USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 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 Set 1.1: A 9 LYS NZ :NH3+ 139:sc= 0.138 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -6.2! C(o=-6.1!,f=-6!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.771 USER MOD Set 2.2: A 54 MET CE :methyl -142:sc= -0.0143 (180deg=-3.46!) USER MOD Single : A 11 MET CE :methyl -167:sc= -1.78 (180deg=-2.45!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.238 (180deg=-1.28!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.956 USER MOD Single : A 37 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-8.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= -1.48 USER MOD Single : A 79 ASN : amide:sc= -3.47! K(o=-3.5!,f=-0.067) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 4.140 13.983 5.019 1.00 0.00 N ATOM 40 CA VAL A 4 3.380 12.896 5.629 1.00 0.00 C ATOM 41 C VAL A 4 3.401 11.654 4.740 1.00 0.00 C ATOM 42 O VAL A 4 2.842 11.656 3.646 1.00 0.00 O ATOM 43 CB VAL A 4 1.919 13.303 5.892 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.219 12.258 6.749 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.855 14.672 6.550 1.00 0.00 C ATOM 0 HA VAL A 4 3.857 12.671 6.583 1.00 0.00 H new ATOM 0 HB VAL A 4 1.400 13.362 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.187 12.563 6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.231 11.298 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.737 12.164 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.814 14.942 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.390 14.645 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.315 15.412 5.895 1.00 0.00 H new ATOM 55 N VAL A 5 4.036 10.590 5.222 1.00 0.00 N ATOM 56 CA VAL A 5 4.134 9.349 4.461 1.00 0.00 C ATOM 57 C VAL A 5 3.187 8.283 5.011 1.00 0.00 C ATOM 58 O VAL A 5 3.367 7.806 6.128 1.00 0.00 O ATOM 59 CB VAL A 5 5.577 8.796 4.489 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.619 7.354 4.002 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.500 9.673 3.656 1.00 0.00 C ATOM 0 H VAL A 5 4.490 10.562 6.135 1.00 0.00 H new ATOM 0 HA VAL A 5 3.852 9.583 3.434 1.00 0.00 H new ATOM 0 HB VAL A 5 5.926 8.811 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.646 6.990 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.995 6.734 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.246 7.304 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.512 9.269 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.149 9.694 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.501 10.686 4.059 1.00 0.00 H new ATOM 71 N ALA A 6 2.200 7.884 4.212 1.00 0.00 N ATOM 72 CA ALA A 6 1.278 6.829 4.619 1.00 0.00 C ATOM 73 C ALA A 6 1.785 5.486 4.114 1.00 0.00 C ATOM 74 O ALA A 6 2.695 5.442 3.291 1.00 0.00 O ATOM 75 CB ALA A 6 -0.126 7.106 4.101 1.00 0.00 C ATOM 0 H ALA A 6 2.020 8.272 3.286 1.00 0.00 H new ATOM 0 HA ALA A 6 1.229 6.803 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.795 6.306 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.481 8.055 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.109 7.156 3.012 1.00 0.00 H new ATOM 81 N THR A 7 1.230 4.392 4.624 1.00 0.00 N ATOM 82 CA THR A 7 1.679 3.072 4.201 1.00 0.00 C ATOM 83 C THR A 7 0.529 2.076 4.082 1.00 0.00 C ATOM 84 O THR A 7 -0.338 1.978 4.963 1.00 0.00 O ATOM 85 CB THR A 7 2.737 2.533 5.158 1.00 0.00 C ATOM 86 OG1 THR A 7 3.715 3.519 5.434 1.00 0.00 O ATOM 87 CG2 THR A 7 3.447 1.308 4.627 1.00 0.00 C ATOM 0 H THR A 7 0.482 4.391 5.318 1.00 0.00 H new ATOM 0 HA THR A 7 2.114 3.190 3.209 1.00 0.00 H new ATOM 0 HB THR A 7 2.198 2.256 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.383 3.153 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.187 0.973 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.721 0.513 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.945 1.554 3.689 1.00 0.00 H new ATOM 95 N ILE A 8 0.575 1.312 2.994 1.00 0.00 N ATOM 96 CA ILE A 8 -0.429 0.305 2.686 1.00 0.00 C ATOM 97 C ILE A 8 0.245 -1.057 2.461 1.00 0.00 C ATOM 98 O ILE A 8 0.938 -1.253 1.464 1.00 0.00 O ATOM 99 CB ILE A 8 -1.218 0.710 1.423 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.656 2.181 1.507 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.415 -0.195 1.229 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.812 2.434 2.457 1.00 0.00 C ATOM 0 H ILE A 8 1.317 1.377 2.297 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.118 0.229 3.527 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.563 0.598 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.804 2.784 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.938 2.522 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.958 0.107 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.078 -1.226 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.073 -0.119 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.058 3.496 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.681 1.860 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.529 2.127 3.464 1.00 0.00 H new ATOM 114 N LYS A 9 0.116 -1.958 3.439 1.00 0.00 N ATOM 115 CA LYS A 9 0.771 -3.272 3.375 1.00 0.00 C ATOM 116 C LYS A 9 -0.170 -4.363 2.873 1.00 0.00 C ATOM 117 O LYS A 9 -0.925 -4.947 3.645 1.00 0.00 O ATOM 118 CB LYS A 9 1.313 -3.662 4.751 1.00 0.00 C ATOM 119 CG LYS A 9 1.444 -2.495 5.723 1.00 0.00 C ATOM 120 CD LYS A 9 2.887 -2.062 5.897 1.00 0.00 C ATOM 121 CE LYS A 9 3.637 -2.974 6.854 1.00 0.00 C ATOM 122 NZ LYS A 9 5.029 -2.502 7.094 1.00 0.00 N ATOM 0 H LYS A 9 -0.434 -1.804 4.284 1.00 0.00 H new ATOM 0 HA LYS A 9 1.592 -3.184 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.656 -4.413 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.290 -4.128 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.854 -1.653 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.032 -2.781 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.386 -2.062 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.917 -1.039 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.102 -3.024 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.661 -3.985 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.264 -2.612 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.690 -3.064 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.106 -1.500 6.828 1.00 0.00 H new ATOM 136 N VAL A 10 -0.095 -4.662 1.586 1.00 0.00 N ATOM 137 CA VAL A 10 -0.985 -5.653 0.977 1.00 0.00 C ATOM 138 C VAL A 10 -0.351 -7.047 0.943 1.00 0.00 C ATOM 139 O VAL A 10 0.824 -7.198 0.613 1.00 0.00 O ATOM 140 CB VAL A 10 -1.416 -5.221 -0.451 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.071 -3.757 -0.695 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.798 -6.104 -1.527 1.00 0.00 C ATOM 0 H VAL A 10 0.569 -4.237 0.939 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.874 -5.706 1.605 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.497 -5.343 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.381 -3.473 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.590 -3.135 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.005 -3.615 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.127 -5.765 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.289 -6.043 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.113 -7.137 -1.375 1.00 0.00 H new ATOM 152 N MET A 11 -1.143 -8.063 1.296 1.00 0.00 N ATOM 153 CA MET A 11 -0.666 -9.444 1.292 1.00 0.00 C ATOM 154 C MET A 11 -1.792 -10.423 0.922 1.00 0.00 C ATOM 155 O MET A 11 -2.838 -10.469 1.580 1.00 0.00 O ATOM 156 CB MET A 11 -0.044 -9.801 2.657 1.00 0.00 C ATOM 157 CG MET A 11 -0.680 -10.991 3.366 1.00 0.00 C ATOM 158 SD MET A 11 0.487 -12.335 3.648 1.00 0.00 S ATOM 159 CE MET A 11 -0.632 -13.688 3.997 1.00 0.00 C ATOM 0 H MET A 11 -2.114 -7.953 1.587 1.00 0.00 H new ATOM 0 HA MET A 11 0.107 -9.535 0.529 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.016 -10.008 2.513 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.113 -8.930 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.089 -10.663 4.322 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.516 -11.359 2.771 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.072 -14.525 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.385 -13.361 4.714 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.121 -14.003 3.075 1.00 0.00 H new ATOM 169 N PRO A 12 -1.579 -11.230 -0.138 1.00 0.00 N ATOM 170 CA PRO A 12 -2.549 -12.229 -0.606 1.00 0.00 C ATOM 171 C PRO A 12 -2.614 -13.441 0.317 1.00 0.00 C ATOM 172 O PRO A 12 -1.603 -14.096 0.569 1.00 0.00 O ATOM 173 CB PRO A 12 -2.013 -12.643 -1.991 1.00 0.00 C ATOM 174 CG PRO A 12 -0.930 -11.668 -2.303 1.00 0.00 C ATOM 175 CD PRO A 12 -0.384 -11.224 -0.981 1.00 0.00 C ATOM 0 HA PRO A 12 -3.562 -11.827 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.630 -13.664 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.801 -12.609 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.152 -12.130 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.318 -10.821 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.382 -11.904 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.069 -10.234 -1.039 1.00 0.00 H new ATOM 183 N GLU A 13 -3.806 -13.718 0.836 1.00 0.00 N ATOM 184 CA GLU A 13 -4.005 -14.848 1.738 1.00 0.00 C ATOM 185 C GLU A 13 -3.585 -16.162 1.087 1.00 0.00 C ATOM 186 O GLU A 13 -3.140 -17.086 1.766 1.00 0.00 O ATOM 187 CB GLU A 13 -5.471 -14.931 2.167 1.00 0.00 C ATOM 188 CG GLU A 13 -5.729 -14.395 3.565 1.00 0.00 C ATOM 189 CD GLU A 13 -5.043 -15.216 4.641 1.00 0.00 C ATOM 190 OE1 GLU A 13 -5.030 -16.459 4.520 1.00 0.00 O ATOM 191 OE2 GLU A 13 -4.522 -14.615 5.604 1.00 0.00 O ATOM 0 H GLU A 13 -4.649 -13.176 0.648 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.378 -14.686 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.081 -14.374 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.796 -15.970 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.382 -13.363 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.803 -14.382 3.753 1.00 0.00 H new ATOM 198 N SER A 14 -3.752 -16.246 -0.229 1.00 0.00 N ATOM 199 CA SER A 14 -3.398 -17.451 -0.968 1.00 0.00 C ATOM 200 C SER A 14 -1.889 -17.543 -1.175 1.00 0.00 C ATOM 201 O SER A 14 -1.201 -16.524 -1.226 1.00 0.00 O ATOM 202 CB SER A 14 -4.113 -17.472 -2.321 1.00 0.00 C ATOM 203 OG SER A 14 -5.240 -18.329 -2.290 1.00 0.00 O ATOM 0 H SER A 14 -4.130 -15.494 -0.805 1.00 0.00 H new ATOM 0 HA SER A 14 -3.717 -18.313 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.427 -16.462 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.422 -17.803 -3.096 1.00 0.00 H new ATOM 0 HG SER A 14 -5.680 -18.323 -3.166 1.00 0.00 H new ATOM 209 N PRO A 15 -1.349 -18.772 -1.302 1.00 0.00 N ATOM 210 CA PRO A 15 0.088 -18.982 -1.510 1.00 0.00 C ATOM 211 C PRO A 15 0.552 -18.476 -2.872 1.00 0.00 C ATOM 212 O PRO A 15 1.738 -18.535 -3.199 1.00 0.00 O ATOM 213 CB PRO A 15 0.250 -20.500 -1.416 1.00 0.00 C ATOM 214 CG PRO A 15 -1.091 -21.049 -1.761 1.00 0.00 C ATOM 215 CD PRO A 15 -2.091 -20.047 -1.255 1.00 0.00 C ATOM 0 HA PRO A 15 0.689 -18.436 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.014 -20.860 -2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.556 -20.804 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.190 -21.190 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.245 -22.023 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.982 -20.017 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.420 -20.283 -0.243 1.00 0.00 H new ATOM 223 N ASP A 16 -0.398 -17.998 -3.669 1.00 0.00 N ATOM 224 CA ASP A 16 -0.098 -17.459 -4.988 1.00 0.00 C ATOM 225 C ASP A 16 0.141 -15.958 -4.898 1.00 0.00 C ATOM 226 O ASP A 16 -0.354 -15.189 -5.720 1.00 0.00 O ATOM 227 CB ASP A 16 -1.245 -17.753 -5.957 1.00 0.00 C ATOM 228 CG ASP A 16 -0.817 -18.631 -7.118 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.352 -19.070 -7.133 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.653 -18.882 -8.011 1.00 0.00 O ATOM 0 H ASP A 16 -1.387 -17.974 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 16 0.806 -17.938 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.056 -18.241 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.640 -16.813 -6.343 1.00 0.00 H new ATOM 235 N VAL A 17 0.902 -15.557 -3.886 1.00 0.00 N ATOM 236 CA VAL A 17 1.201 -14.147 -3.651 1.00 0.00 C ATOM 237 C VAL A 17 2.039 -13.557 -4.788 1.00 0.00 C ATOM 238 O VAL A 17 3.249 -13.371 -4.651 1.00 0.00 O ATOM 239 CB VAL A 17 1.956 -13.951 -2.317 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.337 -12.489 -2.106 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.119 -14.461 -1.154 1.00 0.00 C ATOM 0 H VAL A 17 1.326 -16.192 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 17 0.245 -13.626 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 17 2.878 -14.531 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.867 -12.384 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.982 -12.160 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.435 -11.877 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.665 -14.316 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.179 -13.911 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.913 -15.522 -1.292 1.00 0.00 H new ATOM 251 N ASP A 18 1.397 -13.294 -5.923 1.00 0.00 N ATOM 252 CA ASP A 18 2.080 -12.683 -7.056 1.00 0.00 C ATOM 253 C ASP A 18 2.408 -11.231 -6.734 1.00 0.00 C ATOM 254 O ASP A 18 1.587 -10.341 -6.948 1.00 0.00 O ATOM 255 CB ASP A 18 1.213 -12.762 -8.314 1.00 0.00 C ATOM 256 CG ASP A 18 1.128 -14.168 -8.873 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.164 -15.128 -8.076 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.027 -14.310 -10.110 1.00 0.00 O ATOM 0 H ASP A 18 0.409 -13.494 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 18 3.005 -13.227 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.209 -12.405 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.621 -12.096 -9.075 1.00 0.00 H new ATOM 263 N LEU A 19 3.574 -11.011 -6.138 1.00 0.00 N ATOM 264 CA LEU A 19 3.978 -9.672 -5.723 1.00 0.00 C ATOM 265 C LEU A 19 4.150 -8.736 -6.916 1.00 0.00 C ATOM 266 O LEU A 19 3.752 -7.574 -6.854 1.00 0.00 O ATOM 267 CB LEU A 19 5.253 -9.722 -4.855 1.00 0.00 C ATOM 268 CG LEU A 19 6.592 -9.999 -5.565 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.473 -11.140 -6.566 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.123 -8.738 -6.236 1.00 0.00 C ATOM 0 H LEU A 19 4.256 -11.741 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 19 3.174 -9.263 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.341 -8.769 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.111 -10.490 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 19 7.308 -10.307 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.438 -11.305 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.166 -12.048 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.730 -10.885 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.069 -8.960 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.402 -8.387 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.279 -7.964 -5.484 1.00 0.00 H new ATOM 282 N GLU A 20 4.690 -9.250 -8.016 1.00 0.00 N ATOM 283 CA GLU A 20 4.906 -8.432 -9.203 1.00 0.00 C ATOM 284 C GLU A 20 3.578 -8.094 -9.851 1.00 0.00 C ATOM 285 O GLU A 20 3.383 -6.991 -10.361 1.00 0.00 O ATOM 286 CB GLU A 20 5.819 -9.153 -10.193 1.00 0.00 C ATOM 287 CG GLU A 20 5.765 -8.594 -11.606 1.00 0.00 C ATOM 288 CD GLU A 20 5.662 -9.679 -12.660 1.00 0.00 C ATOM 289 OE1 GLU A 20 4.999 -10.704 -12.393 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.241 -9.504 -13.752 1.00 0.00 O ATOM 0 H GLU A 20 4.984 -10.222 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 20 5.394 -7.505 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.846 -9.098 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.547 -10.208 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.910 -7.924 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.658 -7.997 -11.791 1.00 0.00 H new ATOM 297 N ALA A 21 2.656 -9.042 -9.809 1.00 0.00 N ATOM 298 CA ALA A 21 1.317 -8.804 -10.320 1.00 0.00 C ATOM 299 C ALA A 21 0.601 -7.825 -9.404 1.00 0.00 C ATOM 300 O ALA A 21 -0.147 -6.955 -9.852 1.00 0.00 O ATOM 301 CB ALA A 21 0.541 -10.106 -10.436 1.00 0.00 C ATOM 0 H ALA A 21 2.809 -9.976 -9.429 1.00 0.00 H new ATOM 0 HA ALA A 21 1.385 -8.376 -11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.458 -9.901 -10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.061 -10.780 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.463 -10.572 -9.454 1.00 0.00 H new ATOM 307 N LEU A 22 0.861 -7.978 -8.113 1.00 0.00 N ATOM 308 CA LEU A 22 0.306 -7.095 -7.100 1.00 0.00 C ATOM 309 C LEU A 22 0.879 -5.697 -7.262 1.00 0.00 C ATOM 310 O LEU A 22 0.233 -4.705 -6.938 1.00 0.00 O ATOM 311 CB LEU A 22 0.641 -7.637 -5.704 1.00 0.00 C ATOM 312 CG LEU A 22 -0.450 -7.510 -4.628 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.782 -7.053 -5.212 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.622 -8.830 -3.902 1.00 0.00 C ATOM 0 H LEU A 22 1.460 -8.715 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.777 -7.050 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.899 -8.691 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.533 -7.123 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.125 -6.746 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.522 -6.978 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.657 -6.079 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.121 -7.776 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.397 -8.729 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.911 -9.602 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.318 -9.109 -3.426 1.00 0.00 H new ATOM 326 N LYS A 23 2.109 -5.644 -7.759 1.00 0.00 N ATOM 327 CA LYS A 23 2.808 -4.387 -7.981 1.00 0.00 C ATOM 328 C LYS A 23 1.972 -3.461 -8.849 1.00 0.00 C ATOM 329 O LYS A 23 1.819 -2.277 -8.547 1.00 0.00 O ATOM 330 CB LYS A 23 4.160 -4.653 -8.653 1.00 0.00 C ATOM 331 CG LYS A 23 5.360 -4.415 -7.749 1.00 0.00 C ATOM 332 CD LYS A 23 6.078 -5.708 -7.410 1.00 0.00 C ATOM 333 CE LYS A 23 7.587 -5.523 -7.402 1.00 0.00 C ATOM 334 NZ LYS A 23 7.983 -4.187 -6.875 1.00 0.00 N ATOM 0 H LYS A 23 2.648 -6.470 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 23 2.975 -3.906 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.182 -5.685 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.249 -4.015 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.054 -3.732 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.032 -3.930 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.749 -6.063 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.809 -6.476 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.045 -6.303 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.972 -5.642 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.942 -4.242 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.969 -3.491 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.315 -3.894 -6.133 1.00 0.00 H new ATOM 348 N LYS A 24 1.432 -4.011 -9.930 1.00 0.00 N ATOM 349 CA LYS A 24 0.592 -3.241 -10.832 1.00 0.00 C ATOM 350 C LYS A 24 -0.708 -2.846 -10.144 1.00 0.00 C ATOM 351 O LYS A 24 -1.159 -1.704 -10.252 1.00 0.00 O ATOM 352 CB LYS A 24 0.285 -4.043 -12.101 1.00 0.00 C ATOM 353 CG LYS A 24 1.379 -5.023 -12.490 1.00 0.00 C ATOM 354 CD LYS A 24 1.322 -5.365 -13.971 1.00 0.00 C ATOM 355 CE LYS A 24 0.503 -6.620 -14.224 1.00 0.00 C ATOM 356 NZ LYS A 24 0.824 -7.235 -15.542 1.00 0.00 N ATOM 0 H LYS A 24 1.562 -4.986 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 24 1.134 -2.337 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.646 -4.591 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.121 -3.350 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.353 -4.596 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.278 -5.935 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.889 -4.530 -14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.334 -5.507 -14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.691 -7.343 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.558 -6.375 -14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.245 -8.088 -15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.620 -6.554 -16.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.831 -7.492 -15.569 1.00 0.00 H new ATOM 370 N GLU A 25 -1.309 -3.803 -9.443 1.00 0.00 N ATOM 371 CA GLU A 25 -2.565 -3.558 -8.742 1.00 0.00 C ATOM 372 C GLU A 25 -2.365 -2.545 -7.626 1.00 0.00 C ATOM 373 O GLU A 25 -3.295 -1.846 -7.223 1.00 0.00 O ATOM 374 CB GLU A 25 -3.117 -4.865 -8.169 1.00 0.00 C ATOM 375 CG GLU A 25 -3.302 -5.956 -9.212 1.00 0.00 C ATOM 376 CD GLU A 25 -4.481 -6.860 -8.911 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.588 -7.332 -7.759 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.296 -7.097 -9.826 1.00 0.00 O ATOM 0 H GLU A 25 -0.948 -4.752 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.283 -3.154 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.442 -5.226 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.075 -4.666 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.442 -5.497 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.394 -6.557 -9.268 1.00 0.00 H new ATOM 385 N ILE A 26 -1.137 -2.480 -7.132 1.00 0.00 N ATOM 386 CA ILE A 26 -0.786 -1.574 -6.054 1.00 0.00 C ATOM 387 C ILE A 26 -1.025 -0.120 -6.450 1.00 0.00 C ATOM 388 O ILE A 26 -1.614 0.650 -5.692 1.00 0.00 O ATOM 389 CB ILE A 26 0.690 -1.769 -5.638 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.777 -2.752 -4.470 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.340 -0.442 -5.271 1.00 0.00 C ATOM 392 CD1 ILE A 26 2.022 -3.610 -4.494 1.00 0.00 C ATOM 0 H ILE A 26 -0.361 -3.052 -7.467 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.429 -1.808 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 26 1.234 -2.179 -6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.748 -2.195 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.100 -3.399 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.377 -0.612 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.307 0.229 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.801 0.009 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.017 -4.283 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.043 -4.194 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.905 -2.972 -4.449 1.00 0.00 H new ATOM 404 N GLN A 27 -0.516 0.261 -7.616 1.00 0.00 N ATOM 405 CA GLN A 27 -0.659 1.630 -8.094 1.00 0.00 C ATOM 406 C GLN A 27 -2.124 1.985 -8.315 1.00 0.00 C ATOM 407 O GLN A 27 -2.527 3.134 -8.137 1.00 0.00 O ATOM 408 CB GLN A 27 0.140 1.825 -9.382 1.00 0.00 C ATOM 409 CG GLN A 27 1.546 1.245 -9.320 1.00 0.00 C ATOM 410 CD GLN A 27 2.416 1.904 -8.266 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.074 1.932 -7.084 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.560 2.427 -8.691 1.00 0.00 N ATOM 0 H GLN A 27 -0.003 -0.356 -8.245 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.265 2.300 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.399 1.361 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.205 2.891 -9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.483 0.176 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.021 1.354 -10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.805 2.382 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.194 2.874 -8.028 1.00 0.00 H new ATOM 421 N GLU A 28 -2.914 0.992 -8.707 1.00 0.00 N ATOM 422 CA GLU A 28 -4.335 1.199 -8.950 1.00 0.00 C ATOM 423 C GLU A 28 -5.100 1.337 -7.638 1.00 0.00 C ATOM 424 O GLU A 28 -6.187 1.915 -7.600 1.00 0.00 O ATOM 425 CB GLU A 28 -4.906 0.037 -9.765 1.00 0.00 C ATOM 426 CG GLU A 28 -3.994 -0.417 -10.892 1.00 0.00 C ATOM 427 CD GLU A 28 -4.654 -1.430 -11.806 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.618 -1.058 -12.506 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.207 -2.597 -11.818 1.00 0.00 O ATOM 0 H GLU A 28 -2.594 0.036 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.450 2.125 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.095 -0.805 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.867 0.335 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.688 0.450 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.088 -0.851 -10.469 1.00 0.00 H new ATOM 436 N ARG A 29 -4.538 0.781 -6.569 1.00 0.00 N ATOM 437 CA ARG A 29 -5.181 0.828 -5.261 1.00 0.00 C ATOM 438 C ARG A 29 -4.721 2.044 -4.458 1.00 0.00 C ATOM 439 O ARG A 29 -5.328 2.395 -3.445 1.00 0.00 O ATOM 440 CB ARG A 29 -4.912 -0.472 -4.499 1.00 0.00 C ATOM 441 CG ARG A 29 -3.699 -0.434 -3.583 1.00 0.00 C ATOM 442 CD ARG A 29 -3.836 -1.449 -2.459 1.00 0.00 C ATOM 443 NE ARG A 29 -4.370 -2.723 -2.935 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.652 -3.624 -3.598 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.372 -3.395 -3.861 1.00 0.00 N ATOM 446 NH2 ARG A 29 -4.213 -4.757 -3.996 1.00 0.00 N ATOM 0 H ARG A 29 -3.642 0.294 -6.583 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.256 0.928 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.792 -0.717 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.780 -1.279 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.797 -0.642 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.586 0.566 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.862 -1.614 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.491 -1.048 -1.686 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.350 -2.933 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.936 -2.525 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.824 -4.089 -4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.196 -4.938 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.662 -5.448 -4.505 1.00 0.00 H new ATOM 460 N ILE A 30 -3.650 2.684 -4.918 1.00 0.00 N ATOM 461 CA ILE A 30 -3.120 3.871 -4.255 1.00 0.00 C ATOM 462 C ILE A 30 -4.171 4.983 -4.203 1.00 0.00 C ATOM 463 O ILE A 30 -4.899 5.199 -5.172 1.00 0.00 O ATOM 464 CB ILE A 30 -1.859 4.395 -4.978 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.663 3.480 -4.688 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.552 5.837 -4.581 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.087 3.642 -3.295 1.00 0.00 C ATOM 0 H ILE A 30 -3.131 2.400 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.853 3.583 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.052 4.385 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.970 2.443 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.120 3.680 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.659 6.177 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.395 6.475 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.382 5.890 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.755 2.961 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.253 4.669 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.854 3.413 -2.555 1.00 0.00 H new ATOM 479 N PRO A 31 -4.255 5.719 -3.076 1.00 0.00 N ATOM 480 CA PRO A 31 -5.205 6.825 -2.920 1.00 0.00 C ATOM 481 C PRO A 31 -5.127 7.817 -4.077 1.00 0.00 C ATOM 482 O PRO A 31 -4.121 8.505 -4.253 1.00 0.00 O ATOM 483 CB PRO A 31 -4.776 7.498 -1.608 1.00 0.00 C ATOM 484 CG PRO A 31 -3.436 6.926 -1.282 1.00 0.00 C ATOM 485 CD PRO A 31 -3.430 5.549 -1.872 1.00 0.00 C ATOM 0 HA PRO A 31 -6.236 6.473 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.723 8.581 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.492 7.296 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.637 7.536 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.277 6.891 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.421 5.215 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.854 4.813 -1.189 1.00 0.00 H new ATOM 493 N GLU A 32 -6.193 7.871 -4.871 1.00 0.00 N ATOM 494 CA GLU A 32 -6.261 8.767 -6.024 1.00 0.00 C ATOM 495 C GLU A 32 -6.092 10.234 -5.628 1.00 0.00 C ATOM 496 O GLU A 32 -6.113 11.118 -6.485 1.00 0.00 O ATOM 497 CB GLU A 32 -7.594 8.583 -6.752 1.00 0.00 C ATOM 498 CG GLU A 32 -7.591 7.437 -7.750 1.00 0.00 C ATOM 499 CD GLU A 32 -8.356 7.768 -9.016 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.567 8.053 -8.921 1.00 0.00 O ATOM 501 OE2 GLU A 32 -7.741 7.746 -10.104 1.00 0.00 O ATOM 0 H GLU A 32 -7.028 7.301 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.435 8.505 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.379 8.410 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.844 9.507 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.562 7.185 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.029 6.554 -7.285 1.00 0.00 H new ATOM 508 N GLY A 33 -5.930 10.494 -4.333 1.00 0.00 N ATOM 509 CA GLY A 33 -5.788 11.861 -3.866 1.00 0.00 C ATOM 510 C GLY A 33 -4.369 12.384 -3.989 1.00 0.00 C ATOM 511 O GLY A 33 -4.162 13.563 -4.279 1.00 0.00 O ATOM 0 H GLY A 33 -5.895 9.784 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.458 12.505 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.101 11.918 -2.824 1.00 0.00 H new ATOM 515 N THR A 34 -3.390 11.513 -3.765 1.00 0.00 N ATOM 516 CA THR A 34 -1.988 11.906 -3.849 1.00 0.00 C ATOM 517 C THR A 34 -1.198 10.931 -4.723 1.00 0.00 C ATOM 518 O THR A 34 -1.707 10.438 -5.729 1.00 0.00 O ATOM 519 CB THR A 34 -1.378 11.984 -2.447 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.395 12.059 -1.464 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.464 13.175 -2.256 1.00 0.00 C ATOM 0 H THR A 34 -3.541 10.533 -3.525 1.00 0.00 H new ATOM 0 HA THR A 34 -1.935 12.892 -4.312 1.00 0.00 H new ATOM 0 HB THR A 34 -0.787 11.075 -2.337 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.128 12.692 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.066 13.169 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.359 13.120 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.026 14.095 -2.420 1.00 0.00 H new ATOM 529 N GLU A 35 0.049 10.657 -4.337 1.00 0.00 N ATOM 530 CA GLU A 35 0.905 9.754 -5.100 1.00 0.00 C ATOM 531 C GLU A 35 1.632 8.779 -4.181 1.00 0.00 C ATOM 532 O GLU A 35 1.664 8.962 -2.964 1.00 0.00 O ATOM 533 CB GLU A 35 1.920 10.554 -5.917 1.00 0.00 C ATOM 534 CG GLU A 35 1.307 11.291 -7.097 1.00 0.00 C ATOM 535 CD GLU A 35 2.230 11.338 -8.299 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.208 10.382 -9.102 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.975 12.331 -8.438 1.00 0.00 O ATOM 0 H GLU A 35 0.486 11.048 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 35 0.271 9.180 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.411 11.276 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.693 9.878 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.374 10.804 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.057 12.308 -6.795 1.00 0.00 H new ATOM 544 N LEU A 36 2.224 7.748 -4.776 1.00 0.00 N ATOM 545 CA LEU A 36 2.937 6.728 -4.015 1.00 0.00 C ATOM 546 C LEU A 36 4.290 7.241 -3.528 1.00 0.00 C ATOM 547 O LEU A 36 4.654 8.392 -3.766 1.00 0.00 O ATOM 548 CB LEU A 36 3.129 5.467 -4.864 1.00 0.00 C ATOM 549 CG LEU A 36 3.520 5.715 -6.324 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.930 5.211 -6.592 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.526 5.045 -7.264 1.00 0.00 C ATOM 0 H LEU A 36 2.224 7.597 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 36 2.333 6.483 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.897 4.849 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.203 4.892 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 36 3.498 6.789 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.190 5.396 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.633 5.735 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.978 4.141 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.819 5.232 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.516 3.971 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.530 5.452 -7.091 1.00 0.00 H new ATOM 563 N HIS A 37 5.019 6.378 -2.823 1.00 0.00 N ATOM 564 CA HIS A 37 6.326 6.726 -2.278 1.00 0.00 C ATOM 565 C HIS A 37 7.358 5.662 -2.618 1.00 0.00 C ATOM 566 O HIS A 37 8.193 5.840 -3.505 1.00 0.00 O ATOM 567 CB HIS A 37 6.232 6.865 -0.759 1.00 0.00 C ATOM 568 CG HIS A 37 7.528 7.220 -0.099 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.984 8.516 -0.063 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.419 6.418 0.538 1.00 0.00 C ATOM 571 CE1 HIS A 37 9.134 8.478 0.585 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.438 7.229 0.966 1.00 0.00 N ATOM 0 H HIS A 37 4.721 5.425 -2.615 1.00 0.00 H new ATOM 0 HA HIS A 37 6.638 7.672 -2.721 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.493 7.629 -0.519 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.868 5.927 -0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.340 5.350 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.751 9.342 0.783 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.271 6.937 1.478 1.00 0.00 H new ATOM 580 N LYS A 38 7.274 4.550 -1.904 1.00 0.00 N ATOM 581 CA LYS A 38 8.200 3.445 -2.076 1.00 0.00 C ATOM 582 C LYS A 38 7.644 2.194 -1.394 1.00 0.00 C ATOM 583 O LYS A 38 7.178 2.254 -0.257 1.00 0.00 O ATOM 584 CB LYS A 38 9.570 3.831 -1.503 1.00 0.00 C ATOM 585 CG LYS A 38 10.235 2.741 -0.684 1.00 0.00 C ATOM 586 CD LYS A 38 10.836 1.675 -1.580 1.00 0.00 C ATOM 587 CE LYS A 38 12.305 1.446 -1.268 1.00 0.00 C ATOM 588 NZ LYS A 38 13.080 1.069 -2.481 1.00 0.00 N ATOM 0 H LYS A 38 6.563 4.390 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 38 8.323 3.225 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.231 4.105 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.453 4.717 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.014 3.176 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.504 2.288 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.287 0.742 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.727 1.972 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.729 2.351 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.398 0.660 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.077 0.922 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.693 0.191 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.013 1.830 -3.186 1.00 0.00 H new ATOM 602 N ILE A 39 7.660 1.073 -2.111 1.00 0.00 N ATOM 603 CA ILE A 39 7.094 -0.169 -1.596 1.00 0.00 C ATOM 604 C ILE A 39 8.128 -1.018 -0.863 1.00 0.00 C ATOM 605 O ILE A 39 9.329 -0.915 -1.111 1.00 0.00 O ATOM 606 CB ILE A 39 6.462 -1.000 -2.721 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.713 -0.078 -3.693 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.527 -2.043 -2.129 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.766 -0.800 -4.626 1.00 0.00 C ATOM 0 H ILE A 39 8.058 1.000 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 39 6.323 0.122 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 39 7.245 -1.517 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.149 0.657 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.441 0.473 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.081 -2.630 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.089 -2.702 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.739 -1.546 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.277 -0.077 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.325 -1.515 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.013 -1.329 -4.042 1.00 0.00 H new ATOM 621 N ASP A 40 7.642 -1.872 0.036 1.00 0.00 N ATOM 622 CA ASP A 40 8.501 -2.725 0.843 1.00 0.00 C ATOM 623 C ASP A 40 8.198 -4.202 0.620 1.00 0.00 C ATOM 624 O ASP A 40 7.061 -4.638 0.785 1.00 0.00 O ATOM 625 CB ASP A 40 8.285 -2.401 2.314 1.00 0.00 C ATOM 626 CG ASP A 40 8.681 -0.979 2.666 1.00 0.00 C ATOM 627 OD1 ASP A 40 9.221 -0.277 1.786 1.00 0.00 O ATOM 628 OD2 ASP A 40 8.453 -0.570 3.824 1.00 0.00 O ATOM 0 H ASP A 40 6.646 -1.989 0.222 1.00 0.00 H new ATOM 0 HA ASP A 40 9.533 -2.537 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.235 -2.554 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.863 -3.096 2.923 1.00 0.00 H new ATOM 633 N GLU A 41 9.224 -4.977 0.292 1.00 0.00 N ATOM 634 CA GLU A 41 9.057 -6.416 0.112 1.00 0.00 C ATOM 635 C GLU A 41 9.220 -7.140 1.448 1.00 0.00 C ATOM 636 O GLU A 41 10.234 -7.795 1.691 1.00 0.00 O ATOM 637 CB GLU A 41 10.068 -6.952 -0.905 1.00 0.00 C ATOM 638 CG GLU A 41 10.379 -5.978 -2.031 1.00 0.00 C ATOM 639 CD GLU A 41 11.852 -5.950 -2.388 1.00 0.00 C ATOM 640 OE1 GLU A 41 12.658 -5.505 -1.543 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.199 -6.370 -3.511 1.00 0.00 O ATOM 0 H GLU A 41 10.175 -4.638 0.146 1.00 0.00 H new ATOM 0 HA GLU A 41 8.052 -6.601 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.994 -7.202 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.683 -7.877 -1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.800 -6.252 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.061 -4.977 -1.739 1.00 0.00 H new ATOM 648 N GLU A 42 8.235 -6.980 2.327 1.00 0.00 N ATOM 649 CA GLU A 42 8.268 -7.609 3.644 1.00 0.00 C ATOM 650 C GLU A 42 7.415 -8.872 3.662 1.00 0.00 C ATOM 651 O GLU A 42 6.292 -8.867 3.169 1.00 0.00 O ATOM 652 CB GLU A 42 7.776 -6.632 4.712 1.00 0.00 C ATOM 653 CG GLU A 42 8.865 -6.195 5.678 1.00 0.00 C ATOM 654 CD GLU A 42 8.380 -6.121 7.112 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.495 -6.920 7.483 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.887 -5.264 7.866 1.00 0.00 O ATOM 0 H GLU A 42 7.402 -6.419 2.151 1.00 0.00 H new ATOM 0 HA GLU A 42 9.300 -7.884 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.359 -5.751 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.967 -7.098 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.700 -6.893 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.243 -5.218 5.376 1.00 0.00 H new ATOM 663 N PRO A 43 7.934 -9.975 4.229 1.00 0.00 N ATOM 664 CA PRO A 43 7.217 -11.240 4.282 1.00 0.00 C ATOM 665 C PRO A 43 6.314 -11.349 5.499 1.00 0.00 C ATOM 666 O PRO A 43 6.500 -10.647 6.494 1.00 0.00 O ATOM 667 CB PRO A 43 8.342 -12.267 4.339 1.00 0.00 C ATOM 668 CG PRO A 43 9.482 -11.567 5.012 1.00 0.00 C ATOM 669 CD PRO A 43 9.265 -10.079 4.844 1.00 0.00 C ATOM 0 HA PRO A 43 6.544 -11.371 3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.039 -13.152 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.621 -12.601 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.524 -11.831 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.432 -11.868 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.302 -9.561 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.032 -9.634 4.210 1.00 0.00 H new ATOM 677 N ILE A 44 5.315 -12.216 5.396 1.00 0.00 N ATOM 678 CA ILE A 44 4.335 -12.391 6.458 1.00 0.00 C ATOM 679 C ILE A 44 4.235 -13.850 6.886 1.00 0.00 C ATOM 680 O ILE A 44 4.842 -14.260 7.874 1.00 0.00 O ATOM 681 CB ILE A 44 2.949 -11.897 5.998 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.107 -10.709 5.040 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.089 -11.521 7.197 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.721 -9.480 5.683 1.00 0.00 C ATOM 0 H ILE A 44 5.162 -12.812 4.582 1.00 0.00 H new ATOM 0 HA ILE A 44 4.668 -11.801 7.312 1.00 0.00 H new ATOM 0 HB ILE A 44 2.445 -12.704 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.727 -11.014 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.129 -10.446 4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.115 -11.175 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.958 -12.393 7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.578 -10.726 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.800 -8.683 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.091 -9.148 6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.714 -9.724 6.060 1.00 0.00 H new ATOM 696 N ALA A 45 3.458 -14.628 6.138 1.00 0.00 N ATOM 697 CA ALA A 45 3.278 -16.043 6.434 1.00 0.00 C ATOM 698 C ALA A 45 4.577 -16.816 6.218 1.00 0.00 C ATOM 699 O ALA A 45 5.668 -16.254 6.318 1.00 0.00 O ATOM 700 CB ALA A 45 2.160 -16.620 5.579 1.00 0.00 C ATOM 0 H ALA A 45 2.943 -14.300 5.321 1.00 0.00 H new ATOM 0 HA ALA A 45 3.001 -16.142 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.035 -17.678 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.231 -16.091 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.412 -16.505 4.525 1.00 0.00 H new ATOM 706 N PHE A 46 4.455 -18.105 5.916 1.00 0.00 N ATOM 707 CA PHE A 46 5.621 -18.946 5.685 1.00 0.00 C ATOM 708 C PHE A 46 6.283 -18.594 4.357 1.00 0.00 C ATOM 709 O PHE A 46 7.494 -18.750 4.195 1.00 0.00 O ATOM 710 CB PHE A 46 5.223 -20.422 5.697 1.00 0.00 C ATOM 711 CG PHE A 46 4.512 -20.840 6.952 1.00 0.00 C ATOM 712 CD1 PHE A 46 3.137 -20.710 7.062 1.00 0.00 C ATOM 713 CD2 PHE A 46 5.220 -21.361 8.024 1.00 0.00 C ATOM 714 CE1 PHE A 46 2.481 -21.091 8.217 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.569 -21.745 9.181 1.00 0.00 C ATOM 716 CZ PHE A 46 3.197 -21.610 9.278 1.00 0.00 C ATOM 0 H PHE A 46 3.561 -18.588 5.826 1.00 0.00 H new ATOM 0 HA PHE A 46 6.336 -18.767 6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.580 -20.624 4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.118 -21.033 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.571 -20.306 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.292 -21.468 7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.409 -20.983 8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.132 -22.150 10.009 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.686 -21.910 10.181 1.00 0.00 H new ATOM 726 N GLY A 47 5.484 -18.097 3.417 1.00 0.00 N ATOM 727 CA GLY A 47 6.010 -17.726 2.116 1.00 0.00 C ATOM 728 C GLY A 47 5.221 -16.609 1.454 1.00 0.00 C ATOM 729 O GLY A 47 5.491 -16.249 0.308 1.00 0.00 O ATOM 0 H GLY A 47 4.482 -17.945 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.049 -17.414 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.007 -18.601 1.466 1.00 0.00 H new ATOM 733 N LEU A 48 4.239 -16.064 2.169 1.00 0.00 N ATOM 734 CA LEU A 48 3.417 -14.982 1.636 1.00 0.00 C ATOM 735 C LEU A 48 3.993 -13.622 2.014 1.00 0.00 C ATOM 736 O LEU A 48 3.837 -13.163 3.144 1.00 0.00 O ATOM 737 CB LEU A 48 1.973 -15.109 2.138 1.00 0.00 C ATOM 738 CG LEU A 48 1.384 -16.528 2.106 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.137 -16.479 2.181 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.828 -17.277 0.858 1.00 0.00 C ATOM 0 H LEU A 48 3.994 -16.353 3.116 1.00 0.00 H new ATOM 0 HA LEU A 48 3.417 -15.061 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.929 -14.739 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.339 -14.458 1.536 1.00 0.00 H new ATOM 0 HG LEU A 48 1.759 -17.066 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.535 -17.493 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.440 -15.992 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.525 -15.917 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.397 -18.278 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.491 -16.740 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.915 -17.351 0.845 1.00 0.00 H new ATOM 752 N VAL A 49 4.656 -12.979 1.055 1.00 0.00 N ATOM 753 CA VAL A 49 5.280 -11.684 1.290 1.00 0.00 C ATOM 754 C VAL A 49 4.352 -10.533 0.919 1.00 0.00 C ATOM 755 O VAL A 49 3.803 -10.491 -0.183 1.00 0.00 O ATOM 756 CB VAL A 49 6.595 -11.541 0.495 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.167 -10.135 0.633 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.608 -12.582 0.950 1.00 0.00 C ATOM 0 H VAL A 49 4.774 -13.337 0.107 1.00 0.00 H new ATOM 0 HA VAL A 49 5.495 -11.636 2.358 1.00 0.00 H new ATOM 0 HB VAL A 49 6.375 -11.711 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.093 -10.062 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.448 -9.410 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.370 -9.926 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.529 -12.467 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.819 -12.445 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.202 -13.580 0.786 1.00 0.00 H new ATOM 768 N ALA A 50 4.217 -9.583 1.837 1.00 0.00 N ATOM 769 CA ALA A 50 3.389 -8.406 1.614 1.00 0.00 C ATOM 770 C ALA A 50 4.230 -7.234 1.130 1.00 0.00 C ATOM 771 O ALA A 50 5.421 -7.145 1.423 1.00 0.00 O ATOM 772 CB ALA A 50 2.660 -8.020 2.889 1.00 0.00 C ATOM 0 H ALA A 50 4.674 -9.607 2.749 1.00 0.00 H new ATOM 0 HA ALA A 50 2.658 -8.653 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.046 -7.139 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.024 -8.845 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.387 -7.799 3.671 1.00 0.00 H new ATOM 778 N LEU A 51 3.597 -6.333 0.394 1.00 0.00 N ATOM 779 CA LEU A 51 4.273 -5.152 -0.116 1.00 0.00 C ATOM 780 C LEU A 51 3.742 -3.901 0.570 1.00 0.00 C ATOM 781 O LEU A 51 2.559 -3.574 0.458 1.00 0.00 O ATOM 782 CB LEU A 51 4.082 -5.049 -1.632 1.00 0.00 C ATOM 783 CG LEU A 51 5.017 -5.930 -2.465 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.818 -7.399 -2.119 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.786 -5.695 -3.950 1.00 0.00 C ATOM 0 H LEU A 51 2.612 -6.399 0.136 1.00 0.00 H new ATOM 0 HA LEU A 51 5.338 -5.239 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.052 -5.311 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.224 -4.010 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 51 6.046 -5.659 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.491 -8.009 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.033 -7.556 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.787 -7.685 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.459 -6.329 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.753 -5.938 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.980 -4.649 -4.187 1.00 0.00 H new ATOM 797 N ASN A 52 4.617 -3.213 1.291 1.00 0.00 N ATOM 798 CA ASN A 52 4.238 -2.003 2.003 1.00 0.00 C ATOM 799 C ASN A 52 4.427 -0.787 1.116 1.00 0.00 C ATOM 800 O ASN A 52 5.506 -0.196 1.065 1.00 0.00 O ATOM 801 CB ASN A 52 5.068 -1.855 3.281 1.00 0.00 C ATOM 802 CG ASN A 52 5.348 -3.187 3.953 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.418 -3.394 4.524 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.383 -4.097 3.894 1.00 0.00 N ATOM 0 H ASN A 52 5.597 -3.474 1.398 1.00 0.00 H new ATOM 0 HA ASN A 52 3.185 -2.078 2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.013 -1.367 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.541 -1.204 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.514 -5.009 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.511 -3.885 3.410 1.00 0.00 H new ATOM 811 N VAL A 53 3.360 -0.422 0.427 1.00 0.00 N ATOM 812 CA VAL A 53 3.387 0.703 -0.489 1.00 0.00 C ATOM 813 C VAL A 53 3.090 2.009 0.232 1.00 0.00 C ATOM 814 O VAL A 53 1.942 2.305 0.561 1.00 0.00 O ATOM 815 CB VAL A 53 2.364 0.518 -1.622 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.655 1.475 -2.768 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.357 -0.924 -2.102 1.00 0.00 C ATOM 0 H VAL A 53 2.457 -0.893 0.486 1.00 0.00 H new ATOM 0 HA VAL A 53 4.392 0.745 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 53 1.372 0.750 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.920 1.329 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.600 2.502 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.654 1.281 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.627 -1.037 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.347 -1.189 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.091 -1.582 -1.274 1.00 0.00 H new ATOM 827 N MET A 54 4.130 2.807 0.431 1.00 0.00 N ATOM 828 CA MET A 54 3.988 4.093 1.096 1.00 0.00 C ATOM 829 C MET A 54 3.568 5.162 0.100 1.00 0.00 C ATOM 830 O MET A 54 3.593 4.939 -1.108 1.00 0.00 O ATOM 831 CB MET A 54 5.306 4.491 1.767 1.00 0.00 C ATOM 832 CG MET A 54 5.550 3.793 3.094 1.00 0.00 C ATOM 833 SD MET A 54 6.961 2.673 3.044 1.00 0.00 S ATOM 834 CE MET A 54 6.891 1.966 4.690 1.00 0.00 C ATOM 0 H MET A 54 5.082 2.585 0.141 1.00 0.00 H new ATOM 0 HA MET A 54 3.216 4.003 1.860 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.131 4.265 1.091 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.311 5.569 1.927 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.714 4.542 3.869 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.658 3.234 3.375 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.903 1.834 5.073 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.338 2.634 5.350 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.389 0.999 4.650 1.00 0.00 H new ATOM 844 N VAL A 55 3.138 6.309 0.616 1.00 0.00 N ATOM 845 CA VAL A 55 2.680 7.400 -0.233 1.00 0.00 C ATOM 846 C VAL A 55 3.175 8.749 0.285 1.00 0.00 C ATOM 847 O VAL A 55 3.194 8.993 1.492 1.00 0.00 O ATOM 848 CB VAL A 55 1.139 7.419 -0.337 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.599 6.015 -0.552 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.514 8.043 0.903 1.00 0.00 C ATOM 0 H VAL A 55 3.098 6.506 1.616 1.00 0.00 H new ATOM 0 HA VAL A 55 3.097 7.230 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 55 0.870 8.031 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.488 6.050 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.009 5.605 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.888 5.382 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.571 8.043 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.797 7.465 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.868 9.068 1.013 1.00 0.00 H new ATOM 860 N VAL A 56 3.588 9.616 -0.633 1.00 0.00 N ATOM 861 CA VAL A 56 4.077 10.938 -0.264 1.00 0.00 C ATOM 862 C VAL A 56 2.958 11.972 -0.315 1.00 0.00 C ATOM 863 O VAL A 56 2.524 12.378 -1.393 1.00 0.00 O ATOM 864 CB VAL A 56 5.220 11.401 -1.187 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.099 12.419 -0.477 1.00 0.00 C ATOM 866 CG2 VAL A 56 6.044 10.214 -1.662 1.00 0.00 C ATOM 0 H VAL A 56 3.594 9.427 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 56 4.454 10.856 0.755 1.00 0.00 H new ATOM 0 HB VAL A 56 4.781 11.879 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.901 12.735 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.499 13.284 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.528 11.968 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.845 10.564 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.473 9.701 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.405 9.525 -2.213 1.00 0.00 H new ATOM 876 N VAL A 57 2.497 12.400 0.856 1.00 0.00 N ATOM 877 CA VAL A 57 1.440 13.401 0.937 1.00 0.00 C ATOM 878 C VAL A 57 1.854 14.553 1.846 1.00 0.00 C ATOM 879 O VAL A 57 2.715 14.395 2.709 1.00 0.00 O ATOM 880 CB VAL A 57 0.111 12.797 1.443 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.160 11.462 0.767 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.118 12.639 2.957 1.00 0.00 C ATOM 0 H VAL A 57 2.838 12.070 1.759 1.00 0.00 H new ATOM 0 HA VAL A 57 1.281 13.776 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.691 13.487 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.100 11.052 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.226 11.607 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.651 10.769 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.830 12.212 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.934 11.978 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.256 13.614 3.424 1.00 0.00 H new ATOM 892 N GLY A 58 1.253 15.715 1.627 1.00 0.00 N ATOM 893 CA GLY A 58 1.572 16.881 2.427 1.00 0.00 C ATOM 894 C GLY A 58 0.733 18.082 2.043 1.00 0.00 C ATOM 895 O GLY A 58 -0.184 18.465 2.770 1.00 0.00 O ATOM 0 H GLY A 58 0.548 15.871 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.414 16.651 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.628 17.124 2.308 1.00 0.00 H new ATOM 899 N ASP A 59 1.041 18.670 0.892 1.00 0.00 N ATOM 900 CA ASP A 59 0.294 19.819 0.399 1.00 0.00 C ATOM 901 C ASP A 59 -0.986 19.366 -0.294 1.00 0.00 C ATOM 902 O ASP A 59 -1.754 20.182 -0.803 1.00 0.00 O ATOM 903 CB ASP A 59 1.152 20.638 -0.568 1.00 0.00 C ATOM 904 CG ASP A 59 1.911 21.750 0.129 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.923 21.449 0.797 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.494 22.921 0.008 1.00 0.00 O ATOM 0 H ASP A 59 1.803 18.369 0.284 1.00 0.00 H new ATOM 0 HA ASP A 59 0.028 20.446 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.860 19.978 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.514 21.067 -1.341 1.00 0.00 H new ATOM 911 N ALA A 60 -1.202 18.053 -0.312 1.00 0.00 N ATOM 912 CA ALA A 60 -2.387 17.474 -0.934 1.00 0.00 C ATOM 913 C ALA A 60 -3.651 17.856 -0.166 1.00 0.00 C ATOM 914 O ALA A 60 -3.741 18.945 0.399 1.00 0.00 O ATOM 915 CB ALA A 60 -2.244 15.962 -1.024 1.00 0.00 C ATOM 0 H ALA A 60 -0.568 17.368 0.099 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.479 17.876 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.134 15.539 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.368 15.714 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.127 15.547 -0.023 1.00 0.00 H new ATOM 921 N GLU A 61 -4.626 16.951 -0.148 1.00 0.00 N ATOM 922 CA GLU A 61 -5.883 17.197 0.546 1.00 0.00 C ATOM 923 C GLU A 61 -6.471 15.900 1.082 1.00 0.00 C ATOM 924 O GLU A 61 -5.793 14.874 1.133 1.00 0.00 O ATOM 925 CB GLU A 61 -6.887 17.864 -0.398 1.00 0.00 C ATOM 926 CG GLU A 61 -6.685 17.499 -1.860 1.00 0.00 C ATOM 927 CD GLU A 61 -7.169 18.582 -2.805 1.00 0.00 C ATOM 928 OE1 GLU A 61 -6.784 19.754 -2.611 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.930 18.257 -3.741 1.00 0.00 O ATOM 0 H GLU A 61 -4.568 16.042 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.680 17.861 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.897 17.583 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.812 18.946 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.627 17.311 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.215 16.571 -2.075 1.00 0.00 H new ATOM 936 N GLY A 62 -7.744 15.951 1.462 1.00 0.00 N ATOM 937 CA GLY A 62 -8.414 14.766 1.954 1.00 0.00 C ATOM 938 C GLY A 62 -8.891 13.888 0.817 1.00 0.00 C ATOM 939 O GLY A 62 -9.687 12.971 1.019 1.00 0.00 O ATOM 0 H GLY A 62 -8.321 16.792 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.735 14.201 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.263 15.057 2.572 1.00 0.00 H new ATOM 943 N GLY A 63 -8.396 14.178 -0.384 1.00 0.00 N ATOM 944 CA GLY A 63 -8.778 13.410 -1.553 1.00 0.00 C ATOM 945 C GLY A 63 -8.212 12.005 -1.535 1.00 0.00 C ATOM 946 O GLY A 63 -8.508 11.200 -2.418 1.00 0.00 O ATOM 0 H GLY A 63 -7.736 14.934 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.865 13.359 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.435 13.925 -2.450 1.00 0.00 H new ATOM 950 N THR A 64 -7.396 11.707 -0.528 1.00 0.00 N ATOM 951 CA THR A 64 -6.808 10.381 -0.397 1.00 0.00 C ATOM 952 C THR A 64 -7.853 9.392 0.100 1.00 0.00 C ATOM 953 O THR A 64 -7.589 8.195 0.213 1.00 0.00 O ATOM 954 CB THR A 64 -5.611 10.406 0.556 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.034 10.242 1.898 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.806 11.686 0.480 1.00 0.00 C ATOM 0 H THR A 64 -7.129 12.364 0.205 1.00 0.00 H new ATOM 0 HA THR A 64 -6.456 10.064 -1.379 1.00 0.00 H new ATOM 0 HB THR A 64 -4.975 9.580 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.254 10.259 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.974 11.635 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.420 11.814 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.444 12.533 0.735 1.00 0.00 H new ATOM 964 N GLU A 65 -9.042 9.909 0.394 1.00 0.00 N ATOM 965 CA GLU A 65 -10.156 9.080 0.832 1.00 0.00 C ATOM 966 C GLU A 65 -10.428 7.984 -0.185 1.00 0.00 C ATOM 967 O GLU A 65 -10.982 6.933 0.140 1.00 0.00 O ATOM 968 CB GLU A 65 -11.406 9.936 1.005 1.00 0.00 C ATOM 969 CG GLU A 65 -11.752 10.767 -0.220 1.00 0.00 C ATOM 970 CD GLU A 65 -12.972 10.245 -0.956 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.735 9.457 -0.358 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.165 10.627 -2.129 1.00 0.00 O ATOM 0 H GLU A 65 -9.258 10.904 0.336 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.896 8.623 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.249 9.288 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.265 10.602 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.930 11.798 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.900 10.778 -0.899 1.00 0.00 H new ATOM 979 N ALA A 66 -10.009 8.245 -1.414 1.00 0.00 N ATOM 980 CA ALA A 66 -10.201 7.302 -2.509 1.00 0.00 C ATOM 981 C ALA A 66 -9.593 5.949 -2.172 1.00 0.00 C ATOM 982 O ALA A 66 -10.094 4.912 -2.600 1.00 0.00 O ATOM 983 CB ALA A 66 -9.587 7.848 -3.790 1.00 0.00 C ATOM 0 H ALA A 66 -9.531 9.106 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.272 7.169 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.738 7.133 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.064 8.794 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.519 8.008 -3.642 1.00 0.00 H new ATOM 989 N ALA A 67 -8.543 5.962 -1.359 1.00 0.00 N ATOM 990 CA ALA A 67 -7.885 4.730 -0.948 1.00 0.00 C ATOM 991 C ALA A 67 -8.852 3.847 -0.174 1.00 0.00 C ATOM 992 O ALA A 67 -9.099 2.700 -0.551 1.00 0.00 O ATOM 993 CB ALA A 67 -6.662 5.037 -0.098 1.00 0.00 C ATOM 0 H ALA A 67 -8.130 6.811 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.562 4.197 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.183 4.105 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.959 5.638 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.966 5.589 0.791 1.00 0.00 H new ATOM 999 N GLU A 68 -9.415 4.398 0.895 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.375 3.670 1.711 1.00 0.00 C ATOM 1001 C GLU A 68 -11.568 3.231 0.866 1.00 0.00 C ATOM 1002 O GLU A 68 -12.177 2.193 1.121 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.852 4.541 2.874 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.744 4.933 3.838 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.160 4.803 5.289 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.629 3.713 5.678 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.018 5.793 6.038 1.00 0.00 O ATOM 0 H GLU A 68 -9.222 5.347 1.216 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.883 2.784 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.311 5.445 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.627 4.006 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.871 4.306 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.443 5.962 3.641 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.927 4.058 -0.112 1.00 0.00 N ATOM 1015 CA GLU A 69 -13.025 3.741 -1.014 1.00 0.00 C ATOM 1016 C GLU A 69 -12.704 2.486 -1.815 1.00 0.00 C ATOM 1017 O GLU A 69 -13.497 1.545 -1.866 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.297 4.913 -1.958 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.764 5.308 -2.030 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.005 6.737 -1.584 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.910 7.649 -2.433 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.290 6.946 -0.386 1.00 0.00 O ATOM 0 H GLU A 69 -11.472 4.952 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.920 3.559 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.713 5.774 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.950 4.652 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.120 5.186 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.349 4.633 -1.406 1.00 0.00 H new ATOM 1029 N SER A 70 -11.531 2.487 -2.444 1.00 0.00 N ATOM 1030 CA SER A 70 -11.070 1.343 -3.214 1.00 0.00 C ATOM 1031 C SER A 70 -10.878 0.142 -2.299 1.00 0.00 C ATOM 1032 O SER A 70 -10.819 -0.998 -2.754 1.00 0.00 O ATOM 1033 CB SER A 70 -9.757 1.676 -3.925 1.00 0.00 C ATOM 1034 OG SER A 70 -9.697 1.061 -5.200 1.00 0.00 O ATOM 0 H SER A 70 -10.882 3.274 -2.433 1.00 0.00 H new ATOM 0 HA SER A 70 -11.822 1.100 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.663 2.756 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.916 1.343 -3.317 1.00 0.00 H new ATOM 0 HG SER A 70 -8.849 1.291 -5.634 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.811 0.417 -0.999 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.642 -0.621 0.008 1.00 0.00 C ATOM 1042 C LEU A 71 -11.925 -1.427 0.159 1.00 0.00 C ATOM 1043 O LEU A 71 -11.893 -2.629 0.426 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.288 0.026 1.346 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.850 -0.170 1.817 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.566 0.743 2.994 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -8.608 -1.626 2.184 1.00 0.00 C ATOM 0 H LEU A 71 -10.872 1.361 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.840 -1.290 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.485 1.096 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.958 -0.371 2.109 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.169 0.089 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.538 0.599 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.708 1.781 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.248 0.506 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.578 -1.751 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.287 -1.917 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.785 -2.255 1.312 1.00 0.00 H new ATOM 1059 N SER A 72 -13.053 -0.748 -0.017 1.00 0.00 N ATOM 1060 CA SER A 72 -14.361 -1.379 0.088 1.00 0.00 C ATOM 1061 C SER A 72 -14.545 -2.440 -0.994 1.00 0.00 C ATOM 1062 O SER A 72 -15.497 -3.220 -0.962 1.00 0.00 O ATOM 1063 CB SER A 72 -15.453 -0.315 -0.026 1.00 0.00 C ATOM 1064 OG SER A 72 -16.475 -0.524 0.931 1.00 0.00 O ATOM 0 H SER A 72 -13.086 0.248 -0.235 1.00 0.00 H new ATOM 0 HA SER A 72 -14.433 -1.871 1.058 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.017 0.674 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.881 -0.335 -1.028 1.00 0.00 H new ATOM 0 HG SER A 72 -17.159 0.172 0.836 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.611 -2.469 -1.939 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.652 -3.443 -3.016 1.00 0.00 C ATOM 1072 C GLY A 73 -12.260 -3.767 -3.513 1.00 0.00 C ATOM 1073 O GLY A 73 -12.066 -4.137 -4.671 1.00 0.00 O ATOM 0 H GLY A 73 -12.818 -1.828 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.138 -4.354 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.254 -3.055 -3.838 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.292 -3.606 -2.622 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.889 -3.838 -2.933 1.00 0.00 C ATOM 1079 C ILE A 74 -9.584 -5.333 -3.057 1.00 0.00 C ATOM 1080 O ILE A 74 -10.498 -6.152 -3.156 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.996 -3.188 -1.849 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.641 -2.786 -2.429 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.826 -4.109 -0.651 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.198 -1.402 -2.009 1.00 0.00 C ATOM 0 H ILE A 74 -11.458 -3.310 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.672 -3.378 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.496 -2.284 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.890 -3.511 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.692 -2.829 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.194 -3.625 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.802 -4.323 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.360 -5.041 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.229 -1.179 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.930 -0.668 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.116 -1.360 -0.923 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.297 -5.681 -3.055 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.871 -7.072 -3.172 1.00 0.00 C ATOM 1098 C GLU A 75 -8.589 -7.950 -2.148 1.00 0.00 C ATOM 1099 O GLU A 75 -8.240 -7.958 -0.967 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.354 -7.172 -2.986 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.614 -7.614 -4.238 1.00 0.00 C ATOM 1102 CD GLU A 75 -6.143 -8.921 -4.799 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.466 -9.823 -3.999 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -6.232 -9.041 -6.040 1.00 0.00 O ATOM 0 H GLU A 75 -7.530 -5.014 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.132 -7.430 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.970 -6.201 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.141 -7.875 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.697 -6.837 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.554 -7.724 -4.009 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.604 -8.677 -2.613 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.374 -9.539 -1.734 1.00 0.00 C ATOM 1113 C GLY A 76 -9.541 -10.646 -1.121 1.00 0.00 C ATOM 1114 O GLY A 76 -9.768 -11.042 0.023 1.00 0.00 O ATOM 0 H GLY A 76 -9.906 -8.683 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.814 -8.938 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.199 -9.979 -2.295 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.568 -11.138 -1.877 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.690 -12.197 -1.397 1.00 0.00 C ATOM 1120 C VAL A 77 -6.525 -11.606 -0.620 1.00 0.00 C ATOM 1121 O VAL A 77 -6.127 -12.129 0.421 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.140 -13.043 -2.561 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.456 -14.296 -2.034 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.250 -13.401 -3.537 1.00 0.00 C ATOM 0 H VAL A 77 -8.367 -10.821 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.281 -12.840 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.398 -12.450 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.074 -14.881 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.630 -14.013 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.174 -14.893 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.840 -13.998 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.019 -13.973 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.687 -12.488 -3.941 1.00 0.00 H new ATOM 1134 N SER A 78 -6.010 -10.490 -1.115 1.00 0.00 N ATOM 1135 CA SER A 78 -4.904 -9.803 -0.473 1.00 0.00 C ATOM 1136 C SER A 78 -5.411 -8.682 0.421 1.00 0.00 C ATOM 1137 O SER A 78 -5.598 -7.553 -0.034 1.00 0.00 O ATOM 1138 CB SER A 78 -3.952 -9.227 -1.527 1.00 0.00 C ATOM 1139 OG SER A 78 -2.871 -8.541 -0.920 1.00 0.00 O ATOM 0 H SER A 78 -6.345 -10.040 -1.967 1.00 0.00 H new ATOM 0 HA SER A 78 -4.368 -10.527 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.569 -10.032 -2.154 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.497 -8.546 -2.180 1.00 0.00 H new ATOM 0 HG SER A 78 -3.110 -7.599 -0.795 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.647 -8.992 1.692 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.084 -7.966 2.631 1.00 0.00 C ATOM 1147 C ASN A 79 -4.894 -7.140 3.039 1.00 0.00 C ATOM 1148 O ASN A 79 -3.826 -7.669 3.348 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.754 -8.545 3.874 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.758 -7.579 4.499 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.883 -7.968 4.811 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.368 -6.308 4.691 1.00 0.00 N ATOM 0 H ASN A 79 -5.546 -9.926 2.089 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.831 -7.354 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.262 -9.472 3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.991 -8.798 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.011 -5.634 5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.428 -6.017 4.422 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.077 -5.843 3.027 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.998 -4.938 3.315 1.00 0.00 C ATOM 1161 C ILE A 80 -4.063 -4.393 4.730 1.00 0.00 C ATOM 1162 O ILE A 80 -5.143 -4.169 5.279 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.028 -3.759 2.341 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.186 -4.251 0.905 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.776 -2.929 2.494 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.581 -4.065 0.351 1.00 0.00 C ATOM 0 H ILE A 80 -5.968 -5.391 2.820 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.074 -5.506 3.207 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.888 -3.132 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.478 -3.721 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.925 -5.308 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.807 -2.092 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.714 -2.549 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.903 -3.546 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.618 -4.437 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.293 -4.618 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.839 -3.006 0.362 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.891 -4.128 5.289 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.791 -3.484 6.578 1.00 0.00 C ATOM 1180 C GLU A 81 -2.844 -1.990 6.334 1.00 0.00 C ATOM 1181 O GLU A 81 -1.835 -1.289 6.406 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.490 -3.872 7.284 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.440 -3.449 8.742 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.514 -4.627 9.695 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -0.940 -5.689 9.371 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.145 -4.488 10.762 1.00 0.00 O ATOM 0 H GLU A 81 -1.993 -4.354 4.861 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.608 -3.798 7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.362 -4.953 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.651 -3.421 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.518 -2.896 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.266 -2.768 8.947 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.023 -1.544 5.926 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.240 -0.167 5.534 1.00 0.00 C ATOM 1195 C VAL A 82 -4.448 0.727 6.753 1.00 0.00 C ATOM 1196 O VAL A 82 -5.436 1.455 6.858 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.456 -0.075 4.590 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.658 1.353 4.107 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.284 -1.013 3.410 1.00 0.00 C ATOM 0 H VAL A 82 -4.855 -2.131 5.859 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.351 0.183 5.009 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.343 -0.376 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.521 1.394 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.828 2.006 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.770 1.684 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.151 -0.935 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.385 -0.741 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.192 -2.038 3.770 1.00 0.00 H new ATOM 1209 N THR A 83 -3.524 0.626 7.697 1.00 0.00 N ATOM 1210 CA THR A 83 -3.585 1.428 8.909 1.00 0.00 C ATOM 1211 C THR A 83 -2.237 2.071 9.224 1.00 0.00 C ATOM 1212 O THR A 83 -2.052 2.620 10.310 1.00 0.00 O ATOM 1213 CB THR A 83 -4.034 0.563 10.088 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.986 -0.398 9.670 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.648 1.363 11.215 1.00 0.00 C ATOM 0 H THR A 83 -2.723 -0.004 7.647 1.00 0.00 H new ATOM 0 HA THR A 83 -4.309 2.226 8.744 1.00 0.00 H new ATOM 0 HB THR A 83 -3.128 0.083 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.260 -0.942 10.437 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.945 0.690 12.019 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.918 2.079 11.592 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.524 1.897 10.847 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.270 1.936 8.318 1.00 0.00 N ATOM 1224 CA ASP A 84 0.054 2.486 8.561 1.00 0.00 C ATOM 1225 C ASP A 84 0.131 3.953 8.155 1.00 0.00 C ATOM 1226 O ASP A 84 -0.381 4.348 7.108 1.00 0.00 O ATOM 1227 CB ASP A 84 1.107 1.667 7.821 1.00 0.00 C ATOM 1228 CG ASP A 84 1.207 0.245 8.341 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.248 -0.529 8.139 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.245 -0.094 8.946 1.00 0.00 O ATOM 0 H ASP A 84 -1.379 1.458 7.424 1.00 0.00 H new ATOM 0 HA ASP A 84 0.252 2.431 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.866 1.646 6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.077 2.155 7.918 1.00 0.00 H new