USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 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 70 ASN : amide:sc= -7.19! K(o=-23!,f=-6.3) USER MOD Set 1.2: A 72 ASN : amide:sc= -15.4! C(o=-23!,f=-6.3!) USER MOD Set 2.1: A 35 GLN : amide:sc= -3.22! C(o=-7.5!,f=-6.4!) USER MOD Set 2.2: A 38 GLN : amide:sc= -4.32! C(o=-7.5!,f=-5.5!) USER MOD Set 3.1: A 13 ASN : amide:sc= -9.12! C(o=-9.1!,f=-3.4!) USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc=-0.00858 USER MOD Set 4.1: A 9 THR OG1 : rot -84:sc= -0.834 USER MOD Set 4.2: A 11 ASN : amide:sc= -0.558 K(o=-1.4,f=-0.1) USER MOD Set 5.1: A 7 SER OG : rot -120:sc= -0.0937 USER MOD Set 5.2: A 18 SER OG : rot 180:sc= 0.291 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= -0.0929 (180deg=-0.0929) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 66:sc= 1.06 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -30:sc= 0.469 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 31 TYR OH : rot 150:sc= -0.71 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.494 K(o=-0.49,f=-3.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 119:sc= 0.634 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -4.52! (180deg=-5.6!) USER MOD Single : A 68 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1) USER MOD Single : A 77 GLN : amide:sc= -3.35 K(o=-3.4,f=-2.5) USER MOD Single : A 80 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.7!) USER MOD Single : A 81 THR OG1 : rot -130:sc= -1.28 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 4.001 1.230 -1.832 1.00 1.00 N ATOM 21 CA GLU A 2 4.409 2.568 -2.286 1.00 1.00 C ATOM 22 C GLU A 2 4.970 3.371 -1.129 1.00 1.00 C ATOM 23 O GLU A 2 4.457 3.306 -0.014 1.00 1.00 O ATOM 24 CB GLU A 2 3.200 3.307 -2.882 1.00 1.00 C ATOM 25 CG GLU A 2 3.652 4.636 -3.499 1.00 1.00 C ATOM 26 CD GLU A 2 2.473 5.336 -4.168 1.00 1.00 C ATOM 27 OE1 GLU A 2 1.701 5.963 -3.460 1.00 1.00 O ATOM 28 OE2 GLU A 2 2.363 5.243 -5.380 1.00 1.00 O ATOM 0 HA GLU A 2 5.181 2.456 -3.047 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.722 2.688 -3.641 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.457 3.491 -2.106 1.00 1.00 H new ATOM 0 HG2 GLU A 2 4.075 5.278 -2.727 1.00 1.00 H new ATOM 0 HG3 GLU A 2 4.440 4.456 -4.230 1.00 1.00 H new ATOM 35 N ILE A 3 6.046 4.117 -1.395 1.00 1.00 N ATOM 36 CA ILE A 3 6.680 4.912 -0.347 1.00 1.00 C ATOM 37 C ILE A 3 5.636 5.713 0.423 1.00 1.00 C ATOM 38 O ILE A 3 4.565 6.008 -0.104 1.00 1.00 O ATOM 39 CB ILE A 3 7.697 5.871 -0.968 1.00 1.00 C ATOM 40 CG1 ILE A 3 7.010 6.705 -2.061 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.848 5.070 -1.579 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.968 7.783 -2.560 1.00 1.00 C ATOM 0 H ILE A 3 6.488 4.185 -2.312 1.00 1.00 H new ATOM 0 HA ILE A 3 7.186 4.235 0.342 1.00 1.00 H new ATOM 0 HB ILE A 3 8.090 6.535 -0.198 1.00 1.00 H new ATOM 0 HG12 ILE A 3 6.708 6.062 -2.887 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.103 7.164 -1.667 1.00 1.00 H new ATOM 0 HG21 ILE A 3 9.572 5.754 -2.021 1.00 1.00 H new ATOM 0 HG22 ILE A 3 9.334 4.480 -0.802 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.459 4.405 -2.350 1.00 1.00 H new ATOM 0 HD11 ILE A 3 7.479 8.374 -3.335 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.248 8.433 -1.731 1.00 1.00 H new ATOM 0 HD13 ILE A 3 8.862 7.314 -2.971 1.00 1.00 H new ATOM 54 N ILE A 4 5.968 6.065 1.664 1.00 1.00 N ATOM 55 CA ILE A 4 5.054 6.843 2.529 1.00 1.00 C ATOM 56 C ILE A 4 5.775 8.030 3.160 1.00 1.00 C ATOM 57 O ILE A 4 5.255 9.143 3.181 1.00 1.00 O ATOM 58 CB ILE A 4 4.487 5.939 3.636 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.695 4.770 2.990 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.575 6.736 4.585 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.444 5.247 2.197 1.00 1.00 C ATOM 0 H ILE A 4 6.859 5.829 2.101 1.00 1.00 H new ATOM 0 HA ILE A 4 4.240 7.221 1.910 1.00 1.00 H new ATOM 0 HB ILE A 4 5.315 5.541 4.222 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.354 4.219 2.320 1.00 1.00 H new ATOM 0 HG13 ILE A 4 3.381 4.077 3.770 1.00 1.00 H new ATOM 0 HG21 ILE A 4 3.187 6.073 5.359 1.00 1.00 H new ATOM 0 HG22 ILE A 4 4.146 7.540 5.049 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.744 7.160 4.021 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.933 4.384 1.770 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.766 5.774 2.869 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.755 5.918 1.396 1.00 1.00 H new ATOM 73 N ALA A 5 6.964 7.781 3.685 1.00 1.00 N ATOM 74 CA ALA A 5 7.734 8.832 4.326 1.00 1.00 C ATOM 75 C ALA A 5 9.143 8.348 4.583 1.00 1.00 C ATOM 76 O ALA A 5 9.386 7.150 4.722 1.00 1.00 O ATOM 77 CB ALA A 5 7.064 9.220 5.643 1.00 1.00 C ATOM 0 H ALA A 5 7.414 6.866 3.680 1.00 1.00 H new ATOM 0 HA ALA A 5 7.775 9.704 3.674 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.641 10.009 6.126 1.00 1.00 H new ATOM 0 HB2 ALA A 5 6.054 9.578 5.446 1.00 1.00 H new ATOM 0 HB3 ALA A 5 7.019 8.350 6.299 1.00 1.00 H new ATOM 83 N ILE A 6 10.071 9.300 4.632 1.00 1.00 N ATOM 84 CA ILE A 6 11.480 9.012 4.851 1.00 1.00 C ATOM 85 C ILE A 6 11.875 9.476 6.251 1.00 1.00 C ATOM 86 O ILE A 6 11.792 10.661 6.574 1.00 1.00 O ATOM 87 CB ILE A 6 12.330 9.748 3.774 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.724 11.171 3.474 1.00 1.00 C ATOM 89 CG2 ILE A 6 12.428 8.899 2.482 1.00 1.00 C ATOM 90 CD1 ILE A 6 10.655 11.136 2.359 1.00 1.00 C ATOM 0 H ILE A 6 9.864 10.293 4.521 1.00 1.00 H new ATOM 0 HA ILE A 6 11.660 7.940 4.769 1.00 1.00 H new ATOM 0 HB ILE A 6 13.340 9.885 4.161 1.00 1.00 H new ATOM 0 HG12 ILE A 6 11.281 11.573 4.385 1.00 1.00 H new ATOM 0 HG13 ILE A 6 12.526 11.850 3.183 1.00 1.00 H new ATOM 0 HG21 ILE A 6 13.026 9.431 1.742 1.00 1.00 H new ATOM 0 HG22 ILE A 6 12.899 7.943 2.710 1.00 1.00 H new ATOM 0 HG23 ILE A 6 11.428 8.725 2.084 1.00 1.00 H new ATOM 0 HD11 ILE A 6 10.270 12.142 2.192 1.00 1.00 H new ATOM 0 HD12 ILE A 6 11.102 10.761 1.438 1.00 1.00 H new ATOM 0 HD13 ILE A 6 9.838 10.480 2.659 1.00 1.00 H new ATOM 102 N SER A 7 12.308 8.524 7.076 1.00 1.00 N ATOM 103 CA SER A 7 12.726 8.813 8.447 1.00 1.00 C ATOM 104 C SER A 7 14.243 8.986 8.490 1.00 1.00 C ATOM 105 O SER A 7 14.995 8.035 8.268 1.00 1.00 O ATOM 106 CB SER A 7 12.277 7.657 9.368 1.00 1.00 C ATOM 107 OG SER A 7 12.318 6.443 8.633 1.00 1.00 O ATOM 0 H SER A 7 12.379 7.540 6.817 1.00 1.00 H new ATOM 0 HA SER A 7 12.264 9.737 8.795 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.930 7.593 10.239 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.268 7.840 9.738 1.00 1.00 H new ATOM 0 HG SER A 7 11.422 6.048 8.604 1.00 1.00 H new ATOM 113 N GLU A 8 14.681 10.211 8.779 1.00 1.00 N ATOM 114 CA GLU A 8 16.105 10.511 8.863 1.00 1.00 C ATOM 115 C GLU A 8 16.626 10.061 10.209 1.00 1.00 C ATOM 116 O GLU A 8 16.184 10.549 11.250 1.00 1.00 O ATOM 117 CB GLU A 8 16.343 12.008 8.706 1.00 1.00 C ATOM 118 CG GLU A 8 15.978 12.427 7.286 1.00 1.00 C ATOM 119 CD GLU A 8 16.163 13.930 7.117 1.00 1.00 C ATOM 120 OE1 GLU A 8 16.531 14.580 8.085 1.00 1.00 O ATOM 121 OE2 GLU A 8 15.937 14.412 6.021 1.00 1.00 O ATOM 0 H GLU A 8 14.070 11.008 8.958 1.00 1.00 H new ATOM 0 HA GLU A 8 16.627 9.986 8.063 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.742 12.562 9.427 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.387 12.246 8.911 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.603 11.893 6.570 1.00 1.00 H new ATOM 0 HG3 GLU A 8 14.944 12.154 7.073 1.00 1.00 H new ATOM 128 N THR A 9 17.559 9.115 10.181 1.00 1.00 N ATOM 129 CA THR A 9 18.134 8.570 11.414 1.00 1.00 C ATOM 130 C THR A 9 19.385 9.357 11.806 1.00 1.00 C ATOM 131 O THR A 9 19.815 10.251 11.073 1.00 1.00 O ATOM 132 CB THR A 9 18.485 7.057 11.245 1.00 1.00 C ATOM 133 OG1 THR A 9 19.897 6.879 11.169 1.00 1.00 O ATOM 134 CG2 THR A 9 17.864 6.503 9.966 1.00 1.00 C ATOM 0 H THR A 9 17.934 8.709 9.324 1.00 1.00 H new ATOM 0 HA THR A 9 17.391 8.664 12.206 1.00 1.00 H new ATOM 0 HB THR A 9 18.088 6.526 12.110 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.196 7.026 10.247 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.119 5.448 9.865 1.00 1.00 H new ATOM 0 HG22 THR A 9 16.780 6.612 10.011 1.00 1.00 H new ATOM 0 HG23 THR A 9 18.248 7.053 9.107 1.00 1.00 H new ATOM 142 N PRO A 10 19.985 9.041 12.938 1.00 1.00 N ATOM 143 CA PRO A 10 21.220 9.734 13.407 1.00 1.00 C ATOM 144 C PRO A 10 22.408 9.482 12.472 1.00 1.00 C ATOM 145 O PRO A 10 23.548 9.775 12.828 1.00 1.00 O ATOM 146 CB PRO A 10 21.488 9.129 14.820 1.00 1.00 C ATOM 147 CG PRO A 10 20.202 8.463 15.216 1.00 1.00 C ATOM 148 CD PRO A 10 19.565 7.999 13.901 1.00 1.00 C ATOM 0 HA PRO A 10 21.093 10.816 13.427 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.309 8.413 14.792 1.00 1.00 H new ATOM 0 HB3 PRO A 10 21.765 9.905 15.534 1.00 1.00 H new ATOM 0 HG2 PRO A 10 20.385 7.621 15.883 1.00 1.00 H new ATOM 0 HG3 PRO A 10 19.548 9.155 15.747 1.00 1.00 H new ATOM 0 HD2 PRO A 10 19.921 7.012 13.607 1.00 1.00 H new ATOM 0 HD3 PRO A 10 18.480 7.936 13.979 1.00 1.00 H new ATOM 156 N ASN A 11 22.152 8.932 11.281 1.00 1.00 N ATOM 157 CA ASN A 11 23.221 8.651 10.332 1.00 1.00 C ATOM 158 C ASN A 11 23.296 9.767 9.303 1.00 1.00 C ATOM 159 O ASN A 11 22.531 10.728 9.368 1.00 1.00 O ATOM 160 CB ASN A 11 22.931 7.334 9.622 1.00 1.00 C ATOM 161 CG ASN A 11 22.907 6.195 10.636 1.00 1.00 C ATOM 162 OD1 ASN A 11 23.739 6.153 11.542 1.00 1.00 O ATOM 163 ND2 ASN A 11 21.993 5.266 10.544 1.00 1.00 N ATOM 0 H ASN A 11 21.219 8.676 10.957 1.00 1.00 H new ATOM 0 HA ASN A 11 24.169 8.583 10.865 1.00 1.00 H new ATOM 0 HB2 ASN A 11 21.974 7.392 9.104 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.692 7.143 8.865 1.00 1.00 H new ATOM 0 HD21 ASN A 11 21.969 4.505 11.223 1.00 1.00 H new ATOM 0 HD22 ASN A 11 21.304 5.301 9.793 1.00 1.00 H new ATOM 170 N HIS A 12 24.233 9.637 8.361 1.00 1.00 N ATOM 171 CA HIS A 12 24.431 10.645 7.304 1.00 1.00 C ATOM 172 C HIS A 12 24.045 10.107 5.925 1.00 1.00 C ATOM 173 O HIS A 12 23.153 10.642 5.267 1.00 1.00 O ATOM 174 CB HIS A 12 25.895 11.064 7.283 1.00 1.00 C ATOM 175 CG HIS A 12 26.268 11.625 8.628 1.00 1.00 C ATOM 176 ND1 HIS A 12 25.878 12.891 9.035 1.00 1.00 N ATOM 177 CD2 HIS A 12 26.993 11.103 9.671 1.00 1.00 C ATOM 178 CE1 HIS A 12 26.367 13.087 10.273 1.00 1.00 C ATOM 179 NE2 HIS A 12 27.054 12.028 10.708 1.00 1.00 N ATOM 0 H HIS A 12 24.871 8.843 8.304 1.00 1.00 H new ATOM 0 HA HIS A 12 23.788 11.496 7.526 1.00 1.00 H new ATOM 0 HB2 HIS A 12 26.527 10.209 7.044 1.00 1.00 H new ATOM 0 HB3 HIS A 12 26.061 11.810 6.506 1.00 1.00 H new ATOM 0 HD2 HIS A 12 27.447 10.123 9.684 1.00 1.00 H new ATOM 0 HE1 HIS A 12 26.221 13.991 10.845 1.00 1.00 H new ATOM 0 HE2 HIS A 12 27.523 11.920 11.607 1.00 1.00 H new ATOM 188 N ASN A 13 24.738 9.054 5.484 1.00 1.00 N ATOM 189 CA ASN A 13 24.482 8.450 4.173 1.00 1.00 C ATOM 190 C ASN A 13 23.477 7.304 4.275 1.00 1.00 C ATOM 191 O ASN A 13 23.164 6.665 3.271 1.00 1.00 O ATOM 192 CB ASN A 13 25.790 7.919 3.594 1.00 1.00 C ATOM 193 CG ASN A 13 26.426 6.912 4.551 1.00 1.00 C ATOM 194 OD1 ASN A 13 27.525 6.424 4.292 1.00 1.00 O ATOM 195 ND2 ASN A 13 25.804 6.571 5.650 1.00 1.00 N ATOM 0 H ASN A 13 25.481 8.601 6.016 1.00 1.00 H new ATOM 0 HA ASN A 13 24.064 9.218 3.522 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.603 7.446 2.630 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.478 8.745 3.415 1.00 1.00 H new ATOM 0 HD21 ASN A 13 26.230 5.901 6.291 1.00 1.00 H new ATOM 0 HD22 ASN A 13 24.893 6.975 5.866 1.00 1.00 H new ATOM 202 N THR A 14 22.971 7.044 5.490 1.00 1.00 N ATOM 203 CA THR A 14 21.994 5.967 5.715 1.00 1.00 C ATOM 204 C THR A 14 20.674 6.564 6.183 1.00 1.00 C ATOM 205 O THR A 14 20.638 7.355 7.126 1.00 1.00 O ATOM 206 CB THR A 14 22.517 4.993 6.779 1.00 1.00 C ATOM 207 OG1 THR A 14 23.825 4.568 6.429 1.00 1.00 O ATOM 208 CG2 THR A 14 21.591 3.780 6.872 1.00 1.00 C ATOM 0 H THR A 14 23.222 7.564 6.331 1.00 1.00 H new ATOM 0 HA THR A 14 21.842 5.428 4.780 1.00 1.00 H new ATOM 0 HB THR A 14 22.544 5.496 7.745 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.160 3.947 7.109 1.00 1.00 H new ATOM 0 HG21 THR A 14 21.967 3.092 7.629 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.588 4.108 7.146 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.556 3.274 5.907 1.00 1.00 H new ATOM 216 N MET A 15 19.589 6.180 5.512 1.00 1.00 N ATOM 217 CA MET A 15 18.249 6.671 5.846 1.00 1.00 C ATOM 218 C MET A 15 17.264 5.515 5.856 1.00 1.00 C ATOM 219 O MET A 15 17.380 4.577 5.068 1.00 1.00 O ATOM 220 CB MET A 15 17.800 7.723 4.826 1.00 1.00 C ATOM 221 CG MET A 15 18.807 8.883 4.804 1.00 1.00 C ATOM 222 SD MET A 15 18.775 9.757 6.393 1.00 1.00 S ATOM 223 CE MET A 15 19.216 11.403 5.782 1.00 1.00 C ATOM 0 H MET A 15 19.611 5.527 4.729 1.00 1.00 H new ATOM 0 HA MET A 15 18.279 7.128 6.835 1.00 1.00 H new ATOM 0 HB2 MET A 15 17.725 7.275 3.835 1.00 1.00 H new ATOM 0 HB3 MET A 15 16.808 8.094 5.084 1.00 1.00 H new ATOM 0 HG2 MET A 15 19.809 8.502 4.608 1.00 1.00 H new ATOM 0 HG3 MET A 15 18.564 9.572 3.995 1.00 1.00 H new ATOM 0 HE1 MET A 15 19.251 12.103 6.616 1.00 1.00 H new ATOM 0 HE2 MET A 15 20.193 11.363 5.300 1.00 1.00 H new ATOM 0 HE3 MET A 15 18.469 11.735 5.061 1.00 1.00 H new ATOM 233 N LYS A 16 16.283 5.596 6.754 1.00 1.00 N ATOM 234 CA LYS A 16 15.260 4.555 6.873 1.00 1.00 C ATOM 235 C LYS A 16 14.036 4.962 6.071 1.00 1.00 C ATOM 236 O LYS A 16 13.517 6.064 6.242 1.00 1.00 O ATOM 237 CB LYS A 16 14.865 4.366 8.344 1.00 1.00 C ATOM 238 CG LYS A 16 13.933 3.165 8.479 1.00 1.00 C ATOM 239 CD LYS A 16 13.633 2.921 9.956 1.00 1.00 C ATOM 240 CE LYS A 16 12.722 1.704 10.090 1.00 1.00 C ATOM 241 NZ LYS A 16 12.511 1.396 11.530 1.00 1.00 N ATOM 0 H LYS A 16 16.174 6.370 7.409 1.00 1.00 H new ATOM 0 HA LYS A 16 15.660 3.616 6.490 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.756 4.216 8.953 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.372 5.264 8.716 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.007 3.346 7.933 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.395 2.281 8.039 1.00 1.00 H new ATOM 0 HD2 LYS A 16 14.560 2.758 10.505 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.154 3.798 10.392 1.00 1.00 H new ATOM 0 HE2 LYS A 16 11.765 1.898 9.605 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.167 0.846 9.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 11.890 0.567 11.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.427 1.194 11.980 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 12.068 2.212 11.998 1.00 1.00 H new ATOM 255 N VAL A 17 13.567 4.064 5.204 1.00 1.00 N ATOM 256 CA VAL A 17 12.383 4.335 4.383 1.00 1.00 C ATOM 257 C VAL A 17 11.205 3.548 4.930 1.00 1.00 C ATOM 258 O VAL A 17 11.136 2.331 4.766 1.00 1.00 O ATOM 259 CB VAL A 17 12.652 3.919 2.933 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.428 4.226 2.058 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.865 4.688 2.407 1.00 1.00 C ATOM 0 H VAL A 17 13.985 3.146 5.051 1.00 1.00 H new ATOM 0 HA VAL A 17 12.156 5.401 4.412 1.00 1.00 H new ATOM 0 HB VAL A 17 12.849 2.848 2.897 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.631 3.926 1.030 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.565 3.675 2.433 1.00 1.00 H new ATOM 0 HG13 VAL A 17 11.217 5.295 2.089 1.00 1.00 H new ATOM 0 HG21 VAL A 17 14.061 4.396 1.375 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.664 5.758 2.449 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.736 4.458 3.021 1.00 1.00 H new ATOM 271 N SER A 18 10.283 4.253 5.592 1.00 1.00 N ATOM 272 CA SER A 18 9.095 3.626 6.174 1.00 1.00 C ATOM 273 C SER A 18 7.960 3.636 5.152 1.00 1.00 C ATOM 274 O SER A 18 7.692 4.661 4.522 1.00 1.00 O ATOM 275 CB SER A 18 8.685 4.395 7.439 1.00 1.00 C ATOM 276 OG SER A 18 9.847 4.732 8.177 1.00 1.00 O ATOM 0 H SER A 18 10.338 5.261 5.738 1.00 1.00 H new ATOM 0 HA SER A 18 9.314 2.593 6.443 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.137 5.298 7.169 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.017 3.787 8.048 1.00 1.00 H new ATOM 0 HG SER A 18 9.590 5.224 8.984 1.00 1.00 H new ATOM 282 N LEU A 19 7.305 2.490 4.989 1.00 1.00 N ATOM 283 CA LEU A 19 6.209 2.358 4.037 1.00 1.00 C ATOM 284 C LEU A 19 5.384 1.121 4.346 1.00 1.00 C ATOM 285 O LEU A 19 5.889 0.154 4.916 1.00 1.00 O ATOM 286 CB LEU A 19 6.759 2.271 2.600 1.00 1.00 C ATOM 287 CG LEU A 19 7.585 0.971 2.382 1.00 1.00 C ATOM 288 CD1 LEU A 19 8.009 0.883 0.910 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.835 0.945 3.300 1.00 1.00 C ATOM 0 H LEU A 19 7.516 1.637 5.507 1.00 1.00 H new ATOM 0 HA LEU A 19 5.571 3.238 4.123 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.932 2.301 1.891 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.385 3.139 2.396 1.00 1.00 H new ATOM 0 HG LEU A 19 6.964 0.113 2.638 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.588 -0.027 0.752 1.00 1.00 H new ATOM 0 HD12 LEU A 19 7.122 0.863 0.277 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.618 1.750 0.654 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.394 0.026 3.127 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.469 1.803 3.076 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.521 0.988 4.343 1.00 1.00 H new ATOM 301 N SER A 20 4.117 1.153 3.959 1.00 1.00 N ATOM 302 CA SER A 20 3.228 0.020 4.188 1.00 1.00 C ATOM 303 C SER A 20 3.492 -1.091 3.173 1.00 1.00 C ATOM 304 O SER A 20 3.021 -1.030 2.037 1.00 1.00 O ATOM 305 CB SER A 20 1.776 0.471 4.061 1.00 1.00 C ATOM 306 OG SER A 20 1.480 0.728 2.692 1.00 1.00 O ATOM 0 H SER A 20 3.682 1.946 3.487 1.00 1.00 H new ATOM 0 HA SER A 20 3.416 -0.363 5.191 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.109 -0.298 4.451 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.609 1.369 4.656 1.00 1.00 H new ATOM 0 HG SER A 20 1.530 -0.108 2.184 1.00 1.00 H new ATOM 312 N GLU A 21 4.234 -2.113 3.600 1.00 1.00 N ATOM 313 CA GLU A 21 4.546 -3.260 2.738 1.00 1.00 C ATOM 314 C GLU A 21 4.627 -4.543 3.566 1.00 1.00 C ATOM 315 O GLU A 21 5.706 -5.116 3.735 1.00 1.00 O ATOM 316 CB GLU A 21 5.874 -3.018 1.994 1.00 1.00 C ATOM 317 CG GLU A 21 5.652 -2.013 0.860 1.00 1.00 C ATOM 318 CD GLU A 21 6.919 -1.880 0.022 1.00 1.00 C ATOM 319 OE1 GLU A 21 7.966 -2.289 0.495 1.00 1.00 O ATOM 320 OE2 GLU A 21 6.820 -1.373 -1.082 1.00 1.00 O ATOM 0 H GLU A 21 4.632 -2.173 4.537 1.00 1.00 H new ATOM 0 HA GLU A 21 3.748 -3.373 2.004 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.627 -2.640 2.686 1.00 1.00 H new ATOM 0 HB3 GLU A 21 6.254 -3.957 1.592 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.824 -2.339 0.231 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.376 -1.043 1.273 1.00 1.00 H new ATOM 408 N SER A 27 10.457 -11.828 3.044 1.00 1.00 N ATOM 409 CA SER A 27 11.715 -12.439 2.653 1.00 1.00 C ATOM 410 C SER A 27 12.849 -11.430 2.769 1.00 1.00 C ATOM 411 O SER A 27 12.812 -10.353 2.178 1.00 1.00 O ATOM 412 CB SER A 27 11.631 -12.962 1.213 1.00 1.00 C ATOM 413 OG SER A 27 12.924 -13.369 0.784 1.00 1.00 O ATOM 0 HA SER A 27 11.914 -13.276 3.322 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.937 -13.800 1.159 1.00 1.00 H new ATOM 0 HB3 SER A 27 11.245 -12.185 0.554 1.00 1.00 H new ATOM 0 HG SER A 27 12.873 -13.705 -0.135 1.00 1.00 H new ATOM 419 N PHE A 28 13.864 -11.784 3.537 1.00 1.00 N ATOM 420 CA PHE A 28 15.017 -10.898 3.734 1.00 1.00 C ATOM 421 C PHE A 28 16.172 -11.323 2.835 1.00 1.00 C ATOM 422 O PHE A 28 16.565 -12.487 2.821 1.00 1.00 O ATOM 423 CB PHE A 28 15.471 -10.957 5.195 1.00 1.00 C ATOM 424 CG PHE A 28 15.828 -12.386 5.564 1.00 1.00 C ATOM 425 CD1 PHE A 28 14.844 -13.247 6.069 1.00 1.00 C ATOM 426 CD2 PHE A 28 17.145 -12.851 5.405 1.00 1.00 C ATOM 427 CE1 PHE A 28 15.171 -14.564 6.413 1.00 1.00 C ATOM 428 CE2 PHE A 28 17.468 -14.170 5.749 1.00 1.00 C ATOM 429 CZ PHE A 28 16.482 -15.025 6.253 1.00 1.00 C ATOM 0 H PHE A 28 13.922 -12.672 4.036 1.00 1.00 H new ATOM 0 HA PHE A 28 14.720 -9.880 3.480 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.333 -10.307 5.344 1.00 1.00 H new ATOM 0 HB3 PHE A 28 14.678 -10.590 5.847 1.00 1.00 H new ATOM 0 HD1 PHE A 28 13.831 -12.894 6.193 1.00 1.00 H new ATOM 0 HD2 PHE A 28 17.908 -12.192 5.018 1.00 1.00 H new ATOM 0 HE1 PHE A 28 14.410 -15.225 6.802 1.00 1.00 H new ATOM 0 HE2 PHE A 28 18.480 -14.527 5.625 1.00 1.00 H new ATOM 0 HZ PHE A 28 16.733 -16.041 6.519 1.00 1.00 H new ATOM 439 N THR A 29 16.703 -10.365 2.075 1.00 1.00 N ATOM 440 CA THR A 29 17.799 -10.636 1.163 1.00 1.00 C ATOM 441 C THR A 29 18.406 -9.322 0.698 1.00 1.00 C ATOM 442 O THR A 29 17.701 -8.324 0.534 1.00 1.00 O ATOM 443 CB THR A 29 17.297 -11.421 -0.054 1.00 1.00 C ATOM 444 OG1 THR A 29 16.632 -12.595 0.386 1.00 1.00 O ATOM 445 CG2 THR A 29 18.480 -11.804 -0.948 1.00 1.00 C ATOM 0 H THR A 29 16.387 -9.395 2.078 1.00 1.00 H new ATOM 0 HA THR A 29 18.552 -11.229 1.682 1.00 1.00 H new ATOM 0 HB THR A 29 16.605 -10.801 -0.624 1.00 1.00 H new ATOM 0 HG1 THR A 29 17.028 -12.899 1.229 1.00 1.00 H new ATOM 0 HG21 THR A 29 18.118 -12.362 -1.812 1.00 1.00 H new ATOM 0 HG22 THR A 29 18.988 -10.901 -1.286 1.00 1.00 H new ATOM 0 HG23 THR A 29 19.178 -12.422 -0.383 1.00 1.00 H new ATOM 453 N THR A 30 19.718 -9.333 0.496 1.00 1.00 N ATOM 454 CA THR A 30 20.459 -8.143 0.049 1.00 1.00 C ATOM 455 C THR A 30 20.803 -8.246 -1.435 1.00 1.00 C ATOM 456 O THR A 30 21.544 -9.135 -1.856 1.00 1.00 O ATOM 457 CB THR A 30 21.755 -7.996 0.867 1.00 1.00 C ATOM 458 OG1 THR A 30 22.751 -7.336 0.093 1.00 1.00 O ATOM 459 CG2 THR A 30 22.269 -9.373 1.276 1.00 1.00 C ATOM 0 H THR A 30 20.302 -10.158 0.634 1.00 1.00 H new ATOM 0 HA THR A 30 19.827 -7.268 0.202 1.00 1.00 H new ATOM 0 HB THR A 30 21.540 -7.406 1.758 1.00 1.00 H new ATOM 0 HG1 THR A 30 23.571 -7.246 0.623 1.00 1.00 H new ATOM 0 HG21 THR A 30 23.186 -9.262 1.854 1.00 1.00 H new ATOM 0 HG22 THR A 30 21.516 -9.877 1.882 1.00 1.00 H new ATOM 0 HG23 THR A 30 22.472 -9.965 0.384 1.00 1.00 H new ATOM 467 N TYR A 31 20.259 -7.316 -2.218 1.00 1.00 N ATOM 468 CA TYR A 31 20.496 -7.268 -3.665 1.00 1.00 C ATOM 469 C TYR A 31 20.639 -5.827 -4.135 1.00 1.00 C ATOM 470 O TYR A 31 20.391 -4.888 -3.382 1.00 1.00 O ATOM 471 CB TYR A 31 19.345 -7.962 -4.408 1.00 1.00 C ATOM 472 CG TYR A 31 18.022 -7.496 -3.831 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.528 -6.223 -4.148 1.00 1.00 C ATOM 474 CD2 TYR A 31 17.287 -8.335 -2.974 1.00 1.00 C ATOM 475 CE1 TYR A 31 16.307 -5.795 -3.618 1.00 1.00 C ATOM 476 CE2 TYR A 31 16.069 -7.900 -2.447 1.00 1.00 C ATOM 477 CZ TYR A 31 15.579 -6.633 -2.771 1.00 1.00 C ATOM 478 OH TYR A 31 14.372 -6.212 -2.261 1.00 1.00 O ATOM 0 H TYR A 31 19.645 -6.578 -1.873 1.00 1.00 H new ATOM 0 HA TYR A 31 21.425 -7.793 -3.885 1.00 1.00 H new ATOM 0 HB2 TYR A 31 19.392 -7.731 -5.472 1.00 1.00 H new ATOM 0 HB3 TYR A 31 19.435 -9.044 -4.313 1.00 1.00 H new ATOM 0 HD1 TYR A 31 18.091 -5.573 -4.802 1.00 1.00 H new ATOM 0 HD2 TYR A 31 17.664 -9.315 -2.724 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.926 -4.815 -3.864 1.00 1.00 H new ATOM 0 HE2 TYR A 31 15.505 -8.544 -1.788 1.00 1.00 H new ATOM 0 HH TYR A 31 13.790 -6.987 -2.117 1.00 1.00 H new ATOM 488 N THR A 32 21.016 -5.663 -5.393 1.00 1.00 N ATOM 489 CA THR A 32 21.157 -4.335 -5.970 1.00 1.00 C ATOM 490 C THR A 32 21.409 -4.441 -7.472 1.00 1.00 C ATOM 491 O THR A 32 22.445 -4.946 -7.895 1.00 1.00 O ATOM 492 CB THR A 32 22.326 -3.593 -5.297 1.00 1.00 C ATOM 493 OG1 THR A 32 22.778 -2.556 -6.157 1.00 1.00 O ATOM 494 CG2 THR A 32 23.487 -4.564 -5.008 1.00 1.00 C ATOM 0 H THR A 32 21.229 -6.429 -6.032 1.00 1.00 H new ATOM 0 HA THR A 32 20.235 -3.778 -5.803 1.00 1.00 H new ATOM 0 HB THR A 32 21.981 -3.171 -4.353 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.522 -2.080 -5.732 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.305 -4.022 -4.532 1.00 1.00 H new ATOM 0 HG22 THR A 32 23.142 -5.356 -4.344 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.837 -5.001 -5.943 1.00 1.00 H new ATOM 502 N ALA A 33 20.468 -3.949 -8.272 1.00 1.00 N ATOM 503 CA ALA A 33 20.614 -3.985 -9.731 1.00 1.00 C ATOM 504 C ALA A 33 19.301 -3.594 -10.406 1.00 1.00 C ATOM 505 O ALA A 33 18.234 -4.078 -10.031 1.00 1.00 O ATOM 506 CB ALA A 33 21.038 -5.396 -10.207 1.00 1.00 C ATOM 0 H ALA A 33 19.602 -3.523 -7.943 1.00 1.00 H new ATOM 0 HA ALA A 33 21.390 -3.271 -10.009 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.140 -5.398 -11.292 1.00 1.00 H new ATOM 0 HB2 ALA A 33 21.992 -5.662 -9.752 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.281 -6.122 -9.912 1.00 1.00 H new ATOM 512 N ALA A 34 19.396 -2.750 -11.430 1.00 1.00 N ATOM 513 CA ALA A 34 18.222 -2.334 -12.192 1.00 1.00 C ATOM 514 C ALA A 34 17.926 -3.345 -13.299 1.00 1.00 C ATOM 515 O ALA A 34 18.805 -3.714 -14.079 1.00 1.00 O ATOM 516 CB ALA A 34 18.461 -0.957 -12.809 1.00 1.00 C ATOM 0 H ALA A 34 20.273 -2.341 -11.751 1.00 1.00 H new ATOM 0 HA ALA A 34 17.368 -2.284 -11.517 1.00 1.00 H new ATOM 0 HB1 ALA A 34 17.580 -0.654 -13.376 1.00 1.00 H new ATOM 0 HB2 ALA A 34 18.650 -0.232 -12.018 1.00 1.00 H new ATOM 0 HB3 ALA A 34 19.323 -1.001 -13.475 1.00 1.00 H new ATOM 522 N GLN A 35 16.675 -3.783 -13.345 1.00 1.00 N ATOM 523 CA GLN A 35 16.234 -4.754 -14.347 1.00 1.00 C ATOM 524 C GLN A 35 14.713 -4.796 -14.427 1.00 1.00 C ATOM 525 O GLN A 35 14.019 -4.327 -13.524 1.00 1.00 O ATOM 526 CB GLN A 35 16.775 -6.145 -14.007 1.00 1.00 C ATOM 527 CG GLN A 35 16.330 -6.542 -12.599 1.00 1.00 C ATOM 528 CD GLN A 35 16.956 -7.874 -12.211 1.00 1.00 C ATOM 529 OE1 GLN A 35 16.453 -8.932 -12.588 1.00 1.00 O ATOM 530 NE2 GLN A 35 18.034 -7.886 -11.476 1.00 1.00 N ATOM 0 H GLN A 35 15.944 -3.483 -12.700 1.00 1.00 H new ATOM 0 HA GLN A 35 16.624 -4.444 -15.317 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.413 -6.874 -14.732 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.863 -6.148 -14.069 1.00 1.00 H new ATOM 0 HG2 GLN A 35 16.623 -5.772 -11.886 1.00 1.00 H new ATOM 0 HG3 GLN A 35 15.243 -6.616 -12.560 1.00 1.00 H new ATOM 0 HE21 GLN A 35 18.449 -7.008 -11.165 1.00 1.00 H new ATOM 0 HE22 GLN A 35 18.462 -8.774 -11.213 1.00 1.00 H new ATOM 539 N GLU A 36 14.202 -5.360 -15.521 1.00 1.00 N ATOM 540 CA GLU A 36 12.757 -5.467 -15.725 1.00 1.00 C ATOM 541 C GLU A 36 12.208 -6.690 -15.002 1.00 1.00 C ATOM 542 O GLU A 36 12.858 -7.734 -14.940 1.00 1.00 O ATOM 543 CB GLU A 36 12.442 -5.584 -17.220 1.00 1.00 C ATOM 544 CG GLU A 36 10.923 -5.529 -17.433 1.00 1.00 C ATOM 545 CD GLU A 36 10.596 -5.555 -18.923 1.00 1.00 C ATOM 546 OE1 GLU A 36 11.481 -5.871 -19.701 1.00 1.00 O ATOM 547 OE2 GLU A 36 9.462 -5.260 -19.263 1.00 1.00 O ATOM 0 H GLU A 36 14.765 -5.749 -16.278 1.00 1.00 H new ATOM 0 HA GLU A 36 12.288 -4.569 -15.322 1.00 1.00 H new ATOM 0 HB2 GLU A 36 12.926 -4.775 -17.768 1.00 1.00 H new ATOM 0 HB3 GLU A 36 12.841 -6.519 -17.614 1.00 1.00 H new ATOM 0 HG2 GLU A 36 10.448 -6.374 -16.935 1.00 1.00 H new ATOM 0 HG3 GLU A 36 10.518 -4.624 -16.981 1.00 1.00 H new ATOM 554 N GLY A 37 10.999 -6.549 -14.459 1.00 1.00 N ATOM 555 CA GLY A 37 10.336 -7.639 -13.738 1.00 1.00 C ATOM 556 C GLY A 37 10.485 -7.457 -12.246 1.00 1.00 C ATOM 557 O GLY A 37 9.636 -7.900 -11.474 1.00 1.00 O ATOM 0 H GLY A 37 10.455 -5.687 -14.504 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.279 -7.667 -14.003 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.765 -8.595 -14.038 1.00 1.00 H new ATOM 561 N GLN A 38 11.571 -6.804 -11.833 1.00 1.00 N ATOM 562 CA GLN A 38 11.814 -6.580 -10.403 1.00 1.00 C ATOM 563 C GLN A 38 11.289 -5.205 -9.966 1.00 1.00 C ATOM 564 O GLN A 38 11.339 -4.250 -10.741 1.00 1.00 O ATOM 565 CB GLN A 38 13.315 -6.678 -10.100 1.00 1.00 C ATOM 566 CG GLN A 38 13.792 -8.120 -10.327 1.00 1.00 C ATOM 567 CD GLN A 38 15.232 -8.280 -9.865 1.00 1.00 C ATOM 568 OE1 GLN A 38 15.745 -9.397 -9.818 1.00 1.00 O ATOM 569 NE2 GLN A 38 15.918 -7.228 -9.515 1.00 1.00 N ATOM 0 H GLN A 38 12.287 -6.426 -12.453 1.00 1.00 H new ATOM 0 HA GLN A 38 11.281 -7.350 -9.845 1.00 1.00 H new ATOM 0 HB2 GLN A 38 13.871 -5.995 -10.742 1.00 1.00 H new ATOM 0 HB3 GLN A 38 13.509 -6.378 -9.070 1.00 1.00 H new ATOM 0 HG2 GLN A 38 13.150 -8.812 -9.783 1.00 1.00 H new ATOM 0 HG3 GLN A 38 13.712 -8.374 -11.384 1.00 1.00 H new ATOM 0 HE21 GLN A 38 15.490 -6.303 -9.555 1.00 1.00 H new ATOM 0 HE22 GLN A 38 16.883 -7.330 -9.201 1.00 1.00 H new ATOM 578 N PRO A 39 10.806 -5.071 -8.738 1.00 1.00 N ATOM 579 CA PRO A 39 10.297 -3.767 -8.224 1.00 1.00 C ATOM 580 C PRO A 39 11.186 -2.581 -8.630 1.00 1.00 C ATOM 581 O PRO A 39 12.407 -2.615 -8.474 1.00 1.00 O ATOM 582 CB PRO A 39 10.305 -3.966 -6.690 1.00 1.00 C ATOM 583 CG PRO A 39 10.106 -5.440 -6.474 1.00 1.00 C ATOM 584 CD PRO A 39 10.675 -6.144 -7.724 1.00 1.00 C ATOM 0 HA PRO A 39 9.316 -3.522 -8.630 1.00 1.00 H new ATOM 0 HB2 PRO A 39 11.246 -3.630 -6.256 1.00 1.00 H new ATOM 0 HB3 PRO A 39 9.511 -3.389 -6.216 1.00 1.00 H new ATOM 0 HG2 PRO A 39 10.620 -5.773 -5.573 1.00 1.00 H new ATOM 0 HG3 PRO A 39 9.050 -5.674 -6.343 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.639 -6.608 -7.512 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.010 -6.935 -8.069 1.00 1.00 H new ATOM 592 N GLU A 40 10.546 -1.544 -9.154 1.00 1.00 N ATOM 593 CA GLU A 40 11.262 -0.345 -9.579 1.00 1.00 C ATOM 594 C GLU A 40 11.895 0.340 -8.381 1.00 1.00 C ATOM 595 O GLU A 40 12.883 1.043 -8.526 1.00 1.00 O ATOM 596 CB GLU A 40 10.310 0.630 -10.283 1.00 1.00 C ATOM 597 CG GLU A 40 9.803 0.005 -11.586 1.00 1.00 C ATOM 598 CD GLU A 40 10.945 -0.126 -12.593 1.00 1.00 C ATOM 599 OE1 GLU A 40 11.922 0.591 -12.449 1.00 1.00 O ATOM 600 OE2 GLU A 40 10.825 -0.944 -13.490 1.00 1.00 O ATOM 0 H GLU A 40 9.537 -1.507 -9.295 1.00 1.00 H new ATOM 0 HA GLU A 40 12.043 -0.644 -10.278 1.00 1.00 H new ATOM 0 HB2 GLU A 40 9.469 0.867 -9.631 1.00 1.00 H new ATOM 0 HB3 GLU A 40 10.825 1.567 -10.494 1.00 1.00 H new ATOM 0 HG2 GLU A 40 9.374 -0.976 -11.383 1.00 1.00 H new ATOM 0 HG3 GLU A 40 9.007 0.620 -12.007 1.00 1.00 H new ATOM 607 N PHE A 41 11.321 0.133 -7.200 1.00 1.00 N ATOM 608 CA PHE A 41 11.844 0.755 -5.986 1.00 1.00 C ATOM 609 C PHE A 41 13.308 0.375 -5.744 1.00 1.00 C ATOM 610 O PHE A 41 13.913 0.829 -4.772 1.00 1.00 O ATOM 611 CB PHE A 41 11.009 0.321 -4.784 1.00 1.00 C ATOM 612 CG PHE A 41 9.584 0.797 -4.974 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.212 2.083 -4.560 1.00 1.00 C ATOM 614 CD2 PHE A 41 8.637 -0.045 -5.570 1.00 1.00 C ATOM 615 CE1 PHE A 41 7.896 2.524 -4.740 1.00 1.00 C ATOM 616 CE2 PHE A 41 7.321 0.396 -5.751 1.00 1.00 C ATOM 617 CZ PHE A 41 6.950 1.681 -5.335 1.00 1.00 C ATOM 0 H PHE A 41 10.500 -0.455 -7.057 1.00 1.00 H new ATOM 0 HA PHE A 41 11.787 1.836 -6.115 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.033 -0.764 -4.681 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.425 0.737 -3.867 1.00 1.00 H new ATOM 0 HD1 PHE A 41 9.941 2.734 -4.102 1.00 1.00 H new ATOM 0 HD2 PHE A 41 8.922 -1.036 -5.890 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.610 3.515 -4.420 1.00 1.00 H new ATOM 0 HE2 PHE A 41 6.592 -0.254 -6.211 1.00 1.00 H new ATOM 0 HZ PHE A 41 5.934 2.021 -5.473 1.00 1.00 H new ATOM 627 N ILE A 42 13.866 -0.465 -6.620 1.00 1.00 N ATOM 628 CA ILE A 42 15.263 -0.917 -6.494 1.00 1.00 C ATOM 629 C ILE A 42 16.105 -0.401 -7.657 1.00 1.00 C ATOM 630 O ILE A 42 17.291 -0.111 -7.503 1.00 1.00 O ATOM 631 CB ILE A 42 15.300 -2.448 -6.494 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.299 -2.980 -5.451 1.00 1.00 C ATOM 633 CG2 ILE A 42 16.712 -2.946 -6.179 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.588 -2.441 -4.037 1.00 1.00 C ATOM 0 H ILE A 42 13.374 -0.849 -7.427 1.00 1.00 H new ATOM 0 HA ILE A 42 15.672 -0.527 -5.562 1.00 1.00 H new ATOM 0 HB ILE A 42 15.022 -2.816 -7.482 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.288 -2.699 -5.745 1.00 1.00 H new ATOM 0 HG13 ILE A 42 14.336 -4.069 -5.437 1.00 1.00 H new ATOM 0 HG21 ILE A 42 16.723 -4.036 -6.183 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.406 -2.574 -6.933 1.00 1.00 H new ATOM 0 HG23 ILE A 42 17.015 -2.583 -5.197 1.00 1.00 H new ATOM 0 HD11 ILE A 42 13.856 -2.844 -3.337 1.00 1.00 H new ATOM 0 HD12 ILE A 42 15.589 -2.744 -3.730 1.00 1.00 H new ATOM 0 HD13 ILE A 42 14.524 -1.353 -4.042 1.00 1.00 H new ATOM 646 N ASN A 43 15.495 -0.310 -8.827 1.00 1.00 N ATOM 647 CA ASN A 43 16.221 0.147 -10.003 1.00 1.00 C ATOM 648 C ASN A 43 16.703 1.585 -9.833 1.00 1.00 C ATOM 649 O ASN A 43 17.813 1.931 -10.242 1.00 1.00 O ATOM 650 CB ASN A 43 15.331 0.052 -11.241 1.00 1.00 C ATOM 651 CG ASN A 43 14.778 -1.361 -11.387 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.147 -2.255 -10.628 1.00 1.00 O ATOM 653 ND2 ASN A 43 13.902 -1.613 -12.322 1.00 1.00 N ATOM 0 H ASN A 43 14.515 -0.542 -8.989 1.00 1.00 H new ATOM 0 HA ASN A 43 17.092 -0.497 -10.127 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.510 0.765 -11.163 1.00 1.00 H new ATOM 0 HB3 ASN A 43 15.902 0.320 -12.130 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.522 -2.554 -12.424 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.598 -0.869 -12.950 1.00 1.00 H new ATOM 660 N ARG A 44 15.855 2.415 -9.241 1.00 1.00 N ATOM 661 CA ARG A 44 16.179 3.826 -9.031 1.00 1.00 C ATOM 662 C ARG A 44 17.459 3.933 -8.201 1.00 1.00 C ATOM 663 O ARG A 44 18.334 4.743 -8.489 1.00 1.00 O ATOM 664 CB ARG A 44 14.992 4.558 -8.304 1.00 1.00 C ATOM 665 CG ARG A 44 13.807 3.599 -8.167 1.00 1.00 C ATOM 666 CD ARG A 44 12.629 4.279 -7.491 1.00 1.00 C ATOM 667 NE ARG A 44 12.945 4.508 -6.081 1.00 1.00 N ATOM 668 CZ ARG A 44 11.990 4.654 -5.169 1.00 1.00 C ATOM 669 NH1 ARG A 44 10.741 4.591 -5.529 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.303 4.868 -3.921 1.00 1.00 N ATOM 0 H ARG A 44 14.936 2.139 -8.896 1.00 1.00 H new ATOM 0 HA ARG A 44 16.335 4.307 -9.997 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.311 4.902 -7.320 1.00 1.00 H new ATOM 0 HB3 ARG A 44 14.695 5.441 -8.869 1.00 1.00 H new ATOM 0 HG2 ARG A 44 13.508 3.242 -9.153 1.00 1.00 H new ATOM 0 HG3 ARG A 44 14.107 2.725 -7.589 1.00 1.00 H new ATOM 0 HD2 ARG A 44 12.409 5.226 -7.984 1.00 1.00 H new ATOM 0 HD3 ARG A 44 11.737 3.659 -7.579 1.00 1.00 H new ATOM 0 HE ARG A 44 13.922 4.557 -5.791 1.00 1.00 H new ATOM 0 HH11 ARG A 44 10.500 4.430 -6.507 1.00 1.00 H new ATOM 0 HH12 ARG A 44 10.003 4.702 -4.833 1.00 1.00 H new ATOM 0 HH21 ARG A 44 13.283 4.924 -3.643 1.00 1.00 H new ATOM 0 HH22 ARG A 44 11.568 4.980 -3.223 1.00 1.00 H new ATOM 684 N LEU A 45 17.543 3.126 -7.153 1.00 1.00 N ATOM 685 CA LEU A 45 18.694 3.160 -6.269 1.00 1.00 C ATOM 686 C LEU A 45 19.968 2.765 -7.014 1.00 1.00 C ATOM 687 O LEU A 45 21.021 3.365 -6.806 1.00 1.00 O ATOM 688 CB LEU A 45 18.457 2.208 -5.076 1.00 1.00 C ATOM 689 CG LEU A 45 17.528 2.865 -4.043 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.158 3.169 -4.675 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.350 1.909 -2.857 1.00 1.00 C ATOM 0 H LEU A 45 16.830 2.443 -6.897 1.00 1.00 H new ATOM 0 HA LEU A 45 18.821 4.178 -5.902 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.017 1.275 -5.429 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.409 1.955 -4.609 1.00 1.00 H new ATOM 0 HG LEU A 45 17.969 3.802 -3.703 1.00 1.00 H new ATOM 0 HD11 LEU A 45 15.510 3.634 -3.932 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.289 3.847 -5.518 1.00 1.00 H new ATOM 0 HD13 LEU A 45 15.704 2.241 -5.023 1.00 1.00 H new ATOM 0 HD21 LEU A 45 16.692 2.365 -2.117 1.00 1.00 H new ATOM 0 HD22 LEU A 45 16.911 0.974 -3.206 1.00 1.00 H new ATOM 0 HD23 LEU A 45 18.320 1.707 -2.404 1.00 1.00 H new ATOM 703 N PHE A 46 19.879 1.753 -7.876 1.00 1.00 N ATOM 704 CA PHE A 46 21.037 1.296 -8.621 1.00 1.00 C ATOM 705 C PHE A 46 21.318 2.234 -9.784 1.00 1.00 C ATOM 706 O PHE A 46 22.096 1.915 -10.681 1.00 1.00 O ATOM 707 CB PHE A 46 20.754 -0.108 -9.142 1.00 1.00 C ATOM 708 CG PHE A 46 21.981 -0.632 -9.849 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.086 -1.029 -9.094 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.023 -0.710 -11.252 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.236 -1.505 -9.731 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.174 -1.188 -11.888 1.00 1.00 C ATOM 713 CZ PHE A 46 24.280 -1.585 -11.127 1.00 1.00 C ATOM 0 H PHE A 46 19.019 1.240 -8.071 1.00 1.00 H new ATOM 0 HA PHE A 46 21.912 1.284 -7.971 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.486 -0.768 -8.317 1.00 1.00 H new ATOM 0 HB3 PHE A 46 19.905 -0.091 -9.826 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.053 -0.968 -8.016 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.169 -0.402 -11.837 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.090 -1.811 -9.145 1.00 1.00 H new ATOM 0 HE2 PHE A 46 23.209 -1.251 -12.966 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.168 -1.954 -11.618 1.00 1.00 H new ATOM 723 N GLU A 47 20.665 3.391 -9.770 1.00 1.00 N ATOM 724 CA GLU A 47 20.847 4.376 -10.847 1.00 1.00 C ATOM 725 C GLU A 47 22.010 5.314 -10.536 1.00 1.00 C ATOM 726 O GLU A 47 22.668 5.821 -11.443 1.00 1.00 O ATOM 727 CB GLU A 47 19.561 5.194 -11.057 1.00 1.00 C ATOM 728 CG GLU A 47 19.637 5.968 -12.387 1.00 1.00 C ATOM 729 CD GLU A 47 19.543 5.005 -13.571 1.00 1.00 C ATOM 730 OE1 GLU A 47 19.248 3.843 -13.342 1.00 1.00 O ATOM 731 OE2 GLU A 47 19.765 5.443 -14.689 1.00 1.00 O ATOM 0 H GLU A 47 20.012 3.674 -9.039 1.00 1.00 H new ATOM 0 HA GLU A 47 21.073 3.830 -11.763 1.00 1.00 H new ATOM 0 HB2 GLU A 47 18.696 4.531 -11.062 1.00 1.00 H new ATOM 0 HB3 GLU A 47 19.424 5.890 -10.229 1.00 1.00 H new ATOM 0 HG2 GLU A 47 18.828 6.697 -12.438 1.00 1.00 H new ATOM 0 HG3 GLU A 47 20.572 6.526 -12.437 1.00 1.00 H new ATOM 738 N ILE A 48 22.247 5.543 -9.244 1.00 1.00 N ATOM 739 CA ILE A 48 23.322 6.434 -8.786 1.00 1.00 C ATOM 740 C ILE A 48 24.354 5.653 -7.984 1.00 1.00 C ATOM 741 O ILE A 48 24.008 4.768 -7.204 1.00 1.00 O ATOM 742 CB ILE A 48 22.727 7.544 -7.906 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.073 6.928 -6.612 1.00 1.00 C ATOM 744 CG2 ILE A 48 21.685 8.327 -8.726 1.00 1.00 C ATOM 745 CD1 ILE A 48 22.974 7.162 -5.389 1.00 1.00 C ATOM 0 H ILE A 48 21.706 5.122 -8.489 1.00 1.00 H new ATOM 0 HA ILE A 48 23.809 6.873 -9.657 1.00 1.00 H new ATOM 0 HB ILE A 48 23.518 8.223 -7.587 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.095 7.379 -6.442 1.00 1.00 H new ATOM 0 HG13 ILE A 48 21.911 5.859 -6.753 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.257 9.118 -8.110 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.166 8.768 -9.599 1.00 1.00 H new ATOM 0 HG23 ILE A 48 20.894 7.651 -9.050 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.506 6.730 -4.504 1.00 1.00 H new ATOM 0 HD12 ILE A 48 23.942 6.690 -5.555 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.113 8.233 -5.239 1.00 1.00 H new ATOM 757 N GLU A 49 25.621 5.989 -8.190 1.00 1.00 N ATOM 758 CA GLU A 49 26.705 5.322 -7.488 1.00 1.00 C ATOM 759 C GLU A 49 26.666 5.647 -6.005 1.00 1.00 C ATOM 760 O GLU A 49 26.376 6.779 -5.624 1.00 1.00 O ATOM 761 CB GLU A 49 28.052 5.768 -8.075 1.00 1.00 C ATOM 762 CG GLU A 49 28.328 7.254 -7.734 1.00 1.00 C ATOM 763 CD GLU A 49 29.533 7.760 -8.524 1.00 1.00 C ATOM 764 OE1 GLU A 49 30.195 6.949 -9.151 1.00 1.00 O ATOM 765 OE2 GLU A 49 29.781 8.956 -8.489 1.00 1.00 O ATOM 0 H GLU A 49 25.921 6.718 -8.837 1.00 1.00 H new ATOM 0 HA GLU A 49 26.587 4.246 -7.612 1.00 1.00 H new ATOM 0 HB2 GLU A 49 28.853 5.143 -7.679 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.047 5.632 -9.156 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.451 7.858 -7.968 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.513 7.361 -6.665 1.00 1.00 H new ATOM 772 N GLY A 50 26.978 4.656 -5.172 1.00 1.00 N ATOM 773 CA GLY A 50 26.997 4.854 -3.722 1.00 1.00 C ATOM 774 C GLY A 50 26.352 3.687 -3.004 1.00 1.00 C ATOM 775 O GLY A 50 26.838 3.258 -1.961 1.00 1.00 O ATOM 0 H GLY A 50 27.220 3.712 -5.473 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.026 4.971 -3.381 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.471 5.775 -3.471 1.00 1.00 H new ATOM 779 N VAL A 51 25.259 3.176 -3.561 1.00 1.00 N ATOM 780 CA VAL A 51 24.561 2.064 -2.944 1.00 1.00 C ATOM 781 C VAL A 51 25.424 0.809 -2.950 1.00 1.00 C ATOM 782 O VAL A 51 25.886 0.363 -3.998 1.00 1.00 O ATOM 783 CB VAL A 51 23.256 1.799 -3.708 1.00 1.00 C ATOM 784 CG1 VAL A 51 22.365 3.056 -3.646 1.00 1.00 C ATOM 785 CG2 VAL A 51 23.562 1.442 -5.186 1.00 1.00 C ATOM 0 H VAL A 51 24.844 3.513 -4.430 1.00 1.00 H new ATOM 0 HA VAL A 51 24.340 2.321 -1.908 1.00 1.00 H new ATOM 0 HB VAL A 51 22.736 0.959 -3.248 1.00 1.00 H new ATOM 0 HG11 VAL A 51 21.437 2.871 -4.188 1.00 1.00 H new ATOM 0 HG12 VAL A 51 22.138 3.290 -2.606 1.00 1.00 H new ATOM 0 HG13 VAL A 51 22.889 3.896 -4.101 1.00 1.00 H new ATOM 0 HG21 VAL A 51 22.628 1.256 -5.716 1.00 1.00 H new ATOM 0 HG22 VAL A 51 24.089 2.271 -5.659 1.00 1.00 H new ATOM 0 HG23 VAL A 51 24.184 0.548 -5.223 1.00 1.00 H new ATOM 795 N LYS A 52 25.640 0.234 -1.770 1.00 1.00 N ATOM 796 CA LYS A 52 26.439 -0.984 -1.656 1.00 1.00 C ATOM 797 C LYS A 52 25.525 -2.201 -1.668 1.00 1.00 C ATOM 798 O LYS A 52 25.812 -3.200 -2.325 1.00 1.00 O ATOM 799 CB LYS A 52 27.242 -0.949 -0.359 1.00 1.00 C ATOM 800 CG LYS A 52 28.220 -2.134 -0.324 1.00 1.00 C ATOM 801 CD LYS A 52 29.006 -2.145 0.997 1.00 1.00 C ATOM 802 CE LYS A 52 29.997 -0.968 1.065 1.00 1.00 C ATOM 803 NZ LYS A 52 30.965 -1.217 2.163 1.00 1.00 N ATOM 0 H LYS A 52 25.276 0.588 -0.885 1.00 1.00 H new ATOM 0 HA LYS A 52 27.125 -1.047 -2.500 1.00 1.00 H new ATOM 0 HB2 LYS A 52 27.790 -0.010 -0.285 1.00 1.00 H new ATOM 0 HB3 LYS A 52 26.570 -0.994 0.498 1.00 1.00 H new ATOM 0 HG2 LYS A 52 27.671 -3.069 -0.435 1.00 1.00 H new ATOM 0 HG3 LYS A 52 28.911 -2.068 -1.164 1.00 1.00 H new ATOM 0 HD2 LYS A 52 28.313 -2.089 1.836 1.00 1.00 H new ATOM 0 HD3 LYS A 52 29.548 -3.086 1.093 1.00 1.00 H new ATOM 0 HE2 LYS A 52 30.523 -0.862 0.116 1.00 1.00 H new ATOM 0 HE3 LYS A 52 29.462 -0.034 1.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.639 -0.427 2.217 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 30.454 -1.298 3.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 31.481 -2.100 1.977 1.00 1.00 H new ATOM 817 N SER A 53 24.422 -2.107 -0.931 1.00 1.00 N ATOM 818 CA SER A 53 23.459 -3.203 -0.855 1.00 1.00 C ATOM 819 C SER A 53 22.105 -2.671 -0.407 1.00 1.00 C ATOM 820 O SER A 53 22.021 -1.622 0.229 1.00 1.00 O ATOM 821 CB SER A 53 23.956 -4.262 0.133 1.00 1.00 C ATOM 822 OG SER A 53 24.255 -3.645 1.379 1.00 1.00 O ATOM 0 H SER A 53 24.173 -1.286 -0.379 1.00 1.00 H new ATOM 0 HA SER A 53 23.354 -3.656 -1.841 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.197 -5.032 0.269 1.00 1.00 H new ATOM 0 HB3 SER A 53 24.844 -4.756 -0.263 1.00 1.00 H new ATOM 0 HG SER A 53 23.686 -4.029 2.079 1.00 1.00 H new ATOM 828 N ILE A 54 21.047 -3.411 -0.742 1.00 1.00 N ATOM 829 CA ILE A 54 19.677 -3.027 -0.376 1.00 1.00 C ATOM 830 C ILE A 54 18.989 -4.209 0.291 1.00 1.00 C ATOM 831 O ILE A 54 18.870 -5.274 -0.302 1.00 1.00 O ATOM 832 CB ILE A 54 18.895 -2.624 -1.628 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.627 -1.463 -2.333 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.476 -2.182 -1.227 1.00 1.00 C ATOM 835 CD1 ILE A 54 19.025 -1.232 -3.716 1.00 1.00 C ATOM 0 H ILE A 54 21.110 -4.283 -1.268 1.00 1.00 H new ATOM 0 HA ILE A 54 19.710 -2.181 0.311 1.00 1.00 H new ATOM 0 HB ILE A 54 18.825 -3.473 -2.308 1.00 1.00 H new ATOM 0 HG12 ILE A 54 19.546 -0.555 -1.736 1.00 1.00 H new ATOM 0 HG13 ILE A 54 20.689 -1.692 -2.423 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.919 -1.895 -2.119 1.00 1.00 H new ATOM 0 HG22 ILE A 54 16.965 -3.006 -0.730 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.538 -1.331 -0.548 1.00 1.00 H new ATOM 0 HD11 ILE A 54 19.547 -0.411 -4.207 1.00 1.00 H new ATOM 0 HD12 ILE A 54 19.129 -2.138 -4.314 1.00 1.00 H new ATOM 0 HD13 ILE A 54 17.969 -0.982 -3.616 1.00 1.00 H new ATOM 847 N PHE A 55 18.503 -3.996 1.510 1.00 1.00 N ATOM 848 CA PHE A 55 17.794 -5.027 2.269 1.00 1.00 C ATOM 849 C PHE A 55 16.302 -4.788 2.201 1.00 1.00 C ATOM 850 O PHE A 55 15.843 -3.650 2.304 1.00 1.00 O ATOM 851 CB PHE A 55 18.232 -4.973 3.732 1.00 1.00 C ATOM 852 CG PHE A 55 19.732 -5.163 3.811 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.581 -4.096 3.497 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.276 -6.402 4.185 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.970 -4.262 3.559 1.00 1.00 C ATOM 856 CE2 PHE A 55 21.665 -6.567 4.249 1.00 1.00 C ATOM 857 CZ PHE A 55 22.511 -5.497 3.935 1.00 1.00 C ATOM 0 H PHE A 55 18.588 -3.106 2.001 1.00 1.00 H new ATOM 0 HA PHE A 55 18.028 -6.002 1.841 1.00 1.00 H new ATOM 0 HB2 PHE A 55 17.951 -4.017 4.173 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.725 -5.749 4.305 1.00 1.00 H new ATOM 0 HD1 PHE A 55 20.164 -3.143 3.206 1.00 1.00 H new ATOM 0 HD2 PHE A 55 19.623 -7.228 4.423 1.00 1.00 H new ATOM 0 HE1 PHE A 55 22.624 -3.437 3.317 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.083 -7.519 4.540 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.582 -5.624 3.983 1.00 1.00 H new ATOM 867 N TYR A 56 15.548 -5.875 2.043 1.00 1.00 N ATOM 868 CA TYR A 56 14.082 -5.805 1.972 1.00 1.00 C ATOM 869 C TYR A 56 13.461 -6.756 2.992 1.00 1.00 C ATOM 870 O TYR A 56 13.560 -7.970 2.861 1.00 1.00 O ATOM 871 CB TYR A 56 13.606 -6.153 0.548 1.00 1.00 C ATOM 872 CG TYR A 56 12.099 -6.394 0.540 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.229 -5.400 1.025 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.574 -7.618 0.083 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.852 -5.630 1.049 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.196 -7.839 0.114 1.00 1.00 C ATOM 877 CZ TYR A 56 9.339 -6.848 0.598 1.00 1.00 C ATOM 878 OH TYR A 56 7.986 -7.074 0.623 1.00 1.00 O ATOM 0 H TYR A 56 15.926 -6.819 1.961 1.00 1.00 H new ATOM 0 HA TYR A 56 13.763 -4.790 2.207 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.855 -5.341 -0.135 1.00 1.00 H new ATOM 0 HB3 TYR A 56 14.126 -7.042 0.190 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.626 -4.460 1.378 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.236 -8.385 -0.291 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.183 -4.866 1.417 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.792 -8.777 -0.237 1.00 1.00 H new ATOM 0 HH TYR A 56 7.797 -7.970 0.274 1.00 1.00 H new ATOM 888 N VAL A 57 12.806 -6.187 3.995 1.00 1.00 N ATOM 889 CA VAL A 57 12.157 -6.996 5.018 1.00 1.00 C ATOM 890 C VAL A 57 11.200 -6.149 5.845 1.00 1.00 C ATOM 891 O VAL A 57 11.379 -4.944 5.954 1.00 1.00 O ATOM 892 CB VAL A 57 13.223 -7.633 5.915 1.00 1.00 C ATOM 893 CG1 VAL A 57 14.045 -6.539 6.607 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.550 -8.527 6.968 1.00 1.00 C ATOM 0 H VAL A 57 12.710 -5.179 4.122 1.00 1.00 H new ATOM 0 HA VAL A 57 11.577 -7.783 4.536 1.00 1.00 H new ATOM 0 HB VAL A 57 13.888 -8.242 5.302 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.801 -6.999 7.243 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.533 -5.919 5.854 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.387 -5.920 7.216 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.312 -8.978 7.603 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.877 -7.926 7.579 1.00 1.00 H new ATOM 0 HG23 VAL A 57 11.982 -9.313 6.469 1.00 1.00 H new ATOM 904 N LEU A 58 10.198 -6.782 6.446 1.00 1.00 N ATOM 905 CA LEU A 58 9.244 -6.054 7.285 1.00 1.00 C ATOM 906 C LEU A 58 8.609 -4.887 6.516 1.00 1.00 C ATOM 907 O LEU A 58 8.654 -4.824 5.285 1.00 1.00 O ATOM 908 CB LEU A 58 9.987 -5.557 8.574 1.00 1.00 C ATOM 909 CG LEU A 58 10.092 -6.718 9.614 1.00 1.00 C ATOM 910 CD1 LEU A 58 11.347 -6.561 10.492 1.00 1.00 C ATOM 911 CD2 LEU A 58 8.849 -6.734 10.522 1.00 1.00 C ATOM 0 H LEU A 58 10.024 -7.784 6.372 1.00 1.00 H new ATOM 0 HA LEU A 58 8.429 -6.718 7.574 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.984 -5.200 8.314 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.450 -4.715 9.011 1.00 1.00 H new ATOM 0 HG LEU A 58 10.159 -7.654 9.060 1.00 1.00 H new ATOM 0 HD11 LEU A 58 11.396 -7.382 11.207 1.00 1.00 H new ATOM 0 HD12 LEU A 58 12.236 -6.575 9.862 1.00 1.00 H new ATOM 0 HD13 LEU A 58 11.299 -5.614 11.030 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.935 -7.548 11.242 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.775 -5.785 11.054 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.956 -6.880 9.914 1.00 1.00 H new ATOM 923 N ASP A 59 8.013 -3.976 7.271 1.00 1.00 N ATOM 924 CA ASP A 59 7.356 -2.796 6.711 1.00 1.00 C ATOM 925 C ASP A 59 8.348 -1.650 6.539 1.00 1.00 C ATOM 926 O ASP A 59 7.950 -0.511 6.310 1.00 1.00 O ATOM 927 CB ASP A 59 6.216 -2.355 7.627 1.00 1.00 C ATOM 928 CG ASP A 59 5.180 -3.471 7.716 1.00 1.00 C ATOM 929 OD1 ASP A 59 5.160 -4.303 6.823 1.00 1.00 O ATOM 930 OD2 ASP A 59 4.427 -3.478 8.672 1.00 1.00 O ATOM 0 H ASP A 59 7.969 -4.030 8.289 1.00 1.00 H new ATOM 0 HA ASP A 59 6.958 -3.058 5.731 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.601 -2.121 8.619 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.755 -1.446 7.241 1.00 1.00 H new ATOM 935 N PHE A 60 9.646 -1.952 6.648 1.00 1.00 N ATOM 936 CA PHE A 60 10.689 -0.932 6.493 1.00 1.00 C ATOM 937 C PHE A 60 11.947 -1.558 5.898 1.00 1.00 C ATOM 938 O PHE A 60 12.159 -2.760 5.995 1.00 1.00 O ATOM 939 CB PHE A 60 11.022 -0.293 7.843 1.00 1.00 C ATOM 940 CG PHE A 60 11.567 -1.345 8.787 1.00 1.00 C ATOM 941 CD1 PHE A 60 12.923 -1.686 8.733 1.00 1.00 C ATOM 942 CD2 PHE A 60 10.726 -1.972 9.718 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.439 -2.648 9.605 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.242 -2.933 10.590 1.00 1.00 C ATOM 945 CZ PHE A 60 12.601 -3.270 10.536 1.00 1.00 C ATOM 0 H PHE A 60 9.998 -2.889 6.842 1.00 1.00 H new ATOM 0 HA PHE A 60 10.317 -0.159 5.821 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.755 0.503 7.708 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.129 0.164 8.270 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.572 -1.205 8.016 1.00 1.00 H new ATOM 0 HD2 PHE A 60 9.679 -1.711 9.761 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.485 -2.911 9.560 1.00 1.00 H new ATOM 0 HE2 PHE A 60 10.594 -3.416 11.306 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.001 -4.010 11.213 1.00 1.00 H new ATOM 955 N ILE A 61 12.778 -0.725 5.286 1.00 1.00 N ATOM 956 CA ILE A 61 14.023 -1.173 4.665 1.00 1.00 C ATOM 957 C ILE A 61 15.180 -0.258 5.045 1.00 1.00 C ATOM 958 O ILE A 61 14.975 0.854 5.533 1.00 1.00 O ATOM 959 CB ILE A 61 13.843 -1.191 3.144 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.496 0.221 2.638 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.699 -2.158 2.771 1.00 1.00 C ATOM 962 CD1 ILE A 61 13.411 0.210 1.110 1.00 1.00 C ATOM 0 H ILE A 61 12.611 0.278 5.205 1.00 1.00 H new ATOM 0 HA ILE A 61 14.258 -2.176 5.022 1.00 1.00 H new ATOM 0 HB ILE A 61 14.773 -1.522 2.681 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.547 0.548 3.063 1.00 1.00 H new ATOM 0 HG13 ILE A 61 14.254 0.933 2.965 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.571 -2.170 1.689 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.943 -3.162 3.119 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.774 -1.826 3.242 1.00 1.00 H new ATOM 0 HD11 ILE A 61 13.165 1.210 0.752 1.00 1.00 H new ATOM 0 HD12 ILE A 61 14.370 -0.099 0.694 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.637 -0.489 0.794 1.00 1.00 H new ATOM 974 N SER A 62 16.398 -0.737 4.802 1.00 1.00 N ATOM 975 CA SER A 62 17.614 0.028 5.096 1.00 1.00 C ATOM 976 C SER A 62 18.574 -0.072 3.919 1.00 1.00 C ATOM 977 O SER A 62 18.792 -1.157 3.376 1.00 1.00 O ATOM 978 CB SER A 62 18.282 -0.518 6.357 1.00 1.00 C ATOM 979 OG SER A 62 18.517 -1.911 6.200 1.00 1.00 O ATOM 0 H SER A 62 16.573 -1.658 4.399 1.00 1.00 H new ATOM 0 HA SER A 62 17.350 1.073 5.260 1.00 1.00 H new ATOM 0 HB2 SER A 62 19.222 0.003 6.539 1.00 1.00 H new ATOM 0 HB3 SER A 62 17.647 -0.340 7.225 1.00 1.00 H new ATOM 0 HG SER A 62 18.947 -2.263 7.007 1.00 1.00 H new ATOM 985 N ILE A 63 19.138 1.073 3.524 1.00 1.00 N ATOM 986 CA ILE A 63 20.071 1.144 2.398 1.00 1.00 C ATOM 987 C ILE A 63 21.426 1.642 2.879 1.00 1.00 C ATOM 988 O ILE A 63 21.522 2.649 3.581 1.00 1.00 O ATOM 989 CB ILE A 63 19.527 2.106 1.326 1.00 1.00 C ATOM 990 CG1 ILE A 63 18.051 1.724 0.958 1.00 1.00 C ATOM 991 CG2 ILE A 63 20.432 2.028 0.076 1.00 1.00 C ATOM 992 CD1 ILE A 63 17.053 2.577 1.756 1.00 1.00 C ATOM 0 H ILE A 63 18.962 1.972 3.973 1.00 1.00 H new ATOM 0 HA ILE A 63 20.181 0.148 1.969 1.00 1.00 H new ATOM 0 HB ILE A 63 19.529 3.126 1.711 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.888 1.869 -0.110 1.00 1.00 H new ATOM 0 HG13 ILE A 63 17.881 0.668 1.166 1.00 1.00 H new ATOM 0 HG21 ILE A 63 20.055 2.706 -0.689 1.00 1.00 H new ATOM 0 HG22 ILE A 63 21.449 2.314 0.345 1.00 1.00 H new ATOM 0 HG23 ILE A 63 20.432 1.009 -0.310 1.00 1.00 H new ATOM 0 HD11 ILE A 63 16.035 2.295 1.485 1.00 1.00 H new ATOM 0 HD12 ILE A 63 17.204 2.411 2.823 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.211 3.631 1.527 1.00 1.00 H new ATOM 1004 N ASP A 64 22.467 0.923 2.482 1.00 1.00 N ATOM 1005 CA ASP A 64 23.839 1.274 2.850 1.00 1.00 C ATOM 1006 C ASP A 64 24.525 1.991 1.700 1.00 1.00 C ATOM 1007 O ASP A 64 24.938 1.358 0.728 1.00 1.00 O ATOM 1008 CB ASP A 64 24.631 0.010 3.202 1.00 1.00 C ATOM 1009 CG ASP A 64 25.976 0.388 3.825 1.00 1.00 C ATOM 1010 OD1 ASP A 64 26.116 1.524 4.250 1.00 1.00 O ATOM 1011 OD2 ASP A 64 26.848 -0.464 3.866 1.00 1.00 O ATOM 0 H ASP A 64 22.390 0.088 1.902 1.00 1.00 H new ATOM 0 HA ASP A 64 23.805 1.934 3.717 1.00 1.00 H new ATOM 0 HB2 ASP A 64 24.059 -0.605 3.897 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.792 -0.589 2.306 1.00 1.00 H new ATOM 1016 N LYS A 65 24.643 3.316 1.816 1.00 1.00 N ATOM 1017 CA LYS A 65 25.279 4.133 0.781 1.00 1.00 C ATOM 1018 C LYS A 65 26.605 4.696 1.277 1.00 1.00 C ATOM 1019 O LYS A 65 26.729 5.078 2.440 1.00 1.00 O ATOM 1020 CB LYS A 65 24.365 5.294 0.412 1.00 1.00 C ATOM 1021 CG LYS A 65 22.957 4.768 0.115 1.00 1.00 C ATOM 1022 CD LYS A 65 22.050 5.920 -0.389 1.00 1.00 C ATOM 1023 CE LYS A 65 22.243 6.168 -1.909 1.00 1.00 C ATOM 1024 NZ LYS A 65 21.959 7.597 -2.206 1.00 1.00 N ATOM 0 H LYS A 65 24.305 3.847 2.619 1.00 1.00 H new ATOM 0 HA LYS A 65 25.460 3.501 -0.089 1.00 1.00 H new ATOM 0 HB2 LYS A 65 24.330 6.015 1.228 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.759 5.817 -0.459 1.00 1.00 H new ATOM 0 HG2 LYS A 65 23.006 3.979 -0.636 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.529 4.325 1.014 1.00 1.00 H new ATOM 0 HD2 LYS A 65 21.006 5.678 -0.188 1.00 1.00 H new ATOM 0 HD3 LYS A 65 22.278 6.832 0.162 1.00 1.00 H new ATOM 0 HE2 LYS A 65 23.262 5.917 -2.205 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.576 5.524 -2.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 21.541 7.678 -3.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 21.293 7.972 -1.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 22.844 8.142 -2.170 1.00 1.00 H new ATOM 1038 N GLU A 66 27.588 4.753 0.388 1.00 1.00 N ATOM 1039 CA GLU A 66 28.894 5.276 0.749 1.00 1.00 C ATOM 1040 C GLU A 66 28.783 6.752 1.124 1.00 1.00 C ATOM 1041 O GLU A 66 27.728 7.370 0.971 1.00 1.00 O ATOM 1042 CB GLU A 66 29.872 5.091 -0.435 1.00 1.00 C ATOM 1043 CG GLU A 66 30.369 3.640 -0.498 1.00 1.00 C ATOM 1044 CD GLU A 66 29.194 2.691 -0.701 1.00 1.00 C ATOM 1045 OE1 GLU A 66 28.487 2.444 0.261 1.00 1.00 O ATOM 1046 OE2 GLU A 66 29.020 2.225 -1.815 1.00 1.00 O ATOM 0 H GLU A 66 27.505 4.445 -0.581 1.00 1.00 H new ATOM 0 HA GLU A 66 29.275 4.729 1.612 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.375 5.353 -1.369 1.00 1.00 H new ATOM 0 HB3 GLU A 66 30.719 5.768 -0.324 1.00 1.00 H new ATOM 0 HG2 GLU A 66 31.083 3.527 -1.314 1.00 1.00 H new ATOM 0 HG3 GLU A 66 30.895 3.388 0.423 1.00 1.00 H new ATOM 1053 N ASP A 67 29.886 7.305 1.609 1.00 1.00 N ATOM 1054 CA ASP A 67 29.928 8.707 1.996 1.00 1.00 C ATOM 1055 C ASP A 67 29.861 9.613 0.769 1.00 1.00 C ATOM 1056 O ASP A 67 29.640 10.817 0.897 1.00 1.00 O ATOM 1057 CB ASP A 67 31.211 9.004 2.771 1.00 1.00 C ATOM 1058 CG ASP A 67 32.436 8.620 1.944 1.00 1.00 C ATOM 1059 OD1 ASP A 67 32.261 8.034 0.886 1.00 1.00 O ATOM 1060 OD2 ASP A 67 33.535 8.924 2.379 1.00 1.00 O ATOM 0 H ASP A 67 30.764 6.803 1.744 1.00 1.00 H new ATOM 0 HA ASP A 67 29.064 8.905 2.630 1.00 1.00 H new ATOM 0 HB2 ASP A 67 31.253 10.063 3.024 1.00 1.00 H new ATOM 0 HB3 ASP A 67 31.211 8.452 3.711 1.00 1.00 H new ATOM 1065 N ASN A 68 30.068 9.041 -0.424 1.00 1.00 N ATOM 1066 CA ASN A 68 30.046 9.820 -1.664 1.00 1.00 C ATOM 1067 C ASN A 68 28.636 9.874 -2.238 1.00 1.00 C ATOM 1068 O ASN A 68 28.439 10.327 -3.366 1.00 1.00 O ATOM 1069 CB ASN A 68 30.985 9.173 -2.686 1.00 1.00 C ATOM 1070 CG ASN A 68 32.426 9.261 -2.196 1.00 1.00 C ATOM 1071 OD1 ASN A 68 32.804 10.240 -1.553 1.00 1.00 O ATOM 1072 ND2 ASN A 68 33.255 8.289 -2.459 1.00 1.00 N ATOM 0 H ASN A 68 30.252 8.046 -0.554 1.00 1.00 H new ATOM 0 HA ASN A 68 30.375 10.836 -1.446 1.00 1.00 H new ATOM 0 HB2 ASN A 68 30.707 8.130 -2.839 1.00 1.00 H new ATOM 0 HB3 ASN A 68 30.888 9.673 -3.649 1.00 1.00 H new ATOM 0 HD21 ASN A 68 34.220 8.339 -2.132 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.939 7.479 -2.992 1.00 1.00 H new ATOM 1079 N ALA A 69 27.654 9.405 -1.461 1.00 1.00 N ATOM 1080 CA ALA A 69 26.252 9.400 -1.892 1.00 1.00 C ATOM 1081 C ALA A 69 25.495 10.542 -1.229 1.00 1.00 C ATOM 1082 O ALA A 69 25.826 10.954 -0.117 1.00 1.00 O ATOM 1083 CB ALA A 69 25.603 8.067 -1.503 1.00 1.00 C ATOM 0 H ALA A 69 27.805 9.023 -0.527 1.00 1.00 H new ATOM 0 HA ALA A 69 26.213 9.528 -2.974 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.561 8.063 -1.823 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.135 7.248 -1.988 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.651 7.941 -0.421 1.00 1.00 H new ATOM 1089 N ASN A 70 24.472 11.041 -1.913 1.00 1.00 N ATOM 1090 CA ASN A 70 23.653 12.135 -1.391 1.00 1.00 C ATOM 1091 C ASN A 70 22.194 11.927 -1.807 1.00 1.00 C ATOM 1092 O ASN A 70 21.887 11.727 -2.983 1.00 1.00 O ATOM 1093 CB ASN A 70 24.189 13.478 -1.924 1.00 1.00 C ATOM 1094 CG ASN A 70 24.537 13.355 -3.410 1.00 1.00 C ATOM 1095 OD1 ASN A 70 25.335 14.139 -3.925 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.991 12.414 -4.131 1.00 1.00 N ATOM 0 H ASN A 70 24.187 10.706 -2.833 1.00 1.00 H new ATOM 0 HA ASN A 70 23.703 12.149 -0.302 1.00 1.00 H new ATOM 0 HB2 ASN A 70 23.442 14.259 -1.781 1.00 1.00 H new ATOM 0 HB3 ASN A 70 25.073 13.775 -1.359 1.00 1.00 H new ATOM 0 HD21 ASN A 70 24.225 12.328 -5.120 1.00 1.00 H new ATOM 0 HD22 ASN A 70 23.330 11.764 -3.705 1.00 1.00 H new ATOM 1103 N TRP A 71 21.302 11.958 -0.826 1.00 1.00 N ATOM 1104 CA TRP A 71 19.883 11.758 -1.087 1.00 1.00 C ATOM 1105 C TRP A 71 19.328 12.883 -1.958 1.00 1.00 C ATOM 1106 O TRP A 71 18.275 12.738 -2.573 1.00 1.00 O ATOM 1107 CB TRP A 71 19.112 11.710 0.230 1.00 1.00 C ATOM 1108 CG TRP A 71 19.632 10.583 1.063 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.617 10.692 1.984 1.00 1.00 C ATOM 1110 CD2 TRP A 71 19.220 9.186 1.068 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.838 9.450 2.550 1.00 1.00 N ATOM 1112 CE2 TRP A 71 20.003 8.490 2.017 1.00 1.00 C ATOM 1113 CE3 TRP A 71 18.256 8.462 0.346 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 19.834 7.125 2.245 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 18.084 7.087 0.573 1.00 1.00 C ATOM 1116 CH2 TRP A 71 18.872 6.420 1.520 1.00 1.00 C ATOM 0 H TRP A 71 21.535 12.119 0.154 1.00 1.00 H new ATOM 0 HA TRP A 71 19.764 10.812 -1.616 1.00 1.00 H new ATOM 0 HB2 TRP A 71 19.222 12.654 0.764 1.00 1.00 H new ATOM 0 HB3 TRP A 71 18.048 11.575 0.037 1.00 1.00 H new ATOM 0 HD1 TRP A 71 21.144 11.600 2.236 1.00 1.00 H new ATOM 0 HE1 TRP A 71 21.533 9.266 3.273 1.00 1.00 H new ATOM 0 HE3 TRP A 71 17.644 8.966 -0.388 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 20.443 6.617 2.978 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 17.339 6.540 0.014 1.00 1.00 H new ATOM 0 HH2 TRP A 71 18.735 5.362 1.689 1.00 1.00 H new ATOM 1127 N ASN A 72 20.036 14.009 -1.996 1.00 1.00 N ATOM 1128 CA ASN A 72 19.590 15.156 -2.788 1.00 1.00 C ATOM 1129 C ASN A 72 19.338 14.751 -4.244 1.00 1.00 C ATOM 1130 O ASN A 72 18.633 15.441 -4.980 1.00 1.00 O ATOM 1131 CB ASN A 72 20.653 16.264 -2.732 1.00 1.00 C ATOM 1132 CG ASN A 72 21.907 15.838 -3.494 1.00 1.00 C ATOM 1133 OD1 ASN A 72 22.733 16.676 -3.858 1.00 1.00 O ATOM 1134 ND2 ASN A 72 22.092 14.578 -3.762 1.00 1.00 N ATOM 0 H ASN A 72 20.912 14.153 -1.494 1.00 1.00 H new ATOM 0 HA ASN A 72 18.654 15.524 -2.369 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.253 17.182 -3.162 1.00 1.00 H new ATOM 0 HB3 ASN A 72 20.907 16.481 -1.694 1.00 1.00 H new ATOM 0 HD21 ASN A 72 22.923 14.282 -4.275 1.00 1.00 H new ATOM 0 HD22 ASN A 72 21.406 13.886 -3.459 1.00 1.00 H new ATOM 1141 N GLU A 73 19.926 13.623 -4.642 1.00 1.00 N ATOM 1142 CA GLU A 73 19.776 13.100 -6.008 1.00 1.00 C ATOM 1143 C GLU A 73 18.665 12.060 -6.057 1.00 1.00 C ATOM 1144 O GLU A 73 17.968 11.939 -7.062 1.00 1.00 O ATOM 1145 CB GLU A 73 21.114 12.478 -6.486 1.00 1.00 C ATOM 1146 CG GLU A 73 22.095 13.583 -6.921 1.00 1.00 C ATOM 1147 CD GLU A 73 21.632 14.221 -8.230 1.00 1.00 C ATOM 1148 OE1 GLU A 73 20.880 13.585 -8.945 1.00 1.00 O ATOM 1149 OE2 GLU A 73 22.032 15.347 -8.489 1.00 1.00 O ATOM 0 H GLU A 73 20.514 13.049 -4.038 1.00 1.00 H new ATOM 0 HA GLU A 73 19.511 13.922 -6.673 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.555 11.887 -5.683 1.00 1.00 H new ATOM 0 HB3 GLU A 73 20.930 11.798 -7.318 1.00 1.00 H new ATOM 0 HG2 GLU A 73 22.165 14.343 -6.143 1.00 1.00 H new ATOM 0 HG3 GLU A 73 23.093 13.163 -7.047 1.00 1.00 H new ATOM 1156 N LEU A 74 18.496 11.304 -4.980 1.00 1.00 N ATOM 1157 CA LEU A 74 17.452 10.286 -4.946 1.00 1.00 C ATOM 1158 C LEU A 74 16.068 10.914 -4.916 1.00 1.00 C ATOM 1159 O LEU A 74 15.170 10.446 -5.594 1.00 1.00 O ATOM 1160 CB LEU A 74 17.633 9.394 -3.715 1.00 1.00 C ATOM 1161 CG LEU A 74 18.713 8.335 -3.981 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.023 9.028 -4.412 1.00 1.00 C ATOM 1163 CD2 LEU A 74 18.938 7.522 -2.703 1.00 1.00 C ATOM 0 H LEU A 74 19.057 11.373 -4.131 1.00 1.00 H new ATOM 0 HA LEU A 74 17.539 9.687 -5.853 1.00 1.00 H new ATOM 0 HB2 LEU A 74 17.913 10.002 -2.855 1.00 1.00 H new ATOM 0 HB3 LEU A 74 16.690 8.907 -3.468 1.00 1.00 H new ATOM 0 HG LEU A 74 18.392 7.668 -4.781 1.00 1.00 H new ATOM 0 HD11 LEU A 74 20.788 8.275 -4.600 1.00 1.00 H new ATOM 0 HD12 LEU A 74 19.848 9.603 -5.321 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.359 9.696 -3.619 1.00 1.00 H new ATOM 0 HD21 LEU A 74 19.704 6.767 -2.882 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.263 8.186 -1.902 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.007 7.034 -2.414 1.00 1.00 H new ATOM 1175 N LEU A 75 15.906 11.973 -4.122 1.00 1.00 N ATOM 1176 CA LEU A 75 14.608 12.649 -4.000 1.00 1.00 C ATOM 1177 C LEU A 75 13.961 12.848 -5.384 1.00 1.00 C ATOM 1178 O LEU A 75 12.869 12.354 -5.646 1.00 1.00 O ATOM 1179 CB LEU A 75 14.785 14.024 -3.296 1.00 1.00 C ATOM 1180 CG LEU A 75 14.391 13.961 -1.808 1.00 1.00 C ATOM 1181 CD1 LEU A 75 15.395 13.089 -1.051 1.00 1.00 C ATOM 1182 CD2 LEU A 75 14.403 15.388 -1.234 1.00 1.00 C ATOM 0 H LEU A 75 16.650 12.381 -3.556 1.00 1.00 H new ATOM 0 HA LEU A 75 13.951 12.020 -3.399 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.823 14.346 -3.384 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.175 14.772 -3.802 1.00 1.00 H new ATOM 0 HG LEU A 75 13.396 13.529 -1.702 1.00 1.00 H new ATOM 0 HD11 LEU A 75 15.117 13.044 0.002 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.392 12.083 -1.470 1.00 1.00 H new ATOM 0 HD13 LEU A 75 16.393 13.518 -1.145 1.00 1.00 H new ATOM 0 HD21 LEU A 75 14.126 15.359 -0.180 1.00 1.00 H new ATOM 0 HD22 LEU A 75 15.402 15.812 -1.335 1.00 1.00 H new ATOM 0 HD23 LEU A 75 13.690 16.006 -1.780 1.00 1.00 H new ATOM 1194 N PRO A 76 14.586 13.583 -6.265 1.00 1.00 N ATOM 1195 CA PRO A 76 14.019 13.817 -7.624 1.00 1.00 C ATOM 1196 C PRO A 76 13.982 12.531 -8.459 1.00 1.00 C ATOM 1197 O PRO A 76 13.149 12.392 -9.353 1.00 1.00 O ATOM 1198 CB PRO A 76 14.978 14.864 -8.237 1.00 1.00 C ATOM 1199 CG PRO A 76 16.276 14.634 -7.527 1.00 1.00 C ATOM 1200 CD PRO A 76 15.878 14.287 -6.091 1.00 1.00 C ATOM 0 HA PRO A 76 12.983 14.155 -7.593 1.00 1.00 H new ATOM 0 HB2 PRO A 76 15.083 14.726 -9.313 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.613 15.879 -8.080 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.841 13.824 -7.988 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.908 15.522 -7.559 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.621 13.653 -5.608 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.772 15.180 -5.475 1.00 1.00 H new ATOM 1208 N GLN A 77 14.905 11.608 -8.183 1.00 1.00 N ATOM 1209 CA GLN A 77 14.983 10.361 -8.959 1.00 1.00 C ATOM 1210 C GLN A 77 13.884 9.371 -8.579 1.00 1.00 C ATOM 1211 O GLN A 77 13.173 8.840 -9.433 1.00 1.00 O ATOM 1212 CB GLN A 77 16.353 9.713 -8.735 1.00 1.00 C ATOM 1213 CG GLN A 77 16.605 8.639 -9.792 1.00 1.00 C ATOM 1214 CD GLN A 77 17.999 8.058 -9.615 1.00 1.00 C ATOM 1215 OE1 GLN A 77 18.289 7.421 -8.602 1.00 1.00 O ATOM 1216 NE2 GLN A 77 18.891 8.259 -10.544 1.00 1.00 N ATOM 0 H GLN A 77 15.600 11.694 -7.441 1.00 1.00 H new ATOM 0 HA GLN A 77 14.844 10.615 -10.010 1.00 1.00 H new ATOM 0 HB2 GLN A 77 17.135 10.471 -8.782 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.397 9.272 -7.739 1.00 1.00 H new ATOM 0 HG2 GLN A 77 15.859 7.849 -9.706 1.00 1.00 H new ATOM 0 HG3 GLN A 77 16.503 9.067 -10.789 1.00 1.00 H new ATOM 0 HE21 GLN A 77 18.645 8.787 -11.381 1.00 1.00 H new ATOM 0 HE22 GLN A 77 19.835 7.888 -10.434 1.00 1.00 H new ATOM 1225 N ILE A 78 13.775 9.120 -7.284 1.00 1.00 N ATOM 1226 CA ILE A 78 12.786 8.183 -6.773 1.00 1.00 C ATOM 1227 C ILE A 78 11.376 8.687 -7.042 1.00 1.00 C ATOM 1228 O ILE A 78 10.485 7.914 -7.391 1.00 1.00 O ATOM 1229 CB ILE A 78 12.992 7.944 -5.265 1.00 1.00 C ATOM 1230 CG1 ILE A 78 12.859 9.293 -4.464 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.380 7.302 -5.058 1.00 1.00 C ATOM 1232 CD1 ILE A 78 11.500 9.376 -3.759 1.00 1.00 C ATOM 0 H ILE A 78 14.359 9.552 -6.567 1.00 1.00 H new ATOM 0 HA ILE A 78 12.917 7.235 -7.294 1.00 1.00 H new ATOM 0 HB ILE A 78 12.223 7.271 -4.886 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.660 9.365 -3.729 1.00 1.00 H new ATOM 0 HG13 ILE A 78 12.973 10.137 -5.144 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.544 7.125 -3.995 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.426 6.355 -5.595 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.151 7.972 -5.438 1.00 1.00 H new ATOM 0 HD11 ILE A 78 11.431 10.316 -3.212 1.00 1.00 H new ATOM 0 HD12 ILE A 78 10.702 9.328 -4.500 1.00 1.00 H new ATOM 0 HD13 ILE A 78 11.400 8.543 -3.063 1.00 1.00 H new ATOM 1244 N GLU A 79 11.179 9.990 -6.869 1.00 1.00 N ATOM 1245 CA GLU A 79 9.868 10.599 -7.083 1.00 1.00 C ATOM 1246 C GLU A 79 9.304 10.172 -8.435 1.00 1.00 C ATOM 1247 O GLU A 79 8.090 10.119 -8.623 1.00 1.00 O ATOM 1248 CB GLU A 79 9.985 12.127 -7.029 1.00 1.00 C ATOM 1249 CG GLU A 79 8.590 12.759 -7.087 1.00 1.00 C ATOM 1250 CD GLU A 79 8.687 14.277 -6.955 1.00 1.00 C ATOM 1251 OE1 GLU A 79 9.744 14.755 -6.575 1.00 1.00 O ATOM 1252 OE2 GLU A 79 7.702 14.939 -7.235 1.00 1.00 O ATOM 0 H GLU A 79 11.907 10.644 -6.582 1.00 1.00 H new ATOM 0 HA GLU A 79 9.193 10.264 -6.296 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.493 12.429 -6.113 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.590 12.484 -7.862 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.105 12.500 -8.028 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.968 12.357 -6.287 1.00 1.00 H new ATOM 1259 N ASN A 80 10.197 9.872 -9.370 1.00 1.00 N ATOM 1260 CA ASN A 80 9.774 9.451 -10.696 1.00 1.00 C ATOM 1261 C ASN A 80 8.977 8.146 -10.622 1.00 1.00 C ATOM 1262 O ASN A 80 7.923 8.027 -11.243 1.00 1.00 O ATOM 1263 CB ASN A 80 10.997 9.244 -11.591 1.00 1.00 C ATOM 1264 CG ASN A 80 10.556 8.936 -13.018 1.00 1.00 C ATOM 1265 OD1 ASN A 80 9.402 8.569 -13.247 1.00 1.00 O ATOM 1266 ND2 ASN A 80 11.409 9.066 -13.997 1.00 1.00 N ATOM 0 H ASN A 80 11.207 9.912 -9.236 1.00 1.00 H new ATOM 0 HA ASN A 80 9.138 10.231 -11.115 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.621 10.138 -11.580 1.00 1.00 H new ATOM 0 HB3 ASN A 80 11.605 8.426 -11.205 1.00 1.00 H new ATOM 0 HD21 ASN A 80 11.121 8.864 -14.954 1.00 1.00 H new ATOM 0 HD22 ASN A 80 12.364 9.370 -13.805 1.00 1.00 H new ATOM 1273 N THR A 81 9.474 7.170 -9.859 1.00 1.00 N ATOM 1274 CA THR A 81 8.782 5.894 -9.731 1.00 1.00 C ATOM 1275 C THR A 81 7.438 6.089 -9.044 1.00 1.00 C ATOM 1276 O THR A 81 6.403 5.665 -9.556 1.00 1.00 O ATOM 1277 CB THR A 81 9.654 4.922 -8.933 1.00 1.00 C ATOM 1278 OG1 THR A 81 10.866 4.716 -9.640 1.00 1.00 O ATOM 1279 CG2 THR A 81 8.942 3.579 -8.747 1.00 1.00 C ATOM 0 H THR A 81 10.342 7.240 -9.328 1.00 1.00 H new ATOM 0 HA THR A 81 8.601 5.481 -10.723 1.00 1.00 H new ATOM 0 HB THR A 81 9.851 5.346 -7.948 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.040 3.755 -9.719 1.00 1.00 H new ATOM 0 HG21 THR A 81 9.581 2.904 -8.177 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.007 3.734 -8.209 1.00 1.00 H new ATOM 0 HG23 THR A 81 8.731 3.141 -9.723 1.00 1.00 H new ATOM 1287 N PHE A 82 7.458 6.748 -7.892 1.00 1.00 N ATOM 1288 CA PHE A 82 6.231 7.003 -7.166 1.00 1.00 C ATOM 1289 C PHE A 82 5.274 7.825 -8.035 1.00 1.00 C ATOM 1290 O PHE A 82 4.091 7.512 -8.151 1.00 1.00 O ATOM 1291 CB PHE A 82 6.571 7.757 -5.852 1.00 1.00 C ATOM 1292 CG PHE A 82 5.392 8.610 -5.416 1.00 1.00 C ATOM 1293 CD1 PHE A 82 5.271 9.909 -5.914 1.00 1.00 C ATOM 1294 CD2 PHE A 82 4.415 8.088 -4.567 1.00 1.00 C ATOM 1295 CE1 PHE A 82 4.170 10.699 -5.553 1.00 1.00 C ATOM 1296 CE2 PHE A 82 3.309 8.870 -4.209 1.00 1.00 C ATOM 1297 CZ PHE A 82 3.185 10.177 -4.703 1.00 1.00 C ATOM 0 H PHE A 82 8.302 7.110 -7.449 1.00 1.00 H new ATOM 0 HA PHE A 82 5.740 6.062 -6.919 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.821 7.042 -5.068 1.00 1.00 H new ATOM 0 HB3 PHE A 82 7.449 8.386 -6.002 1.00 1.00 H new ATOM 0 HD1 PHE A 82 6.026 10.305 -6.577 1.00 1.00 H new ATOM 0 HD2 PHE A 82 4.511 7.082 -4.186 1.00 1.00 H new ATOM 0 HE1 PHE A 82 4.081 11.708 -5.929 1.00 1.00 H new ATOM 0 HE2 PHE A 82 2.552 8.467 -3.553 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.332 10.780 -4.429 1.00 1.00 H new ATOM 1307 N ALA A 83 5.793 8.888 -8.620 1.00 1.00 N ATOM 1308 CA ALA A 83 4.968 9.755 -9.446 1.00 1.00 C ATOM 1309 C ALA A 83 4.413 8.989 -10.635 1.00 1.00 C ATOM 1310 O ALA A 83 3.230 9.089 -10.954 1.00 1.00 O ATOM 1311 CB ALA A 83 5.783 10.951 -9.935 1.00 1.00 C ATOM 0 H ALA A 83 6.770 9.171 -8.542 1.00 1.00 H new ATOM 0 HA ALA A 83 4.136 10.114 -8.841 1.00 1.00 H new ATOM 0 HB1 ALA A 83 5.154 11.592 -10.552 1.00 1.00 H new ATOM 0 HB2 ALA A 83 6.148 11.517 -9.078 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.630 10.598 -10.524 1.00 1.00 H new ATOM 1317 N LYS A 84 5.275 8.222 -11.284 1.00 1.00 N ATOM 1318 CA LYS A 84 4.865 7.433 -12.441 1.00 1.00 C ATOM 1319 C LYS A 84 3.965 6.276 -12.009 1.00 1.00 C ATOM 1320 O LYS A 84 3.386 5.580 -12.840 1.00 1.00 O ATOM 1321 CB LYS A 84 6.110 6.889 -13.153 1.00 1.00 C ATOM 1322 CG LYS A 84 5.722 6.226 -14.488 1.00 1.00 C ATOM 1323 CD LYS A 84 6.978 5.918 -15.312 1.00 1.00 C ATOM 1324 CE LYS A 84 7.861 4.883 -14.592 1.00 1.00 C ATOM 1325 NZ LYS A 84 8.831 4.314 -15.562 1.00 1.00 N ATOM 0 H LYS A 84 6.259 8.127 -11.033 1.00 1.00 H new ATOM 0 HA LYS A 84 4.303 8.070 -13.123 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.816 7.700 -13.334 1.00 1.00 H new ATOM 0 HB3 LYS A 84 6.614 6.165 -12.514 1.00 1.00 H new ATOM 0 HG2 LYS A 84 5.168 5.306 -14.298 1.00 1.00 H new ATOM 0 HG3 LYS A 84 5.061 6.885 -15.051 1.00 1.00 H new ATOM 0 HD2 LYS A 84 6.691 5.539 -16.293 1.00 1.00 H new ATOM 0 HD3 LYS A 84 7.544 6.835 -15.477 1.00 1.00 H new ATOM 0 HE2 LYS A 84 8.390 5.352 -13.762 1.00 1.00 H new ATOM 0 HE3 LYS A 84 7.243 4.091 -14.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 9.431 3.613 -15.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 8.315 3.854 -16.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 9.426 5.076 -15.945 1.00 1.00 H new