USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -0.841 K(o=-3.5,f=-6.5!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -2.67 K(o=-3.5,f=-6.4) USER MOD Set 2.1: A 19 HIS :FLIP no HE2:sc= -8.9! C(o=-12!,f=-10!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.36 USER MOD Set 3.1: A 31 GLN : amide:sc= -4.92! C(o=-8.1!,f=-9!) USER MOD Set 3.2: A 32 THR OG1 : rot -120:sc= -0.317 USER MOD Set 3.3: A 89 GLN : amide:sc= -2.9 K(o=-8.1,f=-9!) USER MOD Set 4.1: A 10 MET CE :methyl 173:sc= -9.13! (180deg=-9.61!) USER MOD Set 4.2: A 70 MET CE :methyl -138:sc= -1.44 (180deg=-3.4!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 9 GLN : amide:sc= -3.87 K(o=-3.9,f=-11!) USER MOD Set 6.1: A 4 ASN : amide:sc= -2.19! C(o=-4.8!,f=-9.8!) USER MOD Set 6.2: A 6 THR OG1 : rot -34:sc= -0.121 USER MOD Set 6.3: A 38 HIS : no HE2:sc= -2.48! C(o=-4.8!,f=-9.4!) USER MOD Single : A 7 SER OG : rot -170:sc= -1.2 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.41! C(o=-4.4!,f=-10!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -6.97! C(o=-7!,f=-9.7!) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0625) USER MOD Single : A 46 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0946 USER MOD Single : A 56 THR OG1 : rot -106:sc= -0.0187 USER MOD Single : A 60 ASN : amide:sc= -0.423 K(o=-0.42,f=-3.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0397 (180deg=-0.253) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.283! K(o=-0.28!,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0829) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 1.352 -4.691 -7.940 1.00 0.00 N ATOM 32 CA LEU A 3 0.089 -4.271 -7.341 1.00 0.00 C ATOM 33 C LEU A 3 -1.005 -5.286 -7.653 1.00 0.00 C ATOM 34 O LEU A 3 -1.266 -5.588 -8.817 1.00 0.00 O ATOM 35 CB LEU A 3 -0.280 -2.872 -7.866 1.00 0.00 C ATOM 36 CG LEU A 3 -1.765 -2.463 -7.805 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.595 -3.245 -8.814 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.326 -2.626 -6.400 1.00 0.00 C ATOM 0 HA LEU A 3 0.193 -4.220 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.296 -2.138 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.046 -2.804 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.824 -1.407 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.638 -2.934 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.223 -3.051 -9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.520 -4.311 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.375 -2.329 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.241 -3.668 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.765 -1.997 -5.709 1.00 0.00 H new ATOM 44 N ASN A 4 -1.645 -5.815 -6.613 1.00 0.00 N ATOM 45 CA ASN A 4 -2.709 -6.792 -6.812 1.00 0.00 C ATOM 46 C ASN A 4 -3.862 -6.577 -5.844 1.00 0.00 C ATOM 47 O ASN A 4 -3.725 -5.919 -4.807 1.00 0.00 O ATOM 48 CB ASN A 4 -2.175 -8.217 -6.685 1.00 0.00 C ATOM 49 CG ASN A 4 -3.181 -9.264 -7.126 1.00 0.00 C ATOM 50 OD1 ASN A 4 -4.189 -8.949 -7.759 1.00 0.00 O ATOM 51 ND2 ASN A 4 -2.906 -10.521 -6.801 1.00 0.00 N ATOM 0 H ASN A 4 -1.449 -5.587 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.089 -6.648 -7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.269 -8.315 -7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.894 -8.404 -5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.541 -11.270 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.059 -10.738 -6.275 1.00 0.00 H new ATOM 56 N ILE A 5 -5.001 -7.140 -6.209 1.00 0.00 N ATOM 57 CA ILE A 5 -6.212 -7.026 -5.406 1.00 0.00 C ATOM 58 C ILE A 5 -6.785 -8.395 -5.060 1.00 0.00 C ATOM 59 O ILE A 5 -6.304 -9.424 -5.534 1.00 0.00 O ATOM 60 CB ILE A 5 -7.305 -6.196 -6.124 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.973 -6.006 -7.612 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.474 -4.853 -5.436 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.847 -5.025 -7.873 1.00 0.00 C ATOM 0 H ILE A 5 -5.115 -7.686 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.920 -6.513 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.245 -6.744 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.706 -6.972 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.867 -5.663 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.245 -4.276 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.768 -5.010 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.531 -4.307 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.674 -4.947 -8.946 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.118 -4.046 -7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.938 -5.375 -7.384 1.00 0.00 H new ATOM 67 N THR A 6 -7.824 -8.390 -4.232 1.00 0.00 N ATOM 68 CA THR A 6 -8.484 -9.619 -3.813 1.00 0.00 C ATOM 69 C THR A 6 -9.857 -9.309 -3.231 1.00 0.00 C ATOM 70 O THR A 6 -10.288 -9.930 -2.259 1.00 0.00 O ATOM 71 CB THR A 6 -7.630 -10.360 -2.782 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.264 -10.344 -3.157 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.038 -11.805 -2.593 1.00 0.00 C ATOM 0 H THR A 6 -8.229 -7.542 -3.836 1.00 0.00 H new ATOM 0 HA THR A 6 -8.609 -10.259 -4.686 1.00 0.00 H new ATOM 0 HB THR A 6 -7.788 -9.830 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.192 -10.380 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.392 -12.271 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.073 -11.849 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.943 -12.337 -3.540 1.00 0.00 H new ATOM 78 N SER A 7 -10.537 -8.338 -3.833 1.00 0.00 N ATOM 79 CA SER A 7 -11.862 -7.926 -3.382 1.00 0.00 C ATOM 80 C SER A 7 -12.786 -9.129 -3.209 1.00 0.00 C ATOM 81 O SER A 7 -13.160 -9.786 -4.180 1.00 0.00 O ATOM 82 CB SER A 7 -12.469 -6.935 -4.376 1.00 0.00 C ATOM 83 OG SER A 7 -11.490 -6.028 -4.853 1.00 0.00 O ATOM 0 H SER A 7 -10.189 -7.819 -4.639 1.00 0.00 H new ATOM 0 HA SER A 7 -11.754 -7.441 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.906 -7.477 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.278 -6.383 -3.897 1.00 0.00 H new ATOM 0 HG SER A 7 -11.927 -5.312 -5.360 1.00 0.00 H new ATOM 89 N LYS A 8 -13.142 -9.415 -1.959 1.00 0.00 N ATOM 90 CA LYS A 8 -14.012 -10.544 -1.646 1.00 0.00 C ATOM 91 C LYS A 8 -15.393 -10.400 -2.287 1.00 0.00 C ATOM 92 O LYS A 8 -15.971 -11.382 -2.753 1.00 0.00 O ATOM 93 CB LYS A 8 -14.150 -10.700 -0.126 1.00 0.00 C ATOM 94 CG LYS A 8 -15.171 -9.765 0.503 1.00 0.00 C ATOM 95 CD LYS A 8 -14.905 -9.564 1.988 1.00 0.00 C ATOM 96 CE LYS A 8 -15.901 -10.332 2.841 1.00 0.00 C ATOM 97 NZ LYS A 8 -16.064 -9.722 4.190 1.00 0.00 N ATOM 0 H LYS A 8 -12.840 -8.879 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.549 -11.438 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.429 -11.729 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.179 -10.524 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.145 -8.801 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.173 -10.172 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.893 -9.892 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.961 -8.502 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.867 -10.359 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.568 -11.364 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.751 -10.275 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.148 -9.719 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.407 -8.745 4.090 1.00 0.00 H new ATOM 111 N GLN A 9 -15.924 -9.180 -2.301 1.00 0.00 N ATOM 112 CA GLN A 9 -17.244 -8.937 -2.880 1.00 0.00 C ATOM 113 C GLN A 9 -17.172 -7.969 -4.063 1.00 0.00 C ATOM 114 O GLN A 9 -17.014 -8.395 -5.206 1.00 0.00 O ATOM 115 CB GLN A 9 -18.223 -8.418 -1.816 1.00 0.00 C ATOM 116 CG GLN A 9 -17.608 -7.464 -0.802 1.00 0.00 C ATOM 117 CD GLN A 9 -17.905 -7.862 0.631 1.00 0.00 C ATOM 118 OE1 GLN A 9 -17.013 -7.894 1.478 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.167 -8.167 0.910 1.00 0.00 N ATOM 0 H GLN A 9 -15.466 -8.351 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.615 -9.891 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.049 -7.913 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.646 -9.270 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.528 -7.430 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.986 -6.457 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.875 -8.127 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.428 -8.441 1.857 1.00 0.00 H new ATOM 126 N MET A 10 -17.294 -6.668 -3.793 1.00 0.00 N ATOM 127 CA MET A 10 -17.248 -5.665 -4.851 1.00 0.00 C ATOM 128 C MET A 10 -15.996 -5.824 -5.702 1.00 0.00 C ATOM 129 O MET A 10 -14.879 -5.634 -5.221 1.00 0.00 O ATOM 130 CB MET A 10 -17.298 -4.257 -4.264 1.00 0.00 C ATOM 131 CG MET A 10 -16.262 -4.006 -3.183 1.00 0.00 C ATOM 132 SD MET A 10 -15.562 -2.349 -3.264 1.00 0.00 S ATOM 133 CE MET A 10 -15.054 -2.126 -1.563 1.00 0.00 C ATOM 0 H MET A 10 -17.425 -6.289 -2.855 1.00 0.00 H new ATOM 0 HA MET A 10 -18.121 -5.815 -5.486 1.00 0.00 H new ATOM 0 HB2 MET A 10 -17.154 -3.534 -5.067 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.291 -4.081 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.720 -4.155 -2.205 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.461 -4.739 -3.276 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.489 -1.198 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.935 -2.079 -0.923 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.428 -2.964 -1.257 1.00 0.00 H new ATOM 143 N ASP A 11 -16.185 -6.174 -6.968 1.00 0.00 N ATOM 144 CA ASP A 11 -15.064 -6.355 -7.876 1.00 0.00 C ATOM 145 C ASP A 11 -14.246 -5.074 -7.983 1.00 0.00 C ATOM 146 O ASP A 11 -14.546 -4.080 -7.324 1.00 0.00 O ATOM 147 CB ASP A 11 -15.560 -6.781 -9.259 1.00 0.00 C ATOM 148 CG ASP A 11 -16.249 -8.131 -9.237 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.478 -8.167 -9.014 1.00 0.00 O ATOM 150 OD2 ASP A 11 -15.560 -9.153 -9.441 1.00 0.00 O ATOM 0 H ASP A 11 -17.101 -6.337 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.424 -7.142 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.251 -6.030 -9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.717 -6.818 -9.949 1.00 0.00 H new ATOM 155 N ILE A 12 -13.213 -5.099 -8.819 1.00 0.00 N ATOM 156 CA ILE A 12 -12.362 -3.929 -9.004 1.00 0.00 C ATOM 157 C ILE A 12 -12.698 -3.212 -10.305 1.00 0.00 C ATOM 158 O ILE A 12 -13.146 -3.828 -11.272 1.00 0.00 O ATOM 159 CB ILE A 12 -10.849 -4.272 -8.994 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.614 -5.788 -8.971 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.161 -3.613 -7.804 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.051 -6.452 -7.683 1.00 0.00 C ATOM 0 H ILE A 12 -12.946 -5.911 -9.376 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.564 -3.277 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.416 -3.881 -9.915 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.150 -6.243 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.554 -5.985 -9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.100 -3.864 -7.812 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.278 -2.531 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.612 -3.972 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.854 -7.522 -7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.496 -6.025 -6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.118 -6.287 -7.532 1.00 0.00 H new ATOM 166 N THR A 13 -12.477 -1.906 -10.314 1.00 0.00 N ATOM 167 CA THR A 13 -12.750 -1.085 -11.484 1.00 0.00 C ATOM 168 C THR A 13 -11.691 0.006 -11.623 1.00 0.00 C ATOM 169 O THR A 13 -10.864 0.190 -10.730 1.00 0.00 O ATOM 170 CB THR A 13 -14.143 -0.461 -11.374 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.581 -0.447 -10.027 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.192 -1.187 -12.187 1.00 0.00 C ATOM 0 H THR A 13 -12.106 -1.389 -9.517 1.00 0.00 H new ATOM 0 HA THR A 13 -12.717 -1.716 -12.372 1.00 0.00 H new ATOM 0 HB THR A 13 -14.037 0.550 -11.767 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.472 -0.043 -9.977 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.155 -0.692 -12.063 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.910 -1.174 -13.240 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.268 -2.219 -11.845 1.00 0.00 H new ATOM 177 N PRO A 14 -11.698 0.747 -12.745 1.00 0.00 N ATOM 178 CA PRO A 14 -10.730 1.820 -12.989 1.00 0.00 C ATOM 179 C PRO A 14 -10.474 2.680 -11.754 1.00 0.00 C ATOM 180 O PRO A 14 -9.331 3.016 -11.450 1.00 0.00 O ATOM 181 CB PRO A 14 -11.407 2.641 -14.080 1.00 0.00 C ATOM 182 CG PRO A 14 -12.194 1.644 -14.858 1.00 0.00 C ATOM 183 CD PRO A 14 -12.646 0.599 -13.869 1.00 0.00 C ATOM 0 HA PRO A 14 -9.748 1.432 -13.261 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.050 3.412 -13.656 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.675 3.147 -14.709 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.048 2.116 -15.343 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.587 1.198 -15.645 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.675 0.768 -13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.605 -0.402 -14.298 1.00 0.00 H new ATOM 191 N ALA A 15 -11.543 3.033 -11.046 1.00 0.00 N ATOM 192 CA ALA A 15 -11.424 3.857 -9.846 1.00 0.00 C ATOM 193 C ALA A 15 -10.459 3.232 -8.843 1.00 0.00 C ATOM 194 O ALA A 15 -9.285 3.598 -8.795 1.00 0.00 O ATOM 195 CB ALA A 15 -12.791 4.072 -9.213 1.00 0.00 C ATOM 0 H ALA A 15 -12.498 2.763 -11.281 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.020 4.826 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.686 4.688 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.447 4.574 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.221 3.108 -8.940 1.00 0.00 H new ATOM 201 N ILE A 16 -10.950 2.282 -8.045 1.00 0.00 N ATOM 202 CA ILE A 16 -10.109 1.615 -7.059 1.00 0.00 C ATOM 203 C ILE A 16 -8.818 1.132 -7.699 1.00 0.00 C ATOM 204 O ILE A 16 -7.729 1.499 -7.267 1.00 0.00 O ATOM 205 CB ILE A 16 -10.820 0.414 -6.403 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.729 -0.304 -7.413 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.597 0.867 -5.178 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.207 -0.043 -7.222 1.00 0.00 C ATOM 0 H ILE A 16 -11.918 1.962 -8.064 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.892 2.351 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.066 -0.303 -6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.446 0.003 -8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.550 -1.377 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.094 0.009 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.912 1.312 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.343 1.605 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.773 -0.588 -7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.510 -0.377 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.404 1.024 -7.322 1.00 0.00 H new ATOM 212 N ARG A 17 -8.951 0.320 -8.748 1.00 0.00 N ATOM 213 CA ARG A 17 -7.789 -0.204 -9.467 1.00 0.00 C ATOM 214 C ARG A 17 -6.727 0.884 -9.617 1.00 0.00 C ATOM 215 O ARG A 17 -5.588 0.732 -9.168 1.00 0.00 O ATOM 216 CB ARG A 17 -8.207 -0.709 -10.850 1.00 0.00 C ATOM 217 CG ARG A 17 -7.135 -1.532 -11.548 1.00 0.00 C ATOM 218 CD ARG A 17 -7.707 -2.813 -12.137 1.00 0.00 C ATOM 219 NE ARG A 17 -6.686 -3.846 -12.291 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.811 -4.898 -13.097 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.911 -5.062 -13.821 1.00 0.00 N ATOM 222 NH2 ARG A 17 -5.832 -5.790 -13.178 1.00 0.00 N ATOM 0 H ARG A 17 -9.850 0.011 -9.118 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.372 -1.033 -8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.109 -1.313 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.463 0.145 -11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.678 -0.939 -12.340 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.345 -1.778 -10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.504 -3.184 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.155 -2.598 -13.107 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.827 -3.756 -11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.667 -4.380 -13.762 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.001 -5.870 -14.437 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.985 -5.669 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.927 -6.597 -13.795 1.00 0.00 H new ATOM 236 N GLU A 18 -7.125 1.994 -10.235 1.00 0.00 N ATOM 237 CA GLU A 18 -6.231 3.129 -10.432 1.00 0.00 C ATOM 238 C GLU A 18 -5.765 3.673 -9.087 1.00 0.00 C ATOM 239 O GLU A 18 -4.602 4.040 -8.924 1.00 0.00 O ATOM 240 CB GLU A 18 -6.937 4.230 -11.229 1.00 0.00 C ATOM 241 CG GLU A 18 -6.090 5.476 -11.433 1.00 0.00 C ATOM 242 CD GLU A 18 -6.537 6.296 -12.627 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.462 7.121 -12.469 1.00 0.00 O ATOM 244 OE2 GLU A 18 -5.963 6.114 -13.721 1.00 0.00 O ATOM 0 H GLU A 18 -8.064 2.130 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.361 2.792 -10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.225 3.834 -12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.856 4.507 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.136 6.093 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.048 5.185 -11.567 1.00 0.00 H new ATOM 251 N HIS A 19 -6.678 3.702 -8.121 1.00 0.00 N ATOM 252 CA HIS A 19 -6.365 4.174 -6.782 1.00 0.00 C ATOM 253 C HIS A 19 -5.265 3.308 -6.187 1.00 0.00 C ATOM 254 O HIS A 19 -4.149 3.767 -5.944 1.00 0.00 O ATOM 255 CB HIS A 19 -7.623 4.103 -5.918 1.00 0.00 C ATOM 256 CG HIS A 19 -7.624 5.024 -4.752 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.216 4.884 -3.557 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -6.994 6.249 -4.733 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -7.945 6.016 -2.828 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.204 6.826 -3.562 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.645 3.402 -8.245 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.018 5.207 -6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.489 4.326 -6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.744 3.081 -5.558 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -8.767 4.084 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.420 6.671 -5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.282 6.211 -1.821 1.00 0.00 H new ATOM 269 N LEU A 20 -5.594 2.039 -5.985 1.00 0.00 N ATOM 270 CA LEU A 20 -4.657 1.057 -5.452 1.00 0.00 C ATOM 271 C LEU A 20 -3.324 1.119 -6.193 1.00 0.00 C ATOM 272 O LEU A 20 -2.259 1.177 -5.575 1.00 0.00 O ATOM 273 CB LEU A 20 -5.274 -0.335 -5.568 1.00 0.00 C ATOM 274 CG LEU A 20 -6.731 -0.411 -5.088 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.309 -1.809 -5.242 1.00 0.00 C ATOM 276 CD2 LEU A 20 -6.832 0.060 -3.648 1.00 0.00 C ATOM 0 H LEU A 20 -6.519 1.660 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.461 1.280 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.227 -0.657 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.674 -1.037 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.324 0.250 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.341 -1.817 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.281 -2.101 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.720 -2.513 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.869 0.002 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.213 -0.575 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.486 1.091 -3.577 1.00 0.00 H new ATOM 282 N GLU A 21 -3.393 1.123 -7.521 1.00 0.00 N ATOM 283 CA GLU A 21 -2.191 1.193 -8.343 1.00 0.00 C ATOM 284 C GLU A 21 -1.447 2.500 -8.097 1.00 0.00 C ATOM 285 O GLU A 21 -0.248 2.498 -7.817 1.00 0.00 O ATOM 286 CB GLU A 21 -2.552 1.054 -9.821 1.00 0.00 C ATOM 287 CG GLU A 21 -3.023 -0.341 -10.195 1.00 0.00 C ATOM 288 CD GLU A 21 -3.387 -0.462 -11.662 1.00 0.00 C ATOM 289 OE1 GLU A 21 -2.934 0.388 -12.458 1.00 0.00 O ATOM 290 OE2 GLU A 21 -4.124 -1.406 -12.015 1.00 0.00 O ATOM 0 H GLU A 21 -4.265 1.079 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.534 0.369 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.334 1.772 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.683 1.311 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.239 -1.060 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.889 -0.603 -9.587 1.00 0.00 H new ATOM 297 N GLU A 22 -2.165 3.614 -8.191 1.00 0.00 N ATOM 298 CA GLU A 22 -1.567 4.925 -7.963 1.00 0.00 C ATOM 299 C GLU A 22 -0.937 4.984 -6.575 1.00 0.00 C ATOM 300 O GLU A 22 0.217 5.387 -6.419 1.00 0.00 O ATOM 301 CB GLU A 22 -2.620 6.025 -8.107 1.00 0.00 C ATOM 302 CG GLU A 22 -2.953 6.364 -9.551 1.00 0.00 C ATOM 303 CD GLU A 22 -1.884 7.214 -10.212 1.00 0.00 C ATOM 304 OE1 GLU A 22 -0.748 6.721 -10.369 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.184 8.372 -10.571 1.00 0.00 O ATOM 0 H GLU A 22 -3.158 3.636 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.790 5.085 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.531 5.713 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.265 6.924 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.080 5.441 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.906 6.893 -9.586 1.00 0.00 H new ATOM 312 N ARG A 23 -1.704 4.566 -5.570 1.00 0.00 N ATOM 313 CA ARG A 23 -1.222 4.557 -4.195 1.00 0.00 C ATOM 314 C ARG A 23 0.033 3.703 -4.074 1.00 0.00 C ATOM 315 O ARG A 23 1.020 4.117 -3.466 1.00 0.00 O ATOM 316 CB ARG A 23 -2.305 4.039 -3.251 1.00 0.00 C ATOM 317 CG ARG A 23 -3.343 5.089 -2.894 1.00 0.00 C ATOM 318 CD ARG A 23 -2.703 6.336 -2.303 1.00 0.00 C ATOM 319 NE ARG A 23 -3.698 7.260 -1.764 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.388 8.123 -2.509 1.00 0.00 C ATOM 321 NH1 ARG A 23 -4.200 8.177 -3.821 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.270 8.932 -1.939 1.00 0.00 N ATOM 0 H ARG A 23 -2.660 4.230 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.975 5.581 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.804 3.188 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.837 3.675 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.909 5.358 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.053 4.671 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.010 6.048 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.118 6.842 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.875 7.244 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.524 7.556 -4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.731 8.840 -4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.420 8.894 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.798 9.593 -2.509 1.00 0.00 H new ATOM 336 N LEU A 24 -0.002 2.514 -4.673 1.00 0.00 N ATOM 337 CA LEU A 24 1.147 1.621 -4.639 1.00 0.00 C ATOM 338 C LEU A 24 2.338 2.278 -5.327 1.00 0.00 C ATOM 339 O LEU A 24 3.435 2.350 -4.767 1.00 0.00 O ATOM 340 CB LEU A 24 0.815 0.288 -5.314 1.00 0.00 C ATOM 341 CG LEU A 24 1.098 -0.952 -4.459 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.203 -1.614 -4.020 1.00 0.00 C ATOM 343 CD2 LEU A 24 1.977 -1.939 -5.216 1.00 0.00 C ATOM 0 H LEU A 24 -0.808 2.152 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 24 1.403 1.424 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.239 0.289 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.387 0.213 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 24 1.635 -0.634 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.022 -2.492 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.790 -0.908 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.772 -1.916 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.166 -2.812 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.471 -2.250 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.924 -1.463 -5.469 1.00 0.00 H new ATOM 349 N ALA A 25 2.106 2.776 -6.539 1.00 0.00 N ATOM 350 CA ALA A 25 3.152 3.450 -7.297 1.00 0.00 C ATOM 351 C ALA A 25 3.724 4.602 -6.482 1.00 0.00 C ATOM 352 O ALA A 25 4.918 4.896 -6.550 1.00 0.00 O ATOM 353 CB ALA A 25 2.607 3.953 -8.625 1.00 0.00 C ATOM 0 H ALA A 25 1.205 2.725 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 25 3.951 2.738 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.402 4.454 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.234 3.111 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.794 4.656 -8.442 1.00 0.00 H new ATOM 359 N LYS A 26 2.860 5.238 -5.695 1.00 0.00 N ATOM 360 CA LYS A 26 3.275 6.343 -4.844 1.00 0.00 C ATOM 361 C LYS A 26 4.054 5.813 -3.647 1.00 0.00 C ATOM 362 O LYS A 26 4.991 6.452 -3.168 1.00 0.00 O ATOM 363 CB LYS A 26 2.057 7.138 -4.369 1.00 0.00 C ATOM 364 CG LYS A 26 2.408 8.495 -3.780 1.00 0.00 C ATOM 365 CD LYS A 26 2.060 9.627 -4.734 1.00 0.00 C ATOM 366 CE LYS A 26 2.777 10.913 -4.359 1.00 0.00 C ATOM 367 NZ LYS A 26 4.162 10.957 -4.902 1.00 0.00 N ATOM 0 H LYS A 26 1.869 5.005 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 26 3.919 7.007 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.377 7.281 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.522 6.554 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.874 8.633 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.473 8.528 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.329 9.343 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.983 9.794 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.213 11.766 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.810 11.007 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.616 11.850 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.709 10.158 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.130 10.894 -5.940 1.00 0.00 H new ATOM 381 N LEU A 27 3.664 4.629 -3.179 1.00 0.00 N ATOM 382 CA LEU A 27 4.331 3.996 -2.048 1.00 0.00 C ATOM 383 C LEU A 27 5.637 3.336 -2.489 1.00 0.00 C ATOM 384 O LEU A 27 6.438 2.911 -1.658 1.00 0.00 O ATOM 385 CB LEU A 27 3.412 2.962 -1.389 1.00 0.00 C ATOM 386 CG LEU A 27 2.703 3.440 -0.119 1.00 0.00 C ATOM 387 CD1 LEU A 27 1.922 2.300 0.517 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.704 4.021 0.873 1.00 0.00 C ATOM 0 H LEU A 27 2.889 4.090 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 27 4.565 4.770 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.658 2.655 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.001 2.077 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 27 2.002 4.227 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.425 2.658 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.176 1.933 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.605 1.491 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.178 4.354 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.433 3.257 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.218 4.868 0.418 1.00 0.00 H new ATOM 394 N GLY A 28 5.854 3.259 -3.801 1.00 0.00 N ATOM 395 CA GLY A 28 7.075 2.661 -4.308 1.00 0.00 C ATOM 396 C GLY A 28 8.296 3.482 -3.940 1.00 0.00 C ATOM 397 O GLY A 28 9.364 2.935 -3.663 1.00 0.00 O ATOM 0 H GLY A 28 5.210 3.598 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.180 1.653 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.012 2.568 -5.392 1.00 0.00 H new ATOM 401 N LYS A 29 8.129 4.802 -3.934 1.00 0.00 N ATOM 402 CA LYS A 29 9.217 5.718 -3.594 1.00 0.00 C ATOM 403 C LYS A 29 9.510 5.713 -2.095 1.00 0.00 C ATOM 404 O LYS A 29 10.473 6.331 -1.641 1.00 0.00 O ATOM 405 CB LYS A 29 8.875 7.142 -4.043 1.00 0.00 C ATOM 406 CG LYS A 29 7.924 7.890 -3.109 1.00 0.00 C ATOM 407 CD LYS A 29 8.634 9.014 -2.368 1.00 0.00 C ATOM 408 CE LYS A 29 8.046 9.232 -0.979 1.00 0.00 C ATOM 409 NZ LYS A 29 8.398 10.572 -0.433 1.00 0.00 N ATOM 0 H LYS A 29 7.248 5.263 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 29 10.108 5.373 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.799 7.713 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.429 7.099 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.095 8.301 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.497 7.192 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.695 8.780 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.557 9.936 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.962 9.131 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.411 8.457 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.980 10.682 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.432 10.659 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.028 11.312 -1.063 1.00 0.00 H new ATOM 423 N TRP A 30 8.667 5.033 -1.332 1.00 0.00 N ATOM 424 CA TRP A 30 8.824 4.968 0.114 1.00 0.00 C ATOM 425 C TRP A 30 9.978 4.051 0.519 1.00 0.00 C ATOM 426 O TRP A 30 9.774 3.063 1.225 1.00 0.00 O ATOM 427 CB TRP A 30 7.513 4.507 0.752 1.00 0.00 C ATOM 428 CG TRP A 30 6.702 5.631 1.314 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.766 6.381 0.661 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.762 6.137 2.648 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.237 7.320 1.514 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.835 7.190 2.740 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.511 5.797 3.771 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.641 7.905 3.920 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.321 6.507 4.939 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.391 7.551 5.005 1.00 0.00 C ATOM 0 H TRP A 30 7.864 4.517 -1.692 1.00 0.00 H new ATOM 0 HA TRP A 30 9.069 5.966 0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.920 3.978 0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.734 3.795 1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.483 6.255 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.517 8.002 1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.229 4.991 3.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.923 8.710 3.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.899 6.253 5.816 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.264 8.088 5.933 1.00 0.00 H new ATOM 447 N GLN A 31 11.191 4.404 0.069 1.00 0.00 N ATOM 448 CA GLN A 31 12.414 3.643 0.368 1.00 0.00 C ATOM 449 C GLN A 31 12.115 2.208 0.792 1.00 0.00 C ATOM 450 O GLN A 31 12.582 1.743 1.833 1.00 0.00 O ATOM 451 CB GLN A 31 13.231 4.349 1.453 1.00 0.00 C ATOM 452 CG GLN A 31 12.469 4.572 2.748 1.00 0.00 C ATOM 453 CD GLN A 31 11.399 5.638 2.617 1.00 0.00 C ATOM 454 OE1 GLN A 31 10.243 5.418 2.973 1.00 0.00 O ATOM 455 NE2 GLN A 31 11.782 6.801 2.105 1.00 0.00 N ATOM 0 H GLN A 31 11.352 5.226 -0.513 1.00 0.00 H new ATOM 0 HA GLN A 31 12.995 3.598 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.123 3.759 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.569 5.312 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.007 3.635 3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.169 4.859 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.752 6.939 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.106 7.557 1.994 1.00 0.00 H new ATOM 462 N THR A 32 11.324 1.517 -0.018 1.00 0.00 N ATOM 463 CA THR A 32 10.946 0.148 0.266 1.00 0.00 C ATOM 464 C THR A 32 10.819 -0.642 -1.034 1.00 0.00 C ATOM 465 O THR A 32 10.739 -0.067 -2.119 1.00 0.00 O ATOM 466 CB THR A 32 9.624 0.139 1.042 1.00 0.00 C ATOM 467 OG1 THR A 32 9.827 0.565 2.378 1.00 0.00 O ATOM 468 CG2 THR A 32 8.948 -1.212 1.096 1.00 0.00 C ATOM 0 H THR A 32 10.931 1.890 -0.882 1.00 0.00 H new ATOM 0 HA THR A 32 11.716 -0.326 0.875 1.00 0.00 H new ATOM 0 HB THR A 32 8.975 0.821 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.557 -0.148 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.020 -1.132 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.727 -1.549 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.609 -1.930 1.581 1.00 0.00 H new ATOM 473 N GLN A 33 10.785 -1.958 -0.909 1.00 0.00 N ATOM 474 CA GLN A 33 10.648 -2.839 -2.055 1.00 0.00 C ATOM 475 C GLN A 33 9.502 -3.791 -1.807 1.00 0.00 C ATOM 476 O GLN A 33 9.673 -4.856 -1.214 1.00 0.00 O ATOM 477 CB GLN A 33 11.931 -3.623 -2.312 1.00 0.00 C ATOM 478 CG GLN A 33 12.614 -4.115 -1.047 1.00 0.00 C ATOM 479 CD GLN A 33 13.562 -3.079 -0.466 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.339 -1.876 -0.600 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.630 -3.535 0.182 1.00 0.00 N ATOM 0 H GLN A 33 10.851 -2.443 -0.014 1.00 0.00 H new ATOM 0 HA GLN A 33 10.449 -2.234 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.701 -4.479 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.626 -2.993 -2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.858 -4.371 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.167 -5.028 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.781 -4.540 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.298 -2.880 0.588 1.00 0.00 H new ATOM 488 N LEU A 34 8.330 -3.381 -2.239 1.00 0.00 N ATOM 489 CA LEU A 34 7.131 -4.168 -2.043 1.00 0.00 C ATOM 490 C LEU A 34 7.298 -5.582 -2.584 1.00 0.00 C ATOM 491 O LEU A 34 7.071 -5.842 -3.765 1.00 0.00 O ATOM 492 CB LEU A 34 5.941 -3.477 -2.702 1.00 0.00 C ATOM 493 CG LEU A 34 5.883 -1.963 -2.492 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.573 -1.403 -3.019 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.063 -1.618 -1.018 1.00 0.00 C ATOM 0 H LEU A 34 8.181 -2.501 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 34 6.947 -4.247 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.967 -3.681 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.022 -3.919 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 34 6.700 -1.506 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.549 -0.325 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.489 -1.616 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.740 -1.866 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.019 -0.537 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.269 -2.086 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.030 -1.985 -0.674 1.00 0.00 H new ATOM 501 N ILE A 35 7.693 -6.493 -1.702 1.00 0.00 N ATOM 502 CA ILE A 35 7.891 -7.886 -2.070 1.00 0.00 C ATOM 503 C ILE A 35 6.638 -8.459 -2.735 1.00 0.00 C ATOM 504 O ILE A 35 6.724 -9.325 -3.605 1.00 0.00 O ATOM 505 CB ILE A 35 8.270 -8.723 -0.834 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.660 -8.292 -0.344 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.235 -10.214 -1.162 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.251 -9.206 0.701 1.00 0.00 C ATOM 0 H ILE A 35 7.883 -6.288 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 35 8.710 -7.932 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 35 7.545 -8.550 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.337 -8.246 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.594 -7.284 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.506 -10.788 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.231 -10.493 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.943 -10.427 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.232 -8.835 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.597 -9.234 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.351 -10.211 0.291 1.00 0.00 H new ATOM 512 N SER A 36 5.481 -7.957 -2.322 1.00 0.00 N ATOM 513 CA SER A 36 4.203 -8.397 -2.875 1.00 0.00 C ATOM 514 C SER A 36 3.068 -7.558 -2.306 1.00 0.00 C ATOM 515 O SER A 36 2.564 -7.821 -1.215 1.00 0.00 O ATOM 516 CB SER A 36 3.970 -9.880 -2.581 1.00 0.00 C ATOM 517 OG SER A 36 2.604 -10.223 -2.735 1.00 0.00 O ATOM 0 H SER A 36 5.400 -7.240 -1.601 1.00 0.00 H new ATOM 0 HA SER A 36 4.229 -8.263 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.578 -10.487 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.293 -10.107 -1.565 1.00 0.00 H new ATOM 0 HG SER A 36 2.482 -11.176 -2.543 1.00 0.00 H new ATOM 523 N PRO A 37 2.676 -6.511 -3.044 1.00 0.00 N ATOM 524 CA PRO A 37 1.623 -5.588 -2.633 1.00 0.00 C ATOM 525 C PRO A 37 0.221 -6.019 -3.056 1.00 0.00 C ATOM 526 O PRO A 37 -0.134 -5.974 -4.239 1.00 0.00 O ATOM 527 CB PRO A 37 2.028 -4.317 -3.362 1.00 0.00 C ATOM 528 CG PRO A 37 2.595 -4.811 -4.648 1.00 0.00 C ATOM 529 CD PRO A 37 3.260 -6.122 -4.340 1.00 0.00 C ATOM 0 HA PRO A 37 1.550 -5.506 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.173 -3.661 -3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.763 -3.747 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.811 -4.939 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.311 -4.098 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.057 -6.865 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.343 -6.017 -4.276 1.00 0.00 H new ATOM 537 N HIS A 38 -0.579 -6.407 -2.070 1.00 0.00 N ATOM 538 CA HIS A 38 -1.954 -6.817 -2.306 1.00 0.00 C ATOM 539 C HIS A 38 -2.901 -5.805 -1.695 1.00 0.00 C ATOM 540 O HIS A 38 -2.491 -4.934 -0.930 1.00 0.00 O ATOM 541 CB HIS A 38 -2.236 -8.180 -1.679 1.00 0.00 C ATOM 542 CG HIS A 38 -2.566 -9.260 -2.658 1.00 0.00 C ATOM 543 ND1 HIS A 38 -1.879 -10.451 -2.714 1.00 0.00 N ATOM 544 CD2 HIS A 38 -3.537 -9.343 -3.595 1.00 0.00 C ATOM 545 CE1 HIS A 38 -2.414 -11.222 -3.641 1.00 0.00 C ATOM 546 NE2 HIS A 38 -3.423 -10.573 -4.192 1.00 0.00 N ATOM 0 H HIS A 38 -0.294 -6.446 -1.092 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.104 -6.880 -3.384 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.364 -8.486 -1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.064 -8.078 -0.978 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -1.081 -10.699 -2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.267 -8.582 -3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.083 -12.216 -3.905 1.00 0.00 H new ATOM 555 N PHE A 39 -4.169 -5.950 -2.013 1.00 0.00 N ATOM 556 CA PHE A 39 -5.182 -5.067 -1.466 1.00 0.00 C ATOM 557 C PHE A 39 -6.539 -5.755 -1.392 1.00 0.00 C ATOM 558 O PHE A 39 -7.207 -5.950 -2.408 1.00 0.00 O ATOM 559 CB PHE A 39 -5.279 -3.780 -2.273 1.00 0.00 C ATOM 560 CG PHE A 39 -4.751 -2.576 -1.546 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.412 -2.226 -1.631 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.597 -1.796 -0.776 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.930 -1.117 -0.961 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.122 -0.688 -0.104 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.787 -0.347 -0.196 1.00 0.00 C ATOM 0 H PHE A 39 -4.525 -6.667 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.879 -4.813 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.728 -3.903 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.321 -3.605 -2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.739 -2.825 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.642 -2.058 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.886 -0.852 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.793 -0.089 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.413 0.520 0.329 1.00 0.00 H new ATOM 575 N VAL A 40 -6.948 -6.105 -0.178 1.00 0.00 N ATOM 576 CA VAL A 40 -8.224 -6.749 0.043 1.00 0.00 C ATOM 577 C VAL A 40 -9.302 -5.691 0.260 1.00 0.00 C ATOM 578 O VAL A 40 -9.544 -5.244 1.382 1.00 0.00 O ATOM 579 CB VAL A 40 -8.155 -7.687 1.261 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.478 -8.396 1.463 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.019 -8.690 1.095 1.00 0.00 C ATOM 0 H VAL A 40 -6.404 -5.949 0.671 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.472 -7.344 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.954 -7.089 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.409 -9.055 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.264 -7.659 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.714 -8.985 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.983 -9.346 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.188 -9.285 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.073 -8.156 1.004 1.00 0.00 H new ATOM 585 N LEU A 41 -9.916 -5.277 -0.841 1.00 0.00 N ATOM 586 CA LEU A 41 -10.949 -4.246 -0.822 1.00 0.00 C ATOM 587 C LEU A 41 -12.338 -4.844 -0.627 1.00 0.00 C ATOM 588 O LEU A 41 -12.692 -5.837 -1.261 1.00 0.00 O ATOM 589 CB LEU A 41 -10.900 -3.469 -2.136 1.00 0.00 C ATOM 590 CG LEU A 41 -11.841 -2.270 -2.240 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.102 -0.977 -1.933 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.462 -2.217 -3.629 1.00 0.00 C ATOM 0 H LEU A 41 -9.714 -5.645 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.756 -3.580 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.879 -3.119 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.128 -4.157 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.636 -2.385 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.791 -0.136 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.698 -1.020 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.286 -0.846 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.132 -1.360 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.674 -2.121 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.025 -3.132 -3.811 1.00 0.00 H new ATOM 598 N ASN A 42 -13.127 -4.223 0.245 1.00 0.00 N ATOM 599 CA ASN A 42 -14.485 -4.695 0.506 1.00 0.00 C ATOM 600 C ASN A 42 -15.420 -3.563 0.920 1.00 0.00 C ATOM 601 O ASN A 42 -14.990 -2.479 1.317 1.00 0.00 O ATOM 602 CB ASN A 42 -14.504 -5.783 1.576 1.00 0.00 C ATOM 603 CG ASN A 42 -13.379 -6.780 1.411 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.334 -7.528 0.435 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.464 -6.796 2.367 1.00 0.00 N ATOM 0 H ASN A 42 -12.853 -3.398 0.779 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.845 -5.112 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.433 -5.321 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.458 -6.308 1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.681 -7.447 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.542 -6.157 3.158 1.00 0.00 H new ATOM 610 N LYS A 43 -16.709 -3.845 0.819 1.00 0.00 N ATOM 611 CA LYS A 43 -17.755 -2.892 1.169 1.00 0.00 C ATOM 612 C LYS A 43 -18.768 -3.550 2.094 1.00 0.00 C ATOM 613 O LYS A 43 -18.793 -4.773 2.234 1.00 0.00 O ATOM 614 CB LYS A 43 -18.483 -2.415 -0.098 1.00 0.00 C ATOM 615 CG LYS A 43 -19.987 -2.209 0.094 1.00 0.00 C ATOM 616 CD LYS A 43 -20.661 -1.759 -1.192 1.00 0.00 C ATOM 617 CE LYS A 43 -21.847 -0.851 -0.912 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.871 -1.520 -0.064 1.00 0.00 N ATOM 0 H LYS A 43 -17.063 -4.744 0.491 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.292 -2.041 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.037 -1.478 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.324 -3.144 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.441 -3.139 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.156 -1.466 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.939 -1.234 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.994 -2.632 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.501 0.056 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.300 -0.545 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.707 -0.907 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.146 -2.423 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.476 -1.698 0.882 1.00 0.00 H new ATOM 632 N VAL A 44 -19.628 -2.737 2.685 1.00 0.00 N ATOM 633 CA VAL A 44 -20.671 -3.241 3.549 1.00 0.00 C ATOM 634 C VAL A 44 -21.784 -2.209 3.735 1.00 0.00 C ATOM 635 O VAL A 44 -21.577 -1.014 3.538 1.00 0.00 O ATOM 636 CB VAL A 44 -20.131 -3.658 4.917 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.487 -5.035 4.846 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.153 -2.631 5.473 1.00 0.00 C ATOM 0 H VAL A 44 -19.620 -1.723 2.579 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.079 -4.124 3.057 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.977 -3.708 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.110 -5.311 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.227 -5.767 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.662 -5.015 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.791 -2.963 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.310 -2.524 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.657 -1.670 5.581 1.00 0.00 H new ATOM 642 N PRO A 45 -22.989 -2.658 4.115 1.00 0.00 N ATOM 643 CA PRO A 45 -24.132 -1.763 4.320 1.00 0.00 C ATOM 644 C PRO A 45 -23.797 -0.602 5.251 1.00 0.00 C ATOM 645 O PRO A 45 -24.210 0.534 5.018 1.00 0.00 O ATOM 646 CB PRO A 45 -25.205 -2.668 4.947 1.00 0.00 C ATOM 647 CG PRO A 45 -24.503 -3.933 5.317 1.00 0.00 C ATOM 648 CD PRO A 45 -23.343 -4.058 4.373 1.00 0.00 C ATOM 0 HA PRO A 45 -24.452 -1.298 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.651 -2.197 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.014 -2.861 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.161 -3.901 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.171 -4.790 5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.515 -4.610 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.620 -4.582 3.458 1.00 0.00 H new ATOM 656 N ASN A 46 -23.053 -0.900 6.309 1.00 0.00 N ATOM 657 CA ASN A 46 -22.665 0.114 7.284 1.00 0.00 C ATOM 658 C ASN A 46 -21.460 0.934 6.818 1.00 0.00 C ATOM 659 O ASN A 46 -20.951 1.769 7.567 1.00 0.00 O ATOM 660 CB ASN A 46 -22.351 -0.545 8.628 1.00 0.00 C ATOM 661 CG ASN A 46 -23.600 -0.986 9.363 1.00 0.00 C ATOM 662 OD1 ASN A 46 -24.653 -0.356 9.255 1.00 0.00 O ATOM 663 ND2 ASN A 46 -23.492 -2.074 10.117 1.00 0.00 N ATOM 0 H ASN A 46 -22.705 -1.837 6.515 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.507 0.797 7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.706 -1.408 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.795 0.155 9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.301 -2.418 10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.600 -2.566 10.178 1.00 0.00 H new ATOM 668 N GLY A 47 -20.996 0.699 5.589 1.00 0.00 N ATOM 669 CA GLY A 47 -19.856 1.431 5.088 1.00 0.00 C ATOM 670 C GLY A 47 -19.000 0.610 4.153 1.00 0.00 C ATOM 671 O GLY A 47 -19.475 -0.299 3.479 1.00 0.00 O ATOM 0 H GLY A 47 -21.391 0.018 4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.203 2.323 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.249 1.768 5.928 1.00 0.00 H new ATOM 675 N PHE A 48 -17.733 0.945 4.122 1.00 0.00 N ATOM 676 CA PHE A 48 -16.767 0.264 3.281 1.00 0.00 C ATOM 677 C PHE A 48 -15.622 -0.276 4.126 1.00 0.00 C ATOM 678 O PHE A 48 -15.042 0.458 4.931 1.00 0.00 O ATOM 679 CB PHE A 48 -16.199 1.232 2.250 1.00 0.00 C ATOM 680 CG PHE A 48 -17.103 1.525 1.091 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.043 0.751 -0.048 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.990 2.587 1.132 1.00 0.00 C ATOM 683 CE1 PHE A 48 -17.854 1.019 -1.131 1.00 0.00 C ATOM 684 CE2 PHE A 48 -18.804 2.866 0.050 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.734 2.078 -1.084 1.00 0.00 C ATOM 0 H PHE A 48 -17.337 1.701 4.681 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.272 -0.560 2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.957 2.170 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.263 0.824 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.351 -0.077 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.047 3.203 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -17.799 0.400 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.493 3.697 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.368 2.292 -1.932 1.00 0.00 H new ATOM 695 N SER A 49 -15.281 -1.543 3.930 1.00 0.00 N ATOM 696 CA SER A 49 -14.182 -2.147 4.664 1.00 0.00 C ATOM 697 C SER A 49 -13.057 -2.479 3.709 1.00 0.00 C ATOM 698 O SER A 49 -13.237 -3.208 2.736 1.00 0.00 O ATOM 699 CB SER A 49 -14.616 -3.398 5.415 1.00 0.00 C ATOM 700 OG SER A 49 -15.967 -3.724 5.145 1.00 0.00 O ATOM 0 H SER A 49 -15.748 -2.168 3.272 1.00 0.00 H new ATOM 0 HA SER A 49 -13.839 -1.426 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.976 -4.234 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.485 -3.244 6.486 1.00 0.00 H new ATOM 0 HG SER A 49 -16.214 -4.533 5.641 1.00 0.00 H new ATOM 706 N VAL A 50 -11.903 -1.925 3.992 1.00 0.00 N ATOM 707 CA VAL A 50 -10.734 -2.136 3.154 1.00 0.00 C ATOM 708 C VAL A 50 -9.584 -2.727 3.960 1.00 0.00 C ATOM 709 O VAL A 50 -9.492 -2.513 5.167 1.00 0.00 O ATOM 710 CB VAL A 50 -10.259 -0.820 2.502 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.752 -1.077 1.093 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.373 0.220 2.491 1.00 0.00 C ATOM 0 H VAL A 50 -11.742 -1.321 4.798 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.030 -2.835 2.371 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.437 -0.424 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.421 -0.138 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.916 -1.776 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.554 -1.501 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.010 1.137 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.222 -0.163 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.684 0.431 3.514 1.00 0.00 H new ATOM 716 N GLU A 51 -8.709 -3.459 3.283 1.00 0.00 N ATOM 717 CA GLU A 51 -7.554 -4.072 3.927 1.00 0.00 C ATOM 718 C GLU A 51 -6.411 -4.201 2.929 1.00 0.00 C ATOM 719 O GLU A 51 -6.621 -4.587 1.781 1.00 0.00 O ATOM 720 CB GLU A 51 -7.930 -5.439 4.505 1.00 0.00 C ATOM 721 CG GLU A 51 -6.738 -6.317 4.867 1.00 0.00 C ATOM 722 CD GLU A 51 -6.818 -6.858 6.282 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.946 -6.994 6.802 1.00 0.00 O ATOM 724 OE2 GLU A 51 -5.754 -7.148 6.867 1.00 0.00 O ATOM 0 H GLU A 51 -8.778 -3.644 2.282 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.226 -3.436 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.539 -5.288 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.550 -5.968 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.680 -7.150 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.820 -5.741 4.754 1.00 0.00 H new ATOM 731 N ALA A 52 -5.207 -3.864 3.366 1.00 0.00 N ATOM 732 CA ALA A 52 -4.039 -3.933 2.498 1.00 0.00 C ATOM 733 C ALA A 52 -2.986 -4.881 3.055 1.00 0.00 C ATOM 734 O ALA A 52 -2.929 -5.125 4.260 1.00 0.00 O ATOM 735 CB ALA A 52 -3.449 -2.546 2.299 1.00 0.00 C ATOM 0 H ALA A 52 -5.012 -3.541 4.314 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.362 -4.324 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.577 -2.612 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.195 -1.896 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.152 -2.135 3.264 1.00 0.00 H new ATOM 741 N SER A 53 -2.151 -5.403 2.162 1.00 0.00 N ATOM 742 CA SER A 53 -1.083 -6.319 2.542 1.00 0.00 C ATOM 743 C SER A 53 0.068 -6.230 1.544 1.00 0.00 C ATOM 744 O SER A 53 -0.038 -6.715 0.419 1.00 0.00 O ATOM 745 CB SER A 53 -1.604 -7.754 2.613 1.00 0.00 C ATOM 746 OG SER A 53 -2.709 -7.854 3.496 1.00 0.00 O ATOM 0 H SER A 53 -2.195 -5.205 1.162 1.00 0.00 H new ATOM 0 HA SER A 53 -0.720 -6.032 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.899 -8.087 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.806 -8.417 2.947 1.00 0.00 H new ATOM 0 HG SER A 53 -3.024 -8.782 3.522 1.00 0.00 H new ATOM 752 N ILE A 54 1.158 -5.593 1.958 1.00 0.00 N ATOM 753 CA ILE A 54 2.320 -5.424 1.089 1.00 0.00 C ATOM 754 C ILE A 54 3.602 -5.918 1.752 1.00 0.00 C ATOM 755 O ILE A 54 4.063 -5.347 2.737 1.00 0.00 O ATOM 756 CB ILE A 54 2.500 -3.947 0.693 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.168 -3.359 0.220 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.564 -3.818 -0.387 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.269 -1.930 -0.270 1.00 0.00 C ATOM 0 H ILE A 54 1.263 -5.186 2.887 1.00 0.00 H new ATOM 0 HA ILE A 54 2.133 -6.024 0.198 1.00 0.00 H new ATOM 0 HB ILE A 54 2.830 -3.385 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.772 -3.981 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.451 -3.402 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.682 -2.769 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.512 -4.204 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.262 -4.388 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.285 -1.584 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.634 -1.294 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.960 -1.882 -1.112 1.00 0.00 H new ATOM 763 N GLY A 55 4.180 -6.979 1.198 1.00 0.00 N ATOM 764 CA GLY A 55 5.399 -7.519 1.743 1.00 0.00 C ATOM 765 C GLY A 55 6.548 -6.555 1.651 1.00 0.00 C ATOM 766 O GLY A 55 6.706 -5.831 0.668 1.00 0.00 O ATOM 0 H GLY A 55 3.820 -7.471 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.238 -7.789 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.655 -8.436 1.213 1.00 0.00 H new ATOM 770 N THR A 56 7.352 -6.570 2.685 1.00 0.00 N ATOM 771 CA THR A 56 8.528 -5.714 2.768 1.00 0.00 C ATOM 772 C THR A 56 9.680 -6.458 3.429 1.00 0.00 C ATOM 773 O THR A 56 9.477 -7.149 4.428 1.00 0.00 O ATOM 774 CB THR A 56 8.250 -4.436 3.567 1.00 0.00 C ATOM 775 OG1 THR A 56 8.782 -4.539 4.883 1.00 0.00 O ATOM 776 CG2 THR A 56 6.781 -4.087 3.673 1.00 0.00 C ATOM 0 H THR A 56 7.217 -7.173 3.497 1.00 0.00 H new ATOM 0 HA THR A 56 8.791 -5.439 1.747 1.00 0.00 H new ATOM 0 HB THR A 56 8.740 -3.639 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.051 -4.674 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.666 -3.171 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.369 -3.939 2.675 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.249 -4.899 4.168 1.00 0.00 H new ATOM 781 N PRO A 57 10.913 -6.313 2.919 1.00 0.00 N ATOM 782 CA PRO A 57 12.070 -6.967 3.524 1.00 0.00 C ATOM 783 C PRO A 57 12.192 -6.630 5.009 1.00 0.00 C ATOM 784 O PRO A 57 12.931 -7.286 5.744 1.00 0.00 O ATOM 785 CB PRO A 57 13.265 -6.392 2.761 1.00 0.00 C ATOM 786 CG PRO A 57 12.706 -5.884 1.479 1.00 0.00 C ATOM 787 CD PRO A 57 11.282 -5.491 1.749 1.00 0.00 C ATOM 0 HA PRO A 57 11.999 -8.053 3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.744 -5.592 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.023 -7.155 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.280 -5.031 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.755 -6.651 0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.193 -4.426 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.639 -5.699 0.894 1.00 0.00 H new ATOM 795 N LEU A 58 11.466 -5.596 5.446 1.00 0.00 N ATOM 796 CA LEU A 58 11.506 -5.174 6.841 1.00 0.00 C ATOM 797 C LEU A 58 10.320 -5.746 7.615 1.00 0.00 C ATOM 798 O LEU A 58 10.373 -5.891 8.836 1.00 0.00 O ATOM 799 CB LEU A 58 11.510 -3.643 6.929 1.00 0.00 C ATOM 800 CG LEU A 58 12.890 -2.975 6.840 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.895 -3.686 7.734 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.388 -2.938 5.399 1.00 0.00 C ATOM 0 H LEU A 58 10.848 -5.041 4.854 1.00 0.00 H new ATOM 0 HA LEU A 58 12.423 -5.556 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.884 -3.250 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.045 -3.350 7.870 1.00 0.00 H new ATOM 0 HG LEU A 58 12.786 -1.948 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.865 -3.195 7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.553 -3.647 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.988 -4.726 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.367 -2.460 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.467 -3.955 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.686 -2.372 4.786 1.00 0.00 H new ATOM 808 N GLY A 59 9.253 -6.074 6.892 1.00 0.00 N ATOM 809 CA GLY A 59 8.068 -6.631 7.514 1.00 0.00 C ATOM 810 C GLY A 59 6.846 -6.529 6.622 1.00 0.00 C ATOM 811 O GLY A 59 6.565 -5.470 6.064 1.00 0.00 O ATOM 0 H GLY A 59 9.190 -5.962 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.248 -7.677 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.874 -6.111 8.452 1.00 0.00 H new ATOM 815 N ASN A 60 6.119 -7.633 6.486 1.00 0.00 N ATOM 816 CA ASN A 60 4.921 -7.661 5.656 1.00 0.00 C ATOM 817 C ASN A 60 3.936 -6.582 6.088 1.00 0.00 C ATOM 818 O ASN A 60 3.352 -6.661 7.169 1.00 0.00 O ATOM 819 CB ASN A 60 4.244 -9.022 5.751 1.00 0.00 C ATOM 820 CG ASN A 60 5.190 -10.169 5.455 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.371 -9.958 5.178 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.675 -11.392 5.514 1.00 0.00 N ATOM 0 H ASN A 60 6.339 -8.520 6.940 1.00 0.00 H new ATOM 0 HA ASN A 60 5.224 -7.474 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.829 -9.148 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.408 -9.057 5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.264 -12.203 5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.690 -11.520 5.748 1.00 0.00 H new ATOM 827 N LEU A 61 3.743 -5.581 5.240 1.00 0.00 N ATOM 828 CA LEU A 61 2.814 -4.503 5.549 1.00 0.00 C ATOM 829 C LEU A 61 1.382 -5.007 5.473 1.00 0.00 C ATOM 830 O LEU A 61 1.033 -5.771 4.576 1.00 0.00 O ATOM 831 CB LEU A 61 2.976 -3.324 4.580 1.00 0.00 C ATOM 832 CG LEU A 61 4.202 -2.432 4.801 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.782 -1.988 3.465 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.843 -1.216 5.646 1.00 0.00 C ATOM 0 H LEU A 61 4.213 -5.493 4.339 1.00 0.00 H new ATOM 0 HA LEU A 61 3.038 -4.160 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.017 -3.718 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.083 -2.702 4.645 1.00 0.00 H new ATOM 0 HG LEU A 61 4.953 -3.014 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.652 -1.355 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.079 -2.864 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.030 -1.427 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.729 -0.598 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.073 -0.635 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.469 -1.544 6.616 1.00 0.00 H new ATOM 840 N LEU A 62 0.557 -4.560 6.406 1.00 0.00 N ATOM 841 CA LEU A 62 -0.842 -4.946 6.440 1.00 0.00 C ATOM 842 C LEU A 62 -1.673 -3.826 7.041 1.00 0.00 C ATOM 843 O LEU A 62 -1.185 -3.046 7.854 1.00 0.00 O ATOM 844 CB LEU A 62 -1.041 -6.230 7.245 1.00 0.00 C ATOM 845 CG LEU A 62 -0.037 -7.345 6.951 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.110 -8.425 8.020 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.292 -7.937 5.571 1.00 0.00 C ATOM 0 H LEU A 62 0.836 -3.925 7.154 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.168 -5.132 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.989 -5.986 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.045 -6.608 7.054 1.00 0.00 H new ATOM 0 HG LEU A 62 0.967 -6.920 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.612 -9.210 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.120 -7.990 8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.114 -8.850 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.431 -8.729 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.301 -8.348 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.188 -7.158 4.816 1.00 0.00 H new ATOM 853 N ALA A 63 -2.926 -3.752 6.634 1.00 0.00 N ATOM 854 CA ALA A 63 -3.825 -2.722 7.135 1.00 0.00 C ATOM 855 C ALA A 63 -5.277 -3.093 6.878 1.00 0.00 C ATOM 856 O ALA A 63 -5.571 -3.973 6.070 1.00 0.00 O ATOM 857 CB ALA A 63 -3.497 -1.380 6.499 1.00 0.00 C ATOM 0 H ALA A 63 -3.347 -4.390 5.959 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.684 -2.642 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.177 -0.620 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.471 -1.104 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.608 -1.453 5.417 1.00 0.00 H new ATOM 863 N SER A 64 -6.183 -2.414 7.571 1.00 0.00 N ATOM 864 CA SER A 64 -7.609 -2.671 7.419 1.00 0.00 C ATOM 865 C SER A 64 -8.430 -1.609 8.142 1.00 0.00 C ATOM 866 O SER A 64 -8.094 -1.207 9.256 1.00 0.00 O ATOM 867 CB SER A 64 -7.959 -4.059 7.957 1.00 0.00 C ATOM 868 OG SER A 64 -7.084 -4.437 9.006 1.00 0.00 O ATOM 0 H SER A 64 -5.955 -1.682 8.243 1.00 0.00 H new ATOM 0 HA SER A 64 -7.850 -2.631 6.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.987 -4.063 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.901 -4.790 7.150 1.00 0.00 H new ATOM 0 HG SER A 64 -7.331 -5.327 9.333 1.00 0.00 H new ATOM 874 N ALA A 65 -9.504 -1.152 7.504 1.00 0.00 N ATOM 875 CA ALA A 65 -10.360 -0.133 8.100 1.00 0.00 C ATOM 876 C ALA A 65 -11.775 -0.180 7.531 1.00 0.00 C ATOM 877 O ALA A 65 -11.998 -0.662 6.419 1.00 0.00 O ATOM 878 CB ALA A 65 -9.754 1.247 7.891 1.00 0.00 C ATOM 0 H ALA A 65 -9.800 -1.469 6.581 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.427 -0.339 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.401 2.000 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.771 1.287 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.655 1.443 6.823 1.00 0.00 H new ATOM 884 N THR A 66 -12.725 0.333 8.309 1.00 0.00 N ATOM 885 CA THR A 66 -14.127 0.367 7.903 1.00 0.00 C ATOM 886 C THR A 66 -14.691 1.773 8.074 1.00 0.00 C ATOM 887 O THR A 66 -14.541 2.382 9.133 1.00 0.00 O ATOM 888 CB THR A 66 -14.944 -0.621 8.736 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.427 -1.934 8.613 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.408 -0.663 8.351 1.00 0.00 C ATOM 0 H THR A 66 -12.547 0.733 9.230 1.00 0.00 H new ATOM 0 HA THR A 66 -14.190 0.083 6.853 1.00 0.00 H new ATOM 0 HB THR A 66 -14.866 -0.263 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.964 -2.549 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.929 -1.384 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.849 0.324 8.488 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.501 -0.960 7.306 1.00 0.00 H new ATOM 895 N SER A 67 -15.338 2.293 7.034 1.00 0.00 N ATOM 896 CA SER A 67 -15.910 3.630 7.102 1.00 0.00 C ATOM 897 C SER A 67 -16.890 3.868 5.963 1.00 0.00 C ATOM 898 O SER A 67 -16.891 3.144 4.970 1.00 0.00 O ATOM 899 CB SER A 67 -14.800 4.678 7.049 1.00 0.00 C ATOM 900 OG SER A 67 -14.744 5.427 8.252 1.00 0.00 O ATOM 0 H SER A 67 -15.477 1.813 6.145 1.00 0.00 H new ATOM 0 HA SER A 67 -16.450 3.716 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.842 4.188 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.970 5.349 6.207 1.00 0.00 H new ATOM 0 HG SER A 67 -14.024 6.089 8.192 1.00 0.00 H new ATOM 906 N ASP A 68 -17.709 4.901 6.106 1.00 0.00 N ATOM 907 CA ASP A 68 -18.683 5.246 5.080 1.00 0.00 C ATOM 908 C ASP A 68 -18.033 6.055 3.960 1.00 0.00 C ATOM 909 O ASP A 68 -18.713 6.513 3.041 1.00 0.00 O ATOM 910 CB ASP A 68 -19.841 6.038 5.692 1.00 0.00 C ATOM 911 CG ASP A 68 -21.059 6.072 4.791 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.368 5.033 4.171 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.703 7.138 4.703 1.00 0.00 O ATOM 0 H ASP A 68 -17.718 5.514 6.921 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.070 4.319 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.114 5.595 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.513 7.058 5.894 1.00 0.00 H new ATOM 918 N ASP A 69 -16.713 6.233 4.037 1.00 0.00 N ATOM 919 CA ASP A 69 -15.988 6.988 3.026 1.00 0.00 C ATOM 920 C ASP A 69 -14.962 6.107 2.316 1.00 0.00 C ATOM 921 O ASP A 69 -13.854 5.898 2.805 1.00 0.00 O ATOM 922 CB ASP A 69 -15.302 8.197 3.657 1.00 0.00 C ATOM 923 CG ASP A 69 -16.250 9.366 3.845 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.066 9.324 4.789 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.177 10.325 3.047 1.00 0.00 O ATOM 0 H ASP A 69 -16.130 5.864 4.788 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.706 7.338 2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.885 7.912 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.467 8.507 3.028 1.00 0.00 H new ATOM 930 N MET A 70 -15.361 5.591 1.161 1.00 0.00 N ATOM 931 CA MET A 70 -14.528 4.716 0.342 1.00 0.00 C ATOM 932 C MET A 70 -13.054 5.136 0.310 1.00 0.00 C ATOM 933 O MET A 70 -12.184 4.445 0.858 1.00 0.00 O ATOM 934 CB MET A 70 -15.089 4.702 -1.082 1.00 0.00 C ATOM 935 CG MET A 70 -15.743 3.386 -1.467 1.00 0.00 C ATOM 936 SD MET A 70 -15.003 2.641 -2.930 1.00 0.00 S ATOM 937 CE MET A 70 -13.565 1.862 -2.206 1.00 0.00 C ATOM 0 H MET A 70 -16.282 5.769 0.761 1.00 0.00 H new ATOM 0 HA MET A 70 -14.556 3.723 0.790 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.820 5.504 -1.183 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.282 4.916 -1.783 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.667 2.690 -0.632 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.805 3.552 -1.647 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.702 2.017 -2.854 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.367 2.300 -1.228 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.748 0.793 -2.094 1.00 0.00 H new ATOM 947 N TYR A 71 -12.772 6.248 -0.357 1.00 0.00 N ATOM 948 CA TYR A 71 -11.401 6.721 -0.488 1.00 0.00 C ATOM 949 C TYR A 71 -10.805 7.111 0.849 1.00 0.00 C ATOM 950 O TYR A 71 -9.590 7.081 1.006 1.00 0.00 O ATOM 951 CB TYR A 71 -11.313 7.854 -1.508 1.00 0.00 C ATOM 952 CG TYR A 71 -10.974 7.337 -2.890 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.261 6.020 -3.236 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.363 8.144 -3.840 1.00 0.00 C ATOM 955 CE1 TYR A 71 -10.951 5.521 -4.479 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.049 7.652 -5.094 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.344 6.340 -5.408 1.00 0.00 C ATOM 958 OH TYR A 71 -10.036 5.849 -6.657 1.00 0.00 O ATOM 0 H TYR A 71 -13.470 6.836 -0.813 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.799 5.893 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.263 8.388 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.555 8.571 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.738 5.376 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.130 9.170 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.181 4.495 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.575 8.291 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.614 6.554 -7.191 1.00 0.00 H new ATOM 968 N LYS A 72 -11.651 7.425 1.823 1.00 0.00 N ATOM 969 CA LYS A 72 -11.163 7.755 3.152 1.00 0.00 C ATOM 970 C LYS A 72 -10.732 6.470 3.845 1.00 0.00 C ATOM 971 O LYS A 72 -9.720 6.430 4.539 1.00 0.00 O ATOM 972 CB LYS A 72 -12.226 8.441 3.970 1.00 0.00 C ATOM 973 CG LYS A 72 -11.715 9.025 5.277 1.00 0.00 C ATOM 974 CD LYS A 72 -12.501 10.262 5.678 1.00 0.00 C ATOM 975 CE LYS A 72 -12.683 10.339 7.186 1.00 0.00 C ATOM 976 NZ LYS A 72 -13.593 9.274 7.690 1.00 0.00 N ATOM 0 H LYS A 72 -12.665 7.457 1.718 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.320 8.440 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.670 9.240 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.020 7.727 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.787 8.275 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.660 9.280 5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.983 11.154 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.477 10.248 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.713 10.248 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.084 11.316 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.974 9.553 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.377 9.141 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.065 8.383 7.786 1.00 0.00 H new ATOM 990 N ALA A 73 -11.498 5.399 3.612 1.00 0.00 N ATOM 991 CA ALA A 73 -11.171 4.097 4.169 1.00 0.00 C ATOM 992 C ALA A 73 -9.835 3.683 3.594 1.00 0.00 C ATOM 993 O ALA A 73 -8.903 3.322 4.318 1.00 0.00 O ATOM 994 CB ALA A 73 -12.249 3.076 3.838 1.00 0.00 C ATOM 0 H ALA A 73 -12.344 5.415 3.043 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.115 4.151 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.980 2.111 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.201 3.405 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.339 2.980 2.756 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.729 3.826 2.275 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.483 3.557 1.582 1.00 0.00 C ATOM 1002 C ILE A 74 -7.457 4.551 2.107 1.00 0.00 C ATOM 1003 O ILE A 74 -6.286 4.229 2.318 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.661 3.704 0.054 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.282 2.430 -0.515 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.341 4.011 -0.643 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.538 2.669 -1.315 1.00 0.00 C ATOM 0 H ILE A 74 -10.493 4.127 1.670 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.154 2.534 1.764 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.327 4.547 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.549 1.931 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.509 1.750 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.510 4.107 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.933 4.944 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.635 3.202 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.920 1.718 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.289 3.139 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.314 3.323 -2.158 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.954 5.760 2.361 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.171 6.841 2.914 1.00 0.00 C ATOM 1013 C ASN A 75 -6.582 6.407 4.250 1.00 0.00 C ATOM 1014 O ASN A 75 -5.420 6.677 4.554 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.089 8.054 3.078 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.383 9.357 2.832 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.652 9.861 3.685 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.605 9.910 1.652 1.00 0.00 N ATOM 0 H ASN A 75 -8.927 6.010 2.183 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.344 7.104 2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.928 7.965 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.504 8.056 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.161 10.797 1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.220 9.450 0.981 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.400 5.707 5.027 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.986 5.192 6.324 1.00 0.00 C ATOM 1025 C GLU A 76 -5.973 4.063 6.142 1.00 0.00 C ATOM 1026 O GLU A 76 -4.866 4.111 6.687 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.206 4.691 7.102 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.291 5.235 8.519 1.00 0.00 C ATOM 1029 CD GLU A 76 -7.747 4.265 9.549 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -6.521 4.027 9.552 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -8.549 3.745 10.354 1.00 0.00 O ATOM 0 H GLU A 76 -8.363 5.482 4.777 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.515 5.995 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.110 4.968 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.179 3.602 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.736 6.171 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.330 5.464 8.755 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.352 3.049 5.357 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.469 1.917 5.090 1.00 0.00 C ATOM 1040 C VAL A 77 -4.097 2.407 4.671 1.00 0.00 C ATOM 1041 O VAL A 77 -3.080 2.004 5.234 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.014 1.009 3.975 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.280 -0.323 3.964 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.507 0.803 4.136 1.00 0.00 C ATOM 0 H VAL A 77 -7.261 2.992 4.899 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.408 1.343 6.015 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.842 1.499 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.679 -0.952 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.217 -0.151 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.416 -0.822 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.873 0.158 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.708 0.337 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.015 1.766 4.086 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.080 3.291 3.679 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.831 3.846 3.190 1.00 0.00 C ATOM 1050 C GLU A 78 -2.073 4.508 4.332 1.00 0.00 C ATOM 1051 O GLU A 78 -0.842 4.517 4.355 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.091 4.853 2.068 1.00 0.00 C ATOM 1053 CG GLU A 78 -2.104 4.749 0.917 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.055 5.842 0.948 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.359 6.944 1.451 1.00 0.00 O ATOM 1056 OE2 GLU A 78 0.073 5.597 0.469 1.00 0.00 O ATOM 0 H GLU A 78 -4.914 3.635 3.203 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.224 3.036 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.101 4.705 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.051 5.861 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.612 3.777 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.646 4.798 -0.027 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.822 5.046 5.290 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.227 5.689 6.449 1.00 0.00 C ATOM 1065 C GLU A 79 -1.571 4.642 7.337 1.00 0.00 C ATOM 1066 O GLU A 79 -0.446 4.825 7.805 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.286 6.464 7.237 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.796 7.806 7.758 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.602 8.972 7.220 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -3.386 9.354 6.051 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -4.450 9.502 7.967 1.00 0.00 O ATOM 0 H GLU A 79 -3.842 5.048 5.283 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.469 6.395 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.155 6.627 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.618 5.856 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.844 7.808 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.749 7.937 7.485 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.272 3.529 7.549 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.737 2.445 8.362 1.00 0.00 C ATOM 1080 C LYS A 80 -0.571 1.784 7.637 1.00 0.00 C ATOM 1081 O LYS A 80 0.446 1.444 8.244 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.827 1.413 8.672 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.154 1.302 10.154 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.654 1.262 10.394 1.00 0.00 C ATOM 1085 CE LYS A 80 -5.015 0.290 11.506 1.00 0.00 C ATOM 1086 NZ LYS A 80 -6.459 0.364 11.862 1.00 0.00 N ATOM 0 H LYS A 80 -3.204 3.358 7.171 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.381 2.857 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.733 1.678 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.508 0.438 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.695 0.401 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.722 2.149 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.009 2.260 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.163 0.971 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.770 -0.725 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.412 0.507 12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.664 -0.314 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.688 1.326 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.035 0.132 11.028 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.726 1.619 6.325 1.00 0.00 N ATOM 1101 CA LEU A 81 0.314 1.012 5.502 1.00 0.00 C ATOM 1102 C LEU A 81 1.550 1.910 5.458 1.00 0.00 C ATOM 1103 O LEU A 81 2.675 1.436 5.622 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.217 0.744 4.082 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.251 -0.728 3.649 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.097 -1.145 3.084 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.651 -1.632 4.809 1.00 0.00 C ATOM 0 H LEU A 81 -1.562 1.897 5.811 1.00 0.00 H new ATOM 0 HA LEU A 81 0.600 0.059 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.227 1.148 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.399 1.298 3.373 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.003 -0.835 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.057 -2.191 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.336 -0.526 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.866 -1.017 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.667 -2.669 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.070 -1.524 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.642 -1.351 5.165 1.00 0.00 H new ATOM 1113 N GLU A 82 1.339 3.212 5.258 1.00 0.00 N ATOM 1114 CA GLU A 82 2.449 4.158 5.220 1.00 0.00 C ATOM 1115 C GLU A 82 3.082 4.272 6.600 1.00 0.00 C ATOM 1116 O GLU A 82 4.296 4.125 6.756 1.00 0.00 O ATOM 1117 CB GLU A 82 1.971 5.526 4.743 1.00 0.00 C ATOM 1118 CG GLU A 82 3.086 6.410 4.208 1.00 0.00 C ATOM 1119 CD GLU A 82 2.754 7.015 2.859 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.182 6.299 2.010 1.00 0.00 O ATOM 1121 OE2 GLU A 82 3.067 8.206 2.650 1.00 0.00 O ATOM 0 H GLU A 82 0.419 3.630 5.121 1.00 0.00 H new ATOM 0 HA GLU A 82 3.196 3.791 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.223 5.388 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.479 6.038 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.285 7.210 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.001 5.823 4.124 1.00 0.00 H new ATOM 1128 N ARG A 83 2.247 4.512 7.607 1.00 0.00 N ATOM 1129 CA ARG A 83 2.725 4.616 8.979 1.00 0.00 C ATOM 1130 C ARG A 83 3.528 3.371 9.333 1.00 0.00 C ATOM 1131 O ARG A 83 4.645 3.456 9.852 1.00 0.00 O ATOM 1132 CB ARG A 83 1.552 4.781 9.947 1.00 0.00 C ATOM 1133 CG ARG A 83 1.965 5.257 11.330 1.00 0.00 C ATOM 1134 CD ARG A 83 0.791 5.248 12.295 1.00 0.00 C ATOM 1135 NE ARG A 83 1.146 5.813 13.595 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.439 5.619 14.706 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -0.660 4.877 14.680 1.00 0.00 N ATOM 1138 NH2 ARG A 83 0.833 6.170 15.847 1.00 0.00 N ATOM 0 H ARG A 83 1.241 4.637 7.498 1.00 0.00 H new ATOM 0 HA ARG A 83 3.364 5.495 9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.841 5.491 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.032 3.827 10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.759 4.616 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.374 6.265 11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.035 5.816 11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.439 4.225 12.428 1.00 0.00 H new ATOM 0 HE ARG A 83 1.985 6.390 13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.967 4.451 13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.198 4.732 15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.677 6.742 15.872 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.292 6.022 16.699 1.00 0.00 H new ATOM 1152 N GLN A 84 2.959 2.210 9.013 1.00 0.00 N ATOM 1153 CA GLN A 84 3.630 0.946 9.264 1.00 0.00 C ATOM 1154 C GLN A 84 4.930 0.897 8.470 1.00 0.00 C ATOM 1155 O GLN A 84 5.954 0.412 8.957 1.00 0.00 O ATOM 1156 CB GLN A 84 2.720 -0.225 8.895 1.00 0.00 C ATOM 1157 CG GLN A 84 1.717 -0.570 9.979 1.00 0.00 C ATOM 1158 CD GLN A 84 0.862 -1.771 9.628 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.371 -2.815 9.222 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.450 -1.627 9.782 1.00 0.00 N ATOM 0 H GLN A 84 2.039 2.123 8.581 1.00 0.00 H new ATOM 0 HA GLN A 84 3.862 0.865 10.326 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.184 0.016 7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.334 -1.101 8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.249 -0.768 10.910 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.072 0.290 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.830 -0.743 10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.077 -2.400 9.561 1.00 0.00 H new ATOM 1167 N LEU A 85 4.892 1.448 7.253 1.00 0.00 N ATOM 1168 CA LEU A 85 6.081 1.509 6.409 1.00 0.00 C ATOM 1169 C LEU A 85 7.177 2.249 7.168 1.00 0.00 C ATOM 1170 O LEU A 85 8.299 1.749 7.343 1.00 0.00 O ATOM 1171 CB LEU A 85 5.771 2.232 5.091 1.00 0.00 C ATOM 1172 CG LEU A 85 5.760 1.344 3.843 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.706 1.829 2.855 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.137 1.317 3.191 1.00 0.00 C ATOM 0 H LEU A 85 4.055 1.855 6.836 1.00 0.00 H new ATOM 0 HA LEU A 85 6.410 0.498 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.798 2.715 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.508 3.023 4.948 1.00 0.00 H new ATOM 0 HG LEU A 85 5.507 0.328 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.711 1.188 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.723 1.793 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.929 2.854 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.108 0.681 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.422 2.328 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.867 0.922 3.898 1.00 0.00 H new ATOM 1180 N ASN A 86 6.818 3.438 7.656 1.00 0.00 N ATOM 1181 CA ASN A 86 7.734 4.250 8.441 1.00 0.00 C ATOM 1182 C ASN A 86 8.198 3.454 9.651 1.00 0.00 C ATOM 1183 O ASN A 86 9.345 3.569 10.083 1.00 0.00 O ATOM 1184 CB ASN A 86 7.054 5.549 8.884 1.00 0.00 C ATOM 1185 CG ASN A 86 8.048 6.670 9.118 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.259 6.471 9.022 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.540 7.857 9.428 1.00 0.00 N ATOM 0 H ASN A 86 5.898 3.855 7.518 1.00 0.00 H new ATOM 0 HA ASN A 86 8.597 4.512 7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.335 5.857 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.492 5.368 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.160 8.649 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.529 7.977 9.497 1.00 0.00 H new ATOM 1192 N LYS A 87 7.301 2.618 10.173 1.00 0.00 N ATOM 1193 CA LYS A 87 7.626 1.770 11.310 1.00 0.00 C ATOM 1194 C LYS A 87 8.750 0.823 10.927 1.00 0.00 C ATOM 1195 O LYS A 87 9.773 0.743 11.607 1.00 0.00 O ATOM 1196 CB LYS A 87 6.406 0.960 11.747 1.00 0.00 C ATOM 1197 CG LYS A 87 5.993 1.210 13.190 1.00 0.00 C ATOM 1198 CD LYS A 87 4.595 1.801 13.278 1.00 0.00 C ATOM 1199 CE LYS A 87 4.507 2.865 14.360 1.00 0.00 C ATOM 1200 NZ LYS A 87 4.929 4.202 13.859 1.00 0.00 N ATOM 0 H LYS A 87 6.348 2.513 9.825 1.00 0.00 H new ATOM 0 HA LYS A 87 7.939 2.404 12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.568 1.199 11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.620 -0.101 11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.028 0.273 13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.705 1.888 13.661 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.321 2.235 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.876 1.008 13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.483 2.922 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.135 2.578 15.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.246 4.788 14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.710 4.088 13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.126 4.665 13.387 1.00 0.00 H new ATOM 1214 N LEU A 88 8.555 0.116 9.816 1.00 0.00 N ATOM 1215 CA LEU A 88 9.561 -0.817 9.326 1.00 0.00 C ATOM 1216 C LEU A 88 10.905 -0.111 9.214 1.00 0.00 C ATOM 1217 O LEU A 88 11.907 -0.565 9.766 1.00 0.00 O ATOM 1218 CB LEU A 88 9.172 -1.378 7.952 1.00 0.00 C ATOM 1219 CG LEU A 88 8.268 -2.621 7.935 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.400 -2.722 9.183 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.392 -2.605 6.693 1.00 0.00 C ATOM 0 H LEU A 88 7.714 0.172 9.242 1.00 0.00 H new ATOM 0 HA LEU A 88 9.629 -1.643 10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.671 -0.588 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.088 -1.618 7.413 1.00 0.00 H new ATOM 0 HG LEU A 88 8.917 -3.497 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.780 -3.616 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.037 -2.780 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.761 -1.842 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.754 -3.488 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.771 -1.709 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.022 -2.606 5.803 1.00 0.00 H new ATOM 1227 N GLN A 89 10.915 1.015 8.500 1.00 0.00 N ATOM 1228 CA GLN A 89 12.141 1.787 8.329 1.00 0.00 C ATOM 1229 C GLN A 89 12.633 2.313 9.674 1.00 0.00 C ATOM 1230 O GLN A 89 13.831 2.510 9.876 1.00 0.00 O ATOM 1231 CB GLN A 89 11.911 2.952 7.366 1.00 0.00 C ATOM 1232 CG GLN A 89 11.620 2.511 5.942 1.00 0.00 C ATOM 1233 CD GLN A 89 10.416 3.203 5.352 1.00 0.00 C ATOM 1234 OE1 GLN A 89 9.778 4.034 5.998 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.100 2.863 4.114 1.00 0.00 N ATOM 0 H GLN A 89 10.096 1.408 8.036 1.00 0.00 H new ATOM 0 HA GLN A 89 12.902 1.129 7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.078 3.554 7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.792 3.593 7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.491 2.712 5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.459 1.433 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.659 2.169 3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.298 3.295 3.655 1.00 0.00 H new ATOM 1242 N HIS A 90 11.696 2.532 10.590 1.00 0.00 N ATOM 1243 CA HIS A 90 12.021 3.029 11.922 1.00 0.00 C ATOM 1244 C HIS A 90 12.691 1.948 12.755 1.00 0.00 C ATOM 1245 O HIS A 90 13.849 2.073 13.150 1.00 0.00 O ATOM 1246 CB HIS A 90 10.753 3.490 12.636 1.00 0.00 C ATOM 1247 CG HIS A 90 10.343 4.890 12.296 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.248 5.891 12.016 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.117 5.453 12.190 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.596 7.010 11.753 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.301 6.770 11.851 1.00 0.00 N ATOM 0 H HIS A 90 10.701 2.372 10.433 1.00 0.00 H new ATOM 0 HA HIS A 90 12.707 3.868 11.807 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.938 2.811 12.384 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.907 3.418 13.713 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.170 4.958 12.344 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.046 7.959 11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.558 7.453 11.699 1.00 0.00 H new