USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 889 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 58 ASN : amide:sc= -0.369 X(o=0.48,f=0.36) USER MOD Set 1.2: A 102 LYS NZ :NH3+ 171:sc= 0.851 (180deg=0.727) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.45 (180deg=1.02) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0987 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -152:sc= 0 (180deg=-1.15) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= -1.66 (180deg=-1.67) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0344 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 157:sc= 0.993 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0708 USER MOD Single : A 89 SER OG : rot -18:sc= 0.729 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0139 K(o=-0.014,f=-4.6!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -171:sc=-0.00209 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.768 -0.769 1.804 1.00 0.00 N ATOM 2 CA MET A 1 11.704 0.260 0.747 1.00 0.00 C ATOM 3 C MET A 1 10.405 0.122 -0.041 1.00 0.00 C ATOM 4 O MET A 1 9.767 -0.929 -0.011 1.00 0.00 O ATOM 5 CB MET A 1 12.903 0.180 -0.201 1.00 0.00 C ATOM 6 CG MET A 1 14.213 0.577 0.484 1.00 0.00 C ATOM 7 SD MET A 1 14.797 -0.554 1.776 1.00 0.00 S ATOM 8 CE MET A 1 16.316 0.307 2.248 1.00 0.00 C ATOM 0 H1 MET A 1 12.761 -0.946 2.057 1.00 0.00 H new ATOM 0 H2 MET A 1 11.251 -0.437 2.643 1.00 0.00 H new ATOM 0 H3 MET A 1 11.337 -1.650 1.458 1.00 0.00 H new ATOM 0 HA MET A 1 11.733 1.234 1.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.991 -0.836 -0.587 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.731 0.833 -1.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.989 0.662 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.087 1.567 0.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.817 -0.248 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.976 0.381 1.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.071 1.308 2.604 1.00 0.00 H new ATOM 20 N SER A 2 10.017 1.188 -0.747 1.00 0.00 N ATOM 21 CA SER A 2 8.793 1.218 -1.537 1.00 0.00 C ATOM 22 C SER A 2 8.996 2.044 -2.804 1.00 0.00 C ATOM 23 O SER A 2 9.955 2.814 -2.907 1.00 0.00 O ATOM 24 CB SER A 2 7.653 1.816 -0.708 1.00 0.00 C ATOM 25 OG SER A 2 7.455 1.062 0.471 1.00 0.00 O ATOM 0 H SER A 2 10.550 2.057 -0.784 1.00 0.00 H new ATOM 0 HA SER A 2 8.537 0.197 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.884 2.850 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.736 1.831 -1.296 1.00 0.00 H new ATOM 0 HG SER A 2 6.725 1.456 0.992 1.00 0.00 H new ATOM 31 N ALA A 3 8.092 1.884 -3.770 1.00 0.00 N ATOM 32 CA ALA A 3 8.130 2.617 -5.028 1.00 0.00 C ATOM 33 C ALA A 3 7.670 4.062 -4.839 1.00 0.00 C ATOM 34 O ALA A 3 7.139 4.424 -3.789 1.00 0.00 O ATOM 35 CB ALA A 3 7.263 1.891 -6.057 1.00 0.00 C ATOM 0 H ALA A 3 7.308 1.236 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 3 9.158 2.654 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.287 2.435 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.647 0.882 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.236 1.838 -5.695 1.00 0.00 H new ATOM 41 N LEU A 4 7.873 4.890 -5.867 1.00 0.00 N ATOM 42 CA LEU A 4 7.509 6.297 -5.849 1.00 0.00 C ATOM 43 C LEU A 4 6.738 6.646 -7.117 1.00 0.00 C ATOM 44 O LEU A 4 7.281 7.207 -8.065 1.00 0.00 O ATOM 45 CB LEU A 4 8.751 7.179 -5.638 1.00 0.00 C ATOM 46 CG LEU A 4 9.919 6.903 -6.598 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.792 8.155 -6.659 1.00 0.00 C ATOM 48 CD2 LEU A 4 10.805 5.758 -6.114 1.00 0.00 C ATOM 0 H LEU A 4 8.301 4.592 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 4 6.849 6.495 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.457 8.224 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.103 7.045 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 4 9.498 6.635 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.629 7.982 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.199 8.995 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.172 8.383 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.616 5.600 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.221 6.007 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.211 4.848 -6.033 1.00 0.00 H new ATOM 60 N THR A 5 5.445 6.307 -7.133 1.00 0.00 N ATOM 61 CA THR A 5 4.563 6.571 -8.260 1.00 0.00 C ATOM 62 C THR A 5 4.112 8.026 -8.310 1.00 0.00 C ATOM 63 O THR A 5 3.457 8.419 -9.269 1.00 0.00 O ATOM 64 CB THR A 5 3.332 5.667 -8.189 1.00 0.00 C ATOM 65 OG1 THR A 5 3.047 5.298 -6.854 1.00 0.00 O ATOM 66 CG2 THR A 5 3.565 4.413 -9.024 1.00 0.00 C ATOM 0 H THR A 5 4.983 5.838 -6.354 1.00 0.00 H new ATOM 0 HA THR A 5 5.132 6.362 -9.166 1.00 0.00 H new ATOM 0 HB THR A 5 2.480 6.221 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.255 4.722 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.685 3.772 -8.971 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.746 4.695 -10.061 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.431 3.875 -8.638 1.00 0.00 H new ATOM 74 N GLN A 6 4.446 8.824 -7.293 1.00 0.00 N ATOM 75 CA GLN A 6 3.961 10.192 -7.207 1.00 0.00 C ATOM 76 C GLN A 6 5.085 11.193 -6.978 1.00 0.00 C ATOM 77 O GLN A 6 5.790 11.126 -5.972 1.00 0.00 O ATOM 78 CB GLN A 6 2.930 10.246 -6.089 1.00 0.00 C ATOM 79 CG GLN A 6 1.694 9.492 -6.579 1.00 0.00 C ATOM 80 CD GLN A 6 0.648 9.251 -5.501 1.00 0.00 C ATOM 81 OE1 GLN A 6 0.623 9.902 -4.462 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.227 8.291 -5.768 1.00 0.00 N ATOM 0 H GLN A 6 5.050 8.541 -6.521 1.00 0.00 H new ATOM 0 HA GLN A 6 3.508 10.477 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.323 9.791 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.680 11.279 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.238 10.054 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.006 8.532 -6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.167 7.776 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.960 8.068 -5.095 1.00 0.00 H new ATOM 91 N ILE A 7 5.240 12.118 -7.932 1.00 0.00 N ATOM 92 CA ILE A 7 6.341 13.068 -7.961 1.00 0.00 C ATOM 93 C ILE A 7 5.814 14.504 -7.931 1.00 0.00 C ATOM 94 O ILE A 7 4.916 14.850 -8.695 1.00 0.00 O ATOM 95 CB ILE A 7 7.183 12.848 -9.226 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.436 11.364 -9.549 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.514 13.588 -9.078 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.117 10.609 -8.412 1.00 0.00 C ATOM 0 H ILE A 7 4.592 12.223 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 7 6.962 12.908 -7.080 1.00 0.00 H new ATOM 0 HB ILE A 7 6.610 13.245 -10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.486 10.882 -9.779 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.054 11.294 -10.444 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.117 13.436 -9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.325 14.653 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.050 13.203 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.266 9.569 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.082 11.068 -8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.490 10.649 -7.521 1.00 0.00 H new ATOM 110 N LEU A 8 6.370 15.343 -7.051 1.00 0.00 N ATOM 111 CA LEU A 8 6.028 16.757 -6.977 1.00 0.00 C ATOM 112 C LEU A 8 6.937 17.532 -7.932 1.00 0.00 C ATOM 113 O LEU A 8 8.123 17.221 -8.041 1.00 0.00 O ATOM 114 CB LEU A 8 6.184 17.240 -5.531 1.00 0.00 C ATOM 115 CG LEU A 8 5.234 18.366 -5.106 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.622 18.813 -3.701 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.275 19.596 -6.011 1.00 0.00 C ATOM 0 H LEU A 8 7.072 15.054 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 8 4.993 16.922 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.034 16.391 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.210 17.580 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 8 4.225 17.958 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.958 19.615 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.535 17.971 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.651 19.173 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.574 20.344 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.282 20.012 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.998 19.311 -7.026 1.00 0.00 H new ATOM 129 N ILE A 9 6.398 18.536 -8.622 1.00 0.00 N ATOM 130 CA ILE A 9 7.155 19.342 -9.565 1.00 0.00 C ATOM 131 C ILE A 9 7.351 20.752 -9.012 1.00 0.00 C ATOM 132 O ILE A 9 6.411 21.354 -8.495 1.00 0.00 O ATOM 133 CB ILE A 9 6.419 19.353 -10.911 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.317 17.920 -11.449 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.149 20.244 -11.923 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.372 17.846 -12.649 1.00 0.00 C ATOM 0 H ILE A 9 5.419 18.811 -8.539 1.00 0.00 H new ATOM 0 HA ILE A 9 8.146 18.915 -9.717 1.00 0.00 H new ATOM 0 HB ILE A 9 5.418 19.758 -10.761 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.306 17.567 -11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.960 17.257 -10.661 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.609 20.237 -12.870 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.198 21.264 -11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.159 19.866 -12.078 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.320 16.818 -13.008 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.377 18.176 -12.350 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.744 18.490 -13.445 1.00 0.00 H new ATOM 148 N VAL A 10 8.572 21.277 -9.123 1.00 0.00 N ATOM 149 CA VAL A 10 8.887 22.637 -8.706 1.00 0.00 C ATOM 150 C VAL A 10 9.602 23.337 -9.855 1.00 0.00 C ATOM 151 O VAL A 10 10.648 22.872 -10.306 1.00 0.00 O ATOM 152 CB VAL A 10 9.751 22.620 -7.442 1.00 0.00 C ATOM 153 CG1 VAL A 10 9.959 24.043 -6.925 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.104 21.778 -6.338 1.00 0.00 C ATOM 0 H VAL A 10 9.369 20.768 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 10 7.973 23.180 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 10 10.711 22.177 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.575 24.017 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.458 24.639 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.993 24.490 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.741 21.786 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.129 22.195 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.980 20.753 -6.687 1.00 0.00 H new ATOM 164 N GLU A 11 9.032 24.451 -10.325 1.00 0.00 N ATOM 165 CA GLU A 11 9.492 25.122 -11.529 1.00 0.00 C ATOM 166 C GLU A 11 9.249 26.630 -11.433 1.00 0.00 C ATOM 167 O GLU A 11 8.417 27.075 -10.645 1.00 0.00 O ATOM 168 CB GLU A 11 8.745 24.492 -12.709 1.00 0.00 C ATOM 169 CG GLU A 11 9.092 25.110 -14.061 1.00 0.00 C ATOM 170 CD GLU A 11 10.595 25.135 -14.324 1.00 0.00 C ATOM 171 OE1 GLU A 11 11.113 26.255 -14.521 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.205 24.044 -14.325 1.00 0.00 O ATOM 0 H GLU A 11 8.238 24.908 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 11 10.566 24.997 -11.664 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.968 23.426 -12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.672 24.589 -12.541 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.597 24.546 -14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.702 26.127 -14.103 1.00 0.00 H new ATOM 179 N ASP A 12 9.979 27.417 -12.233 1.00 0.00 N ATOM 180 CA ASP A 12 9.895 28.876 -12.222 1.00 0.00 C ATOM 181 C ASP A 12 9.339 29.417 -13.543 1.00 0.00 C ATOM 182 O ASP A 12 8.980 30.590 -13.628 1.00 0.00 O ATOM 183 CB ASP A 12 11.295 29.426 -11.948 1.00 0.00 C ATOM 184 CG ASP A 12 11.278 30.940 -11.767 1.00 0.00 C ATOM 185 OD1 ASP A 12 11.810 31.637 -12.659 1.00 0.00 O ATOM 186 OD2 ASP A 12 10.732 31.389 -10.734 1.00 0.00 O ATOM 0 H ASP A 12 10.649 27.052 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 12 9.206 29.198 -11.442 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.702 28.957 -11.052 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.957 29.165 -12.774 1.00 0.00 H new ATOM 191 N GLU A 13 9.264 28.569 -14.573 1.00 0.00 N ATOM 192 CA GLU A 13 8.738 28.938 -15.879 1.00 0.00 C ATOM 193 C GLU A 13 7.535 28.051 -16.208 1.00 0.00 C ATOM 194 O GLU A 13 7.705 26.856 -16.448 1.00 0.00 O ATOM 195 CB GLU A 13 9.857 28.785 -16.914 1.00 0.00 C ATOM 196 CG GLU A 13 9.381 29.095 -18.335 1.00 0.00 C ATOM 197 CD GLU A 13 8.838 30.519 -18.465 1.00 0.00 C ATOM 198 OE1 GLU A 13 9.600 31.461 -18.157 1.00 0.00 O ATOM 199 OE2 GLU A 13 7.664 30.649 -18.871 1.00 0.00 O ATOM 0 H GLU A 13 9.572 27.598 -14.517 1.00 0.00 H new ATOM 0 HA GLU A 13 8.399 29.974 -15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.681 29.451 -16.656 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.246 27.767 -16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.208 28.959 -19.031 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.605 28.385 -18.619 1.00 0.00 H new ATOM 206 N PRO A 14 6.316 28.610 -16.226 1.00 0.00 N ATOM 207 CA PRO A 14 5.094 27.870 -16.502 1.00 0.00 C ATOM 208 C PRO A 14 5.119 27.102 -17.821 1.00 0.00 C ATOM 209 O PRO A 14 4.385 26.128 -17.972 1.00 0.00 O ATOM 210 CB PRO A 14 3.986 28.924 -16.515 1.00 0.00 C ATOM 211 CG PRO A 14 4.528 30.019 -15.604 1.00 0.00 C ATOM 212 CD PRO A 14 6.019 29.998 -15.926 1.00 0.00 C ATOM 0 HA PRO A 14 4.948 27.100 -15.745 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.797 29.296 -17.522 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.044 28.521 -16.142 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.078 30.988 -15.820 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.336 29.806 -14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.249 30.644 -16.774 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.610 30.355 -15.083 1.00 0.00 H new ATOM 220 N LEU A 15 5.949 27.519 -18.781 1.00 0.00 N ATOM 221 CA LEU A 15 6.048 26.830 -20.061 1.00 0.00 C ATOM 222 C LEU A 15 6.795 25.507 -19.892 1.00 0.00 C ATOM 223 O LEU A 15 6.508 24.537 -20.591 1.00 0.00 O ATOM 224 CB LEU A 15 6.750 27.750 -21.063 1.00 0.00 C ATOM 225 CG LEU A 15 6.844 27.131 -22.463 1.00 0.00 C ATOM 226 CD1 LEU A 15 5.464 26.828 -23.042 1.00 0.00 C ATOM 227 CD2 LEU A 15 7.563 28.099 -23.398 1.00 0.00 C ATOM 0 H LEU A 15 6.560 28.331 -18.692 1.00 0.00 H new ATOM 0 HA LEU A 15 5.053 26.594 -20.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.211 28.695 -21.123 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.753 27.977 -20.702 1.00 0.00 H new ATOM 0 HG LEU A 15 7.395 26.195 -22.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.574 26.391 -24.034 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.943 26.126 -22.392 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.889 27.751 -23.114 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.631 27.661 -24.394 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.007 29.035 -23.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.566 28.294 -23.019 1.00 0.00 H new ATOM 239 N ILE A 16 7.756 25.461 -18.962 1.00 0.00 N ATOM 240 CA ILE A 16 8.500 24.244 -18.684 1.00 0.00 C ATOM 241 C ILE A 16 7.680 23.360 -17.752 1.00 0.00 C ATOM 242 O ILE A 16 7.815 22.139 -17.793 1.00 0.00 O ATOM 243 CB ILE A 16 9.866 24.601 -18.071 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.687 25.498 -19.012 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.654 23.326 -17.749 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.990 24.838 -20.362 1.00 0.00 C ATOM 0 H ILE A 16 8.032 26.260 -18.391 1.00 0.00 H new ATOM 0 HA ILE A 16 8.683 23.693 -19.606 1.00 0.00 H new ATOM 0 HB ILE A 16 9.681 25.154 -17.150 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.144 26.428 -19.183 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.626 25.762 -18.525 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.618 23.594 -17.316 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.092 22.721 -17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.813 22.756 -18.664 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.572 25.523 -20.979 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.559 23.923 -20.200 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.055 24.599 -20.868 1.00 0.00 H new ATOM 258 N ALA A 17 6.828 23.964 -16.915 1.00 0.00 N ATOM 259 CA ALA A 17 5.982 23.212 -16.005 1.00 0.00 C ATOM 260 C ALA A 17 4.874 22.493 -16.773 1.00 0.00 C ATOM 261 O ALA A 17 4.415 21.435 -16.349 1.00 0.00 O ATOM 262 CB ALA A 17 5.384 24.176 -14.983 1.00 0.00 C ATOM 0 H ALA A 17 6.712 24.976 -16.856 1.00 0.00 H new ATOM 0 HA ALA A 17 6.577 22.456 -15.493 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.746 23.624 -14.293 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.187 24.661 -14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.792 24.932 -15.499 1.00 0.00 H new ATOM 268 N MET A 18 4.440 23.059 -17.904 1.00 0.00 N ATOM 269 CA MET A 18 3.422 22.439 -18.736 1.00 0.00 C ATOM 270 C MET A 18 4.041 21.300 -19.542 1.00 0.00 C ATOM 271 O MET A 18 3.387 20.294 -19.805 1.00 0.00 O ATOM 272 CB MET A 18 2.811 23.504 -19.648 1.00 0.00 C ATOM 273 CG MET A 18 1.689 22.926 -20.507 1.00 0.00 C ATOM 274 SD MET A 18 0.293 22.253 -19.568 1.00 0.00 S ATOM 275 CE MET A 18 -0.722 21.662 -20.946 1.00 0.00 C ATOM 0 H MET A 18 4.785 23.951 -18.260 1.00 0.00 H new ATOM 0 HA MET A 18 2.630 22.017 -18.117 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.423 24.324 -19.043 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.585 23.922 -20.291 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.320 23.706 -21.173 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.101 22.137 -21.137 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.635 21.211 -20.558 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.979 22.500 -21.594 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.164 20.919 -21.516 1.00 0.00 H new ATOM 285 N MET A 19 5.310 21.453 -19.935 1.00 0.00 N ATOM 286 CA MET A 19 6.015 20.410 -20.658 1.00 0.00 C ATOM 287 C MET A 19 6.404 19.282 -19.701 1.00 0.00 C ATOM 288 O MET A 19 6.598 18.144 -20.126 1.00 0.00 O ATOM 289 CB MET A 19 7.244 21.016 -21.335 1.00 0.00 C ATOM 290 CG MET A 19 7.780 20.082 -22.419 1.00 0.00 C ATOM 291 SD MET A 19 6.626 19.840 -23.797 1.00 0.00 S ATOM 292 CE MET A 19 7.605 18.713 -24.820 1.00 0.00 C ATOM 0 H MET A 19 5.863 22.292 -19.761 1.00 0.00 H new ATOM 0 HA MET A 19 5.369 19.984 -21.426 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.985 21.980 -21.774 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.020 21.202 -20.592 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.716 20.485 -22.805 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.010 19.114 -21.973 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.327 18.837 -25.867 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.665 18.937 -24.697 1.00 0.00 H new ATOM 0 HE3 MET A 19 7.414 17.685 -24.514 1.00 0.00 H new ATOM 302 N LEU A 20 6.517 19.596 -18.405 1.00 0.00 N ATOM 303 CA LEU A 20 6.830 18.609 -17.384 1.00 0.00 C ATOM 304 C LEU A 20 5.641 17.671 -17.190 1.00 0.00 C ATOM 305 O LEU A 20 5.816 16.472 -16.984 1.00 0.00 O ATOM 306 CB LEU A 20 7.135 19.338 -16.070 1.00 0.00 C ATOM 307 CG LEU A 20 8.482 18.951 -15.457 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.568 17.446 -15.207 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.617 19.423 -16.358 1.00 0.00 C ATOM 0 H LEU A 20 6.393 20.541 -18.043 1.00 0.00 H new ATOM 0 HA LEU A 20 7.695 18.021 -17.691 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.121 20.413 -16.248 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.343 19.124 -15.352 1.00 0.00 H new ATOM 0 HG LEU A 20 8.575 19.444 -14.489 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.537 17.204 -14.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.776 17.145 -14.521 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.452 16.913 -16.151 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.573 19.144 -15.915 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.521 18.956 -17.338 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.569 20.507 -16.466 1.00 0.00 H new ATOM 321 N GLU A 21 4.427 18.225 -17.257 1.00 0.00 N ATOM 322 CA GLU A 21 3.211 17.445 -17.116 1.00 0.00 C ATOM 323 C GLU A 21 2.939 16.639 -18.385 1.00 0.00 C ATOM 324 O GLU A 21 2.239 15.632 -18.334 1.00 0.00 O ATOM 325 CB GLU A 21 2.040 18.389 -16.819 1.00 0.00 C ATOM 326 CG GLU A 21 2.119 18.969 -15.402 1.00 0.00 C ATOM 327 CD GLU A 21 1.666 17.949 -14.360 1.00 0.00 C ATOM 328 OE1 GLU A 21 2.469 17.049 -14.035 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.510 18.076 -13.890 1.00 0.00 O ATOM 0 H GLU A 21 4.268 19.221 -17.410 1.00 0.00 H new ATOM 0 HA GLU A 21 3.328 16.742 -16.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.036 19.202 -17.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.100 17.850 -16.939 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.142 19.279 -15.190 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.496 19.861 -15.336 1.00 0.00 H new ATOM 336 N ASP A 22 3.488 17.068 -19.526 1.00 0.00 N ATOM 337 CA ASP A 22 3.289 16.356 -20.779 1.00 0.00 C ATOM 338 C ASP A 22 4.052 15.028 -20.770 1.00 0.00 C ATOM 339 O ASP A 22 3.513 14.006 -21.187 1.00 0.00 O ATOM 340 CB ASP A 22 3.742 17.242 -21.938 1.00 0.00 C ATOM 341 CG ASP A 22 3.444 16.580 -23.281 1.00 0.00 C ATOM 342 OD1 ASP A 22 4.397 16.051 -23.897 1.00 0.00 O ATOM 343 OD2 ASP A 22 2.258 16.605 -23.687 1.00 0.00 O ATOM 0 H ASP A 22 4.070 17.902 -19.601 1.00 0.00 H new ATOM 0 HA ASP A 22 2.231 16.126 -20.902 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.236 18.206 -21.883 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.811 17.438 -21.854 1.00 0.00 H new ATOM 348 N PHE A 23 5.300 15.025 -20.295 1.00 0.00 N ATOM 349 CA PHE A 23 6.076 13.795 -20.239 1.00 0.00 C ATOM 350 C PHE A 23 5.633 12.909 -19.078 1.00 0.00 C ATOM 351 O PHE A 23 5.813 11.692 -19.137 1.00 0.00 O ATOM 352 CB PHE A 23 7.560 14.131 -20.103 1.00 0.00 C ATOM 353 CG PHE A 23 8.214 14.589 -21.385 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.398 13.676 -22.434 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.645 15.917 -21.531 1.00 0.00 C ATOM 356 CE1 PHE A 23 9.025 14.083 -23.619 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.271 16.323 -22.718 1.00 0.00 C ATOM 358 CZ PHE A 23 9.463 15.408 -23.760 1.00 0.00 C ATOM 0 H PHE A 23 5.786 15.852 -19.949 1.00 0.00 H new ATOM 0 HA PHE A 23 5.907 13.243 -21.164 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.676 14.911 -19.351 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.087 13.251 -19.734 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.056 12.657 -22.328 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.495 16.625 -20.730 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.171 13.377 -24.423 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.606 17.344 -22.829 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.948 15.722 -24.672 1.00 0.00 H new ATOM 368 N LEU A 24 5.058 13.490 -18.022 1.00 0.00 N ATOM 369 CA LEU A 24 4.684 12.707 -16.856 1.00 0.00 C ATOM 370 C LEU A 24 3.457 11.841 -17.147 1.00 0.00 C ATOM 371 O LEU A 24 3.332 10.748 -16.596 1.00 0.00 O ATOM 372 CB LEU A 24 4.447 13.656 -15.679 1.00 0.00 C ATOM 373 CG LEU A 24 4.358 12.915 -14.338 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.697 12.268 -13.985 1.00 0.00 C ATOM 375 CD2 LEU A 24 4.009 13.906 -13.231 1.00 0.00 C ATOM 0 H LEU A 24 4.846 14.486 -17.956 1.00 0.00 H new ATOM 0 HA LEU A 24 5.492 12.022 -16.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.256 14.385 -15.635 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.525 14.213 -15.845 1.00 0.00 H new ATOM 0 HG LEU A 24 3.592 12.145 -14.428 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.610 11.749 -13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.973 11.555 -14.762 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.465 13.038 -13.910 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.946 13.380 -12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.782 14.672 -13.172 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.050 14.374 -13.451 1.00 0.00 H new ATOM 387 N GLU A 25 2.550 12.317 -18.008 1.00 0.00 N ATOM 388 CA GLU A 25 1.361 11.557 -18.371 1.00 0.00 C ATOM 389 C GLU A 25 1.639 10.587 -19.519 1.00 0.00 C ATOM 390 O GLU A 25 0.931 9.588 -19.658 1.00 0.00 O ATOM 391 CB GLU A 25 0.218 12.512 -18.723 1.00 0.00 C ATOM 392 CG GLU A 25 -0.221 13.308 -17.495 1.00 0.00 C ATOM 393 CD GLU A 25 -1.436 14.172 -17.816 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.567 13.694 -17.572 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.229 15.306 -18.304 1.00 0.00 O ATOM 0 H GLU A 25 2.622 13.227 -18.464 1.00 0.00 H new ATOM 0 HA GLU A 25 1.066 10.956 -17.511 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.538 13.195 -19.510 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.627 11.946 -19.116 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.460 12.625 -16.680 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.599 13.939 -17.153 1.00 0.00 H new ATOM 402 N VAL A 26 2.655 10.856 -20.345 1.00 0.00 N ATOM 403 CA VAL A 26 3.019 9.961 -21.441 1.00 0.00 C ATOM 404 C VAL A 26 3.778 8.743 -20.909 1.00 0.00 C ATOM 405 O VAL A 26 3.837 7.714 -21.580 1.00 0.00 O ATOM 406 CB VAL A 26 3.831 10.742 -22.483 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.477 9.823 -23.522 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.905 11.702 -23.225 1.00 0.00 C ATOM 0 H VAL A 26 3.239 11.689 -20.273 1.00 0.00 H new ATOM 0 HA VAL A 26 2.119 9.583 -21.927 1.00 0.00 H new ATOM 0 HB VAL A 26 4.618 11.272 -21.947 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.040 10.422 -24.237 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.150 9.126 -23.023 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.701 9.266 -24.047 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.477 12.259 -23.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.118 11.136 -23.724 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.457 12.397 -22.515 1.00 0.00 H new ATOM 418 N LEU A 27 4.354 8.853 -19.710 1.00 0.00 N ATOM 419 CA LEU A 27 5.081 7.757 -19.082 1.00 0.00 C ATOM 420 C LEU A 27 4.226 7.037 -18.036 1.00 0.00 C ATOM 421 O LEU A 27 4.756 6.330 -17.182 1.00 0.00 O ATOM 422 CB LEU A 27 6.409 8.265 -18.515 1.00 0.00 C ATOM 423 CG LEU A 27 7.321 8.814 -19.621 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.585 9.384 -18.996 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.727 7.723 -20.613 1.00 0.00 C ATOM 0 H LEU A 27 4.327 9.705 -19.151 1.00 0.00 H new ATOM 0 HA LEU A 27 5.312 7.009 -19.841 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.217 9.046 -17.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.917 7.454 -17.993 1.00 0.00 H new ATOM 0 HG LEU A 27 6.765 9.584 -20.155 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.234 9.774 -19.780 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.321 10.188 -18.310 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.107 8.598 -18.450 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.372 8.151 -21.380 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.264 6.934 -20.086 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.835 7.306 -21.080 1.00 0.00 H new ATOM 437 N ASP A 28 2.901 7.221 -18.104 1.00 0.00 N ATOM 438 CA ASP A 28 1.941 6.559 -17.226 1.00 0.00 C ATOM 439 C ASP A 28 2.248 6.765 -15.736 1.00 0.00 C ATOM 440 O ASP A 28 1.903 5.928 -14.901 1.00 0.00 O ATOM 441 CB ASP A 28 1.805 5.087 -17.629 1.00 0.00 C ATOM 442 CG ASP A 28 0.622 4.403 -16.946 1.00 0.00 C ATOM 443 OD1 ASP A 28 0.823 3.288 -16.412 1.00 0.00 O ATOM 444 OD2 ASP A 28 -0.477 5.002 -16.961 1.00 0.00 O ATOM 0 H ASP A 28 2.464 7.845 -18.783 1.00 0.00 H new ATOM 0 HA ASP A 28 0.968 7.031 -17.360 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.686 5.019 -18.710 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.723 4.557 -17.375 1.00 0.00 H new ATOM 449 N LYS A 29 2.899 7.880 -15.398 1.00 0.00 N ATOM 450 CA LYS A 29 3.230 8.225 -14.022 1.00 0.00 C ATOM 451 C LYS A 29 2.048 8.952 -13.379 1.00 0.00 C ATOM 452 O LYS A 29 1.222 9.530 -14.088 1.00 0.00 O ATOM 453 CB LYS A 29 4.497 9.083 -14.027 1.00 0.00 C ATOM 454 CG LYS A 29 5.610 8.502 -13.151 1.00 0.00 C ATOM 455 CD LYS A 29 5.217 8.527 -11.677 1.00 0.00 C ATOM 456 CE LYS A 29 6.421 8.200 -10.797 1.00 0.00 C ATOM 457 NZ LYS A 29 6.880 6.812 -10.999 1.00 0.00 N ATOM 0 H LYS A 29 3.212 8.571 -16.080 1.00 0.00 H new ATOM 0 HA LYS A 29 3.423 7.330 -13.431 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.860 9.181 -15.050 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.252 10.086 -13.678 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.821 7.477 -13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.527 9.073 -13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.824 9.510 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.420 7.807 -11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.235 8.889 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.158 8.348 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.709 6.630 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.116 6.153 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.138 6.674 -11.997 1.00 0.00 H new ATOM 471 N THR A 30 1.952 8.939 -12.047 1.00 0.00 N ATOM 472 CA THR A 30 0.851 9.594 -11.355 1.00 0.00 C ATOM 473 C THR A 30 1.295 10.964 -10.830 1.00 0.00 C ATOM 474 O THR A 30 2.237 11.037 -10.044 1.00 0.00 O ATOM 475 CB THR A 30 0.320 8.695 -10.232 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.086 7.458 -10.778 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.890 9.335 -9.558 1.00 0.00 C ATOM 0 H THR A 30 2.625 8.482 -11.432 1.00 0.00 H new ATOM 0 HA THR A 30 0.033 9.760 -12.056 1.00 0.00 H new ATOM 0 HB THR A 30 1.115 8.555 -9.499 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.424 6.880 -10.063 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.252 8.682 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.603 10.297 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.680 9.484 -10.294 1.00 0.00 H new ATOM 485 N PRO A 31 0.634 12.051 -11.251 1.00 0.00 N ATOM 486 CA PRO A 31 0.921 13.398 -10.787 1.00 0.00 C ATOM 487 C PRO A 31 0.293 13.642 -9.416 1.00 0.00 C ATOM 488 O PRO A 31 -0.596 12.902 -8.999 1.00 0.00 O ATOM 489 CB PRO A 31 0.295 14.313 -11.843 1.00 0.00 C ATOM 490 CG PRO A 31 -0.938 13.516 -12.266 1.00 0.00 C ATOM 491 CD PRO A 31 -0.443 12.069 -12.226 1.00 0.00 C ATOM 0 HA PRO A 31 1.990 13.576 -10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.030 15.287 -11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.971 14.493 -12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.774 13.675 -11.586 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.279 13.799 -13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.244 11.389 -11.938 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.090 11.748 -13.206 1.00 0.00 H new ATOM 499 N VAL A 32 0.754 14.683 -8.715 1.00 0.00 N ATOM 500 CA VAL A 32 0.192 15.063 -7.423 1.00 0.00 C ATOM 501 C VAL A 32 0.054 16.575 -7.284 1.00 0.00 C ATOM 502 O VAL A 32 -0.809 17.046 -6.544 1.00 0.00 O ATOM 503 CB VAL A 32 1.040 14.506 -6.274 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.000 12.984 -6.270 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.506 14.937 -6.363 1.00 0.00 C ATOM 0 H VAL A 32 1.521 15.279 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.807 14.630 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 32 0.609 14.910 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.608 12.606 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.029 12.647 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.393 12.607 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.061 14.515 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.934 14.579 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.568 16.025 -6.328 1.00 0.00 H new ATOM 515 N GLY A 33 0.889 17.347 -7.982 1.00 0.00 N ATOM 516 CA GLY A 33 0.791 18.798 -7.960 1.00 0.00 C ATOM 517 C GLY A 33 2.049 19.460 -8.513 1.00 0.00 C ATOM 518 O GLY A 33 3.045 18.793 -8.793 1.00 0.00 O ATOM 0 H GLY A 33 1.641 16.985 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.073 19.113 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.623 19.135 -6.937 1.00 0.00 H new ATOM 522 N THR A 34 1.986 20.785 -8.651 1.00 0.00 N ATOM 523 CA THR A 34 3.102 21.611 -9.087 1.00 0.00 C ATOM 524 C THR A 34 3.090 22.901 -8.272 1.00 0.00 C ATOM 525 O THR A 34 2.023 23.425 -7.953 1.00 0.00 O ATOM 526 CB THR A 34 2.987 21.917 -10.584 1.00 0.00 C ATOM 527 OG1 THR A 34 2.944 20.713 -11.318 1.00 0.00 O ATOM 528 CG2 THR A 34 4.186 22.738 -11.069 1.00 0.00 C ATOM 0 H THR A 34 1.139 21.320 -8.458 1.00 0.00 H new ATOM 0 HA THR A 34 4.042 21.083 -8.928 1.00 0.00 H new ATOM 0 HB THR A 34 2.072 22.489 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.869 20.915 -12.274 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.080 22.942 -12.135 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.227 23.680 -10.522 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.105 22.177 -10.896 1.00 0.00 H new ATOM 536 N VAL A 35 4.271 23.418 -7.926 1.00 0.00 N ATOM 537 CA VAL A 35 4.393 24.632 -7.132 1.00 0.00 C ATOM 538 C VAL A 35 5.459 25.558 -7.712 1.00 0.00 C ATOM 539 O VAL A 35 6.378 25.110 -8.394 1.00 0.00 O ATOM 540 CB VAL A 35 4.676 24.298 -5.659 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.478 23.580 -5.037 1.00 0.00 C ATOM 542 CG2 VAL A 35 5.913 23.417 -5.504 1.00 0.00 C ATOM 0 H VAL A 35 5.165 23.004 -8.190 1.00 0.00 H new ATOM 0 HA VAL A 35 3.441 25.162 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 35 4.855 25.243 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.693 23.350 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.599 24.223 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.286 22.655 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.078 23.204 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.764 22.482 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.782 23.935 -5.910 1.00 0.00 H new ATOM 552 N ASP A 36 5.323 26.857 -7.430 1.00 0.00 N ATOM 553 CA ASP A 36 6.215 27.886 -7.950 1.00 0.00 C ATOM 554 C ASP A 36 7.128 28.444 -6.859 1.00 0.00 C ATOM 555 O ASP A 36 7.833 29.429 -7.082 1.00 0.00 O ATOM 556 CB ASP A 36 5.387 28.999 -8.598 1.00 0.00 C ATOM 557 CG ASP A 36 4.488 28.457 -9.707 1.00 0.00 C ATOM 558 OD1 ASP A 36 4.980 28.351 -10.852 1.00 0.00 O ATOM 559 OD2 ASP A 36 3.311 28.156 -9.405 1.00 0.00 O ATOM 0 H ASP A 36 4.584 27.222 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 36 6.861 27.436 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.776 29.487 -7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.054 29.758 -9.007 1.00 0.00 H new ATOM 564 N THR A 37 7.122 27.820 -5.677 1.00 0.00 N ATOM 565 CA THR A 37 7.951 28.242 -4.558 1.00 0.00 C ATOM 566 C THR A 37 8.300 27.043 -3.680 1.00 0.00 C ATOM 567 O THR A 37 7.612 26.019 -3.703 1.00 0.00 O ATOM 568 CB THR A 37 7.230 29.328 -3.751 1.00 0.00 C ATOM 569 OG1 THR A 37 8.043 29.727 -2.669 1.00 0.00 O ATOM 570 CG2 THR A 37 5.894 28.831 -3.199 1.00 0.00 C ATOM 0 H THR A 37 6.539 27.008 -5.475 1.00 0.00 H new ATOM 0 HA THR A 37 8.881 28.663 -4.939 1.00 0.00 H new ATOM 0 HB THR A 37 7.038 30.165 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.584 30.422 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.414 29.630 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.248 28.532 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.066 27.976 -2.545 1.00 0.00 H new ATOM 578 N VAL A 38 9.375 27.172 -2.897 1.00 0.00 N ATOM 579 CA VAL A 38 9.865 26.099 -2.040 1.00 0.00 C ATOM 580 C VAL A 38 8.937 25.881 -0.847 1.00 0.00 C ATOM 581 O VAL A 38 8.925 24.799 -0.261 1.00 0.00 O ATOM 582 CB VAL A 38 11.290 26.415 -1.572 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.217 26.550 -2.782 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.346 27.713 -0.767 1.00 0.00 C ATOM 0 H VAL A 38 9.928 28.027 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 38 9.881 25.174 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 38 11.613 25.593 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.228 26.775 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.222 25.615 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.862 27.356 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.372 27.903 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.997 28.540 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.708 27.623 0.113 1.00 0.00 H new ATOM 594 N ALA A 39 8.153 26.902 -0.479 1.00 0.00 N ATOM 595 CA ALA A 39 7.232 26.796 0.640 1.00 0.00 C ATOM 596 C ALA A 39 6.060 25.877 0.291 1.00 0.00 C ATOM 597 O ALA A 39 5.456 25.282 1.181 1.00 0.00 O ATOM 598 CB ALA A 39 6.740 28.196 1.005 1.00 0.00 C ATOM 0 H ALA A 39 8.144 27.809 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 39 7.744 26.358 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.047 28.131 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.590 28.819 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.231 28.638 0.148 1.00 0.00 H new ATOM 604 N GLY A 40 5.741 25.760 -1.000 1.00 0.00 N ATOM 605 CA GLY A 40 4.672 24.887 -1.456 1.00 0.00 C ATOM 606 C GLY A 40 5.130 23.431 -1.482 1.00 0.00 C ATOM 607 O GLY A 40 4.303 22.523 -1.447 1.00 0.00 O ATOM 0 H GLY A 40 6.215 26.266 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.809 24.989 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.351 25.189 -2.453 1.00 0.00 H new ATOM 611 N ALA A 41 6.444 23.204 -1.541 1.00 0.00 N ATOM 612 CA ALA A 41 6.987 21.857 -1.552 1.00 0.00 C ATOM 613 C ALA A 41 7.011 21.279 -0.140 1.00 0.00 C ATOM 614 O ALA A 41 6.862 20.072 0.031 1.00 0.00 O ATOM 615 CB ALA A 41 8.386 21.889 -2.172 1.00 0.00 C ATOM 0 H ALA A 41 7.147 23.942 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 41 6.353 21.207 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.802 20.881 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.323 22.268 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.031 22.540 -1.582 1.00 0.00 H new ATOM 621 N LEU A 42 7.197 22.127 0.877 1.00 0.00 N ATOM 622 CA LEU A 42 7.180 21.674 2.260 1.00 0.00 C ATOM 623 C LEU A 42 5.750 21.555 2.778 1.00 0.00 C ATOM 624 O LEU A 42 5.497 20.802 3.717 1.00 0.00 O ATOM 625 CB LEU A 42 7.977 22.654 3.126 1.00 0.00 C ATOM 626 CG LEU A 42 9.475 22.650 2.800 1.00 0.00 C ATOM 627 CD1 LEU A 42 10.168 23.700 3.663 1.00 0.00 C ATOM 628 CD2 LEU A 42 10.092 21.280 3.087 1.00 0.00 C ATOM 0 H LEU A 42 7.360 23.127 0.763 1.00 0.00 H new ATOM 0 HA LEU A 42 7.638 20.686 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.582 23.660 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.838 22.400 4.177 1.00 0.00 H new ATOM 0 HG LEU A 42 9.606 22.874 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.235 23.707 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.746 24.682 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.019 23.462 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.155 21.302 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.962 21.036 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.599 20.524 2.476 1.00 0.00 H new ATOM 640 N ALA A 43 4.809 22.287 2.177 1.00 0.00 N ATOM 641 CA ALA A 43 3.421 22.257 2.616 1.00 0.00 C ATOM 642 C ALA A 43 2.683 21.045 2.055 1.00 0.00 C ATOM 643 O ALA A 43 1.760 20.537 2.692 1.00 0.00 O ATOM 644 CB ALA A 43 2.740 23.560 2.187 1.00 0.00 C ATOM 0 H ALA A 43 4.988 22.906 1.386 1.00 0.00 H new ATOM 0 HA ALA A 43 3.392 22.169 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.699 23.550 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.253 24.406 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.782 23.652 1.102 1.00 0.00 H new ATOM 650 N ARG A 44 3.078 20.571 0.870 1.00 0.00 N ATOM 651 CA ARG A 44 2.438 19.423 0.244 1.00 0.00 C ATOM 652 C ARG A 44 3.064 18.105 0.691 1.00 0.00 C ATOM 653 O ARG A 44 2.376 17.089 0.718 1.00 0.00 O ATOM 654 CB ARG A 44 2.510 19.569 -1.276 1.00 0.00 C ATOM 655 CG ARG A 44 1.623 20.717 -1.754 1.00 0.00 C ATOM 656 CD ARG A 44 1.736 20.849 -3.273 1.00 0.00 C ATOM 657 NE ARG A 44 0.857 21.911 -3.779 1.00 0.00 N ATOM 658 CZ ARG A 44 -0.393 21.720 -4.217 1.00 0.00 C ATOM 659 NH1 ARG A 44 -0.938 20.505 -4.211 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.105 22.749 -4.663 1.00 0.00 N ATOM 0 H ARG A 44 3.843 20.971 0.327 1.00 0.00 H new ATOM 0 HA ARG A 44 1.395 19.399 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.541 19.749 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.196 18.639 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.587 20.533 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.924 21.648 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.769 21.067 -3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.475 19.901 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 44 1.225 22.862 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.402 19.707 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.892 20.372 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.699 23.685 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.058 22.603 -4.997 1.00 0.00 H new ATOM 674 N VAL A 45 4.355 18.105 1.041 1.00 0.00 N ATOM 675 CA VAL A 45 5.033 16.884 1.455 1.00 0.00 C ATOM 676 C VAL A 45 4.785 16.585 2.930 1.00 0.00 C ATOM 677 O VAL A 45 4.792 15.423 3.329 1.00 0.00 O ATOM 678 CB VAL A 45 6.528 16.992 1.135 1.00 0.00 C ATOM 679 CG1 VAL A 45 7.297 15.792 1.684 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.730 17.021 -0.381 1.00 0.00 C ATOM 0 H VAL A 45 4.945 18.937 1.044 1.00 0.00 H new ATOM 0 HA VAL A 45 4.623 16.043 0.896 1.00 0.00 H new ATOM 0 HB VAL A 45 6.899 17.907 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.355 15.896 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.175 15.746 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.911 14.876 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.794 17.098 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.332 16.105 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.208 17.881 -0.801 1.00 0.00 H new ATOM 690 N GLU A 46 4.561 17.612 3.756 1.00 0.00 N ATOM 691 CA GLU A 46 4.295 17.403 5.173 1.00 0.00 C ATOM 692 C GLU A 46 2.856 16.929 5.390 1.00 0.00 C ATOM 693 O GLU A 46 2.516 16.437 6.463 1.00 0.00 O ATOM 694 CB GLU A 46 4.618 18.687 5.942 1.00 0.00 C ATOM 695 CG GLU A 46 4.539 18.466 7.452 1.00 0.00 C ATOM 696 CD GLU A 46 5.152 19.645 8.204 1.00 0.00 C ATOM 697 OE1 GLU A 46 6.377 19.585 8.460 1.00 0.00 O ATOM 698 OE2 GLU A 46 4.397 20.591 8.513 1.00 0.00 O ATOM 0 H GLU A 46 4.560 18.590 3.465 1.00 0.00 H new ATOM 0 HA GLU A 46 4.938 16.612 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.617 19.032 5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.921 19.473 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.499 18.339 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.062 17.547 7.718 1.00 0.00 H new ATOM 705 N ASP A 47 2.010 17.074 4.365 1.00 0.00 N ATOM 706 CA ASP A 47 0.630 16.606 4.393 1.00 0.00 C ATOM 707 C ASP A 47 0.543 15.154 3.907 1.00 0.00 C ATOM 708 O ASP A 47 -0.491 14.509 4.069 1.00 0.00 O ATOM 709 CB ASP A 47 -0.226 17.540 3.534 1.00 0.00 C ATOM 710 CG ASP A 47 -1.710 17.197 3.645 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.237 17.273 4.779 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.311 16.864 2.597 1.00 0.00 O ATOM 0 H ASP A 47 2.271 17.524 3.488 1.00 0.00 H new ATOM 0 HA ASP A 47 0.253 16.624 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.065 18.572 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.088 17.469 2.493 1.00 0.00 H new ATOM 717 N GLY A 48 1.626 14.648 3.310 1.00 0.00 N ATOM 718 CA GLY A 48 1.677 13.302 2.764 1.00 0.00 C ATOM 719 C GLY A 48 1.037 13.232 1.379 1.00 0.00 C ATOM 720 O GLY A 48 0.672 14.258 0.801 1.00 0.00 O ATOM 0 H GLY A 48 2.495 15.170 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.714 12.973 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.164 12.616 3.438 1.00 0.00 H new ATOM 724 N GLY A 49 0.899 12.016 0.842 1.00 0.00 N ATOM 725 CA GLY A 49 0.319 11.812 -0.477 1.00 0.00 C ATOM 726 C GLY A 49 1.330 12.055 -1.596 1.00 0.00 C ATOM 727 O GLY A 49 0.939 12.225 -2.749 1.00 0.00 O ATOM 0 H GLY A 49 1.185 11.156 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.064 10.794 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.531 12.482 -0.606 1.00 0.00 H new ATOM 731 N ILE A 50 2.627 12.074 -1.266 1.00 0.00 N ATOM 732 CA ILE A 50 3.708 12.269 -2.226 1.00 0.00 C ATOM 733 C ILE A 50 4.854 11.320 -1.876 1.00 0.00 C ATOM 734 O ILE A 50 5.071 11.033 -0.699 1.00 0.00 O ATOM 735 CB ILE A 50 4.166 13.734 -2.217 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.967 14.645 -2.514 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.280 13.945 -3.248 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.360 16.115 -2.635 1.00 0.00 C ATOM 0 H ILE A 50 2.955 11.952 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 50 3.361 12.043 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 50 4.564 13.986 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.492 14.323 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.227 14.535 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.597 14.988 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.128 13.304 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.909 13.693 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.473 16.713 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.810 16.450 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.078 16.234 -3.446 1.00 0.00 H new ATOM 750 N ASP A 51 5.591 10.833 -2.881 1.00 0.00 N ATOM 751 CA ASP A 51 6.674 9.882 -2.659 1.00 0.00 C ATOM 752 C ASP A 51 8.039 10.469 -3.028 1.00 0.00 C ATOM 753 O ASP A 51 9.056 9.973 -2.546 1.00 0.00 O ATOM 754 CB ASP A 51 6.409 8.615 -3.467 1.00 0.00 C ATOM 755 CG ASP A 51 5.104 7.928 -3.061 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.915 7.709 -1.845 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.309 7.630 -3.978 1.00 0.00 O ATOM 0 H ASP A 51 5.452 11.087 -3.859 1.00 0.00 H new ATOM 0 HA ASP A 51 6.703 9.645 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.371 8.865 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.239 7.921 -3.333 1.00 0.00 H new ATOM 762 N ALA A 52 8.076 11.510 -3.866 1.00 0.00 N ATOM 763 CA ALA A 52 9.318 12.166 -4.259 1.00 0.00 C ATOM 764 C ALA A 52 9.031 13.543 -4.857 1.00 0.00 C ATOM 765 O ALA A 52 7.872 13.901 -5.069 1.00 0.00 O ATOM 766 CB ALA A 52 10.027 11.290 -5.290 1.00 0.00 C ATOM 0 H ALA A 52 7.243 11.919 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 52 9.951 12.301 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.958 11.767 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.245 10.316 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.384 11.161 -6.161 1.00 0.00 H new ATOM 772 N ALA A 53 10.079 14.324 -5.135 1.00 0.00 N ATOM 773 CA ALA A 53 9.916 15.631 -5.755 1.00 0.00 C ATOM 774 C ALA A 53 11.095 15.982 -6.666 1.00 0.00 C ATOM 775 O ALA A 53 12.154 15.361 -6.591 1.00 0.00 O ATOM 776 CB ALA A 53 9.753 16.691 -4.664 1.00 0.00 C ATOM 0 H ALA A 53 11.047 14.069 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 53 9.024 15.603 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.631 17.671 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.874 16.461 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.638 16.697 -4.027 1.00 0.00 H new ATOM 782 N ILE A 54 10.903 16.987 -7.522 1.00 0.00 N ATOM 783 CA ILE A 54 11.932 17.495 -8.421 1.00 0.00 C ATOM 784 C ILE A 54 12.068 18.997 -8.204 1.00 0.00 C ATOM 785 O ILE A 54 11.058 19.703 -8.150 1.00 0.00 O ATOM 786 CB ILE A 54 11.574 17.174 -9.877 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.471 15.654 -10.059 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.633 17.769 -10.812 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.073 15.266 -11.483 1.00 0.00 C ATOM 0 H ILE A 54 10.012 17.477 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 54 12.887 17.014 -8.207 1.00 0.00 H new ATOM 0 HB ILE A 54 10.609 17.616 -10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.429 15.195 -9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.738 15.255 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.376 17.539 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.670 18.850 -10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.608 17.341 -10.577 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.013 14.180 -11.561 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.102 15.701 -11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.819 15.640 -12.184 1.00 0.00 H new ATOM 801 N LEU A 55 13.304 19.489 -8.080 1.00 0.00 N ATOM 802 CA LEU A 55 13.564 20.891 -7.781 1.00 0.00 C ATOM 803 C LEU A 55 14.263 21.580 -8.952 1.00 0.00 C ATOM 804 O LEU A 55 15.272 21.089 -9.457 1.00 0.00 O ATOM 805 CB LEU A 55 14.444 21.002 -6.522 1.00 0.00 C ATOM 806 CG LEU A 55 13.720 20.830 -5.177 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.718 21.960 -4.954 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.986 19.496 -5.057 1.00 0.00 C ATOM 0 H LEU A 55 14.147 18.925 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 55 12.608 21.385 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.232 20.252 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.931 21.977 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 55 14.500 20.855 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.217 21.818 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.242 22.916 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.978 21.954 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.496 19.437 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.238 19.420 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.700 18.678 -5.154 1.00 0.00 H new ATOM 820 N ASP A 56 13.725 22.724 -9.380 1.00 0.00 N ATOM 821 CA ASP A 56 14.402 23.593 -10.332 1.00 0.00 C ATOM 822 C ASP A 56 15.419 24.445 -9.577 1.00 0.00 C ATOM 823 O ASP A 56 15.081 25.061 -8.567 1.00 0.00 O ATOM 824 CB ASP A 56 13.378 24.472 -11.053 1.00 0.00 C ATOM 825 CG ASP A 56 14.046 25.533 -11.921 1.00 0.00 C ATOM 826 OD1 ASP A 56 13.486 26.648 -12.013 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.118 25.236 -12.496 1.00 0.00 O ATOM 0 H ASP A 56 12.814 23.068 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 56 14.921 22.998 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.737 23.847 -11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.735 24.957 -10.318 1.00 0.00 H new ATOM 832 N VAL A 57 16.663 24.488 -10.062 1.00 0.00 N ATOM 833 CA VAL A 57 17.732 25.235 -9.403 1.00 0.00 C ATOM 834 C VAL A 57 17.881 26.626 -10.029 1.00 0.00 C ATOM 835 O VAL A 57 18.580 27.484 -9.491 1.00 0.00 O ATOM 836 CB VAL A 57 19.033 24.420 -9.421 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.082 25.033 -8.493 1.00 0.00 C ATOM 838 CG2 VAL A 57 18.763 22.996 -8.931 1.00 0.00 C ATOM 0 H VAL A 57 16.953 24.010 -10.915 1.00 0.00 H new ATOM 0 HA VAL A 57 17.476 25.397 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 57 19.402 24.419 -10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.992 24.434 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.304 26.050 -8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.698 25.053 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.691 22.424 -8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.374 23.029 -7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.032 22.519 -9.584 1.00 0.00 H new ATOM 848 N ASN A 58 17.226 26.853 -11.169 1.00 0.00 N ATOM 849 CA ASN A 58 17.220 28.138 -11.856 1.00 0.00 C ATOM 850 C ASN A 58 16.100 29.032 -11.311 1.00 0.00 C ATOM 851 O ASN A 58 15.657 29.965 -11.982 1.00 0.00 O ATOM 852 CB ASN A 58 17.115 27.893 -13.366 1.00 0.00 C ATOM 853 CG ASN A 58 17.287 29.165 -14.185 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.360 29.613 -14.854 1.00 0.00 O ATOM 855 ND2 ASN A 58 18.478 29.753 -14.138 1.00 0.00 N ATOM 0 H ASN A 58 16.678 26.136 -11.645 1.00 0.00 H new ATOM 0 HA ASN A 58 18.150 28.675 -11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.873 27.169 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.145 27.450 -13.591 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.646 30.607 -14.670 1.00 0.00 H new ATOM 0 HD22 ASN A 58 19.224 29.350 -13.570 1.00 0.00 H new ATOM 862 N LEU A 59 15.638 28.746 -10.090 1.00 0.00 N ATOM 863 CA LEU A 59 14.561 29.479 -9.439 1.00 0.00 C ATOM 864 C LEU A 59 14.904 30.965 -9.313 1.00 0.00 C ATOM 865 O LEU A 59 16.073 31.337 -9.203 1.00 0.00 O ATOM 866 CB LEU A 59 14.312 28.834 -8.071 1.00 0.00 C ATOM 867 CG LEU A 59 13.144 29.444 -7.292 1.00 0.00 C ATOM 868 CD1 LEU A 59 11.830 29.314 -8.060 1.00 0.00 C ATOM 869 CD2 LEU A 59 12.997 28.710 -5.962 1.00 0.00 C ATOM 0 H LEU A 59 16.011 27.986 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 59 13.652 29.426 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.123 27.770 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.218 28.920 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 59 13.356 30.502 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.023 29.758 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.914 29.831 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.614 28.260 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.167 29.138 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.802 27.654 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.917 28.813 -5.386 1.00 0.00 H new ATOM 881 N ARG A 60 13.877 31.816 -9.328 1.00 0.00 N ATOM 882 CA ARG A 60 14.040 33.260 -9.230 1.00 0.00 C ATOM 883 C ARG A 60 14.609 33.666 -7.873 1.00 0.00 C ATOM 884 O ARG A 60 14.409 32.972 -6.877 1.00 0.00 O ATOM 885 CB ARG A 60 12.698 33.943 -9.512 1.00 0.00 C ATOM 886 CG ARG A 60 11.651 33.569 -8.462 1.00 0.00 C ATOM 887 CD ARG A 60 10.280 34.118 -8.855 1.00 0.00 C ATOM 888 NE ARG A 60 9.268 33.769 -7.852 1.00 0.00 N ATOM 889 CZ ARG A 60 8.737 32.550 -7.716 1.00 0.00 C ATOM 890 NH1 ARG A 60 9.067 31.552 -8.531 1.00 0.00 N ATOM 891 NH2 ARG A 60 7.855 32.315 -6.750 1.00 0.00 N ATOM 0 H ARG A 60 12.905 31.517 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 60 14.762 33.588 -9.978 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.834 35.024 -9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.342 33.656 -10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.600 32.485 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.944 33.966 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.335 35.202 -8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.988 33.718 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 60 8.950 34.503 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.740 31.708 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.647 30.631 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.584 33.065 -6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.449 31.385 -6.645 1.00 0.00 H new ATOM 905 N GLY A 61 15.319 34.795 -7.839 1.00 0.00 N ATOM 906 CA GLY A 61 15.947 35.282 -6.617 1.00 0.00 C ATOM 907 C GLY A 61 17.273 34.577 -6.336 1.00 0.00 C ATOM 908 O GLY A 61 17.819 34.704 -5.241 1.00 0.00 O ATOM 0 H GLY A 61 15.472 35.391 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.117 36.355 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.270 35.130 -5.776 1.00 0.00 H new ATOM 912 N GLY A 62 17.799 33.834 -7.316 1.00 0.00 N ATOM 913 CA GLY A 62 19.041 33.090 -7.170 1.00 0.00 C ATOM 914 C GLY A 62 18.798 31.699 -6.592 1.00 0.00 C ATOM 915 O GLY A 62 17.656 31.297 -6.368 1.00 0.00 O ATOM 0 H GLY A 62 17.368 33.736 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.529 33.001 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.721 33.641 -6.521 1.00 0.00 H new ATOM 919 N GLU A 63 19.878 30.957 -6.346 1.00 0.00 N ATOM 920 CA GLU A 63 19.788 29.594 -5.845 1.00 0.00 C ATOM 921 C GLU A 63 19.281 29.595 -4.403 1.00 0.00 C ATOM 922 O GLU A 63 19.938 30.125 -3.507 1.00 0.00 O ATOM 923 CB GLU A 63 21.162 28.920 -5.925 1.00 0.00 C ATOM 924 CG GLU A 63 21.633 28.800 -7.374 1.00 0.00 C ATOM 925 CD GLU A 63 23.014 28.156 -7.442 1.00 0.00 C ATOM 926 OE1 GLU A 63 23.078 26.909 -7.375 1.00 0.00 O ATOM 927 OE2 GLU A 63 24.002 28.916 -7.562 1.00 0.00 O ATOM 0 H GLU A 63 20.833 31.286 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 63 19.083 29.034 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 63 21.887 29.496 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 63 21.111 27.930 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.920 28.205 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.664 29.788 -7.834 1.00 0.00 H new ATOM 934 N LYS A 64 18.107 28.993 -4.187 1.00 0.00 N ATOM 935 CA LYS A 64 17.503 28.873 -2.866 1.00 0.00 C ATOM 936 C LYS A 64 16.612 27.633 -2.778 1.00 0.00 C ATOM 937 O LYS A 64 15.865 27.476 -1.816 1.00 0.00 O ATOM 938 CB LYS A 64 16.715 30.148 -2.540 1.00 0.00 C ATOM 939 CG LYS A 64 15.513 30.321 -3.473 1.00 0.00 C ATOM 940 CD LYS A 64 14.788 31.629 -3.151 1.00 0.00 C ATOM 941 CE LYS A 64 13.558 31.756 -4.046 1.00 0.00 C ATOM 942 NZ LYS A 64 12.842 33.018 -3.785 1.00 0.00 N ATOM 0 H LYS A 64 17.550 28.574 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 64 18.295 28.754 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.372 30.110 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.371 31.014 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.845 30.325 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.830 29.479 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.492 31.646 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.455 32.476 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.860 31.715 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.890 30.912 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.010 33.080 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.535 33.044 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.475 33.822 -3.973 1.00 0.00 H new ATOM 956 N SER A 65 16.693 26.755 -3.781 1.00 0.00 N ATOM 957 CA SER A 65 15.860 25.562 -3.873 1.00 0.00 C ATOM 958 C SER A 65 16.634 24.288 -3.536 1.00 0.00 C ATOM 959 O SER A 65 16.083 23.194 -3.635 1.00 0.00 O ATOM 960 CB SER A 65 15.252 25.479 -5.272 1.00 0.00 C ATOM 961 OG SER A 65 16.287 25.459 -6.227 1.00 0.00 O ATOM 0 H SER A 65 17.346 26.857 -4.558 1.00 0.00 H new ATOM 0 HA SER A 65 15.064 25.644 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.640 24.582 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.596 26.331 -5.447 1.00 0.00 H new ATOM 0 HG SER A 65 15.959 25.052 -7.056 1.00 0.00 H new ATOM 967 N THR A 66 17.904 24.417 -3.139 1.00 0.00 N ATOM 968 CA THR A 66 18.697 23.269 -2.725 1.00 0.00 C ATOM 969 C THR A 66 18.653 23.049 -1.204 1.00 0.00 C ATOM 970 O THR A 66 18.731 21.896 -0.782 1.00 0.00 O ATOM 971 CB THR A 66 20.135 23.389 -3.238 1.00 0.00 C ATOM 972 OG1 THR A 66 20.729 24.584 -2.785 1.00 0.00 O ATOM 973 CG2 THR A 66 20.145 23.383 -4.765 1.00 0.00 C ATOM 0 H THR A 66 18.399 25.308 -3.098 1.00 0.00 H new ATOM 0 HA THR A 66 18.250 22.384 -3.177 1.00 0.00 H new ATOM 0 HB THR A 66 20.702 22.540 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.647 24.641 -3.122 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.171 23.469 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.711 22.451 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.560 24.225 -5.136 1.00 0.00 H new ATOM 981 N PRO A 67 18.530 24.089 -0.358 1.00 0.00 N ATOM 982 CA PRO A 67 18.408 23.897 1.080 1.00 0.00 C ATOM 983 C PRO A 67 17.116 23.171 1.450 1.00 0.00 C ATOM 984 O PRO A 67 17.045 22.531 2.497 1.00 0.00 O ATOM 985 CB PRO A 67 18.417 25.303 1.688 1.00 0.00 C ATOM 986 CG PRO A 67 19.035 26.180 0.600 1.00 0.00 C ATOM 987 CD PRO A 67 18.531 25.506 -0.668 1.00 0.00 C ATOM 0 HA PRO A 67 19.223 23.278 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.410 25.634 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.003 25.336 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.703 27.216 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 67 20.124 26.190 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.532 25.854 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.179 25.725 -1.517 1.00 0.00 H new ATOM 995 N VAL A 68 16.092 23.267 0.594 1.00 0.00 N ATOM 996 CA VAL A 68 14.815 22.603 0.828 1.00 0.00 C ATOM 997 C VAL A 68 14.866 21.156 0.353 1.00 0.00 C ATOM 998 O VAL A 68 14.104 20.323 0.837 1.00 0.00 O ATOM 999 CB VAL A 68 13.688 23.394 0.151 1.00 0.00 C ATOM 1000 CG1 VAL A 68 13.845 23.415 -1.365 1.00 0.00 C ATOM 1001 CG2 VAL A 68 12.321 22.808 0.500 1.00 0.00 C ATOM 0 H VAL A 68 16.129 23.804 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 68 14.610 22.578 1.898 1.00 0.00 H new ATOM 0 HB VAL A 68 13.754 24.415 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.028 23.985 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.795 23.881 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.824 22.394 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.540 23.387 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.272 21.773 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.174 22.845 1.579 1.00 0.00 H new ATOM 1011 N ALA A 69 15.762 20.841 -0.587 1.00 0.00 N ATOM 1012 CA ALA A 69 15.905 19.479 -1.059 1.00 0.00 C ATOM 1013 C ALA A 69 16.548 18.630 0.033 1.00 0.00 C ATOM 1014 O ALA A 69 16.233 17.451 0.178 1.00 0.00 O ATOM 1015 CB ALA A 69 16.762 19.473 -2.325 1.00 0.00 C ATOM 0 H ALA A 69 16.391 21.512 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 69 14.927 19.059 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.873 18.450 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.280 20.077 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.745 19.887 -2.101 1.00 0.00 H new ATOM 1021 N GLU A 70 17.451 19.226 0.813 1.00 0.00 N ATOM 1022 CA GLU A 70 18.096 18.529 1.911 1.00 0.00 C ATOM 1023 C GLU A 70 17.120 18.344 3.075 1.00 0.00 C ATOM 1024 O GLU A 70 17.348 17.510 3.948 1.00 0.00 O ATOM 1025 CB GLU A 70 19.345 19.301 2.333 1.00 0.00 C ATOM 1026 CG GLU A 70 20.375 19.267 1.203 1.00 0.00 C ATOM 1027 CD GLU A 70 21.611 20.087 1.567 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.351 19.647 2.477 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.822 21.145 0.937 1.00 0.00 O ATOM 0 H GLU A 70 17.749 20.195 0.698 1.00 0.00 H new ATOM 0 HA GLU A 70 18.401 17.534 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.084 20.332 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.768 18.863 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.665 18.236 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.930 19.659 0.288 1.00 0.00 H new ATOM 1036 N ALA A 71 16.026 19.112 3.095 1.00 0.00 N ATOM 1037 CA ALA A 71 14.987 18.928 4.093 1.00 0.00 C ATOM 1038 C ALA A 71 14.126 17.721 3.714 1.00 0.00 C ATOM 1039 O ALA A 71 13.588 17.050 4.593 1.00 0.00 O ATOM 1040 CB ALA A 71 14.153 20.203 4.202 1.00 0.00 C ATOM 0 H ALA A 71 15.844 19.863 2.430 1.00 0.00 H new ATOM 0 HA ALA A 71 15.431 18.733 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.373 20.065 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.795 21.034 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.695 20.422 3.237 1.00 0.00 H new ATOM 1046 N LEU A 72 13.994 17.434 2.414 1.00 0.00 N ATOM 1047 CA LEU A 72 13.302 16.233 1.970 1.00 0.00 C ATOM 1048 C LEU A 72 14.148 15.012 2.323 1.00 0.00 C ATOM 1049 O LEU A 72 13.600 13.948 2.598 1.00 0.00 O ATOM 1050 CB LEU A 72 13.049 16.292 0.459 1.00 0.00 C ATOM 1051 CG LEU A 72 12.145 17.457 0.046 1.00 0.00 C ATOM 1052 CD1 LEU A 72 12.003 17.459 -1.476 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.757 17.328 0.663 1.00 0.00 C ATOM 0 H LEU A 72 14.357 18.017 1.660 1.00 0.00 H new ATOM 0 HA LEU A 72 12.337 16.162 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 72 14.004 16.379 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.595 15.355 0.136 1.00 0.00 H new ATOM 0 HG LEU A 72 12.598 18.383 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.361 18.285 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.986 17.576 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.561 16.517 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.140 18.170 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.296 16.398 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.841 17.323 1.750 1.00 0.00 H new ATOM 1065 N ALA A 73 15.478 15.160 2.326 1.00 0.00 N ATOM 1066 CA ALA A 73 16.371 14.083 2.719 1.00 0.00 C ATOM 1067 C ALA A 73 16.292 13.849 4.225 1.00 0.00 C ATOM 1068 O ALA A 73 16.595 12.754 4.696 1.00 0.00 O ATOM 1069 CB ALA A 73 17.794 14.430 2.286 1.00 0.00 C ATOM 0 H ALA A 73 15.953 16.022 2.058 1.00 0.00 H new ATOM 0 HA ALA A 73 16.070 13.158 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.469 13.626 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.825 14.555 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.105 15.357 2.767 1.00 0.00 H new ATOM 1075 N ALA A 74 15.881 14.867 4.990 1.00 0.00 N ATOM 1076 CA ALA A 74 15.653 14.730 6.421 1.00 0.00 C ATOM 1077 C ALA A 74 14.283 14.105 6.687 1.00 0.00 C ATOM 1078 O ALA A 74 14.005 13.671 7.805 1.00 0.00 O ATOM 1079 CB ALA A 74 15.787 16.102 7.082 1.00 0.00 C ATOM 0 H ALA A 74 15.699 15.804 4.629 1.00 0.00 H new ATOM 0 HA ALA A 74 16.399 14.063 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.617 16.007 8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.789 16.494 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.051 16.784 6.657 1.00 0.00 H new ATOM 1085 N ARG A 75 13.426 14.056 5.660 1.00 0.00 N ATOM 1086 CA ARG A 75 12.133 13.383 5.713 1.00 0.00 C ATOM 1087 C ARG A 75 12.187 12.035 4.995 1.00 0.00 C ATOM 1088 O ARG A 75 11.147 11.431 4.743 1.00 0.00 O ATOM 1089 CB ARG A 75 11.042 14.288 5.126 1.00 0.00 C ATOM 1090 CG ARG A 75 10.857 15.580 5.929 1.00 0.00 C ATOM 1091 CD ARG A 75 10.380 15.291 7.351 1.00 0.00 C ATOM 1092 NE ARG A 75 10.134 16.537 8.089 1.00 0.00 N ATOM 1093 CZ ARG A 75 8.993 17.232 8.041 1.00 0.00 C ATOM 1094 NH1 ARG A 75 7.966 16.822 7.297 1.00 0.00 N ATOM 1095 NH2 ARG A 75 8.866 18.353 8.742 1.00 0.00 N ATOM 0 H ARG A 75 13.619 14.491 4.758 1.00 0.00 H new ATOM 0 HA ARG A 75 11.886 13.184 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.297 14.537 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.098 13.743 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.800 16.126 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.135 16.223 5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.466 14.698 7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.128 14.696 7.875 1.00 0.00 H new ATOM 0 HE ARG A 75 10.885 16.896 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.042 15.964 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.104 17.366 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.640 18.685 9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.995 18.882 8.704 1.00 0.00 H new ATOM 1109 N ASP A 76 13.394 11.562 4.668 1.00 0.00 N ATOM 1110 CA ASP A 76 13.616 10.298 3.970 1.00 0.00 C ATOM 1111 C ASP A 76 12.913 10.221 2.612 1.00 0.00 C ATOM 1112 O ASP A 76 12.482 9.147 2.194 1.00 0.00 O ATOM 1113 CB ASP A 76 13.281 9.115 4.882 1.00 0.00 C ATOM 1114 CG ASP A 76 14.076 9.167 6.184 1.00 0.00 C ATOM 1115 OD1 ASP A 76 13.457 9.461 7.231 1.00 0.00 O ATOM 1116 OD2 ASP A 76 15.300 8.912 6.122 1.00 0.00 O ATOM 0 H ASP A 76 14.258 12.058 4.886 1.00 0.00 H new ATOM 0 HA ASP A 76 14.678 10.244 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.214 9.118 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.495 8.181 4.361 1.00 0.00 H new ATOM 1121 N ILE A 77 12.798 11.358 1.917 1.00 0.00 N ATOM 1122 CA ILE A 77 12.188 11.444 0.595 1.00 0.00 C ATOM 1123 C ILE A 77 13.253 11.840 -0.434 1.00 0.00 C ATOM 1124 O ILE A 77 13.974 12.818 -0.228 1.00 0.00 O ATOM 1125 CB ILE A 77 11.022 12.441 0.637 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.892 11.836 1.483 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.520 12.758 -0.772 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.741 12.817 1.694 1.00 0.00 C ATOM 0 H ILE A 77 13.133 12.256 2.267 1.00 0.00 H new ATOM 0 HA ILE A 77 11.785 10.476 0.296 1.00 0.00 H new ATOM 0 HB ILE A 77 11.362 13.376 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.516 10.937 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.289 11.530 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.694 13.467 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.330 13.193 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.178 11.841 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.966 12.344 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.109 13.705 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.325 13.103 0.728 1.00 0.00 H new ATOM 1140 N PRO A 78 13.360 11.097 -1.544 1.00 0.00 N ATOM 1141 CA PRO A 78 14.346 11.337 -2.584 1.00 0.00 C ATOM 1142 C PRO A 78 13.960 12.503 -3.496 1.00 0.00 C ATOM 1143 O PRO A 78 12.794 12.886 -3.585 1.00 0.00 O ATOM 1144 CB PRO A 78 14.405 10.029 -3.371 1.00 0.00 C ATOM 1145 CG PRO A 78 12.964 9.526 -3.277 1.00 0.00 C ATOM 1146 CD PRO A 78 12.553 9.935 -1.863 1.00 0.00 C ATOM 0 HA PRO A 78 15.309 11.617 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.713 10.190 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.111 9.323 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.326 9.985 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.902 8.447 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.490 10.171 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.731 9.127 -1.154 1.00 0.00 H new ATOM 1154 N PHE A 79 14.962 13.063 -4.180 1.00 0.00 N ATOM 1155 CA PHE A 79 14.776 14.165 -5.109 1.00 0.00 C ATOM 1156 C PHE A 79 15.873 14.168 -6.171 1.00 0.00 C ATOM 1157 O PHE A 79 16.862 13.446 -6.048 1.00 0.00 O ATOM 1158 CB PHE A 79 14.797 15.488 -4.336 1.00 0.00 C ATOM 1159 CG PHE A 79 16.128 15.785 -3.678 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.321 15.488 -2.322 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.169 16.367 -4.420 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.549 15.772 -1.709 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.399 16.642 -3.809 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.585 16.351 -2.451 1.00 0.00 C ATOM 0 H PHE A 79 15.931 12.756 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 79 13.815 14.045 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.549 16.301 -5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.020 15.465 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.523 15.040 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.021 16.603 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.696 15.544 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.203 17.078 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.529 16.574 -1.976 1.00 0.00 H new ATOM 1174 N VAL A 80 15.691 14.986 -7.210 1.00 0.00 N ATOM 1175 CA VAL A 80 16.690 15.220 -8.251 1.00 0.00 C ATOM 1176 C VAL A 80 16.634 16.687 -8.672 1.00 0.00 C ATOM 1177 O VAL A 80 15.629 17.356 -8.440 1.00 0.00 O ATOM 1178 CB VAL A 80 16.464 14.304 -9.460 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.730 12.844 -9.100 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.042 14.423 -10.002 1.00 0.00 C ATOM 0 H VAL A 80 14.829 15.513 -7.353 1.00 0.00 H new ATOM 0 HA VAL A 80 17.677 14.989 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 80 17.165 14.627 -10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.562 12.217 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.762 12.734 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.056 12.538 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.922 13.759 -10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.331 14.144 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.856 15.451 -10.312 1.00 0.00 H new ATOM 1190 N PHE A 81 17.704 17.194 -9.286 1.00 0.00 N ATOM 1191 CA PHE A 81 17.757 18.589 -9.707 1.00 0.00 C ATOM 1192 C PHE A 81 17.447 18.744 -11.192 1.00 0.00 C ATOM 1193 O PHE A 81 17.620 17.811 -11.975 1.00 0.00 O ATOM 1194 CB PHE A 81 19.130 19.198 -9.414 1.00 0.00 C ATOM 1195 CG PHE A 81 19.579 19.165 -7.966 1.00 0.00 C ATOM 1196 CD1 PHE A 81 20.857 18.678 -7.647 1.00 0.00 C ATOM 1197 CD2 PHE A 81 18.732 19.627 -6.945 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.286 18.646 -6.314 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.165 19.596 -5.611 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.440 19.106 -5.294 1.00 0.00 C ATOM 0 H PHE A 81 18.544 16.657 -9.501 1.00 0.00 H new ATOM 0 HA PHE A 81 16.995 19.119 -9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 81 19.873 18.674 -10.016 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.123 20.236 -9.748 1.00 0.00 H new ATOM 0 HD1 PHE A 81 21.511 18.327 -8.432 1.00 0.00 H new ATOM 0 HD2 PHE A 81 17.750 20.005 -7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.268 18.267 -6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.514 19.951 -4.826 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.770 19.083 -4.266 1.00 0.00 H new ATOM 1210 N ALA A 82 16.990 19.935 -11.580 1.00 0.00 N ATOM 1211 CA ALA A 82 16.807 20.293 -12.973 1.00 0.00 C ATOM 1212 C ALA A 82 17.314 21.716 -13.186 1.00 0.00 C ATOM 1213 O ALA A 82 16.808 22.653 -12.570 1.00 0.00 O ATOM 1214 CB ALA A 82 15.333 20.157 -13.351 1.00 0.00 C ATOM 0 H ALA A 82 16.737 20.677 -10.928 1.00 0.00 H new ATOM 0 HA ALA A 82 17.376 19.623 -13.617 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.200 20.427 -14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.012 19.127 -13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.735 20.820 -12.726 1.00 0.00 H new ATOM 1220 N THR A 83 18.313 21.881 -14.056 1.00 0.00 N ATOM 1221 CA THR A 83 18.899 23.187 -14.347 1.00 0.00 C ATOM 1222 C THR A 83 19.888 23.086 -15.506 1.00 0.00 C ATOM 1223 O THR A 83 20.422 22.011 -15.779 1.00 0.00 O ATOM 1224 CB THR A 83 19.624 23.710 -13.099 1.00 0.00 C ATOM 1225 OG1 THR A 83 20.101 25.020 -13.323 1.00 0.00 O ATOM 1226 CG2 THR A 83 20.800 22.819 -12.695 1.00 0.00 C ATOM 0 H THR A 83 18.736 21.113 -14.577 1.00 0.00 H new ATOM 0 HA THR A 83 18.101 23.875 -14.628 1.00 0.00 H new ATOM 0 HB THR A 83 18.896 23.705 -12.287 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.560 25.343 -12.519 1.00 0.00 H new ATOM 0 HG21 THR A 83 21.280 23.231 -11.807 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.438 21.814 -12.478 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.521 22.776 -13.511 1.00 0.00 H new ATOM 1234 N GLY A 84 20.136 24.205 -16.195 1.00 0.00 N ATOM 1235 CA GLY A 84 21.161 24.270 -17.226 1.00 0.00 C ATOM 1236 C GLY A 84 22.505 24.628 -16.594 1.00 0.00 C ATOM 1237 O GLY A 84 22.557 25.420 -15.654 1.00 0.00 O ATOM 0 H GLY A 84 19.633 25.081 -16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.234 23.312 -17.741 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.891 25.014 -17.975 1.00 0.00 H new ATOM 1241 N GLY A 85 23.597 24.050 -17.104 1.00 0.00 N ATOM 1242 CA GLY A 85 24.923 24.300 -16.560 1.00 0.00 C ATOM 1243 C GLY A 85 25.923 23.228 -16.982 1.00 0.00 C ATOM 1244 O GLY A 85 25.723 22.538 -17.983 1.00 0.00 O ATOM 0 H GLY A 85 23.582 23.405 -17.894 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.274 25.276 -16.895 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.868 24.337 -15.472 1.00 0.00 H new ATOM 1248 N SER A 86 27.001 23.099 -16.208 1.00 0.00 N ATOM 1249 CA SER A 86 28.067 22.135 -16.453 1.00 0.00 C ATOM 1250 C SER A 86 28.494 21.479 -15.138 1.00 0.00 C ATOM 1251 O SER A 86 28.079 21.904 -14.062 1.00 0.00 O ATOM 1252 CB SER A 86 29.240 22.854 -17.118 1.00 0.00 C ATOM 1253 OG SER A 86 30.244 21.928 -17.474 1.00 0.00 O ATOM 0 H SER A 86 27.158 23.673 -15.379 1.00 0.00 H new ATOM 0 HA SER A 86 27.713 21.346 -17.117 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.894 23.385 -18.005 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.650 23.602 -16.439 1.00 0.00 H new ATOM 0 HG SER A 86 30.989 22.401 -17.901 1.00 0.00 H new ATOM 1259 N ASP A 87 29.328 20.441 -15.216 1.00 0.00 N ATOM 1260 CA ASP A 87 29.792 19.720 -14.038 1.00 0.00 C ATOM 1261 C ASP A 87 30.713 20.590 -13.181 1.00 0.00 C ATOM 1262 O ASP A 87 30.994 20.254 -12.033 1.00 0.00 O ATOM 1263 CB ASP A 87 30.503 18.445 -14.492 1.00 0.00 C ATOM 1264 CG ASP A 87 30.945 17.594 -13.304 1.00 0.00 C ATOM 1265 OD1 ASP A 87 32.171 17.379 -13.166 1.00 0.00 O ATOM 1266 OD2 ASP A 87 30.053 17.164 -12.539 1.00 0.00 O ATOM 0 H ASP A 87 29.698 20.080 -16.096 1.00 0.00 H new ATOM 0 HA ASP A 87 28.937 19.458 -13.415 1.00 0.00 H new ATOM 0 HB2 ASP A 87 29.837 17.863 -15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 31.372 18.708 -15.095 1.00 0.00 H new ATOM 1271 N ASP A 88 31.183 21.714 -13.733 1.00 0.00 N ATOM 1272 CA ASP A 88 32.082 22.629 -13.038 1.00 0.00 C ATOM 1273 C ASP A 88 31.307 23.769 -12.365 1.00 0.00 C ATOM 1274 O ASP A 88 31.911 24.675 -11.789 1.00 0.00 O ATOM 1275 CB ASP A 88 33.123 23.145 -14.037 1.00 0.00 C ATOM 1276 CG ASP A 88 34.228 23.943 -13.348 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.435 25.111 -13.751 1.00 0.00 O ATOM 1278 OD2 ASP A 88 34.858 23.381 -12.423 1.00 0.00 O ATOM 0 H ASP A 88 30.947 22.012 -14.679 1.00 0.00 H new ATOM 0 HA ASP A 88 32.597 22.102 -12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.563 22.302 -14.571 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.632 23.772 -14.781 1.00 0.00 H new ATOM 1283 N SER A 89 29.972 23.735 -12.435 1.00 0.00 N ATOM 1284 CA SER A 89 29.123 24.770 -11.855 1.00 0.00 C ATOM 1285 C SER A 89 28.075 24.184 -10.909 1.00 0.00 C ATOM 1286 O SER A 89 27.064 24.831 -10.629 1.00 0.00 O ATOM 1287 CB SER A 89 28.493 25.613 -12.963 1.00 0.00 C ATOM 1288 OG SER A 89 27.619 24.829 -13.752 1.00 0.00 O ATOM 0 H SER A 89 29.454 22.987 -12.896 1.00 0.00 H new ATOM 0 HA SER A 89 29.747 25.424 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.946 26.448 -12.525 1.00 0.00 H new ATOM 0 HB3 SER A 89 29.275 26.039 -13.592 1.00 0.00 H new ATOM 0 HG SER A 89 27.820 23.879 -13.618 1.00 0.00 H new ATOM 1294 N VAL A 90 28.308 22.963 -10.416 1.00 0.00 N ATOM 1295 CA VAL A 90 27.390 22.270 -9.522 1.00 0.00 C ATOM 1296 C VAL A 90 28.113 21.683 -8.311 1.00 0.00 C ATOM 1297 O VAL A 90 29.310 21.403 -8.369 1.00 0.00 O ATOM 1298 CB VAL A 90 26.617 21.177 -10.265 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.617 21.772 -11.257 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.557 20.208 -10.982 1.00 0.00 C ATOM 0 H VAL A 90 29.149 22.428 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 90 26.678 23.010 -9.158 1.00 0.00 H new ATOM 0 HB VAL A 90 26.062 20.618 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 90 25.087 20.967 -11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.902 22.397 -10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 90 26.149 22.377 -11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.971 19.447 -11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 90 28.160 20.755 -11.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 28.212 19.730 -10.253 1.00 0.00 H new ATOM 1310 N ASP A 91 27.369 21.502 -7.215 1.00 0.00 N ATOM 1311 CA ASP A 91 27.897 20.981 -5.960 1.00 0.00 C ATOM 1312 C ASP A 91 27.981 19.450 -5.985 1.00 0.00 C ATOM 1313 O ASP A 91 27.481 18.799 -6.903 1.00 0.00 O ATOM 1314 CB ASP A 91 27.011 21.489 -4.819 1.00 0.00 C ATOM 1315 CG ASP A 91 27.573 21.145 -3.441 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.812 21.222 -3.279 1.00 0.00 O ATOM 1317 OD2 ASP A 91 26.753 20.802 -2.562 1.00 0.00 O ATOM 0 H ASP A 91 26.373 21.717 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 91 28.916 21.337 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 91 26.901 22.570 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 91 26.014 21.059 -4.919 1.00 0.00 H new ATOM 1322 N SER A 92 28.622 18.861 -4.971 1.00 0.00 N ATOM 1323 CA SER A 92 28.851 17.422 -4.906 1.00 0.00 C ATOM 1324 C SER A 92 27.554 16.616 -4.882 1.00 0.00 C ATOM 1325 O SER A 92 27.568 15.435 -5.229 1.00 0.00 O ATOM 1326 CB SER A 92 29.690 17.107 -3.671 1.00 0.00 C ATOM 1327 OG SER A 92 29.003 17.502 -2.502 1.00 0.00 O ATOM 0 H SER A 92 28.996 19.373 -4.172 1.00 0.00 H new ATOM 0 HA SER A 92 29.381 17.129 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.906 16.039 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 92 30.648 17.624 -3.731 1.00 0.00 H new ATOM 0 HG SER A 92 29.549 17.294 -1.715 1.00 0.00 H new ATOM 1333 N ARG A 93 26.428 17.222 -4.483 1.00 0.00 N ATOM 1334 CA ARG A 93 25.153 16.510 -4.473 1.00 0.00 C ATOM 1335 C ARG A 93 24.610 16.350 -5.887 1.00 0.00 C ATOM 1336 O ARG A 93 23.795 15.467 -6.130 1.00 0.00 O ATOM 1337 CB ARG A 93 24.142 17.225 -3.577 1.00 0.00 C ATOM 1338 CG ARG A 93 24.271 16.776 -2.121 1.00 0.00 C ATOM 1339 CD ARG A 93 25.549 17.273 -1.439 1.00 0.00 C ATOM 1340 NE ARG A 93 25.501 18.724 -1.234 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.820 19.319 -0.252 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.174 18.597 0.663 1.00 0.00 N ATOM 1343 NH2 ARG A 93 24.783 20.644 -0.187 1.00 0.00 N ATOM 0 H ARG A 93 26.378 18.191 -4.168 1.00 0.00 H new ATOM 0 HA ARG A 93 25.323 15.514 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 93 24.294 18.302 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 93 23.132 17.024 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 93 23.407 17.134 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 93 24.248 15.687 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 93 25.674 16.770 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 93 26.415 17.016 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 93 26.020 19.316 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.196 17.578 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.657 19.063 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.273 21.203 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.264 21.104 0.561 1.00 0.00 H new ATOM 1357 N PHE A 94 25.057 17.189 -6.822 1.00 0.00 N ATOM 1358 CA PHE A 94 24.682 17.065 -8.221 1.00 0.00 C ATOM 1359 C PHE A 94 25.551 15.993 -8.868 1.00 0.00 C ATOM 1360 O PHE A 94 25.177 15.401 -9.877 1.00 0.00 O ATOM 1361 CB PHE A 94 24.921 18.396 -8.930 1.00 0.00 C ATOM 1362 CG PHE A 94 24.130 19.578 -8.413 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.211 20.217 -9.257 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.321 20.051 -7.107 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.483 21.324 -8.799 1.00 0.00 C ATOM 1366 CE2 PHE A 94 23.592 21.160 -6.648 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.674 21.797 -7.493 1.00 0.00 C ATOM 0 H PHE A 94 25.686 17.968 -6.627 1.00 0.00 H new ATOM 0 HA PHE A 94 23.629 16.794 -8.300 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.982 18.636 -8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.693 18.267 -9.988 1.00 0.00 H new ATOM 0 HD1 PHE A 94 23.063 19.855 -10.264 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.029 19.562 -6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.775 21.812 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 94 23.739 21.523 -5.641 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.115 22.650 -7.139 1.00 0.00 H new ATOM 1377 N ARG A 95 26.723 15.749 -8.271 1.00 0.00 N ATOM 1378 CA ARG A 95 27.655 14.731 -8.723 1.00 0.00 C ATOM 1379 C ARG A 95 27.352 13.377 -8.080 1.00 0.00 C ATOM 1380 O ARG A 95 27.943 12.370 -8.461 1.00 0.00 O ATOM 1381 CB ARG A 95 29.079 15.191 -8.412 1.00 0.00 C ATOM 1382 CG ARG A 95 29.351 16.567 -9.025 1.00 0.00 C ATOM 1383 CD ARG A 95 30.796 16.981 -8.743 1.00 0.00 C ATOM 1384 NE ARG A 95 31.120 18.264 -9.376 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.934 19.183 -8.846 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.519 18.984 -7.667 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.171 20.314 -9.504 1.00 0.00 N ATOM 0 H ARG A 95 27.047 16.263 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 95 27.549 14.597 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.225 15.233 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.794 14.466 -8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.174 16.538 -10.100 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.664 17.303 -8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.951 17.056 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.475 16.211 -9.110 1.00 0.00 H new ATOM 0 HE ARG A 95 30.696 18.469 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.349 18.120 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.137 19.696 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.732 20.478 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.791 21.017 -9.103 1.00 0.00 H new ATOM 1401 N ASP A 96 26.433 13.351 -7.109 1.00 0.00 N ATOM 1402 CA ASP A 96 26.042 12.131 -6.412 1.00 0.00 C ATOM 1403 C ASP A 96 24.551 11.819 -6.588 1.00 0.00 C ATOM 1404 O ASP A 96 24.081 10.783 -6.123 1.00 0.00 O ATOM 1405 CB ASP A 96 26.424 12.268 -4.935 1.00 0.00 C ATOM 1406 CG ASP A 96 26.230 10.961 -4.167 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.855 9.955 -4.568 1.00 0.00 O ATOM 1408 OD2 ASP A 96 25.455 10.982 -3.183 1.00 0.00 O ATOM 0 H ASP A 96 25.939 14.183 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 96 26.574 11.285 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.465 12.582 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 96 25.820 13.051 -4.476 1.00 0.00 H new ATOM 1413 N ARG A 97 23.802 12.706 -7.258 1.00 0.00 N ATOM 1414 CA ARG A 97 22.380 12.515 -7.524 1.00 0.00 C ATOM 1415 C ARG A 97 22.067 13.007 -8.940 1.00 0.00 C ATOM 1416 O ARG A 97 22.616 14.026 -9.350 1.00 0.00 O ATOM 1417 CB ARG A 97 21.579 13.284 -6.466 1.00 0.00 C ATOM 1418 CG ARG A 97 20.089 12.937 -6.472 1.00 0.00 C ATOM 1419 CD ARG A 97 19.847 11.491 -6.031 1.00 0.00 C ATOM 1420 NE ARG A 97 18.429 11.143 -6.162 1.00 0.00 N ATOM 1421 CZ ARG A 97 17.962 9.894 -6.237 1.00 0.00 C ATOM 1422 NH1 ARG A 97 18.787 8.853 -6.158 1.00 0.00 N ATOM 1423 NH2 ARG A 97 16.658 9.682 -6.388 1.00 0.00 N ATOM 0 H ARG A 97 24.174 13.580 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 97 22.106 11.462 -7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 97 21.992 13.070 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.697 14.354 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 97 19.554 13.615 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 97 19.684 13.086 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.451 10.815 -6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.165 11.362 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 97 17.753 11.906 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.789 9.004 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.418 7.904 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.016 10.473 -6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.300 8.729 -6.445 1.00 0.00 H new ATOM 1437 N PRO A 98 21.200 12.311 -9.696 1.00 0.00 N ATOM 1438 CA PRO A 98 20.878 12.652 -11.075 1.00 0.00 C ATOM 1439 C PRO A 98 20.437 14.100 -11.279 1.00 0.00 C ATOM 1440 O PRO A 98 19.851 14.723 -10.391 1.00 0.00 O ATOM 1441 CB PRO A 98 19.774 11.680 -11.493 1.00 0.00 C ATOM 1442 CG PRO A 98 20.037 10.466 -10.609 1.00 0.00 C ATOM 1443 CD PRO A 98 20.494 11.109 -9.302 1.00 0.00 C ATOM 0 HA PRO A 98 21.775 12.563 -11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.782 12.097 -11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.836 11.430 -12.552 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.141 9.860 -10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.802 9.814 -11.031 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.645 11.344 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.143 10.438 -8.739 1.00 0.00 H new ATOM 1451 N VAL A 99 20.730 14.622 -12.472 1.00 0.00 N ATOM 1452 CA VAL A 99 20.397 15.979 -12.884 1.00 0.00 C ATOM 1453 C VAL A 99 20.002 15.984 -14.359 1.00 0.00 C ATOM 1454 O VAL A 99 20.421 15.111 -15.118 1.00 0.00 O ATOM 1455 CB VAL A 99 21.570 16.940 -12.642 1.00 0.00 C ATOM 1456 CG1 VAL A 99 21.999 16.915 -11.175 1.00 0.00 C ATOM 1457 CG2 VAL A 99 22.781 16.586 -13.506 1.00 0.00 C ATOM 0 H VAL A 99 21.219 14.094 -13.195 1.00 0.00 H new ATOM 0 HA VAL A 99 19.557 16.325 -12.282 1.00 0.00 H new ATOM 0 HB VAL A 99 21.218 17.936 -12.912 1.00 0.00 H new ATOM 0 HG11 VAL A 99 22.831 17.603 -11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.162 17.218 -10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.310 15.906 -10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.589 17.289 -13.305 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.113 15.575 -13.270 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.505 16.641 -14.559 1.00 0.00 H new ATOM 1467 N LEU A 100 19.197 16.967 -14.769 1.00 0.00 N ATOM 1468 CA LEU A 100 18.775 17.110 -16.154 1.00 0.00 C ATOM 1469 C LEU A 100 18.610 18.590 -16.503 1.00 0.00 C ATOM 1470 O LEU A 100 18.376 19.415 -15.621 1.00 0.00 O ATOM 1471 CB LEU A 100 17.465 16.334 -16.350 1.00 0.00 C ATOM 1472 CG LEU A 100 17.004 16.265 -17.810 1.00 0.00 C ATOM 1473 CD1 LEU A 100 18.025 15.539 -18.685 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.682 15.505 -17.882 1.00 0.00 C ATOM 0 H LEU A 100 18.823 17.683 -14.146 1.00 0.00 H new ATOM 0 HA LEU A 100 19.530 16.701 -16.825 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.593 15.320 -15.970 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.683 16.802 -15.753 1.00 0.00 H new ATOM 0 HG LEU A 100 16.891 17.285 -18.176 1.00 0.00 H new ATOM 0 HD11 LEU A 100 17.666 15.508 -19.714 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.977 16.068 -18.648 1.00 0.00 H new ATOM 0 HD13 LEU A 100 18.161 14.522 -18.318 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.349 15.452 -18.918 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.821 14.496 -17.494 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.931 16.023 -17.285 1.00 0.00 H new ATOM 1486 N GLN A 101 18.728 18.935 -17.787 1.00 0.00 N ATOM 1487 CA GLN A 101 18.523 20.303 -18.243 1.00 0.00 C ATOM 1488 C GLN A 101 17.032 20.636 -18.208 1.00 0.00 C ATOM 1489 O GLN A 101 16.196 19.736 -18.231 1.00 0.00 O ATOM 1490 CB GLN A 101 19.107 20.499 -19.648 1.00 0.00 C ATOM 1491 CG GLN A 101 20.635 20.366 -19.663 1.00 0.00 C ATOM 1492 CD GLN A 101 21.126 18.922 -19.572 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.374 17.976 -19.795 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.399 18.736 -19.240 1.00 0.00 N ATOM 0 H GLN A 101 18.966 18.278 -18.530 1.00 0.00 H new ATOM 0 HA GLN A 101 19.046 20.987 -17.575 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.673 19.764 -20.326 1.00 0.00 H new ATOM 0 HB3 GLN A 101 18.826 21.483 -20.023 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.021 20.815 -20.578 1.00 0.00 H new ATOM 0 HG3 GLN A 101 21.049 20.934 -18.830 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.002 19.539 -19.060 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.774 17.790 -19.165 1.00 0.00 H new ATOM 1503 N LYS A 102 16.686 21.928 -18.153 1.00 0.00 N ATOM 1504 CA LYS A 102 15.291 22.335 -18.038 1.00 0.00 C ATOM 1505 C LYS A 102 14.463 21.981 -19.276 1.00 0.00 C ATOM 1506 O LYS A 102 13.347 21.493 -19.107 1.00 0.00 O ATOM 1507 CB LYS A 102 15.189 23.825 -17.706 1.00 0.00 C ATOM 1508 CG LYS A 102 15.886 24.104 -16.372 1.00 0.00 C ATOM 1509 CD LYS A 102 15.557 25.501 -15.840 1.00 0.00 C ATOM 1510 CE LYS A 102 14.062 25.619 -15.549 1.00 0.00 C ATOM 1511 NZ LYS A 102 13.743 26.878 -14.849 1.00 0.00 N ATOM 0 H LYS A 102 17.352 22.700 -18.186 1.00 0.00 H new ATOM 0 HA LYS A 102 14.862 21.765 -17.214 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.648 24.416 -18.498 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.142 24.124 -17.650 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.583 23.356 -15.640 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.964 24.008 -16.498 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.128 25.695 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.853 26.255 -16.570 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.504 25.570 -16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.741 24.773 -14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.711 26.998 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.132 26.847 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.161 27.678 -15.365 1.00 0.00 H new ATOM 1525 N PRO A 103 14.947 22.197 -20.507 1.00 0.00 N ATOM 1526 CA PRO A 103 14.254 21.704 -21.685 1.00 0.00 C ATOM 1527 C PRO A 103 14.356 20.181 -21.717 1.00 0.00 C ATOM 1528 O PRO A 103 15.450 19.625 -21.603 1.00 0.00 O ATOM 1529 CB PRO A 103 14.952 22.359 -22.877 1.00 0.00 C ATOM 1530 CG PRO A 103 16.372 22.591 -22.365 1.00 0.00 C ATOM 1531 CD PRO A 103 16.160 22.909 -20.885 1.00 0.00 C ATOM 0 HA PRO A 103 13.192 21.948 -21.696 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.941 21.713 -23.755 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.469 23.294 -23.163 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.999 21.710 -22.502 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.860 23.414 -22.888 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.010 22.582 -20.287 1.00 0.00 H new ATOM 0 HD3 PRO A 103 16.052 23.982 -20.725 1.00 0.00 H new ATOM 1539 N PHE A 104 13.215 19.506 -21.871 1.00 0.00 N ATOM 1540 CA PHE A 104 13.150 18.052 -21.844 1.00 0.00 C ATOM 1541 C PHE A 104 13.088 17.472 -23.254 1.00 0.00 C ATOM 1542 O PHE A 104 12.629 18.127 -24.188 1.00 0.00 O ATOM 1543 CB PHE A 104 11.948 17.603 -21.007 1.00 0.00 C ATOM 1544 CG PHE A 104 12.134 17.627 -19.501 1.00 0.00 C ATOM 1545 CD1 PHE A 104 13.246 18.251 -18.906 1.00 0.00 C ATOM 1546 CD2 PHE A 104 11.176 17.006 -18.684 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.398 18.246 -17.512 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.335 16.994 -17.294 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.444 17.616 -16.706 1.00 0.00 C ATOM 0 H PHE A 104 12.312 19.957 -22.018 1.00 0.00 H new ATOM 0 HA PHE A 104 14.061 17.672 -21.382 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.099 18.239 -21.258 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.684 16.588 -21.304 1.00 0.00 H new ATOM 0 HD1 PHE A 104 13.986 18.736 -19.526 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.312 16.535 -19.130 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.252 18.729 -17.060 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.600 16.504 -16.672 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.562 17.609 -15.633 1.00 0.00 H new ATOM 1559 N THR A 105 13.555 16.229 -23.389 1.00 0.00 N ATOM 1560 CA THR A 105 13.544 15.476 -24.636 1.00 0.00 C ATOM 1561 C THR A 105 13.211 14.022 -24.326 1.00 0.00 C ATOM 1562 O THR A 105 13.324 13.589 -23.179 1.00 0.00 O ATOM 1563 CB THR A 105 14.905 15.558 -25.339 1.00 0.00 C ATOM 1564 OG1 THR A 105 15.901 14.994 -24.512 1.00 0.00 O ATOM 1565 CG2 THR A 105 15.275 17.005 -25.670 1.00 0.00 C ATOM 0 H THR A 105 13.961 15.709 -22.611 1.00 0.00 H new ATOM 0 HA THR A 105 12.794 15.902 -25.303 1.00 0.00 H new ATOM 0 HB THR A 105 14.837 15.001 -26.274 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.769 15.046 -24.964 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.245 17.028 -26.167 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.519 17.432 -26.329 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.325 17.587 -24.750 1.00 0.00 H new ATOM 1573 N MET A 106 12.802 13.256 -25.341 1.00 0.00 N ATOM 1574 CA MET A 106 12.401 11.874 -25.132 1.00 0.00 C ATOM 1575 C MET A 106 13.578 11.029 -24.643 1.00 0.00 C ATOM 1576 O MET A 106 13.368 10.026 -23.961 1.00 0.00 O ATOM 1577 CB MET A 106 11.841 11.297 -26.435 1.00 0.00 C ATOM 1578 CG MET A 106 10.507 11.939 -26.820 1.00 0.00 C ATOM 1579 SD MET A 106 10.581 13.684 -27.317 1.00 0.00 S ATOM 1580 CE MET A 106 8.818 13.980 -27.591 1.00 0.00 C ATOM 0 H MET A 106 12.742 13.573 -26.309 1.00 0.00 H new ATOM 0 HA MET A 106 11.628 11.850 -24.364 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.562 11.450 -27.238 1.00 0.00 H new ATOM 0 HB3 MET A 106 11.707 10.221 -26.327 1.00 0.00 H new ATOM 0 HG2 MET A 106 10.073 11.366 -27.639 1.00 0.00 H new ATOM 0 HG3 MET A 106 9.826 11.851 -25.974 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.667 15.013 -27.906 1.00 0.00 H new ATOM 0 HE2 MET A 106 8.452 13.307 -28.366 1.00 0.00 H new ATOM 0 HE3 MET A 106 8.271 13.799 -26.666 1.00 0.00 H new ATOM 1590 N ASP A 107 14.811 11.418 -24.981 1.00 0.00 N ATOM 1591 CA ASP A 107 15.999 10.701 -24.544 1.00 0.00 C ATOM 1592 C ASP A 107 16.441 11.143 -23.151 1.00 0.00 C ATOM 1593 O ASP A 107 16.881 10.316 -22.351 1.00 0.00 O ATOM 1594 CB ASP A 107 17.119 10.913 -25.561 1.00 0.00 C ATOM 1595 CG ASP A 107 16.734 10.379 -26.936 1.00 0.00 C ATOM 1596 OD1 ASP A 107 16.381 11.212 -27.801 1.00 0.00 O ATOM 1597 OD2 ASP A 107 16.798 9.143 -27.115 1.00 0.00 O ATOM 0 H ASP A 107 15.007 12.234 -25.561 1.00 0.00 H new ATOM 0 HA ASP A 107 15.761 9.639 -24.482 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.349 11.976 -25.634 1.00 0.00 H new ATOM 0 HB3 ASP A 107 18.024 10.414 -25.216 1.00 0.00 H new ATOM 1602 N GLY A 108 16.332 12.442 -22.851 1.00 0.00 N ATOM 1603 CA GLY A 108 16.784 12.978 -21.575 1.00 0.00 C ATOM 1604 C GLY A 108 15.840 12.602 -20.441 1.00 0.00 C ATOM 1605 O GLY A 108 16.278 12.426 -19.305 1.00 0.00 O ATOM 0 H GLY A 108 15.933 13.138 -23.480 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.784 12.603 -21.356 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.859 14.063 -21.642 1.00 0.00 H new ATOM 1609 N VAL A 109 14.545 12.473 -20.741 1.00 0.00 N ATOM 1610 CA VAL A 109 13.551 12.107 -19.738 1.00 0.00 C ATOM 1611 C VAL A 109 13.571 10.601 -19.501 1.00 0.00 C ATOM 1612 O VAL A 109 13.230 10.146 -18.412 1.00 0.00 O ATOM 1613 CB VAL A 109 12.172 12.589 -20.204 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.067 12.144 -19.253 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.149 14.115 -20.251 1.00 0.00 C ATOM 0 H VAL A 109 14.163 12.618 -21.675 1.00 0.00 H new ATOM 0 HA VAL A 109 13.784 12.587 -18.788 1.00 0.00 H new ATOM 0 HB VAL A 109 11.997 12.157 -21.189 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.106 12.505 -19.618 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.049 11.055 -19.200 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.255 12.553 -18.260 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.168 14.454 -20.583 1.00 0.00 H new ATOM 0 HG22 VAL A 109 12.354 14.513 -19.257 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.909 14.469 -20.947 1.00 0.00 H new ATOM 1625 N ALA A 110 13.969 9.815 -20.502 1.00 0.00 N ATOM 1626 CA ALA A 110 14.012 8.372 -20.355 1.00 0.00 C ATOM 1627 C ALA A 110 15.098 7.963 -19.359 1.00 0.00 C ATOM 1628 O ALA A 110 14.970 6.936 -18.696 1.00 0.00 O ATOM 1629 CB ALA A 110 14.263 7.740 -21.723 1.00 0.00 C ATOM 0 H ALA A 110 14.264 10.157 -21.417 1.00 0.00 H new ATOM 0 HA ALA A 110 13.058 8.018 -19.965 1.00 0.00 H new ATOM 0 HB1 ALA A 110 14.297 6.655 -21.622 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.458 8.016 -22.404 1.00 0.00 H new ATOM 0 HB3 ALA A 110 15.213 8.097 -22.120 1.00 0.00 H new ATOM 1635 N LYS A 111 16.166 8.760 -19.244 1.00 0.00 N ATOM 1636 CA LYS A 111 17.245 8.477 -18.306 1.00 0.00 C ATOM 1637 C LYS A 111 16.900 8.985 -16.908 1.00 0.00 C ATOM 1638 O LYS A 111 17.290 8.371 -15.916 1.00 0.00 O ATOM 1639 CB LYS A 111 18.539 9.116 -18.817 1.00 0.00 C ATOM 1640 CG LYS A 111 18.952 8.499 -20.155 1.00 0.00 C ATOM 1641 CD LYS A 111 20.233 9.164 -20.659 1.00 0.00 C ATOM 1642 CE LYS A 111 20.632 8.613 -22.029 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.972 7.179 -21.957 1.00 0.00 N ATOM 0 H LYS A 111 16.301 9.608 -19.794 1.00 0.00 H new ATOM 0 HA LYS A 111 17.383 7.398 -18.235 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.399 10.191 -18.934 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.334 8.976 -18.085 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.110 7.427 -20.038 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.154 8.626 -20.886 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.086 10.242 -20.725 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.040 8.995 -19.946 1.00 0.00 H new ATOM 0 HE2 LYS A 111 19.813 8.759 -22.734 1.00 0.00 H new ATOM 0 HE3 LYS A 111 21.486 9.172 -22.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 21.382 6.874 -22.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 21.662 7.024 -21.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.112 6.628 -21.763 1.00 0.00 H new ATOM 1657 N ALA A 112 16.171 10.101 -16.823 1.00 0.00 N ATOM 1658 CA ALA A 112 15.799 10.670 -15.539 1.00 0.00 C ATOM 1659 C ALA A 112 14.716 9.829 -14.869 1.00 0.00 C ATOM 1660 O ALA A 112 14.729 9.668 -13.650 1.00 0.00 O ATOM 1661 CB ALA A 112 15.325 12.105 -15.756 1.00 0.00 C ATOM 0 H ALA A 112 15.830 10.623 -17.631 1.00 0.00 H new ATOM 0 HA ALA A 112 16.663 10.673 -14.875 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.043 12.544 -14.799 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.130 12.691 -16.200 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.464 12.107 -16.424 1.00 0.00 H new ATOM 1667 N LEU A 113 13.782 9.285 -15.653 1.00 0.00 N ATOM 1668 CA LEU A 113 12.729 8.443 -15.107 1.00 0.00 C ATOM 1669 C LEU A 113 13.248 7.023 -14.894 1.00 0.00 C ATOM 1670 O LEU A 113 12.667 6.277 -14.112 1.00 0.00 O ATOM 1671 CB LEU A 113 11.505 8.469 -16.028 1.00 0.00 C ATOM 1672 CG LEU A 113 10.557 9.649 -15.757 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.819 9.446 -14.431 1.00 0.00 C ATOM 1674 CD2 LEU A 113 11.282 10.994 -15.703 1.00 0.00 C ATOM 0 H LEU A 113 13.738 9.415 -16.664 1.00 0.00 H new ATOM 0 HA LEU A 113 12.422 8.831 -14.136 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.841 8.514 -17.064 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.953 7.536 -15.912 1.00 0.00 H new ATOM 0 HG LEU A 113 9.856 9.672 -16.592 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.152 10.289 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.237 8.526 -14.476 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.543 9.378 -13.619 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.561 11.788 -15.509 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.025 10.975 -14.905 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.778 11.179 -16.656 1.00 0.00 H new ATOM 1686 N ALA A 114 14.334 6.628 -15.564 1.00 0.00 N ATOM 1687 CA ALA A 114 14.935 5.330 -15.302 1.00 0.00 C ATOM 1688 C ALA A 114 15.625 5.342 -13.936 1.00 0.00 C ATOM 1689 O ALA A 114 15.793 4.289 -13.322 1.00 0.00 O ATOM 1690 CB ALA A 114 15.924 4.988 -16.416 1.00 0.00 C ATOM 0 H ALA A 114 14.804 7.182 -16.279 1.00 0.00 H new ATOM 0 HA ALA A 114 14.160 4.564 -15.283 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.373 4.015 -16.218 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.400 4.958 -17.371 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.705 5.747 -16.455 1.00 0.00 H new ATOM 1696 N ALA A 115 16.023 6.527 -13.461 1.00 0.00 N ATOM 1697 CA ALA A 115 16.631 6.685 -12.146 1.00 0.00 C ATOM 1698 C ALA A 115 15.587 6.888 -11.040 1.00 0.00 C ATOM 1699 O ALA A 115 15.868 6.604 -9.878 1.00 0.00 O ATOM 1700 CB ALA A 115 17.605 7.859 -12.200 1.00 0.00 C ATOM 0 H ALA A 115 15.931 7.400 -13.981 1.00 0.00 H new ATOM 0 HA ALA A 115 17.163 5.767 -11.895 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.070 7.992 -11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.376 7.658 -12.944 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.066 8.767 -12.472 1.00 0.00 H new ATOM 1706 N LEU A 116 14.389 7.373 -11.386 1.00 0.00 N ATOM 1707 CA LEU A 116 13.332 7.602 -10.402 1.00 0.00 C ATOM 1708 C LEU A 116 12.407 6.397 -10.232 1.00 0.00 C ATOM 1709 O LEU A 116 11.650 6.345 -9.265 1.00 0.00 O ATOM 1710 CB LEU A 116 12.521 8.842 -10.800 1.00 0.00 C ATOM 1711 CG LEU A 116 13.322 10.142 -10.677 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.477 11.291 -11.219 1.00 0.00 C ATOM 1713 CD2 LEU A 116 13.678 10.449 -9.222 1.00 0.00 C ATOM 0 H LEU A 116 14.130 7.614 -12.343 1.00 0.00 H new ATOM 0 HA LEU A 116 13.814 7.762 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.176 8.730 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.633 8.907 -10.171 1.00 0.00 H new ATOM 0 HG LEU A 116 14.247 10.027 -11.242 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.036 12.223 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.235 11.103 -12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.555 11.369 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.246 11.378 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.764 10.552 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 116 14.279 9.636 -8.815 1.00 0.00 H new ATOM 1725 N LEU A 117 12.451 5.427 -11.152 1.00 0.00 N ATOM 1726 CA LEU A 117 11.571 4.263 -11.112 1.00 0.00 C ATOM 1727 C LEU A 117 12.338 3.005 -10.695 1.00 0.00 C ATOM 1728 O LEU A 117 11.866 1.890 -10.921 1.00 0.00 O ATOM 1729 CB LEU A 117 10.855 4.095 -12.459 1.00 0.00 C ATOM 1730 CG LEU A 117 9.599 4.970 -12.606 1.00 0.00 C ATOM 1731 CD1 LEU A 117 9.839 6.458 -12.337 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.069 4.817 -14.027 1.00 0.00 C ATOM 0 H LEU A 117 13.097 5.430 -11.941 1.00 0.00 H new ATOM 0 HA LEU A 117 10.806 4.423 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.551 4.336 -13.263 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.575 3.049 -12.583 1.00 0.00 H new ATOM 0 HG LEU A 117 8.888 4.626 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.905 7.006 -12.461 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.204 6.589 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.580 6.840 -13.040 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.177 5.431 -14.151 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.832 5.138 -14.736 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.819 3.772 -14.211 1.00 0.00 H new ATOM 1744 N VAL A 118 13.518 3.174 -10.089 1.00 0.00 N ATOM 1745 CA VAL A 118 14.341 2.059 -9.624 1.00 0.00 C ATOM 1746 C VAL A 118 13.647 1.280 -8.508 1.00 0.00 C ATOM 1747 O VAL A 118 12.838 1.892 -7.776 1.00 0.00 O ATOM 1748 CB VAL A 118 15.714 2.564 -9.165 1.00 0.00 C ATOM 1749 CG1 VAL A 118 16.461 3.185 -10.342 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.594 3.601 -8.044 1.00 0.00 C ATOM 0 H VAL A 118 13.928 4.090 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 118 14.484 1.375 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 118 16.265 1.706 -8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.435 3.541 -10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.597 2.436 -11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 118 15.885 4.022 -10.738 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.589 3.933 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.017 4.455 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.091 3.154 -7.187 1.00 0.00 H new TER 1760 VAL A 118