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= 1.15 K(o=3,f=1.6) USER MOD Set 1.2: A 102 LYS NZ :NH3+ 135:sc= 1.86 (180deg=0.669) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0473 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 173:sc= 0 (180deg=-0.116) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= -0.0683 (180deg=-0.206) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -175:sc= 0.589 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0892) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -41:sc= 0.386 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0987 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.453 -4.500 -1.568 1.00 0.00 N ATOM 2 CA MET A 1 8.746 -3.665 -2.750 1.00 0.00 C ATOM 3 C MET A 1 8.172 -2.262 -2.562 1.00 0.00 C ATOM 4 O MET A 1 7.132 -2.097 -1.922 1.00 0.00 O ATOM 5 CB MET A 1 8.205 -4.322 -4.021 1.00 0.00 C ATOM 6 CG MET A 1 8.608 -3.532 -5.267 1.00 0.00 C ATOM 7 SD MET A 1 8.084 -4.300 -6.823 1.00 0.00 S ATOM 8 CE MET A 1 8.756 -3.087 -7.986 1.00 0.00 C ATOM 0 H1 MET A 1 8.070 -5.416 -1.877 1.00 0.00 H new ATOM 0 H2 MET A 1 9.328 -4.655 -1.027 1.00 0.00 H new ATOM 0 H3 MET A 1 7.755 -4.018 -0.967 1.00 0.00 H new ATOM 0 HA MET A 1 9.827 -3.576 -2.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.583 -5.342 -4.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.118 -4.388 -3.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.181 -2.531 -5.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.692 -3.416 -5.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.528 -3.396 -9.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.308 -2.112 -7.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.837 -3.022 -7.859 1.00 0.00 H new ATOM 20 N SER A 2 8.847 -1.253 -3.121 1.00 0.00 N ATOM 21 CA SER A 2 8.411 0.135 -3.045 1.00 0.00 C ATOM 22 C SER A 2 8.767 0.871 -4.338 1.00 0.00 C ATOM 23 O SER A 2 9.660 0.451 -5.074 1.00 0.00 O ATOM 24 CB SER A 2 9.066 0.809 -1.841 1.00 0.00 C ATOM 25 OG SER A 2 8.565 2.122 -1.695 1.00 0.00 O ATOM 0 H SER A 2 9.715 -1.382 -3.641 1.00 0.00 H new ATOM 0 HA SER A 2 7.328 0.169 -2.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.868 0.232 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.148 0.835 -1.972 1.00 0.00 H new ATOM 0 HG SER A 2 8.987 2.549 -0.920 1.00 0.00 H new ATOM 31 N ALA A 3 8.061 1.972 -4.606 1.00 0.00 N ATOM 32 CA ALA A 3 8.255 2.771 -5.805 1.00 0.00 C ATOM 33 C ALA A 3 7.867 4.226 -5.540 1.00 0.00 C ATOM 34 O ALA A 3 7.268 4.541 -4.509 1.00 0.00 O ATOM 35 CB ALA A 3 7.407 2.192 -6.937 1.00 0.00 C ATOM 0 H ALA A 3 7.334 2.332 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 3 9.306 2.745 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.549 2.787 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.711 1.163 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.355 2.212 -6.651 1.00 0.00 H new ATOM 41 N LEU A 4 8.209 5.107 -6.480 1.00 0.00 N ATOM 42 CA LEU A 4 7.932 6.529 -6.380 1.00 0.00 C ATOM 43 C LEU A 4 7.422 7.062 -7.715 1.00 0.00 C ATOM 44 O LEU A 4 8.082 7.855 -8.381 1.00 0.00 O ATOM 45 CB LEU A 4 9.156 7.301 -5.861 1.00 0.00 C ATOM 46 CG LEU A 4 10.451 7.091 -6.658 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.380 8.274 -6.413 1.00 0.00 C ATOM 48 CD2 LEU A 4 11.193 5.828 -6.230 1.00 0.00 C ATOM 0 H LEU A 4 8.691 4.845 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 4 7.142 6.684 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.919 8.365 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.335 7.011 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 4 10.175 6.998 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.303 8.134 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.893 9.193 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.610 8.342 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 4 12.102 5.722 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.454 5.899 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.554 4.959 -6.388 1.00 0.00 H new ATOM 60 N THR A 5 6.228 6.618 -8.112 1.00 0.00 N ATOM 61 CA THR A 5 5.595 7.077 -9.341 1.00 0.00 C ATOM 62 C THR A 5 5.061 8.492 -9.158 1.00 0.00 C ATOM 63 O THR A 5 4.795 9.180 -10.140 1.00 0.00 O ATOM 64 CB THR A 5 4.408 6.176 -9.684 1.00 0.00 C ATOM 65 OG1 THR A 5 3.756 5.757 -8.505 1.00 0.00 O ATOM 66 CG2 THR A 5 4.864 4.941 -10.446 1.00 0.00 C ATOM 0 H THR A 5 5.679 5.934 -7.591 1.00 0.00 H new ATOM 0 HA THR A 5 6.340 7.051 -10.137 1.00 0.00 H new ATOM 0 HB THR A 5 3.725 6.754 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.997 5.182 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.001 4.317 -10.678 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.352 5.244 -11.372 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.567 4.375 -9.835 1.00 0.00 H new ATOM 74 N GLN A 6 4.898 8.936 -7.914 1.00 0.00 N ATOM 75 CA GLN A 6 4.227 10.188 -7.636 1.00 0.00 C ATOM 76 C GLN A 6 5.234 11.275 -7.305 1.00 0.00 C ATOM 77 O GLN A 6 5.786 11.310 -6.205 1.00 0.00 O ATOM 78 CB GLN A 6 3.213 9.956 -6.518 1.00 0.00 C ATOM 79 CG GLN A 6 2.254 8.848 -6.959 1.00 0.00 C ATOM 80 CD GLN A 6 1.136 8.578 -5.963 1.00 0.00 C ATOM 81 OE1 GLN A 6 1.055 9.185 -4.900 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.256 7.647 -6.317 1.00 0.00 N ATOM 0 H GLN A 6 5.225 8.440 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 6 3.689 10.538 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.722 9.673 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.662 10.873 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.816 9.119 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.820 7.930 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.356 7.163 -7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.520 7.416 -5.696 1.00 0.00 H new ATOM 91 N ILE A 7 5.460 12.164 -8.277 1.00 0.00 N ATOM 92 CA ILE A 7 6.523 13.154 -8.209 1.00 0.00 C ATOM 93 C ILE A 7 5.967 14.575 -8.207 1.00 0.00 C ATOM 94 O ILE A 7 5.147 14.929 -9.052 1.00 0.00 O ATOM 95 CB ILE A 7 7.468 12.930 -9.392 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.983 11.484 -9.451 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.645 13.903 -9.301 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.638 11.045 -8.142 1.00 0.00 C ATOM 0 H ILE A 7 4.906 12.212 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 7 7.069 13.035 -7.273 1.00 0.00 H new ATOM 0 HB ILE A 7 6.906 13.113 -10.308 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.154 10.815 -9.681 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.703 11.391 -10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.316 13.742 -10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.273 14.927 -9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.185 13.734 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.985 10.016 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.485 11.695 -7.923 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.912 11.110 -7.332 1.00 0.00 H new ATOM 110 N LEU A 8 6.429 15.389 -7.251 1.00 0.00 N ATOM 111 CA LEU A 8 6.050 16.789 -7.135 1.00 0.00 C ATOM 112 C LEU A 8 7.021 17.636 -7.959 1.00 0.00 C ATOM 113 O LEU A 8 8.234 17.496 -7.822 1.00 0.00 O ATOM 114 CB LEU A 8 6.073 17.178 -5.650 1.00 0.00 C ATOM 115 CG LEU A 8 5.112 18.309 -5.268 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.366 18.694 -3.813 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.269 19.560 -6.123 1.00 0.00 C ATOM 0 H LEU A 8 7.084 15.084 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 8 5.045 16.960 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.831 16.298 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.087 17.475 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 8 4.102 17.931 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.689 19.499 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.194 17.829 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.397 19.030 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.557 20.317 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.283 19.947 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.080 19.313 -7.168 1.00 0.00 H new ATOM 129 N ILE A 9 6.492 18.513 -8.814 1.00 0.00 N ATOM 130 CA ILE A 9 7.287 19.393 -9.654 1.00 0.00 C ATOM 131 C ILE A 9 7.458 20.741 -8.954 1.00 0.00 C ATOM 132 O ILE A 9 6.476 21.338 -8.508 1.00 0.00 O ATOM 133 CB ILE A 9 6.596 19.532 -11.019 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.505 18.154 -11.695 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.346 20.510 -11.926 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.743 18.211 -13.022 1.00 0.00 C ATOM 0 H ILE A 9 5.486 18.629 -8.940 1.00 0.00 H new ATOM 0 HA ILE A 9 8.282 18.980 -9.820 1.00 0.00 H new ATOM 0 HB ILE A 9 5.594 19.928 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.510 17.770 -11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.009 17.453 -11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.831 20.586 -12.884 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.380 21.492 -11.454 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.362 20.150 -12.088 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.704 17.215 -13.463 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.729 18.569 -12.844 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.253 18.890 -13.705 1.00 0.00 H new ATOM 148 N VAL A 10 8.699 21.228 -8.858 1.00 0.00 N ATOM 149 CA VAL A 10 9.001 22.495 -8.201 1.00 0.00 C ATOM 150 C VAL A 10 9.876 23.343 -9.121 1.00 0.00 C ATOM 151 O VAL A 10 11.074 23.092 -9.250 1.00 0.00 O ATOM 152 CB VAL A 10 9.711 22.240 -6.868 1.00 0.00 C ATOM 153 CG1 VAL A 10 9.920 23.554 -6.115 1.00 0.00 C ATOM 154 CG2 VAL A 10 8.908 21.288 -5.981 1.00 0.00 C ATOM 0 H VAL A 10 9.519 20.752 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 10 8.074 23.031 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 10 10.674 21.784 -7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.426 23.355 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.530 24.226 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.954 24.019 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.440 21.129 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.930 21.722 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.781 20.334 -6.493 1.00 0.00 H new ATOM 164 N GLU A 11 9.275 24.349 -9.761 1.00 0.00 N ATOM 165 CA GLU A 11 9.974 25.196 -10.713 1.00 0.00 C ATOM 166 C GLU A 11 9.250 26.539 -10.854 1.00 0.00 C ATOM 167 O GLU A 11 8.022 26.590 -10.826 1.00 0.00 O ATOM 168 CB GLU A 11 10.039 24.451 -12.046 1.00 0.00 C ATOM 169 CG GLU A 11 10.849 25.220 -13.090 1.00 0.00 C ATOM 170 CD GLU A 11 11.089 24.384 -14.348 1.00 0.00 C ATOM 171 OE1 GLU A 11 10.451 23.316 -14.478 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.916 24.829 -15.174 1.00 0.00 O ATOM 0 H GLU A 11 8.293 24.594 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 11 10.986 25.411 -10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.486 23.469 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.028 24.287 -12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.322 26.136 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.807 25.516 -12.662 1.00 0.00 H new ATOM 179 N ASP A 12 10.012 27.630 -11.007 1.00 0.00 N ATOM 180 CA ASP A 12 9.452 28.977 -11.054 1.00 0.00 C ATOM 181 C ASP A 12 9.162 29.435 -12.487 1.00 0.00 C ATOM 182 O ASP A 12 8.559 30.489 -12.689 1.00 0.00 O ATOM 183 CB ASP A 12 10.409 29.933 -10.338 1.00 0.00 C ATOM 184 CG ASP A 12 9.844 31.350 -10.256 1.00 0.00 C ATOM 185 OD1 ASP A 12 10.494 32.266 -10.809 1.00 0.00 O ATOM 186 OD2 ASP A 12 8.768 31.508 -9.638 1.00 0.00 O ATOM 0 H ASP A 12 11.027 27.599 -11.101 1.00 0.00 H new ATOM 0 HA ASP A 12 8.489 28.976 -10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.607 29.562 -9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.363 29.953 -10.864 1.00 0.00 H new ATOM 191 N GLU A 13 9.582 28.653 -13.485 1.00 0.00 N ATOM 192 CA GLU A 13 9.330 28.961 -14.884 1.00 0.00 C ATOM 193 C GLU A 13 8.133 28.134 -15.361 1.00 0.00 C ATOM 194 O GLU A 13 8.276 26.933 -15.583 1.00 0.00 O ATOM 195 CB GLU A 13 10.597 28.652 -15.685 1.00 0.00 C ATOM 196 CG GLU A 13 10.408 28.925 -17.176 1.00 0.00 C ATOM 197 CD GLU A 13 10.025 30.376 -17.447 1.00 0.00 C ATOM 198 OE1 GLU A 13 8.891 30.587 -17.928 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.866 31.261 -17.172 1.00 0.00 O ATOM 0 H GLU A 13 10.106 27.790 -13.340 1.00 0.00 H new ATOM 0 HA GLU A 13 9.088 30.014 -15.024 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.422 29.256 -15.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.873 27.608 -15.539 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.330 28.688 -17.708 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.634 28.266 -17.570 1.00 0.00 H new ATOM 206 N PRO A 14 6.954 28.750 -15.526 1.00 0.00 N ATOM 207 CA PRO A 14 5.728 28.043 -15.853 1.00 0.00 C ATOM 208 C PRO A 14 5.761 27.460 -17.264 1.00 0.00 C ATOM 209 O PRO A 14 4.975 26.566 -17.569 1.00 0.00 O ATOM 210 CB PRO A 14 4.618 29.086 -15.707 1.00 0.00 C ATOM 211 CG PRO A 14 5.332 30.401 -16.018 1.00 0.00 C ATOM 212 CD PRO A 14 6.707 30.173 -15.395 1.00 0.00 C ATOM 0 HA PRO A 14 5.575 27.187 -15.196 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.797 28.900 -16.399 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.194 29.085 -14.703 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.396 30.586 -17.090 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.821 31.257 -15.576 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.473 30.754 -15.908 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.721 30.480 -14.349 1.00 0.00 H new ATOM 220 N LEU A 15 6.658 27.946 -18.130 1.00 0.00 N ATOM 221 CA LEU A 15 6.752 27.436 -19.491 1.00 0.00 C ATOM 222 C LEU A 15 7.469 26.088 -19.503 1.00 0.00 C ATOM 223 O LEU A 15 7.070 25.182 -20.230 1.00 0.00 O ATOM 224 CB LEU A 15 7.491 28.466 -20.354 1.00 0.00 C ATOM 225 CG LEU A 15 7.615 28.029 -21.818 1.00 0.00 C ATOM 226 CD1 LEU A 15 6.237 27.839 -22.457 1.00 0.00 C ATOM 227 CD2 LEU A 15 8.371 29.099 -22.600 1.00 0.00 C ATOM 0 H LEU A 15 7.323 28.687 -17.909 1.00 0.00 H new ATOM 0 HA LEU A 15 5.754 27.280 -19.900 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.964 29.419 -20.307 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.487 28.632 -19.943 1.00 0.00 H new ATOM 0 HG LEU A 15 8.150 27.080 -21.846 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.357 27.529 -23.495 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.685 27.074 -21.911 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.686 28.779 -22.420 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.462 28.792 -23.642 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.827 30.042 -22.545 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.365 29.228 -22.172 1.00 0.00 H new ATOM 239 N ILE A 16 8.524 25.947 -18.694 1.00 0.00 N ATOM 240 CA ILE A 16 9.287 24.707 -18.628 1.00 0.00 C ATOM 241 C ILE A 16 8.658 23.755 -17.612 1.00 0.00 C ATOM 242 O ILE A 16 8.813 22.538 -17.727 1.00 0.00 O ATOM 243 CB ILE A 16 10.750 25.031 -18.300 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.361 25.995 -19.328 1.00 0.00 C ATOM 245 CG2 ILE A 16 11.583 23.746 -18.246 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.341 25.462 -20.763 1.00 0.00 C ATOM 0 H ILE A 16 8.866 26.682 -18.075 1.00 0.00 H new ATOM 0 HA ILE A 16 9.266 24.199 -19.592 1.00 0.00 H new ATOM 0 HB ILE A 16 10.764 25.517 -17.324 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.818 26.940 -19.294 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.391 26.209 -19.044 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.619 23.993 -18.012 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.185 23.086 -17.475 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.539 23.243 -19.212 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.789 26.198 -21.431 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.909 24.533 -20.814 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.311 25.275 -21.067 1.00 0.00 H new ATOM 258 N ALA A 17 7.944 24.294 -16.618 1.00 0.00 N ATOM 259 CA ALA A 17 7.256 23.461 -15.649 1.00 0.00 C ATOM 260 C ALA A 17 6.087 22.745 -16.323 1.00 0.00 C ATOM 261 O ALA A 17 5.829 21.578 -16.043 1.00 0.00 O ATOM 262 CB ALA A 17 6.764 24.333 -14.494 1.00 0.00 C ATOM 0 H ALA A 17 7.833 25.297 -16.471 1.00 0.00 H new ATOM 0 HA ALA A 17 7.939 22.708 -15.255 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.246 23.711 -13.764 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.615 24.820 -14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.079 25.090 -14.876 1.00 0.00 H new ATOM 268 N MET A 18 5.378 23.444 -17.213 1.00 0.00 N ATOM 269 CA MET A 18 4.273 22.852 -17.949 1.00 0.00 C ATOM 270 C MET A 18 4.808 21.916 -19.032 1.00 0.00 C ATOM 271 O MET A 18 4.131 20.966 -19.419 1.00 0.00 O ATOM 272 CB MET A 18 3.423 23.974 -18.549 1.00 0.00 C ATOM 273 CG MET A 18 2.182 23.424 -19.253 1.00 0.00 C ATOM 274 SD MET A 18 1.067 22.487 -18.172 1.00 0.00 S ATOM 275 CE MET A 18 -0.173 21.998 -19.395 1.00 0.00 C ATOM 0 H MET A 18 5.555 24.423 -17.437 1.00 0.00 H new ATOM 0 HA MET A 18 3.649 22.258 -17.281 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.120 24.663 -17.761 1.00 0.00 H new ATOM 0 HB3 MET A 18 4.022 24.545 -19.259 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.630 24.254 -19.693 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.499 22.781 -20.074 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.949 21.407 -18.910 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.619 22.889 -19.837 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.301 21.403 -20.176 1.00 0.00 H new ATOM 285 N MET A 19 6.023 22.177 -19.526 1.00 0.00 N ATOM 286 CA MET A 19 6.651 21.326 -20.522 1.00 0.00 C ATOM 287 C MET A 19 6.946 19.951 -19.921 1.00 0.00 C ATOM 288 O MET A 19 6.884 18.944 -20.624 1.00 0.00 O ATOM 289 CB MET A 19 7.931 22.011 -21.009 1.00 0.00 C ATOM 290 CG MET A 19 8.658 21.188 -22.071 1.00 0.00 C ATOM 291 SD MET A 19 10.163 21.997 -22.681 1.00 0.00 S ATOM 292 CE MET A 19 10.786 20.691 -23.773 1.00 0.00 C ATOM 0 H MET A 19 6.588 22.978 -19.245 1.00 0.00 H new ATOM 0 HA MET A 19 5.985 21.176 -21.372 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.684 22.991 -21.417 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.597 22.177 -20.162 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.918 20.215 -21.655 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.984 21.007 -22.908 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.645 21.063 -24.332 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.086 19.830 -23.176 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.002 20.394 -24.469 1.00 0.00 H new ATOM 302 N LEU A 20 7.265 19.889 -18.625 1.00 0.00 N ATOM 303 CA LEU A 20 7.520 18.609 -17.987 1.00 0.00 C ATOM 304 C LEU A 20 6.210 17.890 -17.702 1.00 0.00 C ATOM 305 O LEU A 20 6.173 16.662 -17.717 1.00 0.00 O ATOM 306 CB LEU A 20 8.356 18.806 -16.721 1.00 0.00 C ATOM 307 CG LEU A 20 8.881 17.456 -16.216 1.00 0.00 C ATOM 308 CD1 LEU A 20 10.252 17.644 -15.583 1.00 0.00 C ATOM 309 CD2 LEU A 20 7.978 16.839 -15.149 1.00 0.00 C ATOM 0 H LEU A 20 7.350 20.699 -18.012 1.00 0.00 H new ATOM 0 HA LEU A 20 8.096 17.978 -18.664 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.192 19.474 -16.929 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.752 19.281 -15.948 1.00 0.00 H new ATOM 0 HG LEU A 20 8.917 16.795 -17.082 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.622 16.683 -15.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.943 18.046 -16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.174 18.337 -14.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.395 15.885 -14.826 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.911 17.513 -14.295 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.983 16.678 -15.563 1.00 0.00 H new ATOM 321 N GLU A 21 5.130 18.635 -17.444 1.00 0.00 N ATOM 322 CA GLU A 21 3.831 18.024 -17.220 1.00 0.00 C ATOM 323 C GLU A 21 3.302 17.414 -18.516 1.00 0.00 C ATOM 324 O GLU A 21 2.454 16.526 -18.474 1.00 0.00 O ATOM 325 CB GLU A 21 2.844 19.048 -16.659 1.00 0.00 C ATOM 326 CG GLU A 21 3.253 19.481 -15.248 1.00 0.00 C ATOM 327 CD GLU A 21 2.215 20.422 -14.634 1.00 0.00 C ATOM 328 OE1 GLU A 21 2.622 21.510 -14.170 1.00 0.00 O ATOM 329 OE2 GLU A 21 1.019 20.049 -14.636 1.00 0.00 O ATOM 0 H GLU A 21 5.136 19.653 -17.387 1.00 0.00 H new ATOM 0 HA GLU A 21 3.944 17.226 -16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.804 19.918 -17.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.842 18.620 -16.637 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.370 18.602 -14.615 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.222 19.979 -15.284 1.00 0.00 H new ATOM 336 N ASP A 22 3.792 17.872 -19.673 1.00 0.00 N ATOM 337 CA ASP A 22 3.421 17.253 -20.938 1.00 0.00 C ATOM 338 C ASP A 22 4.130 15.910 -21.066 1.00 0.00 C ATOM 339 O ASP A 22 3.520 14.935 -21.507 1.00 0.00 O ATOM 340 CB ASP A 22 3.787 18.171 -22.111 1.00 0.00 C ATOM 341 CG ASP A 22 2.938 19.441 -22.147 1.00 0.00 C ATOM 342 OD1 ASP A 22 1.736 19.347 -21.818 1.00 0.00 O ATOM 343 OD2 ASP A 22 3.503 20.498 -22.508 1.00 0.00 O ATOM 0 H ASP A 22 4.437 18.658 -19.754 1.00 0.00 H new ATOM 0 HA ASP A 22 2.343 17.093 -20.960 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.840 18.444 -22.040 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.661 17.627 -23.047 1.00 0.00 H new ATOM 348 N PHE A 23 5.411 15.838 -20.682 1.00 0.00 N ATOM 349 CA PHE A 23 6.119 14.566 -20.712 1.00 0.00 C ATOM 350 C PHE A 23 5.663 13.646 -19.581 1.00 0.00 C ATOM 351 O PHE A 23 5.963 12.456 -19.614 1.00 0.00 O ATOM 352 CB PHE A 23 7.625 14.807 -20.655 1.00 0.00 C ATOM 353 CG PHE A 23 8.146 15.491 -21.896 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.125 14.814 -23.126 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.636 16.799 -21.824 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.580 15.455 -24.285 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.073 17.443 -22.989 1.00 0.00 C ATOM 358 CZ PHE A 23 9.050 16.773 -24.220 1.00 0.00 C ATOM 0 H PHE A 23 5.963 16.631 -20.355 1.00 0.00 H new ATOM 0 HA PHE A 23 5.882 14.062 -21.649 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.860 15.416 -19.782 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.138 13.854 -20.526 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.758 13.800 -23.178 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.677 17.311 -20.874 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.569 14.933 -25.230 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.430 18.461 -22.938 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.393 17.271 -25.115 1.00 0.00 H new ATOM 368 N LEU A 24 4.944 14.173 -18.587 1.00 0.00 N ATOM 369 CA LEU A 24 4.436 13.364 -17.490 1.00 0.00 C ATOM 370 C LEU A 24 3.206 12.573 -17.941 1.00 0.00 C ATOM 371 O LEU A 24 2.928 11.507 -17.398 1.00 0.00 O ATOM 372 CB LEU A 24 4.131 14.291 -16.307 1.00 0.00 C ATOM 373 CG LEU A 24 3.683 13.541 -15.049 1.00 0.00 C ATOM 374 CD1 LEU A 24 4.735 12.535 -14.590 1.00 0.00 C ATOM 375 CD2 LEU A 24 3.456 14.551 -13.928 1.00 0.00 C ATOM 0 H LEU A 24 4.703 15.162 -18.525 1.00 0.00 H new ATOM 0 HA LEU A 24 5.179 12.632 -17.174 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.020 14.877 -16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.352 14.996 -16.598 1.00 0.00 H new ATOM 0 HG LEU A 24 2.767 12.999 -15.284 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.382 12.022 -13.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.910 11.806 -15.381 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.665 13.058 -14.366 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.136 14.028 -13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.384 15.086 -13.727 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.685 15.261 -14.228 1.00 0.00 H new ATOM 387 N GLU A 25 2.477 13.097 -18.933 1.00 0.00 N ATOM 388 CA GLU A 25 1.327 12.406 -19.500 1.00 0.00 C ATOM 389 C GLU A 25 1.778 11.416 -20.574 1.00 0.00 C ATOM 390 O GLU A 25 1.078 10.440 -20.845 1.00 0.00 O ATOM 391 CB GLU A 25 0.356 13.432 -20.091 1.00 0.00 C ATOM 392 CG GLU A 25 -0.264 14.311 -19.003 1.00 0.00 C ATOM 393 CD GLU A 25 -1.134 13.493 -18.052 1.00 0.00 C ATOM 394 OE1 GLU A 25 -0.717 13.316 -16.886 1.00 0.00 O ATOM 395 OE2 GLU A 25 -2.215 13.051 -18.499 1.00 0.00 O ATOM 0 H GLU A 25 2.670 14.004 -19.358 1.00 0.00 H new ATOM 0 HA GLU A 25 0.820 11.847 -18.713 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.882 14.059 -20.811 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.434 12.915 -20.636 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.527 14.806 -18.439 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.865 15.094 -19.465 1.00 0.00 H new ATOM 402 N VAL A 26 2.942 11.656 -21.186 1.00 0.00 N ATOM 403 CA VAL A 26 3.519 10.734 -22.161 1.00 0.00 C ATOM 404 C VAL A 26 4.226 9.587 -21.435 1.00 0.00 C ATOM 405 O VAL A 26 4.459 8.528 -22.016 1.00 0.00 O ATOM 406 CB VAL A 26 4.474 11.502 -23.085 1.00 0.00 C ATOM 407 CG1 VAL A 26 5.196 10.573 -24.065 1.00 0.00 C ATOM 408 CG2 VAL A 26 3.684 12.516 -23.913 1.00 0.00 C ATOM 0 H VAL A 26 3.505 12.490 -21.019 1.00 0.00 H new ATOM 0 HA VAL A 26 2.733 10.298 -22.777 1.00 0.00 H new ATOM 0 HB VAL A 26 5.209 11.991 -22.446 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.861 11.159 -24.699 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.779 9.839 -23.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.463 10.059 -24.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.365 13.060 -24.568 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.941 11.994 -24.515 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.183 13.218 -23.247 1.00 0.00 H new ATOM 418 N LEU A 27 4.565 9.796 -20.158 1.00 0.00 N ATOM 419 CA LEU A 27 5.226 8.794 -19.335 1.00 0.00 C ATOM 420 C LEU A 27 4.197 7.877 -18.660 1.00 0.00 C ATOM 421 O LEU A 27 4.570 6.891 -18.022 1.00 0.00 O ATOM 422 CB LEU A 27 6.114 9.528 -18.323 1.00 0.00 C ATOM 423 CG LEU A 27 7.056 8.615 -17.536 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.028 7.885 -18.463 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.859 9.485 -16.573 1.00 0.00 C ATOM 0 H LEU A 27 4.384 10.673 -19.669 1.00 0.00 H new ATOM 0 HA LEU A 27 5.850 8.142 -19.946 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.707 10.274 -18.851 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.477 10.066 -17.621 1.00 0.00 H new ATOM 0 HG LEU A 27 6.465 7.869 -17.006 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.683 7.245 -17.872 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.467 7.275 -19.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.628 8.614 -19.008 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.540 8.858 -15.998 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.432 10.220 -17.138 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.179 9.999 -15.894 1.00 0.00 H new ATOM 437 N ASP A 28 2.906 8.200 -18.799 1.00 0.00 N ATOM 438 CA ASP A 28 1.803 7.444 -18.217 1.00 0.00 C ATOM 439 C ASP A 28 1.963 7.231 -16.706 1.00 0.00 C ATOM 440 O ASP A 28 1.459 6.255 -16.154 1.00 0.00 O ATOM 441 CB ASP A 28 1.594 6.141 -19.001 1.00 0.00 C ATOM 442 CG ASP A 28 0.278 5.455 -18.638 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.755 6.161 -18.602 1.00 0.00 O ATOM 444 OD2 ASP A 28 0.316 4.227 -18.397 1.00 0.00 O ATOM 0 H ASP A 28 2.598 9.013 -19.332 1.00 0.00 H new ATOM 0 HA ASP A 28 0.892 8.034 -18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.607 6.356 -20.070 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.423 5.462 -18.802 1.00 0.00 H new ATOM 449 N LYS A 29 2.674 8.147 -16.039 1.00 0.00 N ATOM 450 CA LYS A 29 2.922 8.079 -14.606 1.00 0.00 C ATOM 451 C LYS A 29 1.825 8.832 -13.842 1.00 0.00 C ATOM 452 O LYS A 29 0.869 9.311 -14.449 1.00 0.00 O ATOM 453 CB LYS A 29 4.331 8.613 -14.326 1.00 0.00 C ATOM 454 CG LYS A 29 4.916 7.984 -13.056 1.00 0.00 C ATOM 455 CD LYS A 29 6.336 8.484 -12.796 1.00 0.00 C ATOM 456 CE LYS A 29 6.379 10.008 -12.670 1.00 0.00 C ATOM 457 NZ LYS A 29 7.770 10.490 -12.559 1.00 0.00 N ATOM 0 H LYS A 29 3.094 8.961 -16.488 1.00 0.00 H new ATOM 0 HA LYS A 29 2.882 7.049 -14.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.980 8.398 -15.175 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.298 9.697 -14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.281 8.223 -12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.922 6.898 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.721 8.031 -11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.989 8.166 -13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.901 10.462 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.811 10.320 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.769 11.499 -12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.267 9.949 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.255 10.362 -13.470 1.00 0.00 H new ATOM 471 N THR A 30 1.956 8.940 -12.515 1.00 0.00 N ATOM 472 CA THR A 30 0.919 9.530 -11.680 1.00 0.00 C ATOM 473 C THR A 30 1.371 10.888 -11.139 1.00 0.00 C ATOM 474 O THR A 30 2.371 10.964 -10.429 1.00 0.00 O ATOM 475 CB THR A 30 0.570 8.556 -10.550 1.00 0.00 C ATOM 476 OG1 THR A 30 0.055 7.362 -11.097 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.493 9.158 -9.631 1.00 0.00 C ATOM 0 H THR A 30 2.777 8.623 -12.000 1.00 0.00 H new ATOM 0 HA THR A 30 0.023 9.706 -12.275 1.00 0.00 H new ATOM 0 HB THR A 30 1.477 8.357 -9.979 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.166 6.739 -10.373 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.728 8.452 -8.835 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.116 10.083 -9.196 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.394 9.369 -10.206 1.00 0.00 H new ATOM 485 N PRO A 31 0.648 11.970 -11.462 1.00 0.00 N ATOM 486 CA PRO A 31 0.946 13.316 -10.996 1.00 0.00 C ATOM 487 C PRO A 31 0.423 13.537 -9.579 1.00 0.00 C ATOM 488 O PRO A 31 -0.399 12.764 -9.088 1.00 0.00 O ATOM 489 CB PRO A 31 0.226 14.232 -11.985 1.00 0.00 C ATOM 490 CG PRO A 31 -1.026 13.426 -12.322 1.00 0.00 C ATOM 491 CD PRO A 31 -0.515 11.985 -12.332 1.00 0.00 C ATOM 0 HA PRO A 31 2.018 13.506 -10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.019 15.197 -11.541 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.831 14.432 -12.869 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.811 13.571 -11.580 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.443 13.713 -13.287 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.280 11.297 -11.973 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.252 11.671 -13.342 1.00 0.00 H new ATOM 499 N VAL A 32 0.901 14.599 -8.920 1.00 0.00 N ATOM 500 CA VAL A 32 0.422 14.970 -7.589 1.00 0.00 C ATOM 501 C VAL A 32 0.267 16.479 -7.442 1.00 0.00 C ATOM 502 O VAL A 32 -0.595 16.930 -6.689 1.00 0.00 O ATOM 503 CB VAL A 32 1.369 14.441 -6.505 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.361 12.921 -6.467 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.820 14.873 -6.729 1.00 0.00 C ATOM 0 H VAL A 32 1.622 15.217 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.560 14.514 -7.465 1.00 0.00 H new ATOM 0 HB VAL A 32 1.001 14.862 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.041 12.573 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.353 12.568 -6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.684 12.531 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.446 14.471 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.168 14.495 -7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.881 15.961 -6.724 1.00 0.00 H new ATOM 515 N GLY A 33 1.083 17.268 -8.146 1.00 0.00 N ATOM 516 CA GLY A 33 0.967 18.719 -8.101 1.00 0.00 C ATOM 517 C GLY A 33 2.202 19.421 -8.653 1.00 0.00 C ATOM 518 O GLY A 33 3.207 18.781 -8.969 1.00 0.00 O ATOM 0 H GLY A 33 1.828 16.923 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.092 19.028 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.803 19.035 -7.071 1.00 0.00 H new ATOM 522 N THR A 34 2.112 20.748 -8.760 1.00 0.00 N ATOM 523 CA THR A 34 3.208 21.603 -9.183 1.00 0.00 C ATOM 524 C THR A 34 3.188 22.875 -8.344 1.00 0.00 C ATOM 525 O THR A 34 2.116 23.393 -8.030 1.00 0.00 O ATOM 526 CB THR A 34 3.079 21.943 -10.670 1.00 0.00 C ATOM 527 OG1 THR A 34 3.044 20.762 -11.437 1.00 0.00 O ATOM 528 CG2 THR A 34 4.260 22.792 -11.138 1.00 0.00 C ATOM 0 H THR A 34 1.257 21.262 -8.550 1.00 0.00 H new ATOM 0 HA THR A 34 4.155 21.082 -9.039 1.00 0.00 H new ATOM 0 HB THR A 34 2.154 22.504 -10.804 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.043 20.991 -12.390 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.146 23.021 -12.198 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.290 23.720 -10.567 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.188 22.241 -10.983 1.00 0.00 H new ATOM 536 N VAL A 35 4.369 23.384 -7.980 1.00 0.00 N ATOM 537 CA VAL A 35 4.504 24.595 -7.178 1.00 0.00 C ATOM 538 C VAL A 35 5.665 25.443 -7.690 1.00 0.00 C ATOM 539 O VAL A 35 6.576 24.934 -8.342 1.00 0.00 O ATOM 540 CB VAL A 35 4.692 24.249 -5.696 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.440 23.579 -5.131 1.00 0.00 C ATOM 542 CG2 VAL A 35 5.878 23.307 -5.492 1.00 0.00 C ATOM 0 H VAL A 35 5.261 22.962 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 35 3.586 25.175 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 35 4.879 25.186 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.597 23.343 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.590 24.255 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.238 22.661 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.985 23.081 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.708 22.383 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.788 23.784 -5.855 1.00 0.00 H new ATOM 552 N ASP A 36 5.633 26.745 -7.390 1.00 0.00 N ATOM 553 CA ASP A 36 6.637 27.692 -7.855 1.00 0.00 C ATOM 554 C ASP A 36 7.705 27.976 -6.794 1.00 0.00 C ATOM 555 O ASP A 36 8.656 28.710 -7.060 1.00 0.00 O ATOM 556 CB ASP A 36 5.950 28.977 -8.324 1.00 0.00 C ATOM 557 CG ASP A 36 5.246 29.705 -7.183 1.00 0.00 C ATOM 558 OD1 ASP A 36 4.329 29.097 -6.586 1.00 0.00 O ATOM 559 OD2 ASP A 36 5.628 30.867 -6.914 1.00 0.00 O ATOM 0 H ASP A 36 4.905 27.168 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 36 7.164 27.244 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.690 29.639 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.225 28.736 -9.101 1.00 0.00 H new ATOM 564 N THR A 37 7.552 27.404 -5.597 1.00 0.00 N ATOM 565 CA THR A 37 8.520 27.539 -4.515 1.00 0.00 C ATOM 566 C THR A 37 8.624 26.226 -3.751 1.00 0.00 C ATOM 567 O THR A 37 7.708 25.409 -3.782 1.00 0.00 O ATOM 568 CB THR A 37 8.116 28.659 -3.551 1.00 0.00 C ATOM 569 OG1 THR A 37 6.854 28.381 -2.990 1.00 0.00 O ATOM 570 CG2 THR A 37 8.062 30.013 -4.253 1.00 0.00 C ATOM 0 H THR A 37 6.745 26.830 -5.353 1.00 0.00 H new ATOM 0 HA THR A 37 9.486 27.791 -4.952 1.00 0.00 H new ATOM 0 HB THR A 37 8.873 28.706 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.604 29.101 -2.374 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.772 30.782 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.044 30.250 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.331 29.975 -5.061 1.00 0.00 H new ATOM 578 N VAL A 38 9.746 26.017 -3.057 1.00 0.00 N ATOM 579 CA VAL A 38 9.951 24.800 -2.284 1.00 0.00 C ATOM 580 C VAL A 38 9.121 24.826 -1.000 1.00 0.00 C ATOM 581 O VAL A 38 8.823 23.778 -0.434 1.00 0.00 O ATOM 582 CB VAL A 38 11.446 24.598 -2.016 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.006 25.681 -1.093 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.688 23.228 -1.384 1.00 0.00 C ATOM 0 H VAL A 38 10.523 26.677 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 38 9.603 23.942 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 38 11.960 24.662 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.068 25.504 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.869 26.659 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.480 25.654 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.754 23.096 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.144 23.161 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.338 22.448 -2.061 1.00 0.00 H new ATOM 594 N ALA A 39 8.739 26.019 -0.530 1.00 0.00 N ATOM 595 CA ALA A 39 7.910 26.135 0.656 1.00 0.00 C ATOM 596 C ALA A 39 6.513 25.570 0.390 1.00 0.00 C ATOM 597 O ALA A 39 5.843 25.099 1.311 1.00 0.00 O ATOM 598 CB ALA A 39 7.832 27.608 1.063 1.00 0.00 C ATOM 0 H ALA A 39 8.994 26.910 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 39 8.351 25.559 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.211 27.707 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.834 27.980 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.395 28.188 0.250 1.00 0.00 H new ATOM 604 N GLY A 40 6.072 25.609 -0.873 1.00 0.00 N ATOM 605 CA GLY A 40 4.800 25.025 -1.271 1.00 0.00 C ATOM 606 C GLY A 40 4.914 23.505 -1.374 1.00 0.00 C ATOM 607 O GLY A 40 3.908 22.802 -1.307 1.00 0.00 O ATOM 0 H GLY A 40 6.588 26.045 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.030 25.289 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.489 25.437 -2.231 1.00 0.00 H new ATOM 611 N ALA A 41 6.137 22.993 -1.534 1.00 0.00 N ATOM 612 CA ALA A 41 6.370 21.562 -1.594 1.00 0.00 C ATOM 613 C ALA A 41 6.398 20.969 -0.186 1.00 0.00 C ATOM 614 O ALA A 41 6.025 19.813 -0.005 1.00 0.00 O ATOM 615 CB ALA A 41 7.680 21.294 -2.334 1.00 0.00 C ATOM 0 H ALA A 41 6.981 23.559 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 41 5.557 21.081 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.858 20.220 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.615 21.696 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.502 21.775 -1.804 1.00 0.00 H new ATOM 621 N LEU A 42 6.832 21.753 0.808 1.00 0.00 N ATOM 622 CA LEU A 42 6.840 21.302 2.194 1.00 0.00 C ATOM 623 C LEU A 42 5.415 21.246 2.736 1.00 0.00 C ATOM 624 O LEU A 42 5.100 20.378 3.550 1.00 0.00 O ATOM 625 CB LEU A 42 7.681 22.261 3.042 1.00 0.00 C ATOM 626 CG LEU A 42 9.174 22.207 2.705 1.00 0.00 C ATOM 627 CD1 LEU A 42 9.890 23.289 3.511 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.778 20.853 3.059 1.00 0.00 C ATOM 0 H LEU A 42 7.181 22.702 0.673 1.00 0.00 H new ATOM 0 HA LEU A 42 7.274 20.303 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.318 23.279 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.543 22.021 4.096 1.00 0.00 H new ATOM 0 HG LEU A 42 9.294 22.365 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.956 23.266 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.484 24.266 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.742 23.108 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.838 20.850 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.659 20.669 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.269 20.070 2.497 1.00 0.00 H new ATOM 640 N ALA A 43 4.553 22.167 2.290 1.00 0.00 N ATOM 641 CA ALA A 43 3.176 22.206 2.746 1.00 0.00 C ATOM 642 C ALA A 43 2.330 21.135 2.059 1.00 0.00 C ATOM 643 O ALA A 43 1.320 20.701 2.614 1.00 0.00 O ATOM 644 CB ALA A 43 2.615 23.604 2.482 1.00 0.00 C ATOM 0 H ALA A 43 4.793 22.892 1.614 1.00 0.00 H new ATOM 0 HA ALA A 43 3.144 21.993 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.580 23.650 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.207 24.342 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.658 23.818 1.414 1.00 0.00 H new ATOM 650 N ARG A 44 2.731 20.701 0.858 1.00 0.00 N ATOM 651 CA ARG A 44 2.004 19.676 0.120 1.00 0.00 C ATOM 652 C ARG A 44 2.460 18.267 0.506 1.00 0.00 C ATOM 653 O ARG A 44 1.657 17.337 0.476 1.00 0.00 O ATOM 654 CB ARG A 44 2.167 19.935 -1.379 1.00 0.00 C ATOM 655 CG ARG A 44 1.222 19.039 -2.189 1.00 0.00 C ATOM 656 CD ARG A 44 1.434 19.246 -3.692 1.00 0.00 C ATOM 657 NE ARG A 44 1.117 20.622 -4.104 1.00 0.00 N ATOM 658 CZ ARG A 44 0.003 20.983 -4.748 1.00 0.00 C ATOM 659 NH1 ARG A 44 -0.926 20.083 -5.069 1.00 0.00 N ATOM 660 NH2 ARG A 44 -0.189 22.256 -5.078 1.00 0.00 N ATOM 0 H ARG A 44 3.561 21.050 0.379 1.00 0.00 H new ATOM 0 HA ARG A 44 0.947 19.732 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.959 20.983 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.199 19.746 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.396 17.994 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.188 19.264 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.469 19.019 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.808 18.547 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 44 1.795 21.352 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.792 19.102 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.771 20.375 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.513 22.956 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.039 22.533 -5.570 1.00 0.00 H new ATOM 674 N VAL A 45 3.736 18.094 0.869 1.00 0.00 N ATOM 675 CA VAL A 45 4.263 16.772 1.195 1.00 0.00 C ATOM 676 C VAL A 45 3.957 16.381 2.640 1.00 0.00 C ATOM 677 O VAL A 45 3.952 15.197 2.968 1.00 0.00 O ATOM 678 CB VAL A 45 5.768 16.730 0.895 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.581 17.440 1.977 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.246 15.284 0.793 1.00 0.00 C ATOM 0 H VAL A 45 4.416 18.850 0.943 1.00 0.00 H new ATOM 0 HA VAL A 45 3.765 16.032 0.568 1.00 0.00 H new ATOM 0 HB VAL A 45 5.921 17.246 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.641 17.388 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.273 18.484 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.410 16.955 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.315 15.268 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.056 14.771 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.709 14.779 -0.010 1.00 0.00 H new ATOM 690 N GLU A 46 3.700 17.363 3.510 1.00 0.00 N ATOM 691 CA GLU A 46 3.359 17.092 4.904 1.00 0.00 C ATOM 692 C GLU A 46 1.951 16.496 5.006 1.00 0.00 C ATOM 693 O GLU A 46 1.576 15.945 6.042 1.00 0.00 O ATOM 694 CB GLU A 46 3.501 18.394 5.701 1.00 0.00 C ATOM 695 CG GLU A 46 3.344 18.157 7.203 1.00 0.00 C ATOM 696 CD GLU A 46 3.657 19.430 7.984 1.00 0.00 C ATOM 697 OE1 GLU A 46 4.826 19.577 8.411 1.00 0.00 O ATOM 698 OE2 GLU A 46 2.730 20.254 8.151 1.00 0.00 O ATOM 0 H GLU A 46 3.723 18.354 3.269 1.00 0.00 H new ATOM 0 HA GLU A 46 4.039 16.352 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.477 18.838 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.751 19.110 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.327 17.831 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.010 17.355 7.522 1.00 0.00 H new ATOM 705 N ASP A 47 1.166 16.600 3.929 1.00 0.00 N ATOM 706 CA ASP A 47 -0.176 16.036 3.863 1.00 0.00 C ATOM 707 C ASP A 47 -0.134 14.594 3.349 1.00 0.00 C ATOM 708 O ASP A 47 -1.126 13.874 3.432 1.00 0.00 O ATOM 709 CB ASP A 47 -1.044 16.926 2.973 1.00 0.00 C ATOM 710 CG ASP A 47 -2.504 16.480 2.979 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.005 16.114 1.894 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.109 16.510 4.073 1.00 0.00 O ATOM 0 H ASP A 47 1.450 17.082 3.076 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.612 16.004 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.978 17.958 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.661 16.904 1.953 1.00 0.00 H new ATOM 717 N GLY A 48 1.015 14.170 2.812 1.00 0.00 N ATOM 718 CA GLY A 48 1.176 12.850 2.223 1.00 0.00 C ATOM 719 C GLY A 48 0.650 12.809 0.791 1.00 0.00 C ATOM 720 O GLY A 48 0.373 13.848 0.190 1.00 0.00 O ATOM 0 H GLY A 48 1.860 14.741 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.230 12.572 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.647 12.114 2.828 1.00 0.00 H new ATOM 724 N GLY A 49 0.508 11.601 0.238 1.00 0.00 N ATOM 725 CA GLY A 49 0.015 11.423 -1.121 1.00 0.00 C ATOM 726 C GLY A 49 1.094 11.694 -2.168 1.00 0.00 C ATOM 727 O GLY A 49 0.775 11.837 -3.350 1.00 0.00 O ATOM 0 H GLY A 49 0.731 10.729 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.357 10.405 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.829 12.092 -1.290 1.00 0.00 H new ATOM 731 N ILE A 50 2.360 11.765 -1.746 1.00 0.00 N ATOM 732 CA ILE A 50 3.497 11.997 -2.629 1.00 0.00 C ATOM 733 C ILE A 50 4.625 11.042 -2.252 1.00 0.00 C ATOM 734 O ILE A 50 4.797 10.730 -1.074 1.00 0.00 O ATOM 735 CB ILE A 50 3.940 13.465 -2.528 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.774 14.371 -2.938 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.163 13.710 -3.421 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.155 15.848 -2.969 1.00 0.00 C ATOM 0 H ILE A 50 2.623 11.661 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 50 3.217 11.805 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 50 4.223 13.694 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.417 14.072 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.947 14.228 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.468 14.753 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.982 13.067 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.908 13.484 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.290 16.441 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.486 16.159 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.962 16.001 -3.685 1.00 0.00 H new ATOM 750 N ASP A 51 5.397 10.578 -3.239 1.00 0.00 N ATOM 751 CA ASP A 51 6.478 9.634 -2.996 1.00 0.00 C ATOM 752 C ASP A 51 7.846 10.304 -3.116 1.00 0.00 C ATOM 753 O ASP A 51 8.793 9.882 -2.452 1.00 0.00 O ATOM 754 CB ASP A 51 6.361 8.473 -3.985 1.00 0.00 C ATOM 755 CG ASP A 51 5.079 7.666 -3.791 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.720 7.413 -2.618 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.470 7.311 -4.823 1.00 0.00 O ATOM 0 H ASP A 51 5.288 10.846 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 51 6.391 9.259 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.391 8.862 -5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.222 7.814 -3.871 1.00 0.00 H new ATOM 762 N ALA A 52 7.961 11.342 -3.951 1.00 0.00 N ATOM 763 CA ALA A 52 9.203 12.089 -4.115 1.00 0.00 C ATOM 764 C ALA A 52 8.942 13.424 -4.808 1.00 0.00 C ATOM 765 O ALA A 52 7.807 13.721 -5.185 1.00 0.00 O ATOM 766 CB ALA A 52 10.175 11.248 -4.941 1.00 0.00 C ATOM 0 H ALA A 52 7.194 11.684 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 52 9.632 12.298 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.109 11.795 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.373 10.309 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.737 11.040 -5.917 1.00 0.00 H new ATOM 772 N ALA A 53 9.984 14.242 -4.985 1.00 0.00 N ATOM 773 CA ALA A 53 9.850 15.536 -5.638 1.00 0.00 C ATOM 774 C ALA A 53 11.085 15.892 -6.466 1.00 0.00 C ATOM 775 O ALA A 53 12.136 15.272 -6.316 1.00 0.00 O ATOM 776 CB ALA A 53 9.592 16.599 -4.572 1.00 0.00 C ATOM 0 H ALA A 53 10.933 14.024 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 53 9.011 15.490 -6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.490 17.574 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.675 16.360 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.427 16.623 -3.872 1.00 0.00 H new ATOM 782 N ILE A 54 10.956 16.898 -7.340 1.00 0.00 N ATOM 783 CA ILE A 54 12.064 17.381 -8.157 1.00 0.00 C ATOM 784 C ILE A 54 12.213 18.885 -7.950 1.00 0.00 C ATOM 785 O ILE A 54 11.223 19.615 -7.984 1.00 0.00 O ATOM 786 CB ILE A 54 11.827 17.042 -9.634 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.752 15.520 -9.805 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.953 17.617 -10.499 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.517 15.102 -11.258 1.00 0.00 C ATOM 0 H ILE A 54 10.080 17.396 -7.497 1.00 0.00 H new ATOM 0 HA ILE A 54 12.989 16.890 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 54 10.885 17.486 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.679 15.072 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.947 15.127 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.772 17.369 -11.545 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.984 18.700 -10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.906 17.192 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.472 14.015 -11.321 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.576 15.525 -11.611 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.335 15.468 -11.879 1.00 0.00 H new ATOM 801 N LEU A 55 13.448 19.343 -7.734 1.00 0.00 N ATOM 802 CA LEU A 55 13.752 20.742 -7.476 1.00 0.00 C ATOM 803 C LEU A 55 14.524 21.332 -8.652 1.00 0.00 C ATOM 804 O LEU A 55 15.393 20.671 -9.217 1.00 0.00 O ATOM 805 CB LEU A 55 14.590 20.885 -6.200 1.00 0.00 C ATOM 806 CG LEU A 55 13.880 20.602 -4.868 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.686 21.529 -4.669 1.00 0.00 C ATOM 808 CD2 LEU A 55 13.401 19.159 -4.734 1.00 0.00 C ATOM 0 H LEU A 55 14.271 18.741 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 55 12.812 21.279 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.445 20.213 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.985 21.900 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 55 14.631 20.783 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.205 21.303 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.026 22.565 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.973 21.383 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.908 19.027 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.697 18.933 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.255 18.485 -4.800 1.00 0.00 H new ATOM 820 N ASP A 56 14.212 22.577 -9.018 1.00 0.00 N ATOM 821 CA ASP A 56 14.944 23.304 -10.046 1.00 0.00 C ATOM 822 C ASP A 56 15.826 24.374 -9.394 1.00 0.00 C ATOM 823 O ASP A 56 15.574 24.785 -8.263 1.00 0.00 O ATOM 824 CB ASP A 56 13.953 23.886 -11.057 1.00 0.00 C ATOM 825 CG ASP A 56 14.666 24.404 -12.303 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.825 23.613 -13.258 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.047 25.593 -12.297 1.00 0.00 O ATOM 0 H ASP A 56 13.443 23.106 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 56 15.609 22.634 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.230 23.121 -11.341 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.393 24.698 -10.593 1.00 0.00 H new ATOM 832 N VAL A 57 16.864 24.833 -10.098 1.00 0.00 N ATOM 833 CA VAL A 57 17.800 25.810 -9.547 1.00 0.00 C ATOM 834 C VAL A 57 17.379 27.255 -9.823 1.00 0.00 C ATOM 835 O VAL A 57 17.953 28.173 -9.244 1.00 0.00 O ATOM 836 CB VAL A 57 19.213 25.544 -10.074 1.00 0.00 C ATOM 837 CG1 VAL A 57 19.678 24.146 -9.671 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.276 25.682 -11.594 1.00 0.00 C ATOM 0 H VAL A 57 17.076 24.542 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 57 17.792 25.688 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 57 19.873 26.289 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.684 23.973 -10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.684 24.064 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 18.999 23.402 -10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.293 25.487 -11.935 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.595 24.965 -12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.985 26.693 -11.880 1.00 0.00 H new ATOM 848 N ASN A 58 16.392 27.467 -10.696 1.00 0.00 N ATOM 849 CA ASN A 58 15.968 28.803 -11.104 1.00 0.00 C ATOM 850 C ASN A 58 14.848 29.349 -10.214 1.00 0.00 C ATOM 851 O ASN A 58 14.153 30.285 -10.611 1.00 0.00 O ATOM 852 CB ASN A 58 15.570 28.805 -12.582 1.00 0.00 C ATOM 853 CG ASN A 58 16.732 28.402 -13.484 1.00 0.00 C ATOM 854 OD1 ASN A 58 17.443 29.256 -14.005 1.00 0.00 O ATOM 855 ND2 ASN A 58 16.932 27.100 -13.669 1.00 0.00 N ATOM 0 H ASN A 58 15.865 26.714 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 58 16.815 29.477 -10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.737 28.119 -12.735 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.220 29.798 -12.863 1.00 0.00 H new ATOM 0 HD21 ASN A 58 17.698 26.781 -14.262 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.319 26.421 -13.218 1.00 0.00 H new ATOM 862 N LEU A 59 14.657 28.782 -9.018 1.00 0.00 N ATOM 863 CA LEU A 59 13.622 29.236 -8.100 1.00 0.00 C ATOM 864 C LEU A 59 13.895 30.672 -7.652 1.00 0.00 C ATOM 865 O LEU A 59 15.049 31.088 -7.544 1.00 0.00 O ATOM 866 CB LEU A 59 13.538 28.298 -6.892 1.00 0.00 C ATOM 867 CG LEU A 59 13.124 26.879 -7.291 1.00 0.00 C ATOM 868 CD1 LEU A 59 13.175 25.974 -6.062 1.00 0.00 C ATOM 869 CD2 LEU A 59 11.708 26.852 -7.859 1.00 0.00 C ATOM 0 H LEU A 59 15.213 28.003 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 59 12.663 29.219 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.506 28.265 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.821 28.696 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 59 13.815 26.529 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.881 24.963 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.189 25.959 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.492 26.353 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.445 25.830 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.008 27.218 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.658 27.488 -8.743 1.00 0.00 H new ATOM 881 N ARG A 60 12.823 31.425 -7.388 1.00 0.00 N ATOM 882 CA ARG A 60 12.912 32.820 -6.980 1.00 0.00 C ATOM 883 C ARG A 60 13.190 32.961 -5.486 1.00 0.00 C ATOM 884 O ARG A 60 12.825 32.093 -4.694 1.00 0.00 O ATOM 885 CB ARG A 60 11.642 33.570 -7.395 1.00 0.00 C ATOM 886 CG ARG A 60 10.389 32.979 -6.744 1.00 0.00 C ATOM 887 CD ARG A 60 9.153 33.751 -7.202 1.00 0.00 C ATOM 888 NE ARG A 60 7.930 33.149 -6.661 1.00 0.00 N ATOM 889 CZ ARG A 60 7.319 33.534 -5.537 1.00 0.00 C ATOM 890 NH1 ARG A 60 7.799 34.531 -4.801 1.00 0.00 N ATOM 891 NH2 ARG A 60 6.212 32.912 -5.146 1.00 0.00 N ATOM 0 H ARG A 60 11.866 31.077 -7.453 1.00 0.00 H new ATOM 0 HA ARG A 60 13.761 33.271 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.734 34.620 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.538 33.535 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.291 31.927 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.476 33.025 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.227 34.789 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.108 33.760 -8.291 1.00 0.00 H new ATOM 0 HE ARG A 60 7.514 32.377 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.648 35.016 -5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.319 34.811 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.834 32.146 -5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.740 33.201 -4.289 1.00 0.00 H new ATOM 905 N GLY A 61 13.837 34.068 -5.116 1.00 0.00 N ATOM 906 CA GLY A 61 14.153 34.383 -3.730 1.00 0.00 C ATOM 907 C GLY A 61 15.467 35.153 -3.630 1.00 0.00 C ATOM 908 O GLY A 61 16.323 35.053 -4.509 1.00 0.00 O ATOM 0 H GLY A 61 14.157 34.774 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.347 34.974 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.222 33.462 -3.151 1.00 0.00 H new ATOM 912 N GLY A 62 15.630 35.928 -2.554 1.00 0.00 N ATOM 913 CA GLY A 62 16.857 36.676 -2.312 1.00 0.00 C ATOM 914 C GLY A 62 17.945 35.789 -1.712 1.00 0.00 C ATOM 915 O GLY A 62 19.111 36.179 -1.673 1.00 0.00 O ATOM 0 H GLY A 62 14.918 36.051 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.212 37.106 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.651 37.507 -1.637 1.00 0.00 H new ATOM 919 N GLU A 63 17.567 34.598 -1.243 1.00 0.00 N ATOM 920 CA GLU A 63 18.485 33.622 -0.674 1.00 0.00 C ATOM 921 C GLU A 63 18.307 32.279 -1.385 1.00 0.00 C ATOM 922 O GLU A 63 17.238 32.002 -1.933 1.00 0.00 O ATOM 923 CB GLU A 63 18.227 33.522 0.833 1.00 0.00 C ATOM 924 CG GLU A 63 19.272 32.649 1.534 1.00 0.00 C ATOM 925 CD GLU A 63 19.073 32.671 3.050 1.00 0.00 C ATOM 926 OE1 GLU A 63 18.206 31.909 3.531 1.00 0.00 O ATOM 927 OE2 GLU A 63 19.789 33.452 3.716 1.00 0.00 O ATOM 0 H GLU A 63 16.597 34.284 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 63 19.520 33.930 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.236 34.521 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.234 33.108 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.200 31.625 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.273 33.005 1.289 1.00 0.00 H new ATOM 934 N LYS A 64 19.349 31.445 -1.378 1.00 0.00 N ATOM 935 CA LYS A 64 19.310 30.134 -2.014 1.00 0.00 C ATOM 936 C LYS A 64 18.323 29.227 -1.273 1.00 0.00 C ATOM 937 O LYS A 64 18.185 29.323 -0.056 1.00 0.00 O ATOM 938 CB LYS A 64 20.723 29.550 -2.045 1.00 0.00 C ATOM 939 CG LYS A 64 20.770 28.258 -2.863 1.00 0.00 C ATOM 940 CD LYS A 64 22.179 27.657 -2.873 1.00 0.00 C ATOM 941 CE LYS A 64 23.209 28.614 -3.479 1.00 0.00 C ATOM 942 NZ LYS A 64 22.913 28.903 -4.896 1.00 0.00 N ATOM 0 H LYS A 64 20.240 31.662 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 64 18.960 30.219 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 64 21.411 30.279 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.060 29.352 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.067 27.536 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.451 28.461 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.473 27.407 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.172 26.726 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.220 29.545 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.205 28.178 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.707 29.427 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.776 28.010 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.047 29.476 -4.960 1.00 0.00 H new ATOM 956 N SER A 65 17.640 28.346 -2.009 1.00 0.00 N ATOM 957 CA SER A 65 16.622 27.465 -1.450 1.00 0.00 C ATOM 958 C SER A 65 16.923 25.990 -1.719 1.00 0.00 C ATOM 959 O SER A 65 16.130 25.121 -1.361 1.00 0.00 O ATOM 960 CB SER A 65 15.251 27.855 -2.004 1.00 0.00 C ATOM 961 OG SER A 65 15.239 27.716 -3.409 1.00 0.00 O ATOM 0 H SER A 65 17.781 28.227 -3.012 1.00 0.00 H new ATOM 0 HA SER A 65 16.624 27.589 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.479 27.226 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.019 28.884 -1.730 1.00 0.00 H new ATOM 0 HG SER A 65 14.357 27.966 -3.755 1.00 0.00 H new ATOM 967 N THR A 66 18.066 25.698 -2.348 1.00 0.00 N ATOM 968 CA THR A 66 18.472 24.330 -2.645 1.00 0.00 C ATOM 969 C THR A 66 18.701 23.494 -1.380 1.00 0.00 C ATOM 970 O THR A 66 18.387 22.306 -1.395 1.00 0.00 O ATOM 971 CB THR A 66 19.741 24.355 -3.499 1.00 0.00 C ATOM 972 OG1 THR A 66 19.581 25.273 -4.558 1.00 0.00 O ATOM 973 CG2 THR A 66 20.023 22.976 -4.089 1.00 0.00 C ATOM 0 H THR A 66 18.731 26.405 -2.663 1.00 0.00 H new ATOM 0 HA THR A 66 17.658 23.854 -3.192 1.00 0.00 H new ATOM 0 HB THR A 66 20.575 24.651 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.395 25.289 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.930 23.017 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 66 20.156 22.255 -3.282 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.185 22.669 -4.714 1.00 0.00 H new ATOM 981 N PRO A 67 19.232 24.060 -0.282 1.00 0.00 N ATOM 982 CA PRO A 67 19.432 23.334 0.965 1.00 0.00 C ATOM 983 C PRO A 67 18.148 22.739 1.544 1.00 0.00 C ATOM 984 O PRO A 67 18.219 21.899 2.439 1.00 0.00 O ATOM 985 CB PRO A 67 20.031 24.356 1.936 1.00 0.00 C ATOM 986 CG PRO A 67 20.704 25.371 1.017 1.00 0.00 C ATOM 987 CD PRO A 67 19.731 25.418 -0.156 1.00 0.00 C ATOM 0 HA PRO A 67 20.080 22.475 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.262 24.821 2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.747 23.893 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 67 20.817 26.344 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 67 21.699 25.049 0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.920 26.121 0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.229 25.742 -1.070 1.00 0.00 H new ATOM 995 N VAL A 68 16.978 23.155 1.050 1.00 0.00 N ATOM 996 CA VAL A 68 15.708 22.652 1.557 1.00 0.00 C ATOM 997 C VAL A 68 15.460 21.230 1.052 1.00 0.00 C ATOM 998 O VAL A 68 14.649 20.501 1.619 1.00 0.00 O ATOM 999 CB VAL A 68 14.579 23.612 1.158 1.00 0.00 C ATOM 1000 CG1 VAL A 68 13.240 23.166 1.747 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.868 25.016 1.690 1.00 0.00 C ATOM 0 H VAL A 68 16.889 23.839 0.299 1.00 0.00 H new ATOM 0 HA VAL A 68 15.738 22.605 2.646 1.00 0.00 H new ATOM 0 HB VAL A 68 14.525 23.611 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.460 23.865 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.995 22.169 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.310 23.145 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.060 25.688 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.942 24.985 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.808 25.377 1.272 1.00 0.00 H new ATOM 1011 N ALA A 69 16.156 20.812 -0.010 1.00 0.00 N ATOM 1012 CA ALA A 69 16.026 19.454 -0.508 1.00 0.00 C ATOM 1013 C ALA A 69 16.600 18.470 0.509 1.00 0.00 C ATOM 1014 O ALA A 69 16.204 17.310 0.555 1.00 0.00 O ATOM 1015 CB ALA A 69 16.760 19.342 -1.842 1.00 0.00 C ATOM 0 H ALA A 69 16.809 21.396 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 69 14.974 19.212 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.668 18.325 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.323 20.039 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.814 19.582 -1.699 1.00 0.00 H new ATOM 1021 N GLU A 70 17.541 18.927 1.339 1.00 0.00 N ATOM 1022 CA GLU A 70 18.152 18.087 2.356 1.00 0.00 C ATOM 1023 C GLU A 70 17.224 17.972 3.565 1.00 0.00 C ATOM 1024 O GLU A 70 17.390 17.073 4.388 1.00 0.00 O ATOM 1025 CB GLU A 70 19.531 18.643 2.712 1.00 0.00 C ATOM 1026 CG GLU A 70 20.432 18.559 1.477 1.00 0.00 C ATOM 1027 CD GLU A 70 21.768 19.263 1.689 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.805 18.564 1.668 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.740 20.501 1.867 1.00 0.00 O ATOM 0 H GLU A 70 17.895 19.884 1.321 1.00 0.00 H new ATOM 0 HA GLU A 70 18.299 17.075 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.446 19.677 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.965 18.076 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.610 17.512 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.920 19.005 0.625 1.00 0.00 H new ATOM 1036 N ALA A 71 16.246 18.876 3.680 1.00 0.00 N ATOM 1037 CA ALA A 71 15.219 18.767 4.703 1.00 0.00 C ATOM 1038 C ALA A 71 14.178 17.729 4.270 1.00 0.00 C ATOM 1039 O ALA A 71 13.491 17.148 5.109 1.00 0.00 O ATOM 1040 CB ALA A 71 14.587 20.140 4.933 1.00 0.00 C ATOM 0 H ALA A 71 16.150 19.690 3.073 1.00 0.00 H new ATOM 0 HA ALA A 71 15.654 18.434 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.816 20.062 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.353 20.843 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.140 20.495 4.004 1.00 0.00 H new ATOM 1046 N LEU A 72 14.055 17.485 2.959 1.00 0.00 N ATOM 1047 CA LEU A 72 13.227 16.396 2.465 1.00 0.00 C ATOM 1048 C LEU A 72 13.931 15.072 2.744 1.00 0.00 C ATOM 1049 O LEU A 72 13.276 14.057 2.959 1.00 0.00 O ATOM 1050 CB LEU A 72 12.973 16.562 0.962 1.00 0.00 C ATOM 1051 CG LEU A 72 12.200 17.841 0.625 1.00 0.00 C ATOM 1052 CD1 LEU A 72 12.044 17.943 -0.890 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.808 17.822 1.254 1.00 0.00 C ATOM 0 H LEU A 72 14.519 18.028 2.231 1.00 0.00 H new ATOM 0 HA LEU A 72 12.264 16.408 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.928 16.572 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.416 15.700 0.595 1.00 0.00 H new ATOM 0 HG LEU A 72 12.755 18.692 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.495 18.851 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.029 17.976 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.497 17.075 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.281 18.741 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.249 16.966 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.899 17.745 2.337 1.00 0.00 H new ATOM 1065 N ALA A 73 15.270 15.081 2.746 1.00 0.00 N ATOM 1066 CA ALA A 73 16.048 13.895 3.071 1.00 0.00 C ATOM 1067 C ALA A 73 15.995 13.620 4.574 1.00 0.00 C ATOM 1068 O ALA A 73 16.211 12.488 5.002 1.00 0.00 O ATOM 1069 CB ALA A 73 17.486 14.092 2.600 1.00 0.00 C ATOM 0 H ALA A 73 15.832 15.903 2.524 1.00 0.00 H new ATOM 0 HA ALA A 73 15.626 13.030 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.073 13.206 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.497 14.252 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.917 14.960 3.100 1.00 0.00 H new ATOM 1075 N ALA A 74 15.705 14.647 5.381 1.00 0.00 N ATOM 1076 CA ALA A 74 15.504 14.476 6.814 1.00 0.00 C ATOM 1077 C ALA A 74 14.111 13.894 7.076 1.00 0.00 C ATOM 1078 O ALA A 74 13.866 13.329 8.141 1.00 0.00 O ATOM 1079 CB ALA A 74 15.688 15.823 7.508 1.00 0.00 C ATOM 0 H ALA A 74 15.605 15.609 5.058 1.00 0.00 H new ATOM 0 HA ALA A 74 16.237 13.777 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.539 15.703 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.696 16.194 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.961 16.535 7.118 1.00 0.00 H new ATOM 1085 N ARG A 75 13.206 14.033 6.100 1.00 0.00 N ATOM 1086 CA ARG A 75 11.888 13.410 6.117 1.00 0.00 C ATOM 1087 C ARG A 75 11.924 12.049 5.422 1.00 0.00 C ATOM 1088 O ARG A 75 10.880 11.434 5.212 1.00 0.00 O ATOM 1089 CB ARG A 75 10.868 14.345 5.465 1.00 0.00 C ATOM 1090 CG ARG A 75 10.637 15.585 6.332 1.00 0.00 C ATOM 1091 CD ARG A 75 9.688 16.543 5.608 1.00 0.00 C ATOM 1092 NE ARG A 75 9.300 17.672 6.459 1.00 0.00 N ATOM 1093 CZ ARG A 75 10.096 18.692 6.784 1.00 0.00 C ATOM 1094 NH1 ARG A 75 11.351 18.752 6.352 1.00 0.00 N ATOM 1095 NH2 ARG A 75 9.630 19.669 7.555 1.00 0.00 N ATOM 0 H ARG A 75 13.377 14.592 5.264 1.00 0.00 H new ATOM 0 HA ARG A 75 11.586 13.238 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.222 14.646 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.926 13.817 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.215 15.296 7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.586 16.081 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.169 16.917 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.796 16.002 5.293 1.00 0.00 H new ATOM 0 HE ARG A 75 8.350 17.678 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.723 18.009 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.943 19.541 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.669 19.636 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.234 20.452 7.807 1.00 0.00 H new ATOM 1109 N ASP A 76 13.123 11.579 5.065 1.00 0.00 N ATOM 1110 CA ASP A 76 13.339 10.312 4.376 1.00 0.00 C ATOM 1111 C ASP A 76 12.614 10.239 3.025 1.00 0.00 C ATOM 1112 O ASP A 76 12.190 9.166 2.602 1.00 0.00 O ATOM 1113 CB ASP A 76 13.022 9.142 5.317 1.00 0.00 C ATOM 1114 CG ASP A 76 13.505 7.808 4.756 1.00 0.00 C ATOM 1115 OD1 ASP A 76 14.662 7.763 4.280 1.00 0.00 O ATOM 1116 OD2 ASP A 76 12.715 6.837 4.808 1.00 0.00 O ATOM 0 H ASP A 76 13.989 12.085 5.254 1.00 0.00 H new ATOM 0 HA ASP A 76 14.394 10.237 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.491 9.319 6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.946 9.095 5.487 1.00 0.00 H new ATOM 1121 N ILE A 77 12.473 11.384 2.348 1.00 0.00 N ATOM 1122 CA ILE A 77 11.873 11.452 1.020 1.00 0.00 C ATOM 1123 C ILE A 77 12.951 11.831 0.000 1.00 0.00 C ATOM 1124 O ILE A 77 13.632 12.842 0.173 1.00 0.00 O ATOM 1125 CB ILE A 77 10.714 12.456 1.020 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.622 11.979 1.986 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.144 12.606 -0.393 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.448 12.956 2.065 1.00 0.00 C ATOM 0 H ILE A 77 12.774 12.289 2.710 1.00 0.00 H new ATOM 0 HA ILE A 77 11.465 10.480 0.742 1.00 0.00 H new ATOM 0 HB ILE A 77 11.082 13.428 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.258 11.003 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.051 11.849 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.322 13.321 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.925 12.963 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.779 11.640 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.702 12.573 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.804 13.926 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.999 13.066 1.078 1.00 0.00 H new ATOM 1140 N PRO A 78 13.115 11.035 -1.067 1.00 0.00 N ATOM 1141 CA PRO A 78 14.126 11.261 -2.087 1.00 0.00 C ATOM 1142 C PRO A 78 13.727 12.382 -3.045 1.00 0.00 C ATOM 1143 O PRO A 78 12.556 12.753 -3.144 1.00 0.00 O ATOM 1144 CB PRO A 78 14.252 9.924 -2.814 1.00 0.00 C ATOM 1145 CG PRO A 78 12.831 9.373 -2.738 1.00 0.00 C ATOM 1146 CD PRO A 78 12.355 9.833 -1.360 1.00 0.00 C ATOM 0 HA PRO A 78 15.072 11.583 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.583 10.052 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.970 9.264 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.202 9.769 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.814 8.287 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.284 10.037 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.531 9.064 -0.607 1.00 0.00 H new ATOM 1154 N PHE A 79 14.720 12.923 -3.757 1.00 0.00 N ATOM 1155 CA PHE A 79 14.502 14.003 -4.701 1.00 0.00 C ATOM 1156 C PHE A 79 15.547 13.979 -5.814 1.00 0.00 C ATOM 1157 O PHE A 79 16.523 13.234 -5.751 1.00 0.00 O ATOM 1158 CB PHE A 79 14.558 15.337 -3.959 1.00 0.00 C ATOM 1159 CG PHE A 79 15.897 15.603 -3.306 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.919 16.243 -4.023 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.115 15.207 -1.980 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.157 16.488 -3.412 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.348 15.461 -1.369 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.365 16.106 -2.080 1.00 0.00 C ATOM 0 H PHE A 79 15.692 12.620 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 79 13.521 13.876 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.336 16.143 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.780 15.353 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.752 16.547 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.332 14.706 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.948 16.970 -3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.515 15.158 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.312 16.310 -1.602 1.00 0.00 H new ATOM 1174 N VAL A 80 15.326 14.811 -6.837 1.00 0.00 N ATOM 1175 CA VAL A 80 16.223 14.955 -7.975 1.00 0.00 C ATOM 1176 C VAL A 80 16.340 16.436 -8.329 1.00 0.00 C ATOM 1177 O VAL A 80 15.401 17.200 -8.109 1.00 0.00 O ATOM 1178 CB VAL A 80 15.691 14.138 -9.164 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.640 14.191 -10.357 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.505 12.672 -8.772 1.00 0.00 C ATOM 0 H VAL A 80 14.503 15.411 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 80 17.214 14.575 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 80 14.735 14.581 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.228 13.601 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.762 15.225 -10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.609 13.784 -10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.128 12.112 -9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.462 12.255 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.792 12.603 -7.950 1.00 0.00 H new ATOM 1190 N PHE A 81 17.486 16.848 -8.874 1.00 0.00 N ATOM 1191 CA PHE A 81 17.703 18.230 -9.280 1.00 0.00 C ATOM 1192 C PHE A 81 17.377 18.433 -10.759 1.00 0.00 C ATOM 1193 O PHE A 81 17.294 17.475 -11.525 1.00 0.00 O ATOM 1194 CB PHE A 81 19.156 18.630 -9.027 1.00 0.00 C ATOM 1195 CG PHE A 81 19.587 18.719 -7.581 1.00 0.00 C ATOM 1196 CD1 PHE A 81 18.761 19.305 -6.610 1.00 0.00 C ATOM 1197 CD2 PHE A 81 20.850 18.232 -7.215 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.206 19.422 -5.285 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.303 18.365 -5.897 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.481 18.963 -4.932 1.00 0.00 C ATOM 0 H PHE A 81 18.283 16.234 -9.044 1.00 0.00 H new ATOM 0 HA PHE A 81 17.037 18.857 -8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 81 19.801 17.911 -9.532 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.330 19.599 -9.496 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.781 19.667 -6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 81 21.476 17.752 -7.953 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.566 19.866 -4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.285 18.007 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.831 19.070 -3.916 1.00 0.00 H new ATOM 1210 N ALA A 82 17.202 19.693 -11.162 1.00 0.00 N ATOM 1211 CA ALA A 82 17.022 20.073 -12.551 1.00 0.00 C ATOM 1212 C ALA A 82 17.782 21.373 -12.813 1.00 0.00 C ATOM 1213 O ALA A 82 17.612 22.354 -12.089 1.00 0.00 O ATOM 1214 CB ALA A 82 15.529 20.219 -12.851 1.00 0.00 C ATOM 0 H ALA A 82 17.182 20.484 -10.518 1.00 0.00 H new ATOM 0 HA ALA A 82 17.420 19.304 -13.213 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.394 20.504 -13.894 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.026 19.270 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.102 20.987 -12.206 1.00 0.00 H new ATOM 1220 N THR A 83 18.624 21.377 -13.849 1.00 0.00 N ATOM 1221 CA THR A 83 19.460 22.525 -14.181 1.00 0.00 C ATOM 1222 C THR A 83 19.936 22.440 -15.630 1.00 0.00 C ATOM 1223 O THR A 83 19.761 21.412 -16.287 1.00 0.00 O ATOM 1224 CB THR A 83 20.661 22.562 -13.227 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.430 23.722 -13.460 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.556 21.336 -13.394 1.00 0.00 C ATOM 0 H THR A 83 18.743 20.583 -14.479 1.00 0.00 H new ATOM 0 HA THR A 83 18.878 23.440 -14.070 1.00 0.00 H new ATOM 0 HB THR A 83 20.266 22.568 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.193 23.738 -12.845 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.395 21.401 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.981 20.434 -13.185 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.932 21.297 -14.416 1.00 0.00 H new ATOM 1234 N GLY A 84 20.541 23.519 -16.129 1.00 0.00 N ATOM 1235 CA GLY A 84 21.102 23.575 -17.469 1.00 0.00 C ATOM 1236 C GLY A 84 22.303 24.517 -17.492 1.00 0.00 C ATOM 1237 O GLY A 84 22.234 25.628 -16.967 1.00 0.00 O ATOM 0 H GLY A 84 20.654 24.386 -15.603 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.405 22.578 -17.787 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.346 23.919 -18.175 1.00 0.00 H new ATOM 1241 N GLY A 85 23.402 24.066 -18.101 1.00 0.00 N ATOM 1242 CA GLY A 85 24.642 24.828 -18.168 1.00 0.00 C ATOM 1243 C GLY A 85 25.841 23.884 -18.236 1.00 0.00 C ATOM 1244 O GLY A 85 25.690 22.711 -18.583 1.00 0.00 O ATOM 0 H GLY A 85 23.453 23.158 -18.562 1.00 0.00 H new ATOM 0 HA2 GLY A 85 24.631 25.477 -19.044 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.728 25.474 -17.294 1.00 0.00 H new ATOM 1248 N SER A 86 27.030 24.390 -17.903 1.00 0.00 N ATOM 1249 CA SER A 86 28.232 23.570 -17.867 1.00 0.00 C ATOM 1250 C SER A 86 28.191 22.634 -16.661 1.00 0.00 C ATOM 1251 O SER A 86 27.614 22.975 -15.629 1.00 0.00 O ATOM 1252 CB SER A 86 29.467 24.464 -17.820 1.00 0.00 C ATOM 1253 OG SER A 86 30.639 23.675 -17.778 1.00 0.00 O ATOM 0 H SER A 86 27.181 25.368 -17.654 1.00 0.00 H new ATOM 0 HA SER A 86 28.281 22.961 -18.770 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.488 25.114 -18.695 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.424 25.111 -16.944 1.00 0.00 H new ATOM 0 HG SER A 86 31.426 24.259 -17.750 1.00 0.00 H new ATOM 1259 N ASP A 87 28.804 21.453 -16.786 1.00 0.00 N ATOM 1260 CA ASP A 87 28.798 20.453 -15.727 1.00 0.00 C ATOM 1261 C ASP A 87 29.758 20.817 -14.593 1.00 0.00 C ATOM 1262 O ASP A 87 29.781 20.137 -13.569 1.00 0.00 O ATOM 1263 CB ASP A 87 29.150 19.086 -16.323 1.00 0.00 C ATOM 1264 CG ASP A 87 28.124 18.657 -17.369 1.00 0.00 C ATOM 1265 OD1 ASP A 87 27.025 18.218 -16.959 1.00 0.00 O ATOM 1266 OD2 ASP A 87 28.448 18.773 -18.573 1.00 0.00 O ATOM 0 H ASP A 87 29.315 21.169 -17.622 1.00 0.00 H new ATOM 0 HA ASP A 87 27.799 20.415 -15.292 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.140 19.129 -16.777 1.00 0.00 H new ATOM 0 HB3 ASP A 87 29.196 18.341 -15.528 1.00 0.00 H new ATOM 1271 N ASP A 88 30.549 21.880 -14.770 1.00 0.00 N ATOM 1272 CA ASP A 88 31.485 22.342 -13.756 1.00 0.00 C ATOM 1273 C ASP A 88 31.036 23.675 -13.153 1.00 0.00 C ATOM 1274 O ASP A 88 31.743 24.255 -12.329 1.00 0.00 O ATOM 1275 CB ASP A 88 32.893 22.414 -14.350 1.00 0.00 C ATOM 1276 CG ASP A 88 33.948 22.671 -13.275 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.787 23.575 -13.492 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.905 21.965 -12.241 1.00 0.00 O ATOM 0 H ASP A 88 30.554 22.440 -15.622 1.00 0.00 H new ATOM 0 HA ASP A 88 31.504 21.627 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.119 21.480 -14.865 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.933 23.208 -15.096 1.00 0.00 H new ATOM 1283 N SER A 89 29.860 24.164 -13.561 1.00 0.00 N ATOM 1284 CA SER A 89 29.304 25.419 -13.081 1.00 0.00 C ATOM 1285 C SER A 89 28.276 25.171 -11.975 1.00 0.00 C ATOM 1286 O SER A 89 27.530 26.071 -11.597 1.00 0.00 O ATOM 1287 CB SER A 89 28.715 26.190 -14.263 1.00 0.00 C ATOM 1288 OG SER A 89 28.395 27.513 -13.882 1.00 0.00 O ATOM 0 H SER A 89 29.267 23.689 -14.241 1.00 0.00 H new ATOM 0 HA SER A 89 30.092 26.027 -12.637 1.00 0.00 H new ATOM 0 HB2 SER A 89 29.429 26.205 -15.087 1.00 0.00 H new ATOM 0 HB3 SER A 89 27.821 25.683 -14.626 1.00 0.00 H new ATOM 0 HG SER A 89 27.992 27.508 -12.989 1.00 0.00 H new ATOM 1294 N VAL A 90 28.236 23.940 -11.452 1.00 0.00 N ATOM 1295 CA VAL A 90 27.276 23.529 -10.437 1.00 0.00 C ATOM 1296 C VAL A 90 28.018 22.961 -9.225 1.00 0.00 C ATOM 1297 O VAL A 90 29.136 22.462 -9.358 1.00 0.00 O ATOM 1298 CB VAL A 90 26.285 22.530 -11.048 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.155 22.227 -10.070 1.00 0.00 C ATOM 1300 CG2 VAL A 90 25.656 23.096 -12.323 1.00 0.00 C ATOM 0 H VAL A 90 28.879 23.198 -11.729 1.00 0.00 H new ATOM 0 HA VAL A 90 26.700 24.385 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 90 26.844 21.622 -11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.463 21.517 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 90 25.569 21.799 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.624 23.148 -9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 90 24.957 22.369 -12.737 1.00 0.00 H new ATOM 0 HG22 VAL A 90 25.124 24.018 -12.088 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.438 23.304 -13.053 1.00 0.00 H new ATOM 1310 N ASP A 91 27.406 23.033 -8.043 1.00 0.00 N ATOM 1311 CA ASP A 91 28.039 22.623 -6.792 1.00 0.00 C ATOM 1312 C ASP A 91 28.143 21.098 -6.662 1.00 0.00 C ATOM 1313 O ASP A 91 27.426 20.349 -7.329 1.00 0.00 O ATOM 1314 CB ASP A 91 27.268 23.234 -5.620 1.00 0.00 C ATOM 1315 CG ASP A 91 27.966 22.965 -4.289 1.00 0.00 C ATOM 1316 OD1 ASP A 91 29.028 23.585 -4.064 1.00 0.00 O ATOM 1317 OD2 ASP A 91 27.431 22.141 -3.514 1.00 0.00 O ATOM 0 H ASP A 91 26.453 23.379 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 91 29.064 22.993 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.169 24.309 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 91 26.259 22.822 -5.593 1.00 0.00 H new ATOM 1322 N SER A 92 29.047 20.635 -5.794 1.00 0.00 N ATOM 1323 CA SER A 92 29.327 19.216 -5.621 1.00 0.00 C ATOM 1324 C SER A 92 28.122 18.434 -5.106 1.00 0.00 C ATOM 1325 O SER A 92 28.099 17.209 -5.218 1.00 0.00 O ATOM 1326 CB SER A 92 30.515 19.050 -4.673 1.00 0.00 C ATOM 1327 OG SER A 92 30.205 19.602 -3.410 1.00 0.00 O ATOM 0 H SER A 92 29.605 21.240 -5.192 1.00 0.00 H new ATOM 0 HA SER A 92 29.566 18.803 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.762 17.994 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.394 19.542 -5.089 1.00 0.00 H new ATOM 0 HG SER A 92 30.970 19.490 -2.808 1.00 0.00 H new ATOM 1333 N ARG A 93 27.110 19.108 -4.547 1.00 0.00 N ATOM 1334 CA ARG A 93 25.900 18.430 -4.092 1.00 0.00 C ATOM 1335 C ARG A 93 25.116 17.886 -5.287 1.00 0.00 C ATOM 1336 O ARG A 93 24.406 16.893 -5.156 1.00 0.00 O ATOM 1337 CB ARG A 93 25.067 19.382 -3.229 1.00 0.00 C ATOM 1338 CG ARG A 93 24.593 20.596 -4.032 1.00 0.00 C ATOM 1339 CD ARG A 93 24.028 21.682 -3.117 1.00 0.00 C ATOM 1340 NE ARG A 93 22.709 21.315 -2.590 1.00 0.00 N ATOM 1341 CZ ARG A 93 22.436 21.065 -1.305 1.00 0.00 C ATOM 1342 NH1 ARG A 93 23.395 21.047 -0.383 1.00 0.00 N ATOM 1343 NH2 ARG A 93 21.183 20.831 -0.928 1.00 0.00 N ATOM 0 H ARG A 93 27.109 20.118 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 93 26.167 17.574 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 93 24.204 18.850 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.660 19.716 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 93 25.425 21.000 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 93 23.830 20.287 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 93 24.716 21.854 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.952 22.619 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 93 21.940 21.245 -3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.363 21.226 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.162 20.854 0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 93 20.432 20.842 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 93 20.972 20.640 0.052 1.00 0.00 H new ATOM 1357 N PHE A 94 25.247 18.529 -6.452 1.00 0.00 N ATOM 1358 CA PHE A 94 24.617 18.062 -7.681 1.00 0.00 C ATOM 1359 C PHE A 94 25.510 17.024 -8.352 1.00 0.00 C ATOM 1360 O PHE A 94 25.037 16.231 -9.164 1.00 0.00 O ATOM 1361 CB PHE A 94 24.413 19.234 -8.639 1.00 0.00 C ATOM 1362 CG PHE A 94 23.533 20.349 -8.130 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.222 20.479 -8.604 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.032 21.266 -7.191 1.00 0.00 C ATOM 1365 CE1 PHE A 94 21.401 21.511 -8.129 1.00 0.00 C ATOM 1366 CE2 PHE A 94 23.214 22.301 -6.719 1.00 0.00 C ATOM 1367 CZ PHE A 94 21.897 22.421 -7.185 1.00 0.00 C ATOM 0 H PHE A 94 25.792 19.384 -6.564 1.00 0.00 H new ATOM 0 HA PHE A 94 23.652 17.618 -7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.389 19.651 -8.887 1.00 0.00 H new ATOM 0 HB3 PHE A 94 23.985 18.852 -9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 94 21.843 19.783 -9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.047 21.174 -6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 94 20.387 21.605 -8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 94 23.598 23.006 -5.997 1.00 0.00 H new ATOM 0 HZ PHE A 94 21.264 23.215 -6.816 1.00 0.00 H new ATOM 1377 N ARG A 95 26.804 17.028 -8.014 1.00 0.00 N ATOM 1378 CA ARG A 95 27.747 16.049 -8.542 1.00 0.00 C ATOM 1379 C ARG A 95 27.710 14.758 -7.722 1.00 0.00 C ATOM 1380 O ARG A 95 28.330 13.772 -8.111 1.00 0.00 O ATOM 1381 CB ARG A 95 29.156 16.643 -8.563 1.00 0.00 C ATOM 1382 CG ARG A 95 29.187 18.015 -9.241 1.00 0.00 C ATOM 1383 CD ARG A 95 30.629 18.524 -9.268 1.00 0.00 C ATOM 1384 NE ARG A 95 30.681 19.953 -9.601 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.687 20.552 -10.246 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.729 19.862 -10.699 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.655 21.864 -10.442 1.00 0.00 N ATOM 0 H ARG A 95 27.219 17.704 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 95 27.458 15.800 -9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.527 16.734 -7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.829 15.964 -9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.794 17.943 -10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.550 18.716 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.095 18.357 -8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.204 17.956 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 95 29.890 20.532 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.773 18.853 -10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.485 20.342 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 95 30.865 22.411 -10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.421 22.325 -10.934 1.00 0.00 H new ATOM 1401 N ASP A 96 26.987 14.768 -6.597 1.00 0.00 N ATOM 1402 CA ASP A 96 26.871 13.613 -5.716 1.00 0.00 C ATOM 1403 C ASP A 96 25.424 13.126 -5.590 1.00 0.00 C ATOM 1404 O ASP A 96 25.186 12.056 -5.032 1.00 0.00 O ATOM 1405 CB ASP A 96 27.466 13.981 -4.351 1.00 0.00 C ATOM 1406 CG ASP A 96 27.515 12.775 -3.416 1.00 0.00 C ATOM 1407 OD1 ASP A 96 28.248 11.817 -3.744 1.00 0.00 O ATOM 1408 OD2 ASP A 96 26.820 12.822 -2.378 1.00 0.00 O ATOM 0 H ASP A 96 26.466 15.584 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 96 27.427 12.780 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.472 14.378 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.870 14.772 -3.895 1.00 0.00 H new ATOM 1413 N ARG A 97 24.453 13.897 -6.102 1.00 0.00 N ATOM 1414 CA ARG A 97 23.044 13.518 -6.084 1.00 0.00 C ATOM 1415 C ARG A 97 22.459 13.559 -7.495 1.00 0.00 C ATOM 1416 O ARG A 97 22.990 14.260 -8.355 1.00 0.00 O ATOM 1417 CB ARG A 97 22.270 14.443 -5.136 1.00 0.00 C ATOM 1418 CG ARG A 97 22.793 14.316 -3.705 1.00 0.00 C ATOM 1419 CD ARG A 97 22.002 15.236 -2.779 1.00 0.00 C ATOM 1420 NE ARG A 97 22.452 15.097 -1.389 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.710 16.116 -0.565 1.00 0.00 C ATOM 1422 NH1 ARG A 97 22.587 17.379 -0.967 1.00 0.00 N ATOM 1423 NH2 ARG A 97 23.095 15.884 0.685 1.00 0.00 N ATOM 0 H ARG A 97 24.630 14.801 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 97 22.954 12.495 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.364 15.476 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.209 14.194 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.706 13.283 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.851 14.574 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.120 16.271 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.940 15.000 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 97 22.577 14.152 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.290 17.584 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.789 18.142 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.194 14.925 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 97 23.291 16.665 1.311 1.00 0.00 H new ATOM 1437 N PRO A 98 21.371 12.817 -7.751 1.00 0.00 N ATOM 1438 CA PRO A 98 20.721 12.763 -9.049 1.00 0.00 C ATOM 1439 C PRO A 98 20.342 14.145 -9.581 1.00 0.00 C ATOM 1440 O PRO A 98 19.959 15.032 -8.818 1.00 0.00 O ATOM 1441 CB PRO A 98 19.478 11.897 -8.842 1.00 0.00 C ATOM 1442 CG PRO A 98 19.856 11.010 -7.659 1.00 0.00 C ATOM 1443 CD PRO A 98 20.698 11.951 -6.802 1.00 0.00 C ATOM 0 HA PRO A 98 21.396 12.350 -9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.598 12.503 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.248 11.307 -9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.977 10.650 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.420 10.132 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.075 12.525 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.414 11.398 -6.195 1.00 0.00 H new ATOM 1451 N VAL A 99 20.450 14.320 -10.902 1.00 0.00 N ATOM 1452 CA VAL A 99 20.155 15.578 -11.571 1.00 0.00 C ATOM 1453 C VAL A 99 19.684 15.314 -13.001 1.00 0.00 C ATOM 1454 O VAL A 99 20.030 14.294 -13.595 1.00 0.00 O ATOM 1455 CB VAL A 99 21.396 16.482 -11.532 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.601 15.821 -12.202 1.00 0.00 C ATOM 1457 CG2 VAL A 99 21.132 17.833 -12.197 1.00 0.00 C ATOM 0 H VAL A 99 20.748 13.580 -11.538 1.00 0.00 H new ATOM 0 HA VAL A 99 19.347 16.094 -11.053 1.00 0.00 H new ATOM 0 HB VAL A 99 21.622 16.643 -10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.458 16.493 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.839 14.891 -11.686 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.366 15.608 -13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 99 22.033 18.444 -12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 99 20.854 17.677 -13.239 1.00 0.00 H new ATOM 0 HG23 VAL A 99 20.320 18.342 -11.677 1.00 0.00 H new ATOM 1467 N LEU A 100 18.893 16.239 -13.548 1.00 0.00 N ATOM 1468 CA LEU A 100 18.339 16.143 -14.889 1.00 0.00 C ATOM 1469 C LEU A 100 18.587 17.448 -15.650 1.00 0.00 C ATOM 1470 O LEU A 100 18.754 18.504 -15.042 1.00 0.00 O ATOM 1471 CB LEU A 100 16.844 15.813 -14.774 1.00 0.00 C ATOM 1472 CG LEU A 100 16.160 15.571 -16.123 1.00 0.00 C ATOM 1473 CD1 LEU A 100 16.782 14.384 -16.858 1.00 0.00 C ATOM 1474 CD2 LEU A 100 14.682 15.275 -15.880 1.00 0.00 C ATOM 0 H LEU A 100 18.618 17.090 -13.057 1.00 0.00 H new ATOM 0 HA LEU A 100 18.826 15.348 -15.454 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.724 14.926 -14.152 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.339 16.632 -14.262 1.00 0.00 H new ATOM 0 HG LEU A 100 16.286 16.463 -16.737 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.274 14.239 -17.811 1.00 0.00 H new ATOM 0 HD12 LEU A 100 17.839 14.580 -17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 100 16.677 13.485 -16.251 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.184 15.101 -16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.587 14.388 -15.254 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.218 16.125 -15.379 1.00 0.00 H new ATOM 1486 N GLN A 101 18.611 17.370 -16.985 1.00 0.00 N ATOM 1487 CA GLN A 101 18.855 18.518 -17.842 1.00 0.00 C ATOM 1488 C GLN A 101 17.632 19.436 -17.886 1.00 0.00 C ATOM 1489 O GLN A 101 16.548 19.060 -17.441 1.00 0.00 O ATOM 1490 CB GLN A 101 19.220 18.034 -19.247 1.00 0.00 C ATOM 1491 CG GLN A 101 20.503 17.200 -19.226 1.00 0.00 C ATOM 1492 CD GLN A 101 20.913 16.750 -20.624 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.263 17.067 -21.617 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.008 15.997 -20.716 1.00 0.00 N ATOM 0 H GLN A 101 18.460 16.501 -17.497 1.00 0.00 H new ATOM 0 HA GLN A 101 19.685 19.095 -17.435 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.402 17.439 -19.654 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.350 18.891 -19.908 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.309 17.785 -18.782 1.00 0.00 H new ATOM 0 HG3 GLN A 101 20.357 16.326 -18.592 1.00 0.00 H new ATOM 0 HE21 GLN A 101 22.529 15.749 -19.875 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.326 15.669 -21.628 1.00 0.00 H new ATOM 1503 N LYS A 102 17.811 20.649 -18.421 1.00 0.00 N ATOM 1504 CA LYS A 102 16.755 21.649 -18.485 1.00 0.00 C ATOM 1505 C LYS A 102 15.730 21.340 -19.588 1.00 0.00 C ATOM 1506 O LYS A 102 14.536 21.404 -19.311 1.00 0.00 O ATOM 1507 CB LYS A 102 17.387 23.035 -18.642 1.00 0.00 C ATOM 1508 CG LYS A 102 16.390 24.179 -18.452 1.00 0.00 C ATOM 1509 CD LYS A 102 15.788 24.166 -17.046 1.00 0.00 C ATOM 1510 CE LYS A 102 15.103 25.503 -16.775 1.00 0.00 C ATOM 1511 NZ LYS A 102 14.472 25.517 -15.444 1.00 0.00 N ATOM 0 H LYS A 102 18.697 20.959 -18.821 1.00 0.00 H new ATOM 0 HA LYS A 102 16.189 21.628 -17.553 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.195 23.142 -17.918 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.834 23.113 -19.633 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.889 25.132 -18.627 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.593 24.096 -19.191 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.070 23.352 -16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.568 23.988 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.833 26.309 -16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.349 25.690 -17.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.692 26.414 -14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.441 25.423 -15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.837 24.724 -14.878 1.00 0.00 H new ATOM 1525 N PRO A 103 16.145 21.010 -20.823 1.00 0.00 N ATOM 1526 CA PRO A 103 15.235 20.548 -21.858 1.00 0.00 C ATOM 1527 C PRO A 103 14.886 19.076 -21.644 1.00 0.00 C ATOM 1528 O PRO A 103 15.567 18.383 -20.890 1.00 0.00 O ATOM 1529 CB PRO A 103 15.996 20.745 -23.167 1.00 0.00 C ATOM 1530 CG PRO A 103 17.438 20.467 -22.747 1.00 0.00 C ATOM 1531 CD PRO A 103 17.504 21.058 -21.338 1.00 0.00 C ATOM 0 HA PRO A 103 14.291 21.092 -21.853 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.658 20.057 -23.942 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.874 21.754 -23.561 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.660 19.400 -22.748 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.153 20.942 -23.418 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.182 20.485 -20.705 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.877 22.082 -21.361 1.00 0.00 H new ATOM 1539 N PHE A 104 13.827 18.596 -22.306 1.00 0.00 N ATOM 1540 CA PHE A 104 13.396 17.209 -22.181 1.00 0.00 C ATOM 1541 C PHE A 104 13.101 16.601 -23.553 1.00 0.00 C ATOM 1542 O PHE A 104 12.848 17.319 -24.521 1.00 0.00 O ATOM 1543 CB PHE A 104 12.136 17.113 -21.311 1.00 0.00 C ATOM 1544 CG PHE A 104 12.148 17.956 -20.056 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.103 18.861 -19.823 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.195 17.838 -19.133 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.144 19.700 -18.700 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.225 18.663 -18.000 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.208 19.606 -17.794 1.00 0.00 C ATOM 0 H PHE A 104 13.253 19.156 -22.936 1.00 0.00 H new ATOM 0 HA PHE A 104 14.208 16.654 -21.711 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.276 17.402 -21.914 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.990 16.071 -21.027 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.268 18.912 -20.507 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.978 17.112 -19.294 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.355 20.419 -18.534 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.031 18.572 -17.287 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.245 20.261 -16.936 1.00 0.00 H new ATOM 1559 N THR A 105 13.134 15.269 -23.621 1.00 0.00 N ATOM 1560 CA THR A 105 12.764 14.503 -24.803 1.00 0.00 C ATOM 1561 C THR A 105 12.033 13.248 -24.343 1.00 0.00 C ATOM 1562 O THR A 105 12.179 12.836 -23.194 1.00 0.00 O ATOM 1563 CB THR A 105 14.001 14.123 -25.624 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.887 13.365 -24.832 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.737 15.366 -26.134 1.00 0.00 C ATOM 0 H THR A 105 13.425 14.685 -22.837 1.00 0.00 H new ATOM 0 HA THR A 105 12.120 15.107 -25.443 1.00 0.00 H new ATOM 0 HB THR A 105 13.663 13.539 -26.480 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.675 13.123 -25.362 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.609 15.061 -26.712 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.069 15.951 -26.766 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.058 15.972 -25.287 1.00 0.00 H new ATOM 1573 N MET A 106 11.246 12.628 -25.225 1.00 0.00 N ATOM 1574 CA MET A 106 10.462 11.459 -24.842 1.00 0.00 C ATOM 1575 C MET A 106 11.368 10.284 -24.476 1.00 0.00 C ATOM 1576 O MET A 106 10.983 9.434 -23.676 1.00 0.00 O ATOM 1577 CB MET A 106 9.519 11.078 -25.985 1.00 0.00 C ATOM 1578 CG MET A 106 8.515 12.203 -26.249 1.00 0.00 C ATOM 1579 SD MET A 106 7.310 11.832 -27.546 1.00 0.00 S ATOM 1580 CE MET A 106 6.367 13.377 -27.496 1.00 0.00 C ATOM 0 H MET A 106 11.137 12.914 -26.198 1.00 0.00 H new ATOM 0 HA MET A 106 9.873 11.707 -23.959 1.00 0.00 H new ATOM 0 HB2 MET A 106 10.095 10.877 -26.888 1.00 0.00 H new ATOM 0 HB3 MET A 106 8.988 10.160 -25.735 1.00 0.00 H new ATOM 0 HG2 MET A 106 7.981 12.423 -25.324 1.00 0.00 H new ATOM 0 HG3 MET A 106 9.061 13.105 -26.524 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.567 13.339 -28.236 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.937 13.509 -26.503 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.028 14.214 -27.719 1.00 0.00 H new ATOM 1590 N ASP A 107 12.570 10.232 -25.058 1.00 0.00 N ATOM 1591 CA ASP A 107 13.539 9.191 -24.742 1.00 0.00 C ATOM 1592 C ASP A 107 14.342 9.563 -23.496 1.00 0.00 C ATOM 1593 O ASP A 107 14.848 8.688 -22.796 1.00 0.00 O ATOM 1594 CB ASP A 107 14.453 8.994 -25.952 1.00 0.00 C ATOM 1595 CG ASP A 107 15.458 7.871 -25.716 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.021 6.699 -25.671 1.00 0.00 O ATOM 1597 OD2 ASP A 107 16.660 8.196 -25.582 1.00 0.00 O ATOM 0 H ASP A 107 12.892 10.905 -25.754 1.00 0.00 H new ATOM 0 HA ASP A 107 13.023 8.256 -24.524 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.850 8.766 -26.831 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.985 9.922 -26.162 1.00 0.00 H new ATOM 1602 N GLY A 108 14.464 10.863 -23.210 1.00 0.00 N ATOM 1603 CA GLY A 108 15.221 11.344 -22.068 1.00 0.00 C ATOM 1604 C GLY A 108 14.451 11.150 -20.766 1.00 0.00 C ATOM 1605 O GLY A 108 15.040 10.775 -19.757 1.00 0.00 O ATOM 0 H GLY A 108 14.039 11.604 -23.767 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.172 10.815 -22.012 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.451 12.401 -22.202 1.00 0.00 H new ATOM 1609 N VAL A 109 13.136 11.396 -20.782 1.00 0.00 N ATOM 1610 CA VAL A 109 12.315 11.204 -19.594 1.00 0.00 C ATOM 1611 C VAL A 109 12.072 9.721 -19.329 1.00 0.00 C ATOM 1612 O VAL A 109 11.766 9.347 -18.200 1.00 0.00 O ATOM 1613 CB VAL A 109 10.986 11.960 -19.712 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.248 13.454 -19.906 1.00 0.00 C ATOM 1615 CG2 VAL A 109 10.138 11.421 -20.865 1.00 0.00 C ATOM 0 H VAL A 109 12.626 11.726 -21.601 1.00 0.00 H new ATOM 0 HA VAL A 109 12.861 11.614 -18.745 1.00 0.00 H new ATOM 0 HB VAL A 109 10.430 11.809 -18.787 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.298 13.982 -19.989 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.805 13.840 -19.052 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.828 13.606 -20.816 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.203 11.979 -20.921 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.684 11.533 -21.802 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.922 10.366 -20.695 1.00 0.00 H new ATOM 1625 N ALA A 110 12.202 8.867 -20.353 1.00 0.00 N ATOM 1626 CA ALA A 110 12.040 7.435 -20.176 1.00 0.00 C ATOM 1627 C ALA A 110 13.296 6.830 -19.544 1.00 0.00 C ATOM 1628 O ALA A 110 13.204 5.851 -18.802 1.00 0.00 O ATOM 1629 CB ALA A 110 11.746 6.797 -21.534 1.00 0.00 C ATOM 0 H ALA A 110 12.419 9.152 -21.308 1.00 0.00 H new ATOM 0 HA ALA A 110 11.206 7.239 -19.502 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.623 5.721 -21.411 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.831 7.223 -21.945 1.00 0.00 H new ATOM 0 HB3 ALA A 110 12.575 6.992 -22.215 1.00 0.00 H new ATOM 1635 N LYS A 111 14.466 7.410 -19.832 1.00 0.00 N ATOM 1636 CA LYS A 111 15.721 6.962 -19.252 1.00 0.00 C ATOM 1637 C LYS A 111 15.896 7.558 -17.856 1.00 0.00 C ATOM 1638 O LYS A 111 16.498 6.935 -16.986 1.00 0.00 O ATOM 1639 CB LYS A 111 16.863 7.364 -20.189 1.00 0.00 C ATOM 1640 CG LYS A 111 18.240 6.915 -19.679 1.00 0.00 C ATOM 1641 CD LYS A 111 18.328 5.395 -19.544 1.00 0.00 C ATOM 1642 CE LYS A 111 19.736 5.002 -19.107 1.00 0.00 C ATOM 1643 NZ LYS A 111 19.861 3.537 -18.985 1.00 0.00 N ATOM 0 H LYS A 111 14.562 8.199 -20.471 1.00 0.00 H new ATOM 0 HA LYS A 111 15.724 5.878 -19.142 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.687 6.932 -21.174 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.862 8.447 -20.311 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.013 7.264 -20.364 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.438 7.378 -18.712 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.598 5.041 -18.816 1.00 0.00 H new ATOM 0 HD3 LYS A 111 18.085 4.920 -20.495 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.462 5.374 -19.830 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.969 5.471 -18.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 20.827 3.295 -18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 19.183 3.188 -18.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 19.661 3.094 -19.904 1.00 0.00 H new ATOM 1657 N ALA A 112 15.368 8.767 -17.645 1.00 0.00 N ATOM 1658 CA ALA A 112 15.427 9.414 -16.348 1.00 0.00 C ATOM 1659 C ALA A 112 14.448 8.748 -15.378 1.00 0.00 C ATOM 1660 O ALA A 112 14.664 8.783 -14.170 1.00 0.00 O ATOM 1661 CB ALA A 112 15.110 10.898 -16.518 1.00 0.00 C ATOM 0 H ALA A 112 14.894 9.313 -18.365 1.00 0.00 H new ATOM 0 HA ALA A 112 16.428 9.312 -15.929 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.152 11.393 -15.548 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.840 11.352 -17.188 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.111 11.011 -16.940 1.00 0.00 H new ATOM 1667 N LEU A 113 13.374 8.140 -15.896 1.00 0.00 N ATOM 1668 CA LEU A 113 12.421 7.413 -15.070 1.00 0.00 C ATOM 1669 C LEU A 113 13.051 6.104 -14.606 1.00 0.00 C ATOM 1670 O LEU A 113 12.888 5.716 -13.451 1.00 0.00 O ATOM 1671 CB LEU A 113 11.139 7.199 -15.886 1.00 0.00 C ATOM 1672 CG LEU A 113 9.981 6.510 -15.152 1.00 0.00 C ATOM 1673 CD1 LEU A 113 10.157 4.994 -15.058 1.00 0.00 C ATOM 1674 CD2 LEU A 113 9.774 7.090 -13.756 1.00 0.00 C ATOM 0 H LEU A 113 13.148 8.141 -16.891 1.00 0.00 H new ATOM 0 HA LEU A 113 12.159 7.975 -14.174 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.792 8.169 -16.241 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.387 6.608 -16.767 1.00 0.00 H new ATOM 0 HG LEU A 113 9.094 6.706 -15.754 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.308 4.561 -14.529 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.213 4.571 -16.061 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.076 4.767 -14.517 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.946 6.577 -13.268 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.682 6.955 -13.168 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.547 8.153 -13.834 1.00 0.00 H new ATOM 1686 N ALA A 114 13.773 5.419 -15.497 1.00 0.00 N ATOM 1687 CA ALA A 114 14.408 4.158 -15.151 1.00 0.00 C ATOM 1688 C ALA A 114 15.485 4.357 -14.082 1.00 0.00 C ATOM 1689 O ALA A 114 15.763 3.437 -13.312 1.00 0.00 O ATOM 1690 CB ALA A 114 15.003 3.541 -16.419 1.00 0.00 C ATOM 0 H ALA A 114 13.928 5.721 -16.459 1.00 0.00 H new ATOM 0 HA ALA A 114 13.662 3.482 -14.732 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.483 2.594 -16.172 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.210 3.367 -17.146 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.741 4.222 -16.843 1.00 0.00 H new ATOM 1696 N ALA A 115 16.089 5.547 -14.025 1.00 0.00 N ATOM 1697 CA ALA A 115 17.078 5.879 -13.013 1.00 0.00 C ATOM 1698 C ALA A 115 16.441 6.445 -11.740 1.00 0.00 C ATOM 1699 O ALA A 115 17.064 6.414 -10.678 1.00 0.00 O ATOM 1700 CB ALA A 115 18.076 6.869 -13.613 1.00 0.00 C ATOM 0 H ALA A 115 15.901 6.304 -14.683 1.00 0.00 H new ATOM 0 HA ALA A 115 17.592 4.965 -12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.825 7.128 -12.865 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.565 6.415 -14.475 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.550 7.770 -13.927 1.00 0.00 H new ATOM 1706 N LEU A 116 15.211 6.964 -11.834 1.00 0.00 N ATOM 1707 CA LEU A 116 14.530 7.607 -10.720 1.00 0.00 C ATOM 1708 C LEU A 116 13.665 6.634 -9.921 1.00 0.00 C ATOM 1709 O LEU A 116 13.613 6.726 -8.696 1.00 0.00 O ATOM 1710 CB LEU A 116 13.715 8.779 -11.288 1.00 0.00 C ATOM 1711 CG LEU A 116 12.939 9.598 -10.252 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.661 10.982 -10.834 1.00 0.00 C ATOM 1713 CD2 LEU A 116 11.580 8.974 -9.925 1.00 0.00 C ATOM 0 H LEU A 116 14.662 6.946 -12.694 1.00 0.00 H new ATOM 0 HA LEU A 116 15.265 7.976 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.392 9.446 -11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.009 8.388 -12.021 1.00 0.00 H new ATOM 0 HG LEU A 116 13.544 9.637 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.108 11.578 -10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.605 11.476 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.071 10.882 -11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.066 9.589 -9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.978 8.917 -10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.727 7.971 -9.523 1.00 0.00 H new ATOM 1725 N LEU A 117 12.988 5.703 -10.598 1.00 0.00 N ATOM 1726 CA LEU A 117 11.971 4.869 -9.972 1.00 0.00 C ATOM 1727 C LEU A 117 12.559 3.732 -9.132 1.00 0.00 C ATOM 1728 O LEU A 117 11.827 3.078 -8.389 1.00 0.00 O ATOM 1729 CB LEU A 117 11.039 4.344 -11.070 1.00 0.00 C ATOM 1730 CG LEU A 117 9.694 3.840 -10.535 1.00 0.00 C ATOM 1731 CD1 LEU A 117 8.894 4.978 -9.899 1.00 0.00 C ATOM 1732 CD2 LEU A 117 8.877 3.272 -11.692 1.00 0.00 C ATOM 0 H LEU A 117 13.131 5.510 -11.589 1.00 0.00 H new ATOM 0 HA LEU A 117 11.408 5.477 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.859 5.138 -11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.537 3.534 -11.602 1.00 0.00 H new ATOM 0 HG LEU A 117 9.891 3.077 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.944 4.592 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.461 5.403 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.705 5.751 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.919 2.912 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.707 4.052 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.421 2.446 -12.151 1.00 0.00 H new ATOM 1744 N VAL A 118 13.870 3.489 -9.237 1.00 0.00 N ATOM 1745 CA VAL A 118 14.555 2.430 -8.501 1.00 0.00 C ATOM 1746 C VAL A 118 15.927 2.900 -8.018 1.00 0.00 C ATOM 1747 O VAL A 118 16.416 2.310 -7.029 1.00 0.00 O ATOM 1748 CB VAL A 118 14.696 1.164 -9.357 1.00 0.00 C ATOM 1749 CG1 VAL A 118 13.324 0.567 -9.680 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.427 1.448 -10.669 1.00 0.00 C ATOM 0 H VAL A 118 14.488 4.029 -9.842 1.00 0.00 H new ATOM 0 HA VAL A 118 13.947 2.187 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 118 15.280 0.454 -8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 118 13.451 -0.329 -10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 118 12.813 0.308 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 118 12.730 1.297 -10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.507 0.528 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 118 14.871 2.190 -11.242 1.00 0.00 H new ATOM 0 HG23 VAL A 118 16.425 1.830 -10.454 1.00 0.00 H new TER 1760 VAL A 118