1.00 0.00 C ATOM 495 CD PRO A 31 -18.559 -11.154 -6.971 1.00 0.00 C ATOM 0 HA PRO A 31 -17.083 -12.521 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.859 -14.365 -6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -18.971 -13.643 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.363 -12.824 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -19.888 -12.773 -7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.498 -10.510 -7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.348 -10.752 -6.335 1.00 0.00 H new ATOM 503 N ALA A 32 -15.170 -12.786 -7.169 1.00 0.00 N ATOM 504 CA ALA A 32 -13.836 -13.219 -7.567 1.00 0.00 C ATOM 505 C ALA A 32 -12.792 -12.673 -6.602 1.00 0.00 C ATOM 506 O ALA A 32 -12.092 -13.441 -5.931 1.00 0.00 O ATOM 507 CB ALA A 32 -13.519 -12.760 -8.984 1.00 0.00 C ATOM 0 H ALA A 32 -15.632 -12.171 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.812 -14.308 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.519 -13.094 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.247 -13.185 -9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.564 -11.672 -9.033 1.00 0.00 H new ATOM 513 N LEU A 33 -12.707 -11.338 -6.543 1.00 0.00 N ATOM 514 CA LEU A 33 -11.734 -10.632 -5.706 1.00 0.00 C ATOM 515 C LEU A 33 -11.688 -9.157 -6.111 1.00 0.00 C ATOM 516 O LEU A 33 -12.018 -8.265 -5.328 1.00 0.00 O ATOM 517 CB LEU A 33 -10.326 -11.254 -5.862 1.00 0.00 C ATOM 518 CG LEU A 33 -9.311 -10.968 -4.729 1.00 0.00 C ATOM 519 CD1 LEU A 33 -8.890 -9.499 -4.695 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.879 -11.394 -3.382 1.00 0.00 C ATOM 0 H LEU A 33 -13.314 -10.717 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.041 -10.721 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.439 -12.334 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.899 -10.898 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.418 -11.557 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.177 -9.343 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.425 -9.232 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.767 -8.873 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.151 -11.185 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.796 -10.840 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.096 -12.462 -3.400 1.00 0.00 H new ATOM 532 N TRP A 34 -11.282 -8.926 -7.356 1.00 0.00 N ATOM 533 CA TRP A 34 -10.995 -7.584 -7.857 1.00 0.00 C ATOM 534 C TRP A 34 -12.248 -6.923 -8.418 1.00 0.00 C ATOM 535 O TRP A 34 -13.201 -7.604 -8.792 1.00 0.00 O ATOM 536 CB TRP A 34 -9.910 -7.665 -8.940 1.00 0.00 C ATOM 537 CG TRP A 34 -8.664 -8.349 -8.463 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.499 -9.687 -8.243 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.413 -7.734 -8.145 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.237 -9.937 -7.773 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.544 -8.756 -7.720 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.943 -6.418 -8.175 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.236 -8.502 -7.327 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.642 -6.169 -7.789 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.802 -7.208 -7.369 1.00 0.00 C ATOM 0 H TRP A 34 -11.142 -9.663 -8.047 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.640 -6.973 -7.027 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.305 -8.200 -9.804 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.661 -6.658 -9.275 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.255 -10.439 -8.415 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.873 -10.852 -7.506 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.586 -5.611 -8.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.585 -9.300 -7.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.265 -5.157 -7.811 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.789 -6.981 -7.072 1.00 0.00 H new ATOM 556 N GLY A 35 -12.231 -5.593 -8.474 1.00 0.00 N ATOM 557 CA GLY A 35 -13.357 -4.848 -9.010 1.00 0.00 C ATOM 558 C GLY A 35 -13.372 -3.412 -8.530 1.00 0.00 C ATOM 559 O GLY A 35 -13.809 -2.514 -9.250 1.00 0.00 O ATOM 0 H GLY A 35 -11.453 -5.016 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -13.317 -4.865 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.286 -5.337 -8.718 1.00 0.00 H new ATOM 563 N GLY A 36 -12.898 -3.197 -7.304 1.00 0.00 N ATOM 564 CA GLY A 36 -12.873 -1.861 -6.734 1.00 0.00 C ATOM 565 C GLY A 36 -12.277 -1.839 -5.341 1.00 0.00 C ATOM 566 O GLY A 36 -11.117 -1.468 -5.161 1.00 0.00 O ATOM 0 H GLY A 36 -12.530 -3.927 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.296 -1.202 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.888 -1.465 -6.698 1.00 0.00 H new ATOM 570 N LYS A 37 -13.063 -2.243 -4.345 1.00 0.00 N ATOM 571 CA LYS A 37 -12.600 -2.249 -2.958 1.00 0.00 C ATOM 572 C LYS A 37 -12.872 -3.588 -2.278 1.00 0.00 C ATOM 573 O LYS A 37 -13.680 -4.392 -2.748 1.00 0.00 O ATOM 574 CB LYS A 37 -13.226 -1.079 -2.171 1.00 0.00 C ATOM 575 CG LYS A 37 -14.748 -0.931 -2.299 1.00 0.00 C ATOM 576 CD LYS A 37 -15.517 -1.989 -1.507 1.00 0.00 C ATOM 577 CE LYS A 37 -17.008 -1.674 -1.446 1.00 0.00 C ATOM 578 NZ LYS A 37 -17.643 -1.654 -2.792 1.00 0.00 N ATOM 0 H LYS A 37 -14.021 -2.570 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.519 -2.111 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.979 -1.201 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.760 -0.151 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.042 0.060 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.027 -0.997 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.370 -2.966 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.116 -2.049 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.507 -2.416 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.152 -0.706 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.509 -1.079 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.981 -1.244 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.883 -2.625 -3.077 1.00 0.00 H new ATOM 592 N VAL A 38 -12.173 -3.807 -1.171 1.00 0.00 N ATOM 593 CA VAL A 38 -12.248 -5.046 -0.399 1.00 0.00 C ATOM 594 C VAL A 38 -12.134 -4.717 1.091 1.00 0.00 C ATOM 595 O VAL A 38 -11.597 -3.670 1.455 1.00 0.00 O ATOM 596 CB VAL A 38 -11.109 -6.021 -0.828 1.00 0.00 C ATOM 597 CG1 VAL A 38 -10.831 -7.088 0.230 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.433 -6.678 -2.173 1.00 0.00 C ATOM 0 H VAL A 38 -11.529 -3.121 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.204 -5.534 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.204 -5.423 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.030 -7.742 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.531 -6.608 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.733 -7.676 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.625 -7.354 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.363 -7.240 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.542 -5.908 -2.937 1.00 0.00 H new ATOM 608 N THR A 39 -12.660 -5.586 1.948 1.00 0.00 N ATOM 609 CA THR A 39 -12.550 -5.403 3.391 1.00 0.00 C ATOM 610 C THR A 39 -12.138 -6.711 4.070 1.00 0.00 C ATOM 611 O THR A 39 -12.756 -7.760 3.851 1.00 0.00 O ATOM 612 CB THR A 39 -13.879 -4.897 4.000 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.363 -3.771 3.252 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.698 -4.492 5.461 1.00 0.00 C ATOM 0 H THR A 39 -13.167 -6.425 1.668 1.00 0.00 H new ATOM 0 HA THR A 39 -11.782 -4.649 3.566 1.00 0.00 H new ATOM 0 HB THR A 39 -14.601 -5.712 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.205 -3.457 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.649 -4.141 5.862 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.357 -5.352 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.959 -3.694 5.528 1.00 0.00 H new ATOM 622 N LEU A 40 -11.080 -6.642 4.873 1.00 0.00 N ATOM 623 CA LEU A 40 -10.609 -7.789 5.640 1.00 0.00 C ATOM 624 C LEU A 40 -11.526 -8.034 6.837 1.00 0.00 C ATOM 625 O LEU A 40 -12.343 -7.179 7.186 1.00 0.00 O ATOM 626 CB LEU A 40 -9.163 -7.567 6.120 1.00 0.00 C ATOM 627 CG LEU A 40 -8.069 -7.628 5.036 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.161 -8.930 4.249 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.142 -6.421 4.103 1.00 0.00 C ATOM 0 H LEU A 40 -10.529 -5.795 5.009 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.627 -8.666 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.109 -6.593 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.935 -8.315 6.879 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.102 -7.599 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.380 -8.952 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.032 -9.774 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.137 -8.996 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.357 -6.495 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.115 -6.399 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.006 -5.506 4.680 1.00 0.00 H new ATOM 641 N ALA A 41 -11.377 -9.195 7.471 1.00 0.00 N ATOM 642 CA ALA A 41 -12.216 -9.572 8.613 1.00 0.00 C ATOM 643 C ALA A 41 -12.049 -8.596 9.780 1.00 0.00 C ATOM 644 O ALA A 41 -12.927 -8.482 10.638 1.00 0.00 O ATOM 645 CB ALA A 41 -11.893 -10.994 9.057 1.00 0.00 C ATOM 0 H ALA A 41 -10.681 -9.895 7.214 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.257 -9.528 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.522 -11.262 9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.080 -11.684 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.845 -11.055 9.349 1.00 0.00 H new ATOM 651 N ASN A 42 -10.925 -7.888 9.796 1.00 0.00 N ATOM 652 CA ASN A 42 -10.618 -6.933 10.865 1.00 0.00 C ATOM 653 C ASN A 42 -11.123 -5.527 10.528 1.00 0.00 C ATOM 654 O ASN A 42 -10.932 -4.591 11.304 1.00 0.00 O ATOM 655 CB ASN A 42 -9.104 -6.902 11.139 1.00 0.00 C ATOM 656 CG ASN A 42 -8.275 -6.656 9.889 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.734 -6.035 8.930 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.047 -7.149 9.888 1.00 0.00 N ATOM 0 H ASN A 42 -10.204 -7.955 9.077 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.136 -7.267 11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.889 -6.122 11.869 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.803 -7.849 11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.446 -7.020 9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.701 -7.658 10.701 1.00 0.00 H new ATOM 665 N GLY A 43 -11.767 -5.382 9.371 1.00 0.00 N ATOM 666 CA GLY A 43 -12.350 -4.102 8.992 1.00 0.00 C ATOM 667 C GLY A 43 -11.401 -3.221 8.191 1.00 0.00 C ATOM 668 O GLY A 43 -11.698 -2.048 7.943 1.00 0.00 O ATOM 0 H GLY A 43 -11.896 -6.128 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.251 -4.281 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.656 -3.569 9.892 1.00 0.00 H new ATOM 672 N TRP A 44 -10.256 -3.772 7.795 1.00 0.00 N ATOM 673 CA TRP A 44 -9.296 -3.045 6.964 1.00 0.00 C ATOM 674 C TRP A 44 -9.789 -2.998 5.516 1.00 0.00 C ATOM 675 O TRP A 44 -9.965 -4.038 4.878 1.00 0.00 O ATOM 676 CB TRP A 44 -7.912 -3.714 7.041 1.00 0.00 C ATOM 677 CG TRP A 44 -6.830 -2.970 6.308 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.424 -3.167 5.017 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.013 -1.912 6.827 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.408 -2.297 4.705 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.136 -1.518 5.799 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.939 -1.262 8.060 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.199 -0.501 5.965 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -5.009 -0.253 8.228 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.148 0.119 7.185 1.00 0.00 C ATOM 0 H TRP A 44 -9.969 -4.721 8.036 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.206 -2.024 7.336 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.625 -3.812 8.088 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.984 -4.723 6.634 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.841 -3.899 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.933 -2.240 3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.597 -1.543 8.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.537 -0.212 5.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.944 0.257 9.178 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.431 0.910 7.347 1.00 0.00 H new ATOM 696 N GLN A 45 -10.034 -1.794 5.010 1.00 0.00 N ATOM 697 CA GLN A 45 -10.513 -1.612 3.641 1.00 0.00 C ATOM 698 C GLN A 45 -9.342 -1.401 2.679 1.00 0.00 C ATOM 699 O GLN A 45 -8.613 -0.412 2.781 1.00 0.00 O ATOM 700 CB GLN A 45 -11.480 -0.424 3.572 1.00 0.00 C ATOM 701 CG GLN A 45 -12.727 -0.603 4.435 1.00 0.00 C ATOM 702 CD GLN A 45 -13.675 0.585 4.386 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.135 1.786 4.230 1.00 0.00 O flip ATOM 704 NE2 GLN A 45 -14.890 0.424 4.514 1.00 0.00 N flip ATOM 0 H GLN A 45 -9.909 -0.925 5.529 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.043 -2.516 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.957 0.479 3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.783 -0.272 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.260 -1.496 4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.423 -0.773 5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.270 -0.515 4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.515 1.230 4.502 1.00 0.00 H new ATOM 713 N LEU A 46 -9.178 -2.334 1.743 1.00 0.00 N ATOM 714 CA LEU A 46 -8.084 -2.297 0.773 1.00 0.00 C ATOM 715 C LEU A 46 -8.671 -2.117 -0.630 1.00 0.00 C ATOM 716 O LEU A 46 -9.659 -2.768 -0.981 1.00 0.00 O ATOM 717 CB LEU A 46 -7.264 -3.605 0.868 1.00 0.00 C ATOM 718 CG LEU A 46 -5.781 -3.534 0.433 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.636 -3.205 -1.052 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.016 -2.525 1.289 1.00 0.00 C ATOM 0 H LEU A 46 -9.799 -3.136 1.635 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.417 -1.461 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.298 -3.953 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.760 -4.361 0.260 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.348 -4.522 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.579 -3.165 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.128 -3.976 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.098 -2.239 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.975 -2.490 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.464 -1.538 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.062 -2.827 2.335 1.00 0.00 H new ATOM 732 N GLU A 47 -8.083 -1.221 -1.416 1.00 0.00 N ATOM 733 CA GLU A 47 -8.567 -0.939 -2.768 1.00 0.00 C ATOM 734 C GLU A 47 -7.869 -1.837 -3.788 1.00 0.00 C ATOM 735 O GLU A 47 -6.643 -1.815 -3.913 1.00 0.00 O ATOM 736 CB GLU A 47 -8.322 0.531 -3.128 1.00 0.00 C ATOM 737 CG GLU A 47 -8.915 0.950 -4.468 1.00 0.00 C ATOM 738 CD GLU A 47 -8.473 2.342 -4.891 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.877 3.325 -4.234 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.706 2.461 -5.874 1.00 0.00 O ATOM 0 H GLU A 47 -7.267 -0.674 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.638 -1.141 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.742 1.161 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.248 0.716 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.621 0.231 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.003 0.921 -4.405 1.00 0.00 H new ATOM 747 N LEU A 48 -8.656 -2.631 -4.507 1.00 0.00 N ATOM 748 CA LEU A 48 -8.146 -3.472 -5.584 1.00 0.00 C ATOM 749 C LEU A 48 -8.643 -2.913 -6.918 1.00 0.00 C ATOM 750 O LEU A 48 -9.820 -3.066 -7.256 1.00 0.00 O ATOM 751 CB LEU A 48 -8.593 -4.936 -5.402 1.00 0.00 C ATOM 752 CG LEU A 48 -7.920 -5.710 -4.247 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.401 -5.690 -4.385 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.341 -5.159 -2.887 1.00 0.00 C ATOM 0 H LEU A 48 -9.662 -2.709 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.056 -3.463 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.671 -4.949 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.402 -5.472 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.256 -6.745 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.953 -6.242 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.115 -6.154 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.047 -4.659 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.849 -5.726 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.053 -4.110 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.422 -5.247 -2.778 1.00 0.00 H new ATOM 766 N PRO A 49 -7.747 -2.271 -7.697 1.00 0.00 N ATOM 767 CA PRO A 49 -8.129 -1.458 -8.866 1.00 0.00 C ATOM 768 C PRO A 49 -8.479 -2.285 -10.110 1.00 0.00 C ATOM 769 O PRO A 49 -8.066 -1.947 -11.221 1.00 0.00 O ATOM 770 CB PRO A 49 -6.871 -0.613 -9.103 1.00 0.00 C ATOM 771 CG PRO A 49 -5.747 -1.488 -8.663 1.00 0.00 C ATOM 772 CD PRO A 49 -6.278 -2.302 -7.507 1.00 0.00 C ATOM 0 HA PRO A 49 -9.036 -0.883 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.771 -0.335 -10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.901 0.314 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.416 -2.135 -9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.886 -0.893 -8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.894 -3.322 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.990 -1.871 -6.548 1.00 0.00 H new ATOM 780 N ALA A 50 -9.256 -3.349 -9.913 1.00 0.00 N ATOM 781 CA ALA A 50 -9.742 -4.194 -11.005 1.00 0.00 C ATOM 782 C ALA A 50 -8.605 -4.647 -11.924 1.00 0.00 C ATOM 783 O ALA A 50 -8.341 -4.041 -12.966 1.00 0.00 O ATOM 784 CB ALA A 50 -10.833 -3.474 -11.795 1.00 0.00 C ATOM 0 H ALA A 50 -9.567 -3.651 -8.990 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.172 -5.092 -10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.182 -4.117 -12.603 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.666 -3.238 -11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.430 -2.552 -12.214 1.00 0.00 H new ATOM 790 N MET A 51 -7.919 -5.704 -11.507 1.00 0.00 N ATOM 791 CA MET A 51 -6.836 -6.297 -12.288 1.00 0.00 C ATOM 792 C MET A 51 -7.204 -7.743 -12.617 1.00 0.00 C ATOM 793 O MET A 51 -8.393 -8.079 -12.666 1.00 0.00 O ATOM 794 CB MET A 51 -5.517 -6.229 -11.498 1.00 0.00 C ATOM 795 CG MET A 51 -5.083 -4.808 -11.149 1.00 0.00 C ATOM 796 SD MET A 51 -4.672 -3.814 -12.600 1.00 0.00 S ATOM 797 CE MET A 51 -3.136 -4.579 -13.121 1.00 0.00 C ATOM 0 H MET A 51 -8.096 -6.175 -10.620 1.00 0.00 H new ATOM 0 HA MET A 51 -6.697 -5.743 -13.217 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.625 -6.803 -10.578 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.730 -6.707 -12.081 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.882 -4.317 -10.594 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.217 -4.851 -10.489 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.643 -3.942 -13.855 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.484 -4.710 -12.258 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.347 -5.551 -13.567 1.00 0.00 H new ATOM 807 N ALA A 52 -6.200 -8.588 -12.863 1.00 0.00 N ATOM 808 CA ALA A 52 -6.431 -10.012 -13.110 1.00 0.00 C ATOM 809 C ALA A 52 -7.326 -10.609 -12.021 1.00 0.00 C ATOM 810 O ALA A 52 -6.900 -10.780 -10.876 1.00 0.00 O ATOM 811 CB ALA A 52 -5.103 -10.757 -13.190 1.00 0.00 C ATOM 0 H ALA A 52 -5.219 -8.310 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.944 -10.121 -14.066 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.290 -11.815 -13.374 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.504 -10.347 -14.004 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.564 -10.642 -12.250 1.00 0.00 H new ATOM 817 N ALA A 53 -8.571 -10.905 -12.390 1.00 0.00 N ATOM 818 CA ALA A 53 -9.579 -11.373 -11.442 1.00 0.00 C ATOM 819 C ALA A 53 -9.175 -12.698 -10.801 1.00 0.00 C ATOM 820 O ALA A 53 -9.464 -12.943 -9.623 1.00 0.00 O ATOM 821 CB ALA A 53 -10.932 -11.503 -12.135 1.00 0.00 C ATOM 0 H ALA A 53 -8.908 -10.828 -13.350 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.658 -10.634 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.676 -11.853 -11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.235 -10.532 -12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.854 -12.217 -12.955 1.00 0.00 H new ATOM 827 N ASP A 54 -8.505 -13.549 -11.574 1.00 0.00 N ATOM 828 CA ASP A 54 -8.070 -14.853 -11.084 1.00 0.00 C ATOM 829 C ASP A 54 -6.622 -15.117 -11.483 1.00 0.00 C ATOM 830 O ASP A 54 -6.332 -15.434 -12.638 1.00 0.00 O ATOM 831 CB ASP A 54 -8.979 -15.971 -11.620 1.00 0.00 C ATOM 832 CG ASP A 54 -8.740 -17.303 -10.922 1.00 0.00 C ATOM 833 OD1 ASP A 54 -7.744 -17.986 -11.241 1.00 0.00 O ATOM 834 OD2 ASP A 54 -9.554 -17.677 -10.049 1.00 0.00 O ATOM 0 H ASP A 54 -8.252 -13.358 -12.543 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.139 -14.845 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.022 -15.680 -11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.810 -16.090 -12.690 1.00 0.00 H new ATOM 839 N THR A 55 -5.714 -14.947 -10.531 1.00 0.00 N ATOM 840 CA THR A 55 -4.306 -15.248 -10.740 1.00 0.00 C ATOM 841 C THR A 55 -3.981 -16.643 -10.200 1.00 0.00 C ATOM 842 O THR A 55 -4.479 -17.029 -9.141 1.00 0.00 O ATOM 843 CB THR A 55 -3.411 -14.196 -10.042 1.00 0.00 C ATOM 844 OG1 THR A 55 -3.826 -14.030 -8.677 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.474 -12.852 -10.761 1.00 0.00 C ATOM 0 H THR A 55 -5.932 -14.598 -9.598 1.00 0.00 H new ATOM 0 HA THR A 55 -4.106 -15.220 -11.811 1.00 0.00 H new ATOM 0 HB THR A 55 -2.382 -14.555 -10.074 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.187 -14.479 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.835 -12.134 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.131 -12.973 -11.789 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.501 -12.488 -10.762 1.00 0.00 H new ATOM 853 N PRO A 56 -3.144 -17.423 -10.915 1.00 0.00 N ATOM 854 CA PRO A 56 -2.753 -18.774 -10.483 1.00 0.00 C ATOM 855 C PRO A 56 -1.712 -18.745 -9.362 1.00 0.00 C ATOM 856 O PRO A 56 -1.172 -19.781 -8.973 1.00 0.00 O ATOM 857 CB PRO A 56 -2.165 -19.384 -11.760 1.00 0.00 C ATOM 858 CG PRO A 56 -1.600 -18.219 -12.500 1.00 0.00 C ATOM 859 CD PRO A 56 -2.516 -17.056 -12.205 1.00 0.00 C ATOM 0 HA PRO A 56 -3.589 -19.339 -10.070 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.395 -20.121 -11.531 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.930 -19.894 -12.346 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.582 -18.006 -12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.557 -18.420 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.963 -16.120 -12.129 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.261 -16.924 -12.990 1.00 0.00 H new ATOM 867 N LEU A 57 -1.443 -17.550 -8.849 1.00 0.00 N ATOM 868 CA LEU A 57 -0.447 -17.346 -7.805 1.00 0.00 C ATOM 869 C LEU A 57 -0.876 -16.197 -6.895 1.00 0.00 C ATOM 870 O LEU A 57 -1.736 -15.395 -7.276 1.00 0.00 O ATOM 871 CB LEU A 57 0.932 -17.067 -8.447 1.00 0.00 C ATOM 872 CG LEU A 57 0.962 -16.009 -9.578 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.785 -14.588 -9.041 1.00 0.00 C ATOM 874 CD2 LEU A 57 2.257 -16.114 -10.378 1.00 0.00 C ATOM 0 H LEU A 57 -1.911 -16.694 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.364 -18.247 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.617 -16.747 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.320 -18.005 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 57 0.119 -16.219 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.813 -13.880 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.174 -14.510 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.590 -14.360 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.259 -15.363 -11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.108 -15.948 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.331 -17.107 -10.822 1.00 0.00 H new ATOM 886 N PRO A 58 -0.311 -16.107 -5.674 1.00 0.00 N ATOM 887 CA PRO A 58 -0.556 -14.969 -4.788 1.00 0.00 C ATOM 888 C PRO A 58 0.037 -13.689 -5.383 1.00 0.00 C ATOM 889 O PRO A 58 1.257 -13.515 -5.430 1.00 0.00 O ATOM 890 CB PRO A 58 0.138 -15.365 -3.476 1.00 0.00 C ATOM 891 CG PRO A 58 1.175 -16.361 -3.880 1.00 0.00 C ATOM 892 CD PRO A 58 0.601 -17.099 -5.063 1.00 0.00 C ATOM 0 HA PRO A 58 -1.615 -14.759 -4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.588 -14.500 -2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.570 -15.796 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.110 -15.866 -4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.397 -17.047 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.380 -17.411 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.069 -17.999 -4.756 1.00 0.00 H new ATOM 900 N ILE A 59 -0.837 -12.806 -5.846 1.00 0.00 N ATOM 901 CA ILE A 59 -0.425 -11.629 -6.603 1.00 0.00 C ATOM 902 C ILE A 59 -0.115 -10.457 -5.674 1.00 0.00 C ATOM 903 O ILE A 59 -0.830 -10.213 -4.703 1.00 0.00 O ATOM 904 CB ILE A 59 -1.516 -11.218 -7.629 1.00 0.00 C ATOM 905 CG1 ILE A 59 -1.122 -9.923 -8.367 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.874 -11.069 -6.942 1.00 0.00 C ATOM 907 CD1 ILE A 59 -2.140 -9.463 -9.393 1.00 0.00 C ATOM 0 H ILE A 59 -1.845 -12.883 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 59 0.484 -11.891 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.598 -12.011 -8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.976 -9.129 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.164 -10.077 -8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.624 -10.781 -7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.158 -12.018 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.809 -10.302 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.789 -8.547 -9.868 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.270 -10.237 -10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.094 -9.274 -8.900 1.00 0.00 H new ATOM 919 N THR A 60 0.965 -9.747 -5.975 1.00 0.00 N ATOM 920 CA THR A 60 1.400 -8.614 -5.169 1.00 0.00 C ATOM 921 C THR A 60 1.101 -7.295 -5.885 1.00 0.00 C ATOM 922 O THR A 60 1.472 -7.112 -7.049 1.00 0.00 O ATOM 923 CB THR A 60 2.910 -8.716 -4.866 1.00 0.00 C ATOM 924 OG1 THR A 60 3.201 -10.006 -4.307 1.00 0.00 O ATOM 925 CG2 THR A 60 3.351 -7.627 -3.895 1.00 0.00 C ATOM 0 H THR A 60 1.561 -9.939 -6.780 1.00 0.00 H new ATOM 0 HA THR A 60 0.848 -8.635 -4.229 1.00 0.00 H new ATOM 0 HB THR A 60 3.457 -8.583 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.160 -10.071 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.419 -7.724 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.149 -6.648 -4.330 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.801 -7.729 -2.960 1.00 0.00 H new ATOM 933 N VAL A 61 0.417 -6.385 -5.189 1.00 0.00 N ATOM 934 CA VAL A 61 0.050 -5.081 -5.743 1.00 0.00 C ATOM 935 C VAL A 61 0.238 -3.972 -4.708 1.00 0.00 C ATOM 936 O VAL A 61 0.643 -4.228 -3.568 1.00 0.00 O ATOM 937 CB VAL A 61 -1.417 -5.055 -6.252 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.586 -5.948 -7.478 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.385 -5.462 -5.140 1.00 0.00 C ATOM 0 H VAL A 61 0.103 -6.530 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 61 0.714 -4.908 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.654 -4.033 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.622 -5.912 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.933 -5.597 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.324 -6.974 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.406 -5.437 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.148 -6.471 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.291 -4.769 -4.304 1.00 0.00 H new ATOM 949 N GLU A 62 -0.034 -2.739 -5.130 1.00 0.00 N ATOM 950 CA GLU A 62 0.059 -1.570 -4.261 1.00 0.00 C ATOM 951 C GLU A 62 -1.110 -1.535 -3.273 1.00 0.00 C ATOM 952 O GLU A 62 -2.275 -1.576 -3.674 1.00 0.00 O ATOM 953 CB GLU A 62 0.076 -0.292 -5.112 1.00 0.00 C ATOM 954 CG GLU A 62 0.161 0.997 -4.302 1.00 0.00 C ATOM 955 CD GLU A 62 0.224 2.233 -5.184 1.00 0.00 C ATOM 956 OE1 GLU A 62 -0.845 2.779 -5.538 1.00 0.00 O ATOM 957 OE2 GLU A 62 1.344 2.659 -5.537 1.00 0.00 O ATOM 0 H GLU A 62 -0.325 -2.523 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 62 0.985 -1.632 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.924 -0.335 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.825 -0.264 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.705 1.067 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.044 0.964 -3.664 1.00 0.00 H new ATOM 964 N ALA A 63 -0.790 -1.468 -1.983 1.00 0.00 N ATOM 965 CA ALA A 63 -1.808 -1.430 -0.938 1.00 0.00 C ATOM 966 C ALA A 63 -2.374 -0.022 -0.772 1.00 0.00 C ATOM 967 O ALA A 63 -1.685 0.879 -0.295 1.00 0.00 O ATOM 968 CB ALA A 63 -1.231 -1.925 0.384 1.00 0.00 C ATOM 0 H ALA A 63 0.169 -1.439 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.622 -2.090 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.002 -1.891 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.881 -2.951 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.397 -1.288 0.678 1.00 0.00 H new ATOM 974 N ARG A 64 -3.625 0.159 -1.173 1.00 0.00 N ATOM 975 CA ARG A 64 -4.314 1.433 -1.002 1.00 0.00 C ATOM 976 C ARG A 64 -5.405 1.275 0.055 1.00 0.00 C ATOM 977 O ARG A 64 -6.128 0.276 0.064 1.00 0.00 O ATOM 978 CB ARG A 64 -4.922 1.892 -2.330 1.00 0.00 C ATOM 979 CG ARG A 64 -3.927 1.963 -3.487 1.00 0.00 C ATOM 980 CD ARG A 64 -4.618 2.340 -4.792 1.00 0.00 C ATOM 981 NE ARG A 64 -3.725 2.226 -5.946 1.00 0.00 N ATOM 982 CZ ARG A 64 -4.149 2.103 -7.205 1.00 0.00 C ATOM 983 NH1 ARG A 64 -5.448 2.096 -7.479 1.00 0.00 N ATOM 984 NH2 ARG A 64 -3.273 1.983 -8.192 1.00 0.00 N ATOM 0 H ARG A 64 -4.187 -0.564 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.600 2.189 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.729 1.211 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.369 2.876 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.153 2.695 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.430 0.999 -3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.485 1.696 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.989 3.363 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.719 2.242 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.129 2.185 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.765 2.002 -8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.273 1.985 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.598 1.889 -9.154 1.00 0.00 H new ATOM 998 N LYS A 65 -5.528 2.261 0.930 1.00 0.00 N ATOM 999 CA LYS A 65 -6.419 2.177 2.085 1.00 0.00 C ATOM 1000 C LYS A 65 -7.592 3.146 1.946 1.00 0.00 C ATOM 1001 O LYS A 65 -7.396 4.345 1.753 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.619 2.475 3.367 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.460 2.634 4.635 1.00 0.00 C ATOM 1004 CD LYS A 65 -7.281 1.389 4.956 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.984 1.509 6.305 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.861 2.708 6.379 1.00 0.00 N ATOM 0 H LYS A 65 -5.016 3.141 0.863 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.830 1.169 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.901 1.670 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.044 3.389 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.804 2.858 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.130 3.486 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.022 1.230 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.630 0.515 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.580 0.614 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.238 1.558 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.548 2.589 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.281 3.552 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.369 2.823 5.479 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.812 2.616 2.032 1.00 0.00 N ATOM 1021 CA LEU A 66 -10.011 3.450 2.035 1.00 0.00 C ATOM 1022 C LEU A 66 -10.202 4.048 3.430 1.00 0.00 C ATOM 1023 O LEU A 66 -9.880 5.240 3.622 1.00 0.00 O ATOM 1024 CB LEU A 66 -11.266 2.647 1.627 1.00 0.00 C ATOM 1025 CG LEU A 66 -11.302 2.106 0.182 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.033 3.216 -0.830 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.327 0.947 0.000 1.00 0.00 C ATOM 1028 OXT LEU A 66 -10.630 3.307 4.342 1.00 0.00 O ATOM 0 H LEU A 66 -8.995 1.615 2.100 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.879 4.245 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.367 1.803 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.139 3.282 1.775 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.306 1.725 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.065 2.804 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.793 3.991 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.049 3.647 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.376 0.588 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.314 1.286 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.593 0.138 0.680 1.00 0.00 H new TER 1040 LEU A 66