USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 597 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 7 THR OG1 : rot 180:sc= -0.676 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= -0.012 (180deg=-0.185) USER MOD Single : A 11 MET CE :methyl 176:sc= -1.55 (180deg=-1.6) USER MOD Single : A 14 SER OG : rot 180:sc= -0.116 USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0775) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.245 K(o=-0.25,f=-1.5!) USER MOD Single : A 34 THR OG1 : rot -140:sc= -1.5! USER MOD Single : A 37 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-6.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.2! C(o=-4.2!,f=-5.5!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -50:sc= 0.987 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= -1.29 USER MOD Single : A 79 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.043) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 4.055 14.156 4.962 1.00 0.00 N ATOM 40 CA VAL A 4 3.236 13.106 5.559 1.00 0.00 C ATOM 41 C VAL A 4 3.294 11.832 4.718 1.00 0.00 C ATOM 42 O VAL A 4 2.854 11.819 3.569 1.00 0.00 O ATOM 43 CB VAL A 4 1.768 13.548 5.709 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.113 12.824 6.873 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.675 15.056 5.890 1.00 0.00 C ATOM 0 HA VAL A 4 3.643 12.908 6.551 1.00 0.00 H new ATOM 0 HB VAL A 4 1.234 13.284 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.076 13.147 6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.143 11.749 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.649 13.056 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.629 15.346 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.224 15.350 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.105 15.554 5.021 1.00 0.00 H new ATOM 55 N VAL A 5 3.847 10.766 5.288 1.00 0.00 N ATOM 56 CA VAL A 5 3.978 9.499 4.573 1.00 0.00 C ATOM 57 C VAL A 5 3.040 8.434 5.141 1.00 0.00 C ATOM 58 O VAL A 5 3.139 8.070 6.311 1.00 0.00 O ATOM 59 CB VAL A 5 5.428 8.974 4.635 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.512 7.546 4.115 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.360 9.889 3.856 1.00 0.00 C ATOM 0 H VAL A 5 4.211 10.753 6.241 1.00 0.00 H new ATOM 0 HA VAL A 5 3.706 9.694 3.536 1.00 0.00 H new ATOM 0 HB VAL A 5 5.745 8.970 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.544 7.199 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.879 6.899 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.173 7.515 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.378 9.503 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.043 9.930 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.328 10.891 4.284 1.00 0.00 H new ATOM 71 N ALA A 6 2.141 7.925 4.302 1.00 0.00 N ATOM 72 CA ALA A 6 1.231 6.858 4.708 1.00 0.00 C ATOM 73 C ALA A 6 1.765 5.514 4.228 1.00 0.00 C ATOM 74 O ALA A 6 2.687 5.473 3.416 1.00 0.00 O ATOM 75 CB ALA A 6 -0.166 7.106 4.161 1.00 0.00 C ATOM 0 H ALA A 6 2.024 8.234 3.337 1.00 0.00 H new ATOM 0 HA ALA A 6 1.168 6.844 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.828 6.299 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.543 8.055 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.129 7.142 3.072 1.00 0.00 H new ATOM 81 N THR A 7 1.213 4.415 4.737 1.00 0.00 N ATOM 82 CA THR A 7 1.672 3.094 4.323 1.00 0.00 C ATOM 83 C THR A 7 0.531 2.085 4.226 1.00 0.00 C ATOM 84 O THR A 7 -0.333 1.992 5.112 1.00 0.00 O ATOM 85 CB THR A 7 2.752 2.574 5.265 1.00 0.00 C ATOM 86 OG1 THR A 7 3.743 3.561 5.491 1.00 0.00 O ATOM 87 CG2 THR A 7 3.442 1.335 4.743 1.00 0.00 C ATOM 0 H THR A 7 0.460 4.412 5.425 1.00 0.00 H new ATOM 0 HA THR A 7 2.094 3.209 3.324 1.00 0.00 H new ATOM 0 HB THR A 7 2.236 2.323 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.425 3.207 6.099 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.200 1.013 5.457 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.709 0.540 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.916 1.558 3.787 1.00 0.00 H new ATOM 95 N ILE A 8 0.587 1.296 3.154 1.00 0.00 N ATOM 96 CA ILE A 8 -0.416 0.284 2.851 1.00 0.00 C ATOM 97 C ILE A 8 0.255 -1.079 2.623 1.00 0.00 C ATOM 98 O ILE A 8 0.951 -1.271 1.629 1.00 0.00 O ATOM 99 CB ILE A 8 -1.202 0.696 1.587 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.511 2.199 1.619 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.477 -0.108 1.455 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.651 2.579 2.546 1.00 0.00 C ATOM 0 H ILE A 8 1.339 1.344 2.466 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.101 0.201 3.695 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.582 0.486 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.614 2.737 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.752 2.531 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.011 0.202 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.233 -1.168 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.106 0.062 2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.805 3.657 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.562 2.072 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.406 2.281 3.565 1.00 0.00 H new ATOM 114 N LYS A 9 0.120 -1.991 3.592 1.00 0.00 N ATOM 115 CA LYS A 9 0.773 -3.306 3.517 1.00 0.00 C ATOM 116 C LYS A 9 -0.162 -4.387 2.981 1.00 0.00 C ATOM 117 O LYS A 9 -0.911 -5.001 3.737 1.00 0.00 O ATOM 118 CB LYS A 9 1.291 -3.729 4.889 1.00 0.00 C ATOM 119 CG LYS A 9 1.404 -2.594 5.897 1.00 0.00 C ATOM 120 CD LYS A 9 2.843 -2.151 6.093 1.00 0.00 C ATOM 121 CE LYS A 9 3.616 -3.134 6.958 1.00 0.00 C ATOM 122 NZ LYS A 9 3.173 -3.090 8.379 1.00 0.00 N ATOM 0 H LYS A 9 -0.434 -1.845 4.436 1.00 0.00 H new ATOM 0 HA LYS A 9 1.606 -3.201 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.628 -4.493 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.272 -4.189 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.807 -1.747 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.990 -2.915 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.331 -2.057 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.861 -1.165 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.484 -4.143 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.681 -2.907 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.933 -3.449 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.950 -2.109 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.326 -3.681 8.497 1.00 0.00 H new ATOM 136 N VAL A 10 -0.078 -4.654 1.690 1.00 0.00 N ATOM 137 CA VAL A 10 -0.953 -5.643 1.055 1.00 0.00 C ATOM 138 C VAL A 10 -0.305 -7.028 1.007 1.00 0.00 C ATOM 139 O VAL A 10 0.866 -7.166 0.656 1.00 0.00 O ATOM 140 CB VAL A 10 -1.373 -5.194 -0.372 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.056 -3.718 -0.581 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.724 -6.042 -1.457 1.00 0.00 C ATOM 0 H VAL A 10 0.583 -4.205 1.056 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.849 -5.713 1.672 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.450 -5.340 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.356 -3.420 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.599 -3.122 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.015 -3.555 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.048 -5.690 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.360 -5.960 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.019 -7.084 -1.330 1.00 0.00 H new ATOM 152 N MET A 11 -1.077 -8.053 1.375 1.00 0.00 N ATOM 153 CA MET A 11 -0.582 -9.427 1.353 1.00 0.00 C ATOM 154 C MET A 11 -1.702 -10.417 0.991 1.00 0.00 C ATOM 155 O MET A 11 -2.761 -10.446 1.631 1.00 0.00 O ATOM 156 CB MET A 11 0.067 -9.794 2.701 1.00 0.00 C ATOM 157 CG MET A 11 -0.855 -10.510 3.681 1.00 0.00 C ATOM 158 SD MET A 11 0.019 -11.696 4.719 1.00 0.00 S ATOM 159 CE MET A 11 -0.431 -13.240 3.929 1.00 0.00 C ATOM 0 H MET A 11 -2.042 -7.956 1.690 1.00 0.00 H new ATOM 0 HA MET A 11 0.182 -9.497 0.579 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.934 -10.427 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.436 -8.882 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.348 -9.773 4.315 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.638 -11.027 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.092 -14.064 4.416 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.507 -13.392 4.014 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.152 -13.205 2.876 1.00 0.00 H new ATOM 169 N PRO A 12 -1.479 -11.236 -0.055 1.00 0.00 N ATOM 170 CA PRO A 12 -2.446 -12.238 -0.519 1.00 0.00 C ATOM 171 C PRO A 12 -2.546 -13.422 0.437 1.00 0.00 C ATOM 172 O PRO A 12 -1.547 -14.075 0.736 1.00 0.00 O ATOM 173 CB PRO A 12 -1.881 -12.695 -1.878 1.00 0.00 C ATOM 174 CG PRO A 12 -0.802 -11.719 -2.201 1.00 0.00 C ATOM 175 CD PRO A 12 -0.273 -11.248 -0.881 1.00 0.00 C ATOM 0 HA PRO A 12 -3.454 -11.828 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.489 -13.710 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.654 -12.695 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.016 -12.187 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.190 -10.886 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.487 -11.920 -0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.182 -10.260 -0.953 1.00 0.00 H new ATOM 183 N GLU A 13 -3.755 -13.680 0.928 1.00 0.00 N ATOM 184 CA GLU A 13 -3.984 -14.783 1.855 1.00 0.00 C ATOM 185 C GLU A 13 -3.532 -16.111 1.256 1.00 0.00 C ATOM 186 O GLU A 13 -3.101 -17.012 1.974 1.00 0.00 O ATOM 187 CB GLU A 13 -5.466 -14.859 2.231 1.00 0.00 C ATOM 188 CG GLU A 13 -5.812 -14.089 3.496 1.00 0.00 C ATOM 189 CD GLU A 13 -7.245 -14.309 3.937 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.557 -15.424 4.406 1.00 0.00 O ATOM 191 OE2 GLU A 13 -8.055 -13.367 3.815 1.00 0.00 O ATOM 0 H GLU A 13 -4.590 -13.141 0.699 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.394 -14.595 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.062 -14.472 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.746 -15.904 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.138 -14.392 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.647 -13.025 3.326 1.00 0.00 H new ATOM 198 N SER A 14 -3.650 -16.231 -0.063 1.00 0.00 N ATOM 199 CA SER A 14 -3.260 -17.452 -0.757 1.00 0.00 C ATOM 200 C SER A 14 -1.743 -17.530 -0.919 1.00 0.00 C ATOM 201 O SER A 14 -1.064 -16.505 -0.961 1.00 0.00 O ATOM 202 CB SER A 14 -3.934 -17.520 -2.130 1.00 0.00 C ATOM 203 OG SER A 14 -4.753 -18.672 -2.240 1.00 0.00 O ATOM 0 H SER A 14 -4.013 -15.497 -0.672 1.00 0.00 H new ATOM 0 HA SER A 14 -3.586 -18.300 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.536 -16.625 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.174 -17.534 -2.911 1.00 0.00 H new ATOM 0 HG SER A 14 -5.173 -18.691 -3.125 1.00 0.00 H new ATOM 209 N PRO A 15 -1.192 -18.754 -1.021 1.00 0.00 N ATOM 210 CA PRO A 15 0.252 -18.955 -1.182 1.00 0.00 C ATOM 211 C PRO A 15 0.751 -18.498 -2.548 1.00 0.00 C ATOM 212 O PRO A 15 1.943 -18.569 -2.843 1.00 0.00 O ATOM 213 CB PRO A 15 0.423 -20.468 -1.027 1.00 0.00 C ATOM 214 CG PRO A 15 -0.896 -21.039 -1.418 1.00 0.00 C ATOM 215 CD PRO A 15 -1.926 -20.035 -0.981 1.00 0.00 C ATOM 0 HA PRO A 15 0.826 -18.374 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.222 -20.844 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.682 -20.734 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.946 -21.206 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.062 -22.003 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.787 -20.026 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.301 -20.253 0.019 1.00 0.00 H new ATOM 223 N ASP A 16 -0.179 -18.055 -3.387 1.00 0.00 N ATOM 224 CA ASP A 16 0.155 -17.559 -4.715 1.00 0.00 C ATOM 225 C ASP A 16 0.361 -16.053 -4.671 1.00 0.00 C ATOM 226 O ASP A 16 -0.149 -15.318 -5.516 1.00 0.00 O ATOM 227 CB ASP A 16 -0.952 -17.913 -5.712 1.00 0.00 C ATOM 228 CG ASP A 16 -0.434 -18.714 -6.890 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.703 -18.450 -7.334 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.167 -19.606 -7.368 1.00 0.00 O ATOM 0 H ASP A 16 -1.175 -18.030 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 16 1.080 -18.033 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.728 -18.483 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.417 -16.996 -6.075 1.00 0.00 H new ATOM 235 N VAL A 17 1.110 -15.607 -3.668 1.00 0.00 N ATOM 236 CA VAL A 17 1.368 -14.186 -3.463 1.00 0.00 C ATOM 237 C VAL A 17 2.183 -13.586 -4.614 1.00 0.00 C ATOM 238 O VAL A 17 3.390 -13.372 -4.491 1.00 0.00 O ATOM 239 CB VAL A 17 2.118 -13.945 -2.132 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.487 -12.475 -1.963 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.280 -14.427 -0.959 1.00 0.00 C ATOM 0 H VAL A 17 1.552 -16.215 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 17 0.397 -13.692 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 17 3.045 -14.518 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.013 -12.338 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.132 -12.165 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.580 -11.870 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.821 -14.251 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.336 -13.883 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.082 -15.493 -1.067 1.00 0.00 H new ATOM 251 N ASP A 18 1.523 -13.341 -5.741 1.00 0.00 N ATOM 252 CA ASP A 18 2.179 -12.723 -6.886 1.00 0.00 C ATOM 253 C ASP A 18 2.470 -11.256 -6.592 1.00 0.00 C ATOM 254 O ASP A 18 1.626 -10.391 -6.821 1.00 0.00 O ATOM 255 CB ASP A 18 1.309 -12.846 -8.137 1.00 0.00 C ATOM 256 CG ASP A 18 -0.174 -12.807 -7.821 1.00 0.00 C ATOM 257 OD1 ASP A 18 -0.629 -11.809 -7.224 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.881 -13.775 -8.173 1.00 0.00 O ATOM 0 H ASP A 18 0.537 -13.560 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 18 3.120 -13.243 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.552 -12.036 -8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.544 -13.780 -8.648 1.00 0.00 H new ATOM 263 N LEU A 19 3.641 -10.991 -6.027 1.00 0.00 N ATOM 264 CA LEU A 19 4.019 -9.631 -5.661 1.00 0.00 C ATOM 265 C LEU A 19 4.127 -8.730 -6.888 1.00 0.00 C ATOM 266 O LEU A 19 3.719 -7.571 -6.849 1.00 0.00 O ATOM 267 CB LEU A 19 5.324 -9.618 -4.837 1.00 0.00 C ATOM 268 CG LEU A 19 6.645 -9.862 -5.591 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.534 -11.045 -6.542 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.089 -8.609 -6.332 1.00 0.00 C ATOM 0 H LEU A 19 4.344 -11.698 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 19 3.226 -9.228 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.396 -8.652 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.237 -10.375 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 19 7.406 -10.106 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.484 -11.188 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.288 -11.944 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.750 -10.851 -7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.024 -8.808 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.323 -8.322 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.238 -7.798 -5.619 1.00 0.00 H new ATOM 282 N GLU A 20 4.625 -9.280 -7.992 1.00 0.00 N ATOM 283 CA GLU A 20 4.776 -8.508 -9.219 1.00 0.00 C ATOM 284 C GLU A 20 3.416 -8.212 -9.818 1.00 0.00 C ATOM 285 O GLU A 20 3.187 -7.136 -10.369 1.00 0.00 O ATOM 286 CB GLU A 20 5.650 -9.262 -10.219 1.00 0.00 C ATOM 287 CG GLU A 20 5.572 -8.724 -11.639 1.00 0.00 C ATOM 288 CD GLU A 20 5.474 -9.825 -12.676 1.00 0.00 C ATOM 289 OE1 GLU A 20 4.506 -10.613 -12.616 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.366 -9.902 -13.547 1.00 0.00 O ATOM 0 H GLU A 20 4.929 -10.251 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 20 5.265 -7.563 -8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.686 -9.222 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.357 -10.312 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.706 -8.068 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.454 -8.116 -11.842 1.00 0.00 H new ATOM 297 N ALA A 21 2.504 -9.163 -9.685 1.00 0.00 N ATOM 298 CA ALA A 21 1.141 -8.957 -10.144 1.00 0.00 C ATOM 299 C ALA A 21 0.466 -7.927 -9.254 1.00 0.00 C ATOM 300 O ALA A 21 -0.298 -7.080 -9.719 1.00 0.00 O ATOM 301 CB ALA A 21 0.364 -10.264 -10.147 1.00 0.00 C ATOM 0 H ALA A 21 2.681 -10.076 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 21 1.161 -8.588 -11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.653 -10.082 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.853 -10.976 -10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.334 -10.672 -9.137 1.00 0.00 H new ATOM 307 N LEU A 22 0.786 -8.000 -7.969 1.00 0.00 N ATOM 308 CA LEU A 22 0.277 -7.058 -6.987 1.00 0.00 C ATOM 309 C LEU A 22 0.826 -5.668 -7.266 1.00 0.00 C ATOM 310 O LEU A 22 0.190 -4.662 -6.964 1.00 0.00 O ATOM 311 CB LEU A 22 0.691 -7.504 -5.578 1.00 0.00 C ATOM 312 CG LEU A 22 -0.408 -7.527 -4.502 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.761 -7.091 -5.054 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.508 -8.912 -3.889 1.00 0.00 C ATOM 0 H LEU A 22 1.404 -8.713 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.811 -7.031 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.115 -8.505 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.488 -6.845 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.128 -6.810 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.506 -7.123 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.686 -6.075 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.060 -7.764 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.289 -8.918 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.752 -9.637 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.445 -9.177 -3.432 1.00 0.00 H new ATOM 326 N LYS A 23 2.027 -5.637 -7.832 1.00 0.00 N ATOM 327 CA LYS A 23 2.698 -4.390 -8.163 1.00 0.00 C ATOM 328 C LYS A 23 1.817 -3.526 -9.049 1.00 0.00 C ATOM 329 O LYS A 23 1.662 -2.327 -8.812 1.00 0.00 O ATOM 330 CB LYS A 23 4.021 -4.685 -8.875 1.00 0.00 C ATOM 331 CG LYS A 23 5.255 -4.382 -8.039 1.00 0.00 C ATOM 332 CD LYS A 23 5.944 -5.648 -7.575 1.00 0.00 C ATOM 333 CE LYS A 23 7.350 -5.356 -7.080 1.00 0.00 C ATOM 334 NZ LYS A 23 7.371 -5.016 -5.631 1.00 0.00 N ATOM 0 H LYS A 23 2.559 -6.473 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 23 2.898 -3.848 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.040 -5.736 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.065 -4.101 -9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.952 -3.782 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.970 -3.785 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.363 -6.110 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.986 -6.365 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.985 -6.224 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.772 -4.530 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.896 -4.129 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.396 -4.900 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.836 -5.781 -5.102 1.00 0.00 H new ATOM 348 N LYS A 24 1.242 -4.143 -10.074 1.00 0.00 N ATOM 349 CA LYS A 24 0.365 -3.435 -10.992 1.00 0.00 C ATOM 350 C LYS A 24 -0.898 -2.976 -10.277 1.00 0.00 C ATOM 351 O LYS A 24 -1.358 -1.849 -10.467 1.00 0.00 O ATOM 352 CB LYS A 24 -0.006 -4.329 -12.179 1.00 0.00 C ATOM 353 CG LYS A 24 1.089 -5.308 -12.574 1.00 0.00 C ATOM 354 CD LYS A 24 0.978 -5.713 -14.035 1.00 0.00 C ATOM 355 CE LYS A 24 0.037 -6.893 -14.217 1.00 0.00 C ATOM 356 NZ LYS A 24 0.342 -7.663 -15.454 1.00 0.00 N ATOM 0 H LYS A 24 1.369 -5.132 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 24 0.898 -2.560 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.909 -4.888 -11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.244 -3.699 -13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.064 -4.856 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.029 -6.196 -11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.620 -4.867 -14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.965 -5.971 -14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.111 -7.552 -13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.991 -6.534 -14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.322 -8.459 -15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.247 -7.041 -16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.315 -8.028 -15.405 1.00 0.00 H new ATOM 370 N GLU A 25 -1.463 -3.863 -9.462 1.00 0.00 N ATOM 371 CA GLU A 25 -2.678 -3.546 -8.720 1.00 0.00 C ATOM 372 C GLU A 25 -2.409 -2.453 -7.696 1.00 0.00 C ATOM 373 O GLU A 25 -3.296 -1.680 -7.340 1.00 0.00 O ATOM 374 CB GLU A 25 -3.220 -4.796 -8.024 1.00 0.00 C ATOM 375 CG GLU A 25 -3.185 -6.042 -8.894 1.00 0.00 C ATOM 376 CD GLU A 25 -4.557 -6.440 -9.401 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.474 -6.602 -8.568 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.715 -6.591 -10.631 1.00 0.00 O ATOM 0 H GLU A 25 -1.100 -4.802 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.426 -3.185 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.639 -4.978 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.248 -4.610 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.524 -5.869 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.760 -6.867 -8.323 1.00 0.00 H new ATOM 385 N ILE A 26 -1.179 -2.409 -7.217 1.00 0.00 N ATOM 386 CA ILE A 26 -0.778 -1.421 -6.233 1.00 0.00 C ATOM 387 C ILE A 26 -0.938 -0.011 -6.782 1.00 0.00 C ATOM 388 O ILE A 26 -1.436 0.880 -6.095 1.00 0.00 O ATOM 389 CB ILE A 26 0.684 -1.638 -5.788 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.739 -2.651 -4.646 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.322 -0.324 -5.365 1.00 0.00 C ATOM 392 CD1 ILE A 26 2.008 -3.472 -4.629 1.00 0.00 C ATOM 0 H ILE A 26 -0.437 -3.050 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.430 -1.542 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 26 1.248 -2.030 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.645 -2.123 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.117 -3.321 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.352 -0.503 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.310 0.373 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.762 0.101 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.979 -4.170 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.094 -4.028 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.868 -2.811 -4.520 1.00 0.00 H new ATOM 404 N GLN A 27 -0.467 0.193 -8.006 1.00 0.00 N ATOM 405 CA GLN A 27 -0.533 1.501 -8.640 1.00 0.00 C ATOM 406 C GLN A 27 -1.975 1.951 -8.825 1.00 0.00 C ATOM 407 O GLN A 27 -2.285 3.137 -8.708 1.00 0.00 O ATOM 408 CB GLN A 27 0.178 1.468 -9.994 1.00 0.00 C ATOM 409 CG GLN A 27 1.683 1.288 -9.886 1.00 0.00 C ATOM 410 CD GLN A 27 2.440 2.593 -10.041 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.014 3.489 -10.769 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.573 2.705 -9.356 1.00 0.00 N ATOM 0 H GLN A 27 -0.035 -0.532 -8.579 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.033 2.216 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.235 0.656 -10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.031 2.395 -10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.924 0.845 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.017 0.586 -10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.889 1.937 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.127 3.559 -9.422 1.00 0.00 H new ATOM 421 N GLU A 28 -2.845 1.008 -9.177 1.00 0.00 N ATOM 422 CA GLU A 28 -4.249 1.325 -9.414 1.00 0.00 C ATOM 423 C GLU A 28 -5.015 1.481 -8.108 1.00 0.00 C ATOM 424 O GLU A 28 -6.088 2.086 -8.074 1.00 0.00 O ATOM 425 CB GLU A 28 -4.896 0.255 -10.282 1.00 0.00 C ATOM 426 CG GLU A 28 -5.012 -1.090 -9.603 1.00 0.00 C ATOM 427 CD GLU A 28 -6.432 -1.418 -9.187 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.200 -1.915 -10.037 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.775 -1.180 -8.010 1.00 0.00 O ATOM 0 H GLU A 28 -2.604 0.025 -9.304 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.289 2.279 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.890 0.591 -10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.315 0.141 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.648 -1.865 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.368 -1.105 -8.724 1.00 0.00 H new ATOM 436 N ARG A 29 -4.468 0.918 -7.041 1.00 0.00 N ATOM 437 CA ARG A 29 -5.113 0.983 -5.736 1.00 0.00 C ATOM 438 C ARG A 29 -4.680 2.231 -4.969 1.00 0.00 C ATOM 439 O ARG A 29 -5.254 2.564 -3.933 1.00 0.00 O ATOM 440 CB ARG A 29 -4.810 -0.284 -4.931 1.00 0.00 C ATOM 441 CG ARG A 29 -3.521 -0.218 -4.134 1.00 0.00 C ATOM 442 CD ARG A 29 -3.728 -0.685 -2.701 1.00 0.00 C ATOM 443 NE ARG A 29 -3.439 0.374 -1.737 1.00 0.00 N ATOM 444 CZ ARG A 29 -4.356 1.220 -1.274 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.615 1.125 -1.677 1.00 0.00 N ATOM 446 NH2 ARG A 29 -4.017 2.158 -0.403 1.00 0.00 N ATOM 0 H ARG A 29 -3.582 0.412 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.190 1.047 -5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.638 -0.474 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.759 -1.132 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.763 -0.837 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.144 0.805 -4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.757 -1.021 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.085 -1.543 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.481 0.470 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.884 0.402 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.315 1.775 -1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.051 2.234 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.722 2.805 -0.050 1.00 0.00 H new ATOM 460 N ILE A 30 -3.660 2.916 -5.484 1.00 0.00 N ATOM 461 CA ILE A 30 -3.159 4.134 -4.850 1.00 0.00 C ATOM 462 C ILE A 30 -4.242 5.211 -4.785 1.00 0.00 C ATOM 463 O ILE A 30 -4.966 5.428 -5.757 1.00 0.00 O ATOM 464 CB ILE A 30 -1.937 4.700 -5.600 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.763 3.720 -5.519 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.541 6.065 -5.043 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.208 3.538 -4.121 1.00 0.00 C ATOM 0 H ILE A 30 -3.166 2.649 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.861 3.859 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.207 4.831 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.085 2.751 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.035 4.070 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.676 6.444 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.374 6.759 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.290 5.968 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.620 2.830 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.147 4.497 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.991 3.157 -3.466 1.00 0.00 H new ATOM 479 N PRO A 31 -4.344 5.928 -3.647 1.00 0.00 N ATOM 480 CA PRO A 31 -5.318 7.008 -3.478 1.00 0.00 C ATOM 481 C PRO A 31 -5.258 8.020 -4.619 1.00 0.00 C ATOM 482 O PRO A 31 -4.251 8.704 -4.804 1.00 0.00 O ATOM 483 CB PRO A 31 -4.910 7.669 -2.152 1.00 0.00 C ATOM 484 CG PRO A 31 -3.562 7.117 -1.825 1.00 0.00 C ATOM 485 CD PRO A 31 -3.521 5.753 -2.442 1.00 0.00 C ATOM 0 HA PRO A 31 -6.341 6.633 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.876 8.754 -2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.628 7.442 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.772 7.752 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.412 7.063 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.503 5.448 -2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.931 4.993 -1.777 1.00 0.00 H new ATOM 493 N GLU A 32 -6.336 8.091 -5.395 1.00 0.00 N ATOM 494 CA GLU A 32 -6.419 8.999 -6.537 1.00 0.00 C ATOM 495 C GLU A 32 -6.219 10.461 -6.130 1.00 0.00 C ATOM 496 O GLU A 32 -6.215 11.350 -6.981 1.00 0.00 O ATOM 497 CB GLU A 32 -7.770 8.840 -7.236 1.00 0.00 C ATOM 498 CG GLU A 32 -7.672 8.824 -8.753 1.00 0.00 C ATOM 499 CD GLU A 32 -8.823 9.552 -9.420 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.927 9.579 -8.837 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.620 10.095 -10.527 1.00 0.00 O ATOM 0 H GLU A 32 -7.172 7.525 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.613 8.733 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.236 7.914 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.426 9.656 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.731 9.283 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.650 7.791 -9.101 1.00 0.00 H new ATOM 508 N GLY A 33 -6.057 10.708 -4.833 1.00 0.00 N ATOM 509 CA GLY A 33 -5.883 12.068 -4.356 1.00 0.00 C ATOM 510 C GLY A 33 -4.449 12.552 -4.464 1.00 0.00 C ATOM 511 O GLY A 33 -4.206 13.710 -4.803 1.00 0.00 O ATOM 0 H GLY A 33 -6.043 9.993 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.530 12.734 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.204 12.127 -3.316 1.00 0.00 H new ATOM 515 N THR A 34 -3.499 11.670 -4.171 1.00 0.00 N ATOM 516 CA THR A 34 -2.084 12.025 -4.233 1.00 0.00 C ATOM 517 C THR A 34 -1.294 10.988 -5.032 1.00 0.00 C ATOM 518 O THR A 34 -1.803 10.420 -5.999 1.00 0.00 O ATOM 519 CB THR A 34 -1.512 12.153 -2.820 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.552 12.348 -1.877 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.535 13.298 -2.670 1.00 0.00 C ATOM 0 H THR A 34 -3.681 10.707 -3.889 1.00 0.00 H new ATOM 0 HA THR A 34 -1.994 12.985 -4.741 1.00 0.00 H new ATOM 0 HB THR A 34 -0.980 11.219 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.268 13.006 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.168 13.331 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.304 13.152 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.036 14.237 -2.907 1.00 0.00 H new ATOM 529 N GLU A 35 -0.051 10.742 -4.620 1.00 0.00 N ATOM 530 CA GLU A 35 0.804 9.778 -5.302 1.00 0.00 C ATOM 531 C GLU A 35 1.484 8.853 -4.299 1.00 0.00 C ATOM 532 O GLU A 35 1.509 9.130 -3.100 1.00 0.00 O ATOM 533 CB GLU A 35 1.857 10.503 -6.142 1.00 0.00 C ATOM 534 CG GLU A 35 1.280 11.240 -7.340 1.00 0.00 C ATOM 535 CD GLU A 35 2.328 11.576 -8.382 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.359 10.873 -8.435 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.118 12.542 -9.145 1.00 0.00 O ATOM 0 H GLU A 35 0.384 11.198 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 35 0.179 9.175 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.387 11.215 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.592 9.778 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.502 10.628 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.804 12.160 -7.000 1.00 0.00 H new ATOM 544 N LEU A 36 2.032 7.750 -4.799 1.00 0.00 N ATOM 545 CA LEU A 36 2.695 6.771 -3.944 1.00 0.00 C ATOM 546 C LEU A 36 4.079 7.256 -3.510 1.00 0.00 C ATOM 547 O LEU A 36 4.462 8.395 -3.778 1.00 0.00 O ATOM 548 CB LEU A 36 2.799 5.416 -4.658 1.00 0.00 C ATOM 549 CG LEU A 36 3.914 5.288 -5.704 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.838 3.930 -6.388 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.832 6.405 -6.735 1.00 0.00 C ATOM 0 H LEU A 36 2.030 7.512 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 36 2.089 6.648 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.945 4.642 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.846 5.211 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 36 4.872 5.374 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.634 3.850 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.954 3.141 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.872 3.825 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.635 6.288 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.870 6.359 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.933 7.369 -6.236 1.00 0.00 H new ATOM 563 N HIS A 37 4.807 6.391 -2.810 1.00 0.00 N ATOM 564 CA HIS A 37 6.132 6.725 -2.300 1.00 0.00 C ATOM 565 C HIS A 37 7.146 5.645 -2.644 1.00 0.00 C ATOM 566 O HIS A 37 7.951 5.793 -3.563 1.00 0.00 O ATOM 567 CB HIS A 37 6.070 6.886 -0.782 1.00 0.00 C ATOM 568 CG HIS A 37 7.397 7.158 -0.142 1.00 0.00 C ATOM 569 ND1 HIS A 37 8.002 8.389 -0.235 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.185 6.331 0.588 1.00 0.00 C ATOM 571 CE1 HIS A 37 9.138 8.284 0.432 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.291 7.056 0.946 1.00 0.00 N ATOM 0 H HIS A 37 4.498 5.446 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 37 6.448 7.658 -2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.388 7.702 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.648 5.980 -0.348 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.981 5.301 0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.852 9.086 0.548 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.081 6.724 1.499 1.00 0.00 H new ATOM 580 N LYS A 38 7.082 4.552 -1.896 1.00 0.00 N ATOM 581 CA LYS A 38 8.001 3.439 -2.068 1.00 0.00 C ATOM 582 C LYS A 38 7.448 2.195 -1.377 1.00 0.00 C ATOM 583 O LYS A 38 6.975 2.262 -0.243 1.00 0.00 O ATOM 584 CB LYS A 38 9.381 3.816 -1.509 1.00 0.00 C ATOM 585 CG LYS A 38 10.003 2.772 -0.595 1.00 0.00 C ATOM 586 CD LYS A 38 10.692 1.677 -1.391 1.00 0.00 C ATOM 587 CE LYS A 38 11.709 0.927 -0.545 1.00 0.00 C ATOM 588 NZ LYS A 38 12.536 -0.003 -1.364 1.00 0.00 N ATOM 0 H LYS A 38 6.394 4.414 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 38 8.110 3.216 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.058 3.999 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.292 4.753 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.724 3.250 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.231 2.333 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.947 0.978 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.189 2.114 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.359 1.642 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.191 0.364 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.216 -0.495 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.919 -0.701 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.051 0.537 -2.089 1.00 0.00 H new ATOM 602 N ILE A 39 7.472 1.070 -2.086 1.00 0.00 N ATOM 603 CA ILE A 39 6.912 -0.171 -1.567 1.00 0.00 C ATOM 604 C ILE A 39 7.959 -1.021 -0.853 1.00 0.00 C ATOM 605 O ILE A 39 9.160 -0.866 -1.071 1.00 0.00 O ATOM 606 CB ILE A 39 6.266 -0.994 -2.688 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.522 -0.061 -3.652 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.323 -2.030 -2.094 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.586 -0.773 -4.602 1.00 0.00 C ATOM 0 H ILE A 39 7.873 0.994 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 39 6.151 0.113 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 39 7.040 -1.520 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.951 0.663 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.253 0.501 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.868 -2.610 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.882 -2.696 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.543 -1.527 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.100 -0.043 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.152 -1.477 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.830 -1.313 -4.032 1.00 0.00 H new ATOM 621 N ASP A 40 7.486 -1.927 0.000 1.00 0.00 N ATOM 622 CA ASP A 40 8.368 -2.796 0.771 1.00 0.00 C ATOM 623 C ASP A 40 8.002 -4.265 0.593 1.00 0.00 C ATOM 624 O ASP A 40 6.929 -4.696 1.005 1.00 0.00 O ATOM 625 CB ASP A 40 8.277 -2.438 2.252 1.00 0.00 C ATOM 626 CG ASP A 40 9.637 -2.390 2.921 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.372 -1.404 2.700 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.966 -3.338 3.665 1.00 0.00 O ATOM 0 H ASP A 40 6.492 -2.078 0.174 1.00 0.00 H new ATOM 0 HA ASP A 40 9.384 -2.646 0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.788 -1.470 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.650 -3.170 2.762 1.00 0.00 H new ATOM 633 N GLU A 41 8.921 -5.043 0.033 1.00 0.00 N ATOM 634 CA GLU A 41 8.693 -6.471 -0.154 1.00 0.00 C ATOM 635 C GLU A 41 9.007 -7.233 1.133 1.00 0.00 C ATOM 636 O GLU A 41 10.004 -7.949 1.217 1.00 0.00 O ATOM 637 CB GLU A 41 9.555 -7.004 -1.302 1.00 0.00 C ATOM 638 CG GLU A 41 9.552 -6.111 -2.532 1.00 0.00 C ATOM 639 CD GLU A 41 10.933 -5.942 -3.134 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.350 -6.819 -3.920 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.596 -4.931 -2.823 1.00 0.00 O ATOM 0 H GLU A 41 9.827 -4.711 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 41 7.643 -6.622 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.580 -7.121 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.199 -7.995 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.882 -6.533 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.154 -5.132 -2.265 1.00 0.00 H new ATOM 648 N GLU A 42 8.162 -7.044 2.143 1.00 0.00 N ATOM 649 CA GLU A 42 8.348 -7.697 3.434 1.00 0.00 C ATOM 650 C GLU A 42 7.495 -8.956 3.534 1.00 0.00 C ATOM 651 O GLU A 42 6.343 -8.959 3.117 1.00 0.00 O ATOM 652 CB GLU A 42 7.991 -6.738 4.570 1.00 0.00 C ATOM 653 CG GLU A 42 9.202 -6.218 5.325 1.00 0.00 C ATOM 654 CD GLU A 42 8.978 -6.167 6.824 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.264 -7.047 7.348 1.00 0.00 O ATOM 656 OE2 GLU A 42 9.520 -5.248 7.473 1.00 0.00 O ATOM 0 H GLU A 42 7.340 -6.442 2.091 1.00 0.00 H new ATOM 0 HA GLU A 42 9.397 -7.980 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.437 -5.893 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.327 -7.246 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.060 -6.856 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.449 -5.220 4.964 1.00 0.00 H new ATOM 663 N PRO A 43 8.050 -10.046 4.091 1.00 0.00 N ATOM 664 CA PRO A 43 7.335 -11.308 4.224 1.00 0.00 C ATOM 665 C PRO A 43 6.486 -11.369 5.482 1.00 0.00 C ATOM 666 O PRO A 43 6.730 -10.647 6.449 1.00 0.00 O ATOM 667 CB PRO A 43 8.459 -12.338 4.273 1.00 0.00 C ATOM 668 CG PRO A 43 9.633 -11.615 4.856 1.00 0.00 C ATOM 669 CD PRO A 43 9.419 -10.135 4.622 1.00 0.00 C ATOM 0 HA PRO A 43 6.627 -11.468 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.181 -13.195 4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.687 -12.719 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.722 -11.826 5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.559 -11.947 4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.525 -9.567 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.146 -9.734 3.916 1.00 0.00 H new ATOM 677 N ILE A 44 5.466 -12.216 5.445 1.00 0.00 N ATOM 678 CA ILE A 44 4.530 -12.340 6.554 1.00 0.00 C ATOM 679 C ILE A 44 4.413 -13.785 7.028 1.00 0.00 C ATOM 680 O ILE A 44 5.053 -14.184 8.001 1.00 0.00 O ATOM 681 CB ILE A 44 3.137 -11.823 6.148 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.274 -10.674 5.139 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.353 -11.379 7.375 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.940 -9.436 5.708 1.00 0.00 C ATOM 0 H ILE A 44 5.265 -12.830 4.655 1.00 0.00 H new ATOM 0 HA ILE A 44 4.918 -11.736 7.374 1.00 0.00 H new ATOM 0 HB ILE A 44 2.586 -12.634 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.849 -11.023 4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.284 -10.406 4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.372 -11.017 7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.232 -12.223 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.893 -10.579 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.001 -8.668 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.354 -9.061 6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.944 -9.687 6.050 1.00 0.00 H new ATOM 696 N ALA A 45 3.575 -14.559 6.345 1.00 0.00 N ATOM 697 CA ALA A 45 3.364 -15.960 6.693 1.00 0.00 C ATOM 698 C ALA A 45 4.619 -16.790 6.430 1.00 0.00 C ATOM 699 O ALA A 45 5.740 -16.294 6.548 1.00 0.00 O ATOM 700 CB ALA A 45 2.179 -16.516 5.917 1.00 0.00 C ATOM 0 H ALA A 45 3.030 -14.238 5.545 1.00 0.00 H new ATOM 0 HA ALA A 45 3.147 -16.020 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.029 -17.562 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.283 -15.946 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.375 -16.438 4.848 1.00 0.00 H new ATOM 706 N PHE A 46 4.425 -18.053 6.060 1.00 0.00 N ATOM 707 CA PHE A 46 5.540 -18.947 5.775 1.00 0.00 C ATOM 708 C PHE A 46 6.228 -18.554 4.474 1.00 0.00 C ATOM 709 O PHE A 46 7.444 -18.681 4.338 1.00 0.00 O ATOM 710 CB PHE A 46 5.049 -20.395 5.688 1.00 0.00 C ATOM 711 CG PHE A 46 3.890 -20.586 4.750 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.105 -20.878 3.412 1.00 0.00 C ATOM 713 CD2 PHE A 46 2.587 -20.482 5.208 1.00 0.00 C ATOM 714 CE1 PHE A 46 3.041 -21.055 2.548 1.00 0.00 C ATOM 715 CE2 PHE A 46 1.519 -20.659 4.348 1.00 0.00 C ATOM 716 CZ PHE A 46 1.746 -20.946 3.017 1.00 0.00 C ATOM 0 H PHE A 46 3.505 -18.479 5.951 1.00 0.00 H new ATOM 0 HA PHE A 46 6.261 -18.863 6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.874 -21.030 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.758 -20.731 6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.115 -20.968 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.403 -20.260 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.222 -21.278 1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.508 -20.573 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.913 -21.085 2.344 1.00 0.00 H new ATOM 726 N GLY A 47 5.439 -18.059 3.527 1.00 0.00 N ATOM 727 CA GLY A 47 5.983 -17.648 2.246 1.00 0.00 C ATOM 728 C GLY A 47 5.177 -16.541 1.595 1.00 0.00 C ATOM 729 O GLY A 47 5.414 -16.192 0.439 1.00 0.00 O ATOM 0 H GLY A 47 4.431 -17.935 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.010 -17.311 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.017 -18.508 1.578 1.00 0.00 H new ATOM 733 N LEU A 48 4.218 -15.989 2.335 1.00 0.00 N ATOM 734 CA LEU A 48 3.377 -14.915 1.817 1.00 0.00 C ATOM 735 C LEU A 48 3.982 -13.554 2.134 1.00 0.00 C ATOM 736 O LEU A 48 3.878 -13.062 3.258 1.00 0.00 O ATOM 737 CB LEU A 48 1.961 -15.014 2.396 1.00 0.00 C ATOM 738 CG LEU A 48 1.378 -16.431 2.489 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.139 -16.378 2.624 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.771 -17.264 1.278 1.00 0.00 C ATOM 0 H LEU A 48 4.005 -16.268 3.293 1.00 0.00 H new ATOM 0 HA LEU A 48 3.319 -15.022 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.965 -14.576 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.295 -14.406 1.784 1.00 0.00 H new ATOM 0 HG LEU A 48 1.792 -16.906 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.534 -17.392 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.405 -15.827 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.564 -15.877 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.345 -18.263 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.393 -16.790 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.857 -17.337 1.223 1.00 0.00 H new ATOM 752 N VAL A 49 4.606 -12.944 1.131 1.00 0.00 N ATOM 753 CA VAL A 49 5.258 -11.653 1.304 1.00 0.00 C ATOM 754 C VAL A 49 4.328 -10.495 0.955 1.00 0.00 C ATOM 755 O VAL A 49 3.783 -10.427 -0.147 1.00 0.00 O ATOM 756 CB VAL A 49 6.532 -11.556 0.439 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.129 -10.155 0.498 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.552 -12.596 0.877 1.00 0.00 C ATOM 0 H VAL A 49 4.673 -13.326 0.187 1.00 0.00 H new ATOM 0 HA VAL A 49 5.527 -11.578 2.358 1.00 0.00 H new ATOM 0 HB VAL A 49 6.256 -11.757 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.026 -10.115 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.401 -9.433 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.388 -9.913 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.445 -12.514 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.818 -12.427 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.125 -13.593 0.768 1.00 0.00 H new ATOM 768 N ALA A 50 4.208 -9.553 1.886 1.00 0.00 N ATOM 769 CA ALA A 50 3.380 -8.373 1.689 1.00 0.00 C ATOM 770 C ALA A 50 4.209 -7.202 1.191 1.00 0.00 C ATOM 771 O ALA A 50 5.395 -7.086 1.503 1.00 0.00 O ATOM 772 CB ALA A 50 2.695 -7.984 2.987 1.00 0.00 C ATOM 0 H ALA A 50 4.679 -9.587 2.790 1.00 0.00 H new ATOM 0 HA ALA A 50 2.628 -8.618 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.079 -7.100 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.065 -8.806 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.448 -7.766 3.745 1.00 0.00 H new ATOM 778 N LEU A 51 3.572 -6.328 0.428 1.00 0.00 N ATOM 779 CA LEU A 51 4.239 -5.152 -0.101 1.00 0.00 C ATOM 780 C LEU A 51 3.670 -3.892 0.541 1.00 0.00 C ATOM 781 O LEU A 51 2.486 -3.588 0.399 1.00 0.00 O ATOM 782 CB LEU A 51 4.097 -5.103 -1.625 1.00 0.00 C ATOM 783 CG LEU A 51 3.784 -6.448 -2.297 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.656 -6.276 -3.803 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.851 -7.483 -1.970 1.00 0.00 C ATOM 0 H LEU A 51 2.591 -6.412 0.161 1.00 0.00 H new ATOM 0 HA LEU A 51 5.301 -5.208 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.306 -4.396 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.022 -4.711 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 51 2.832 -6.806 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.434 -7.240 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.850 -5.576 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.592 -5.889 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.605 -8.426 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.820 -7.132 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.894 -7.633 -0.891 1.00 0.00 H new ATOM 797 N ASN A 52 4.520 -3.186 1.276 1.00 0.00 N ATOM 798 CA ASN A 52 4.114 -1.980 1.980 1.00 0.00 C ATOM 799 C ASN A 52 4.297 -0.759 1.099 1.00 0.00 C ATOM 800 O ASN A 52 5.371 -0.159 1.055 1.00 0.00 O ATOM 801 CB ASN A 52 4.926 -1.830 3.269 1.00 0.00 C ATOM 802 CG ASN A 52 5.121 -3.153 3.982 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.277 -4.047 3.899 1.00 0.00 O ATOM 804 ND2 ASN A 52 6.237 -3.286 4.688 1.00 0.00 N ATOM 0 H ASN A 52 5.502 -3.432 1.399 1.00 0.00 H new ATOM 0 HA ASN A 52 3.057 -2.064 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.899 -1.399 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.420 -1.131 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.423 -4.155 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.909 -2.520 4.729 1.00 0.00 H new ATOM 811 N VAL A 53 3.225 -0.388 0.421 1.00 0.00 N ATOM 812 CA VAL A 53 3.239 0.746 -0.483 1.00 0.00 C ATOM 813 C VAL A 53 2.951 2.045 0.256 1.00 0.00 C ATOM 814 O VAL A 53 1.800 2.353 0.570 1.00 0.00 O ATOM 815 CB VAL A 53 2.200 0.574 -1.605 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.485 1.537 -2.748 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.174 -0.863 -2.097 1.00 0.00 C ATOM 0 H VAL A 53 2.324 -0.863 0.482 1.00 0.00 H new ATOM 0 HA VAL A 53 4.238 0.792 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 53 1.215 0.809 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.740 1.401 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.441 2.562 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.478 1.339 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.433 -0.963 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.157 -1.133 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.914 -1.526 -1.272 1.00 0.00 H new ATOM 827 N MET A 54 3.998 2.828 0.480 1.00 0.00 N ATOM 828 CA MET A 54 3.863 4.108 1.161 1.00 0.00 C ATOM 829 C MET A 54 3.467 5.192 0.169 1.00 0.00 C ATOM 830 O MET A 54 3.480 4.968 -1.039 1.00 0.00 O ATOM 831 CB MET A 54 5.179 4.483 1.849 1.00 0.00 C ATOM 832 CG MET A 54 5.657 3.443 2.850 1.00 0.00 C ATOM 833 SD MET A 54 7.448 3.229 2.827 1.00 0.00 S ATOM 834 CE MET A 54 7.601 1.597 3.548 1.00 0.00 C ATOM 0 H MET A 54 4.951 2.598 0.199 1.00 0.00 H new ATOM 0 HA MET A 54 3.083 4.020 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.949 4.626 1.090 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.054 5.437 2.360 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.343 3.737 3.852 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.178 2.488 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.654 1.320 3.602 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.175 1.601 4.551 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.067 0.875 2.930 1.00 0.00 H new ATOM 844 N VAL A 55 3.061 6.348 0.686 1.00 0.00 N ATOM 845 CA VAL A 55 2.624 7.446 -0.168 1.00 0.00 C ATOM 846 C VAL A 55 3.123 8.794 0.351 1.00 0.00 C ATOM 847 O VAL A 55 3.110 9.053 1.554 1.00 0.00 O ATOM 848 CB VAL A 55 1.084 7.483 -0.290 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.531 6.089 -0.532 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.450 8.097 0.949 1.00 0.00 C ATOM 0 H VAL A 55 3.026 6.547 1.686 1.00 0.00 H new ATOM 0 HA VAL A 55 3.055 7.268 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 55 0.833 8.110 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.555 6.138 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.948 5.688 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.803 5.440 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.634 8.110 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.716 7.505 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.813 9.117 1.076 1.00 0.00 H new ATOM 860 N VAL A 56 3.576 9.642 -0.568 1.00 0.00 N ATOM 861 CA VAL A 56 4.056 10.972 -0.205 1.00 0.00 C ATOM 862 C VAL A 56 2.949 12.008 -0.366 1.00 0.00 C ATOM 863 O VAL A 56 2.529 12.311 -1.483 1.00 0.00 O ATOM 864 CB VAL A 56 5.265 11.402 -1.059 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.255 12.198 -0.221 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.941 10.195 -1.691 1.00 0.00 C ATOM 0 H VAL A 56 3.621 9.433 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 56 4.367 10.918 0.838 1.00 0.00 H new ATOM 0 HB VAL A 56 4.903 12.043 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.102 12.493 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.765 13.089 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.608 11.583 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.791 10.525 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.288 9.521 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.229 9.673 -2.330 1.00 0.00 H new ATOM 876 N VAL A 57 2.474 12.543 0.754 1.00 0.00 N ATOM 877 CA VAL A 57 1.416 13.546 0.729 1.00 0.00 C ATOM 878 C VAL A 57 1.792 14.759 1.576 1.00 0.00 C ATOM 879 O VAL A 57 2.503 14.635 2.574 1.00 0.00 O ATOM 880 CB VAL A 57 0.074 12.969 1.229 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.282 11.703 0.464 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.123 12.698 2.725 1.00 0.00 C ATOM 0 H VAL A 57 2.804 12.299 1.688 1.00 0.00 H new ATOM 0 HA VAL A 57 1.297 13.855 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.704 13.711 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.231 11.311 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.370 11.932 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.499 10.957 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.834 12.292 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.914 11.980 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.324 13.628 3.257 1.00 0.00 H new ATOM 892 N GLY A 58 1.321 15.931 1.163 1.00 0.00 N ATOM 893 CA GLY A 58 1.620 17.149 1.892 1.00 0.00 C ATOM 894 C GLY A 58 0.739 18.308 1.469 1.00 0.00 C ATOM 895 O GLY A 58 -0.152 18.721 2.211 1.00 0.00 O ATOM 0 H GLY A 58 0.737 16.059 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.493 16.970 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.665 17.415 1.736 1.00 0.00 H new ATOM 899 N ASP A 59 0.986 18.830 0.272 1.00 0.00 N ATOM 900 CA ASP A 59 0.200 19.940 -0.253 1.00 0.00 C ATOM 901 C ASP A 59 -1.107 19.434 -0.852 1.00 0.00 C ATOM 902 O ASP A 59 -1.920 20.215 -1.348 1.00 0.00 O ATOM 903 CB ASP A 59 1.000 20.703 -1.312 1.00 0.00 C ATOM 904 CG ASP A 59 0.372 22.037 -1.664 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.123 22.839 -0.740 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.131 22.280 -2.865 1.00 0.00 O ATOM 0 H ASP A 59 1.723 18.502 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.032 20.616 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.014 20.867 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.079 20.093 -2.212 1.00 0.00 H new ATOM 911 N ALA A 60 -1.298 18.120 -0.802 1.00 0.00 N ATOM 912 CA ALA A 60 -2.503 17.495 -1.332 1.00 0.00 C ATOM 913 C ALA A 60 -3.733 17.882 -0.513 1.00 0.00 C ATOM 914 O ALA A 60 -3.773 18.949 0.099 1.00 0.00 O ATOM 915 CB ALA A 60 -2.334 15.983 -1.361 1.00 0.00 C ATOM 0 H ALA A 60 -0.629 17.465 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.656 17.855 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.239 15.523 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.487 15.724 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.155 15.617 -0.350 1.00 0.00 H new ATOM 921 N GLU A 61 -4.731 17.004 -0.502 1.00 0.00 N ATOM 922 CA GLU A 61 -5.962 17.251 0.238 1.00 0.00 C ATOM 923 C GLU A 61 -6.547 15.947 0.761 1.00 0.00 C ATOM 924 O GLU A 61 -5.861 14.925 0.812 1.00 0.00 O ATOM 925 CB GLU A 61 -6.988 17.961 -0.649 1.00 0.00 C ATOM 926 CG GLU A 61 -6.731 17.791 -2.139 1.00 0.00 C ATOM 927 CD GLU A 61 -7.519 18.774 -2.982 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.750 18.867 -2.792 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.905 19.449 -3.835 1.00 0.00 O ATOM 0 H GLU A 61 -4.710 16.113 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.723 17.893 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.982 17.580 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.989 19.024 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.667 17.919 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.990 16.775 -2.435 1.00 0.00 H new ATOM 936 N GLY A 62 -7.821 15.984 1.133 1.00 0.00 N ATOM 937 CA GLY A 62 -8.481 14.789 1.617 1.00 0.00 C ATOM 938 C GLY A 62 -8.935 13.904 0.477 1.00 0.00 C ATOM 939 O GLY A 62 -9.737 12.990 0.667 1.00 0.00 O ATOM 0 H GLY A 62 -8.407 16.819 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.801 14.233 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.341 15.069 2.226 1.00 0.00 H new ATOM 943 N GLY A 63 -8.414 14.184 -0.715 1.00 0.00 N ATOM 944 CA GLY A 63 -8.771 13.405 -1.885 1.00 0.00 C ATOM 945 C GLY A 63 -8.198 12.003 -1.845 1.00 0.00 C ATOM 946 O GLY A 63 -8.520 11.171 -2.692 1.00 0.00 O ATOM 0 H GLY A 63 -7.750 14.938 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.857 13.348 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.414 13.915 -2.780 1.00 0.00 H new ATOM 950 N THR A 64 -7.351 11.739 -0.854 1.00 0.00 N ATOM 951 CA THR A 64 -6.750 10.421 -0.703 1.00 0.00 C ATOM 952 C THR A 64 -7.776 9.432 -0.170 1.00 0.00 C ATOM 953 O THR A 64 -7.502 8.239 -0.049 1.00 0.00 O ATOM 954 CB THR A 64 -5.544 10.476 0.234 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.948 10.303 1.581 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.770 11.773 0.149 1.00 0.00 C ATOM 0 H THR A 64 -7.067 12.418 -0.148 1.00 0.00 H new ATOM 0 HA THR A 64 -6.410 10.089 -1.684 1.00 0.00 H new ATOM 0 HB THR A 64 -4.892 9.666 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.162 10.339 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.929 11.741 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.399 11.909 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.424 12.605 0.411 1.00 0.00 H new ATOM 964 N GLU A 65 -8.962 9.946 0.145 1.00 0.00 N ATOM 965 CA GLU A 65 -10.057 9.115 0.624 1.00 0.00 C ATOM 966 C GLU A 65 -10.335 7.993 -0.359 1.00 0.00 C ATOM 967 O GLU A 65 -10.868 6.943 0.002 1.00 0.00 O ATOM 968 CB GLU A 65 -11.314 9.961 0.798 1.00 0.00 C ATOM 969 CG GLU A 65 -11.691 10.753 -0.443 1.00 0.00 C ATOM 970 CD GLU A 65 -12.821 11.732 -0.191 1.00 0.00 C ATOM 971 OE1 GLU A 65 -12.921 12.245 0.944 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.605 11.987 -1.129 1.00 0.00 O ATOM 0 H GLU A 65 -9.187 10.938 0.076 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.773 8.685 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.145 9.310 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.165 10.651 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.817 11.297 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.983 10.063 -1.235 1.00 0.00 H new ATOM 979 N ALA A 66 -9.950 8.228 -1.605 1.00 0.00 N ATOM 980 CA ALA A 66 -10.158 7.257 -2.672 1.00 0.00 C ATOM 981 C ALA A 66 -9.510 5.922 -2.330 1.00 0.00 C ATOM 982 O ALA A 66 -9.995 4.870 -2.735 1.00 0.00 O ATOM 983 CB ALA A 66 -9.606 7.785 -3.988 1.00 0.00 C ATOM 0 H ALA A 66 -9.489 9.087 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.231 7.100 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.770 7.047 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.115 8.713 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.537 7.974 -3.885 1.00 0.00 H new ATOM 989 N ALA A 67 -8.437 5.968 -1.547 1.00 0.00 N ATOM 990 CA ALA A 67 -7.744 4.752 -1.140 1.00 0.00 C ATOM 991 C ALA A 67 -8.672 3.867 -0.322 1.00 0.00 C ATOM 992 O ALA A 67 -8.899 2.706 -0.663 1.00 0.00 O ATOM 993 CB ALA A 67 -6.493 5.090 -0.345 1.00 0.00 C ATOM 0 H ALA A 67 -8.030 6.830 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.443 4.208 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.989 4.169 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.822 5.690 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.769 5.654 0.546 1.00 0.00 H new ATOM 999 N GLU A 68 -9.229 4.432 0.745 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.165 3.704 1.589 1.00 0.00 C ATOM 1001 C GLU A 68 -11.364 3.240 0.768 1.00 0.00 C ATOM 1002 O GLU A 68 -11.942 2.186 1.031 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.634 4.583 2.749 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.524 4.964 3.714 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.025 5.153 5.133 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.776 6.122 5.372 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.667 4.333 6.004 1.00 0.00 O ATOM 0 H GLU A 68 -9.048 5.390 1.044 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.656 2.831 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.082 5.492 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.416 4.058 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.757 4.190 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.052 5.885 3.373 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.751 4.056 -0.211 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.858 3.720 -1.095 1.00 0.00 C ATOM 1016 C GLU A 69 -12.537 2.455 -1.879 1.00 0.00 C ATOM 1017 O GLU A 69 -13.331 1.516 -1.921 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.141 4.877 -2.056 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.548 5.439 -1.935 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.700 6.785 -2.615 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -13.833 7.659 -2.400 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.684 6.967 -3.361 1.00 0.00 O ATOM 0 H GLU A 69 -11.312 4.955 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.747 3.544 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.423 5.676 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.982 4.536 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.255 4.734 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.806 5.538 -0.881 1.00 0.00 H new ATOM 1029 N SER A 70 -11.366 2.450 -2.509 1.00 0.00 N ATOM 1030 CA SER A 70 -10.906 1.298 -3.270 1.00 0.00 C ATOM 1031 C SER A 70 -10.707 0.104 -2.348 1.00 0.00 C ATOM 1032 O SER A 70 -10.644 -1.038 -2.797 1.00 0.00 O ATOM 1033 CB SER A 70 -9.600 1.630 -3.995 1.00 0.00 C ATOM 1034 OG SER A 70 -8.482 1.428 -3.151 1.00 0.00 O ATOM 0 H SER A 70 -10.717 3.237 -2.506 1.00 0.00 H new ATOM 0 HA SER A 70 -11.663 1.044 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.506 1.006 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.622 2.666 -4.333 1.00 0.00 H new ATOM 0 HG SER A 70 -8.635 1.875 -2.293 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.624 0.382 -1.049 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.447 -0.660 -0.046 1.00 0.00 C ATOM 1042 C LEU A 71 -11.741 -1.441 0.141 1.00 0.00 C ATOM 1043 O LEU A 71 -11.724 -2.629 0.466 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.018 -0.039 1.285 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.623 -0.435 1.773 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.554 -1.935 2.014 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.558 0.004 0.778 1.00 0.00 C ATOM 0 H LEU A 71 -10.677 1.326 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.670 -1.344 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.057 1.046 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.745 -0.318 2.048 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.430 0.074 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.556 -2.202 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.288 -2.216 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.769 -2.463 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.574 -0.288 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.742 -0.472 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.595 1.087 0.660 1.00 0.00 H new ATOM 1059 N SER A 72 -12.863 -0.763 -0.077 1.00 0.00 N ATOM 1060 CA SER A 72 -14.174 -1.385 0.042 1.00 0.00 C ATOM 1061 C SER A 72 -14.345 -2.484 -1.002 1.00 0.00 C ATOM 1062 O SER A 72 -15.276 -3.287 -0.934 1.00 0.00 O ATOM 1063 CB SER A 72 -15.267 -0.328 -0.120 1.00 0.00 C ATOM 1064 OG SER A 72 -16.218 -0.409 0.927 1.00 0.00 O ATOM 0 H SER A 72 -12.889 0.223 -0.338 1.00 0.00 H new ATOM 0 HA SER A 72 -14.257 -1.836 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.817 0.665 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.766 -0.462 -1.080 1.00 0.00 H new ATOM 0 HG SER A 72 -16.904 0.279 0.800 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.425 -2.513 -1.961 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.457 -3.516 -3.010 1.00 0.00 C ATOM 1072 C GLY A 73 -12.068 -3.819 -3.529 1.00 0.00 C ATOM 1073 O GLY A 73 -11.888 -4.184 -4.690 1.00 0.00 O ATOM 0 H GLY A 73 -12.651 -1.853 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.911 -4.430 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.085 -3.167 -3.830 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.086 -3.653 -2.653 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.686 -3.878 -2.992 1.00 0.00 C ATOM 1079 C ILE A 74 -9.389 -5.372 -3.139 1.00 0.00 C ATOM 1080 O ILE A 74 -10.308 -6.183 -3.250 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.769 -3.250 -1.916 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.408 -2.885 -2.510 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.609 -4.180 -0.721 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.290 -1.425 -2.887 1.00 0.00 C ATOM 0 H ILE A 74 -11.237 -3.359 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.486 -3.399 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.243 -2.334 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.628 -3.131 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.230 -3.497 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.960 -3.713 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.586 -4.373 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.167 -5.121 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.300 -1.235 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.048 -1.179 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.437 -0.807 -2.001 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.105 -5.728 -3.136 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.691 -7.122 -3.266 1.00 0.00 C ATOM 1098 C GLU A 75 -8.430 -8.004 -2.260 1.00 0.00 C ATOM 1099 O GLU A 75 -8.074 -8.056 -1.082 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.179 -7.235 -3.054 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.394 -7.412 -4.343 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.356 -6.149 -5.180 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.267 -5.961 -6.012 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.415 -5.346 -5.001 1.00 0.00 O ATOM 0 H GLU A 75 -7.333 -5.068 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.941 -7.466 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.825 -6.340 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.975 -8.080 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.375 -7.716 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.839 -8.218 -4.927 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.472 -8.683 -2.737 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.270 -9.538 -1.874 1.00 0.00 C ATOM 1113 C GLY A 76 -9.458 -10.635 -1.216 1.00 0.00 C ATOM 1114 O GLY A 76 -9.739 -11.029 -0.083 1.00 0.00 O ATOM 0 H GLY A 76 -9.778 -8.655 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.741 -8.929 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.073 -9.988 -2.459 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.449 -11.129 -1.924 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.590 -12.184 -1.400 1.00 0.00 C ATOM 1120 C VAL A 77 -6.445 -11.591 -0.596 1.00 0.00 C ATOM 1121 O VAL A 77 -6.064 -12.119 0.448 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.011 -13.049 -2.535 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.329 -14.287 -1.971 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.099 -13.433 -3.524 1.00 0.00 C ATOM 0 H VAL A 77 -8.206 -10.815 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.204 -12.812 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.262 -12.462 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.927 -14.885 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.518 -13.985 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.054 -14.878 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.670 -14.044 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.875 -14.000 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.534 -12.531 -3.955 1.00 0.00 H new ATOM 1134 N SER A 78 -5.918 -10.476 -1.081 1.00 0.00 N ATOM 1135 CA SER A 78 -4.821 -9.795 -0.417 1.00 0.00 C ATOM 1136 C SER A 78 -5.337 -8.673 0.469 1.00 0.00 C ATOM 1137 O SER A 78 -5.523 -7.545 0.012 1.00 0.00 O ATOM 1138 CB SER A 78 -3.846 -9.224 -1.450 1.00 0.00 C ATOM 1139 OG SER A 78 -2.804 -8.497 -0.823 1.00 0.00 O ATOM 0 H SER A 78 -6.236 -10.023 -1.938 1.00 0.00 H new ATOM 0 HA SER A 78 -4.301 -10.523 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.422 -10.036 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.383 -8.573 -2.140 1.00 0.00 H new ATOM 0 HG SER A 78 -3.069 -7.558 -0.732 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.575 -8.982 1.739 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.019 -7.959 2.679 1.00 0.00 C ATOM 1147 C ASN A 79 -4.832 -7.131 3.101 1.00 0.00 C ATOM 1148 O ASN A 79 -3.759 -7.660 3.393 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.698 -8.551 3.913 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.731 -7.604 4.518 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.863 -8.009 4.788 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.358 -6.334 4.740 1.00 0.00 N ATOM 0 H ASN A 79 -5.470 -9.916 2.136 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.760 -7.341 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.183 -9.489 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.942 -8.787 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.020 -5.671 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.413 -6.032 4.505 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.024 -5.833 3.120 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.948 -4.926 3.422 1.00 0.00 C ATOM 1161 C ILE A 80 -4.007 -4.408 4.849 1.00 0.00 C ATOM 1162 O ILE A 80 -5.084 -4.210 5.413 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.987 -3.729 2.470 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.147 -4.197 1.024 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.739 -2.894 2.633 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.231 -3.465 0.265 1.00 0.00 C ATOM 0 H ILE A 80 -5.919 -5.383 2.929 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.022 -5.488 3.300 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.849 -3.111 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.199 -4.067 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.369 -5.264 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.778 -2.045 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.675 -2.532 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.863 -3.502 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.286 -3.851 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.189 -3.616 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.000 -2.400 0.238 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.831 -4.141 5.404 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.724 -3.522 6.707 1.00 0.00 C ATOM 1180 C GLU A 81 -2.795 -2.024 6.498 1.00 0.00 C ATOM 1181 O GLU A 81 -1.791 -1.314 6.578 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.412 -3.909 7.391 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.481 -3.871 8.909 1.00 0.00 C ATOM 1184 CD GLU A 81 -2.523 -4.818 9.471 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.732 -5.894 8.873 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -3.132 -4.482 10.508 1.00 0.00 O ATOM 0 H GLU A 81 -1.935 -4.348 4.963 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.532 -3.860 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.129 -4.913 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.624 -3.235 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.504 -4.127 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.707 -2.855 9.233 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.982 -1.579 6.115 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.217 -0.195 5.760 1.00 0.00 C ATOM 1195 C VAL A 82 -4.414 0.664 7.006 1.00 0.00 C ATOM 1196 O VAL A 82 -5.410 1.374 7.149 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.450 -0.097 4.836 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.695 1.342 4.403 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.272 -0.996 3.625 1.00 0.00 C ATOM 0 H VAL A 82 -4.809 -2.172 6.043 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.342 0.182 5.231 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.324 -0.432 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.569 1.383 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.868 1.962 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.824 1.713 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.148 -0.918 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.386 -0.688 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.154 -2.029 3.953 1.00 0.00 H new ATOM 1209 N THR A 83 -3.471 0.550 7.934 1.00 0.00 N ATOM 1210 CA THR A 83 -3.526 1.313 9.170 1.00 0.00 C ATOM 1211 C THR A 83 -2.185 1.970 9.495 1.00 0.00 C ATOM 1212 O THR A 83 -1.992 2.455 10.612 1.00 0.00 O ATOM 1213 CB THR A 83 -3.949 0.405 10.326 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.891 -0.557 9.887 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.565 1.160 11.482 1.00 0.00 C ATOM 0 H THR A 83 -2.660 -0.064 7.852 1.00 0.00 H new ATOM 0 HA THR A 83 -4.261 2.106 9.034 1.00 0.00 H new ATOM 0 HB THR A 83 -3.032 -0.071 10.673 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.149 -1.130 10.639 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.843 0.458 12.268 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.844 1.877 11.874 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.453 1.690 11.138 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.230 1.935 8.562 1.00 0.00 N ATOM 1224 CA ASP A 84 0.077 2.509 8.826 1.00 0.00 C ATOM 1225 C ASP A 84 0.081 4.012 8.580 1.00 0.00 C ATOM 1226 O ASP A 84 -0.611 4.513 7.693 1.00 0.00 O ATOM 1227 CB ASP A 84 1.137 1.823 7.974 1.00 0.00 C ATOM 1228 CG ASP A 84 1.482 0.437 8.484 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.577 -0.423 8.526 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.657 0.213 8.843 1.00 0.00 O ATOM 0 H ASP A 84 -1.340 1.522 7.636 1.00 0.00 H new ATOM 0 HA ASP A 84 0.312 2.345 9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.782 1.751 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.038 2.436 7.958 1.00 0.00 H new