USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 688 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 6 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.013) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -66:sc= 1.02 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.36! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0256) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -140:sc= 0 USER MOD Single : A 39 CYS SG : rot 106:sc= 0.348 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 40:sc= 0.233 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 52 SER OG : rot -130:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0.0607 (180deg=-0.0381) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -53:sc= 1.8 USER MOD Single : A 64 ASN : amide:sc= -1.15 K(o=-1.2,f=-6.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -2.67! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.875 9.196 2.177 1.00 5.02 N ATOM 2 CA MET A 1 18.860 8.926 3.256 1.00 4.66 C ATOM 3 C MET A 1 18.175 8.384 4.507 1.00 4.42 C ATOM 4 O MET A 1 18.053 9.083 5.514 1.00 4.63 O ATOM 5 CB MET A 1 19.602 10.226 3.580 1.00 4.39 C ATOM 6 CG MET A 1 20.958 10.005 4.231 1.00 4.63 C ATOM 7 SD MET A 1 21.478 11.401 5.248 1.00 5.44 S ATOM 8 CE MET A 1 23.142 10.901 5.688 1.00 5.68 C ATOM 0 H1 MET A 1 18.370 9.563 1.339 1.00 5.02 H new ATOM 0 H2 MET A 1 17.382 8.315 1.929 1.00 5.02 H new ATOM 0 H3 MET A 1 17.183 9.899 2.507 1.00 5.02 H new ATOM 0 HA MET A 1 19.564 8.168 2.913 1.00 4.66 H new ATOM 0 HB2 MET A 1 19.738 10.796 2.661 1.00 4.39 H new ATOM 0 HB3 MET A 1 18.984 10.832 4.243 1.00 4.39 H new ATOM 0 HG2 MET A 1 20.919 9.107 4.847 1.00 4.63 H new ATOM 0 HG3 MET A 1 21.704 9.828 3.456 1.00 4.63 H new ATOM 0 HE1 MET A 1 23.597 11.665 6.319 1.00 5.68 H new ATOM 0 HE2 MET A 1 23.107 9.956 6.231 1.00 5.68 H new ATOM 0 HE3 MET A 1 23.736 10.777 4.783 1.00 5.68 H new ATOM 20 N GLY A 2 17.734 7.132 4.437 1.00 4.11 N ATOM 21 CA GLY A 2 17.073 6.512 5.571 1.00 4.01 C ATOM 22 C GLY A 2 15.584 6.813 5.637 1.00 3.33 C ATOM 23 O GLY A 2 14.894 6.337 6.538 1.00 3.34 O ATOM 0 H GLY A 2 17.823 6.535 3.615 1.00 4.11 H new ATOM 0 HA2 GLY A 2 17.217 5.433 5.521 1.00 4.01 H new ATOM 0 HA3 GLY A 2 17.547 6.854 6.491 1.00 4.01 H new ATOM 27 N GLN A 3 15.083 7.601 4.688 1.00 2.87 N ATOM 28 CA GLN A 3 13.667 7.955 4.659 1.00 2.29 C ATOM 29 C GLN A 3 12.839 6.856 4.004 1.00 1.97 C ATOM 30 O GLN A 3 13.339 6.102 3.169 1.00 2.17 O ATOM 31 CB GLN A 3 13.464 9.272 3.911 1.00 2.41 C ATOM 32 CG GLN A 3 14.404 10.377 4.361 1.00 3.17 C ATOM 33 CD GLN A 3 14.373 11.578 3.436 1.00 3.60 C ATOM 34 OE1 GLN A 3 13.428 11.761 2.670 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.411 12.403 3.503 1.00 4.47 N ATOM 0 H GLN A 3 15.635 8.005 3.931 1.00 2.87 H new ATOM 0 HA GLN A 3 13.331 8.072 5.689 1.00 2.29 H new ATOM 0 HB2 GLN A 3 13.604 9.100 2.844 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.435 9.603 4.048 1.00 2.41 H new ATOM 0 HG2 GLN A 3 14.134 10.692 5.369 1.00 3.17 H new ATOM 0 HG3 GLN A 3 15.421 9.987 4.411 1.00 3.17 H new ATOM 0 HE21 GLN A 3 16.173 12.212 4.154 1.00 4.47 H new ATOM 0 HE22 GLN A 3 15.446 13.228 2.904 1.00 4.47 H new ATOM 44 N VAL A 4 11.568 6.773 4.390 1.00 1.57 N ATOM 45 CA VAL A 4 10.664 5.766 3.844 1.00 1.29 C ATOM 46 C VAL A 4 9.496 6.402 3.095 1.00 1.28 C ATOM 47 O VAL A 4 9.003 7.466 3.471 1.00 1.44 O ATOM 48 CB VAL A 4 10.099 4.839 4.947 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.224 4.189 5.737 1.00 1.39 C ATOM 50 CG2 VAL A 4 9.159 5.603 5.871 1.00 1.57 C ATOM 0 H VAL A 4 11.141 7.392 5.079 1.00 1.57 H new ATOM 0 HA VAL A 4 11.259 5.174 3.149 1.00 1.29 H new ATOM 0 HB VAL A 4 9.526 4.049 4.462 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.802 3.542 6.506 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.845 3.596 5.065 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.833 4.962 6.207 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.775 4.930 6.637 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.701 6.421 6.345 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.328 6.005 5.292 1.00 1.57 H new ATOM 60 N VAL A 5 9.045 5.719 2.051 1.00 1.14 N ATOM 61 CA VAL A 5 7.918 6.173 1.251 1.00 1.22 C ATOM 62 C VAL A 5 6.655 5.470 1.730 1.00 1.03 C ATOM 63 O VAL A 5 6.622 4.245 1.847 1.00 0.92 O ATOM 64 CB VAL A 5 8.126 5.874 -0.247 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.285 6.691 -0.798 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.358 4.383 -0.471 1.00 1.70 C ATOM 0 H VAL A 5 9.450 4.837 1.737 1.00 1.14 H new ATOM 0 HA VAL A 5 7.828 7.253 1.371 1.00 1.22 H new ATOM 0 HB VAL A 5 7.222 6.160 -0.784 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.417 6.467 -1.857 1.00 1.79 H new ATOM 0 HG12 VAL A 5 9.072 7.753 -0.676 1.00 1.79 H new ATOM 0 HG13 VAL A 5 10.197 6.439 -0.257 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.503 4.193 -1.535 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.245 4.066 0.078 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.493 3.823 -0.117 1.00 1.70 H new ATOM 76 N GLN A 6 5.631 6.250 2.046 1.00 1.03 N ATOM 77 CA GLN A 6 4.385 5.694 2.558 1.00 0.85 C ATOM 78 C GLN A 6 3.300 5.609 1.492 1.00 0.83 C ATOM 79 O GLN A 6 3.175 6.487 0.638 1.00 0.94 O ATOM 80 CB GLN A 6 3.891 6.536 3.733 1.00 0.83 C ATOM 81 CG GLN A 6 4.763 6.415 4.970 1.00 1.45 C ATOM 82 CD GLN A 6 5.294 7.753 5.449 1.00 1.81 C ATOM 83 OE1 GLN A 6 5.179 8.092 6.626 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.882 8.520 4.539 1.00 2.01 N ATOM 0 H GLN A 6 5.637 7.266 1.958 1.00 1.03 H new ATOM 0 HA GLN A 6 4.595 4.676 2.885 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.848 7.582 3.428 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.874 6.235 3.984 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.187 5.950 5.770 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.601 5.753 4.754 1.00 1.45 H new ATOM 0 HE21 GLN A 6 5.956 8.200 3.573 1.00 2.01 H new ATOM 0 HE22 GLN A 6 6.260 9.429 4.805 1.00 2.01 H new ATOM 93 N PHE A 7 2.503 4.546 1.571 1.00 0.74 N ATOM 94 CA PHE A 7 1.408 4.333 0.642 1.00 0.78 C ATOM 95 C PHE A 7 0.075 4.475 1.377 1.00 0.62 C ATOM 96 O PHE A 7 -0.074 4.009 2.513 1.00 0.55 O ATOM 97 CB PHE A 7 1.527 2.946 -0.010 1.00 0.86 C ATOM 98 CG PHE A 7 0.261 2.470 -0.666 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.163 3.018 -1.864 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.508 1.482 -0.074 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.331 2.588 -2.462 1.00 1.17 C ATOM 102 CE2 PHE A 7 -1.676 1.048 -0.666 1.00 1.29 C ATOM 103 CZ PHE A 7 -2.089 1.602 -1.862 1.00 1.29 C ATOM 0 H PHE A 7 2.601 3.816 2.277 1.00 0.74 H new ATOM 0 HA PHE A 7 1.454 5.084 -0.147 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.323 2.973 -0.755 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.825 2.223 0.749 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.426 3.790 -2.336 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.190 1.046 0.862 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -1.651 3.022 -3.398 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.267 0.276 -0.195 1.00 1.29 H new ATOM 0 HZ PHE A 7 -3.003 1.265 -2.327 1.00 1.29 H new ATOM 113 N LYS A 8 -0.885 5.123 0.722 1.00 0.60 N ATOM 114 CA LYS A 8 -2.204 5.335 1.304 1.00 0.54 C ATOM 115 C LYS A 8 -3.304 4.856 0.358 1.00 0.68 C ATOM 116 O LYS A 8 -3.195 4.996 -0.860 1.00 0.77 O ATOM 117 CB LYS A 8 -2.404 6.821 1.628 1.00 0.61 C ATOM 118 CG LYS A 8 -2.615 7.691 0.398 1.00 1.40 C ATOM 119 CD LYS A 8 -2.694 9.165 0.764 1.00 2.22 C ATOM 120 CE LYS A 8 -1.325 9.726 1.113 1.00 1.88 C ATOM 121 NZ LYS A 8 -1.109 11.078 0.526 1.00 2.42 N ATOM 0 H LYS A 8 -0.772 5.511 -0.215 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.266 4.754 2.224 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.264 6.927 2.289 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.534 7.185 2.175 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -1.797 7.533 -0.305 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.533 7.391 -0.108 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -3.117 9.726 -0.070 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -3.368 9.295 1.610 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.221 9.781 2.197 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.552 9.047 0.753 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -0.164 11.423 0.788 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -1.182 11.022 -0.510 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -1.830 11.733 0.889 1.00 2.42 H new ATOM 135 N LEU A 9 -4.369 4.298 0.931 1.00 0.86 N ATOM 136 CA LEU A 9 -5.504 3.801 0.150 1.00 1.06 C ATOM 137 C LEU A 9 -5.905 4.808 -0.926 1.00 1.74 C ATOM 138 O LEU A 9 -6.327 5.922 -0.619 1.00 2.24 O ATOM 139 CB LEU A 9 -6.681 3.526 1.093 1.00 1.28 C ATOM 140 CG LEU A 9 -7.966 2.978 0.452 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.650 4.046 -0.381 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.685 1.737 -0.377 1.00 1.96 C ATOM 0 H LEU A 9 -4.471 4.178 1.939 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.216 2.877 -0.351 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.350 2.817 1.852 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -6.927 4.454 1.609 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.643 2.689 1.256 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.557 3.636 -0.825 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.908 4.893 0.254 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.977 4.377 -1.172 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.614 1.375 -0.816 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.980 1.982 -1.171 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.259 0.962 0.261 1.00 1.96 H new ATOM 154 N SER A 10 -5.760 4.412 -2.188 1.00 2.11 N ATOM 155 CA SER A 10 -6.098 5.291 -3.301 1.00 2.83 C ATOM 156 C SER A 10 -6.777 4.527 -4.435 1.00 2.93 C ATOM 157 O SER A 10 -6.193 3.621 -5.028 1.00 3.26 O ATOM 158 CB SER A 10 -4.840 5.985 -3.822 1.00 3.76 C ATOM 159 OG SER A 10 -3.677 5.457 -3.207 1.00 4.49 O ATOM 0 H SER A 10 -5.413 3.493 -2.463 1.00 2.11 H new ATOM 0 HA SER A 10 -6.800 6.038 -2.932 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.773 5.860 -4.903 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.904 7.056 -3.628 1.00 3.76 H new ATOM 0 HG SER A 10 -3.684 5.675 -2.252 1.00 4.49 H new ATOM 165 N ASP A 11 -8.011 4.916 -4.732 1.00 3.22 N ATOM 166 CA ASP A 11 -8.788 4.296 -5.801 1.00 3.68 C ATOM 167 C ASP A 11 -10.181 4.919 -5.876 1.00 3.44 C ATOM 168 O ASP A 11 -10.735 5.093 -6.962 1.00 4.01 O ATOM 169 CB ASP A 11 -8.884 2.777 -5.614 1.00 4.18 C ATOM 170 CG ASP A 11 -9.173 2.367 -4.184 1.00 4.90 C ATOM 171 OD1 ASP A 11 -8.542 2.924 -3.264 1.00 5.41 O ATOM 172 OD2 ASP A 11 -10.033 1.483 -3.985 1.00 5.24 O ATOM 0 H ASP A 11 -8.500 5.666 -4.243 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.271 4.481 -6.743 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -9.669 2.387 -6.262 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -7.948 2.318 -5.934 1.00 4.18 H new ATOM 177 N ILE A 12 -10.733 5.276 -4.717 1.00 2.82 N ATOM 178 CA ILE A 12 -12.049 5.905 -4.659 1.00 2.70 C ATOM 179 C ILE A 12 -11.923 7.376 -4.277 1.00 2.96 C ATOM 180 O ILE A 12 -10.832 7.856 -3.968 1.00 3.29 O ATOM 181 CB ILE A 12 -12.992 5.215 -3.648 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.206 4.649 -2.458 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.807 4.127 -4.335 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.503 3.341 -2.750 1.00 1.97 C ATOM 0 H ILE A 12 -10.290 5.140 -3.808 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.480 5.805 -5.655 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.683 5.964 -3.260 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.466 5.384 -2.142 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.889 4.504 -1.621 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.465 3.652 -3.608 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.405 4.569 -5.132 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.134 3.381 -4.758 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -10.970 3.007 -1.859 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.238 2.589 -3.036 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.793 3.483 -3.565 1.00 1.97 H new ATOM 196 N GLY A 13 -13.044 8.088 -4.295 1.00 3.15 N ATOM 197 CA GLY A 13 -13.032 9.496 -3.942 1.00 3.67 C ATOM 198 C GLY A 13 -12.827 9.711 -2.454 1.00 3.84 C ATOM 199 O GLY A 13 -13.344 8.953 -1.634 1.00 3.63 O ATOM 0 H GLY A 13 -13.960 7.716 -4.547 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.238 10.000 -4.493 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -13.973 9.954 -4.247 1.00 3.67 H new ATOM 203 N GLU A 14 -12.063 10.742 -2.107 1.00 4.49 N ATOM 204 CA GLU A 14 -11.781 11.050 -0.709 1.00 4.81 C ATOM 205 C GLU A 14 -13.045 11.479 0.033 1.00 4.15 C ATOM 206 O GLU A 14 -13.259 12.666 0.278 1.00 4.04 O ATOM 207 CB GLU A 14 -10.724 12.153 -0.616 1.00 5.76 C ATOM 208 CG GLU A 14 -11.134 13.450 -1.293 1.00 6.16 C ATOM 209 CD GLU A 14 -10.075 13.971 -2.245 1.00 7.04 C ATOM 210 OE1 GLU A 14 -8.875 13.872 -1.909 1.00 7.20 O ATOM 211 OE2 GLU A 14 -10.443 14.476 -3.326 1.00 7.72 O ATOM 0 H GLU A 14 -11.628 11.379 -2.775 1.00 4.49 H new ATOM 0 HA GLU A 14 -11.402 10.143 -0.237 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -10.512 12.353 0.434 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -9.798 11.795 -1.066 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -12.063 13.292 -1.840 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -11.336 14.204 -0.533 1.00 6.16 H new ATOM 218 N GLY A 15 -13.878 10.505 0.392 1.00 3.81 N ATOM 219 CA GLY A 15 -15.105 10.808 1.108 1.00 3.32 C ATOM 220 C GLY A 15 -16.192 9.775 0.874 1.00 2.93 C ATOM 221 O GLY A 15 -17.139 9.675 1.654 1.00 3.13 O ATOM 0 H GLY A 15 -13.726 9.515 0.200 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -14.892 10.869 2.175 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -15.468 11.788 0.799 1.00 3.32 H new ATOM 225 N ILE A 16 -16.060 9.015 -0.207 1.00 2.53 N ATOM 226 CA ILE A 16 -17.041 7.992 -0.553 1.00 2.22 C ATOM 227 C ILE A 16 -16.750 6.670 0.161 1.00 1.91 C ATOM 228 O ILE A 16 -16.016 6.635 1.148 1.00 1.88 O ATOM 229 CB ILE A 16 -17.068 7.760 -2.081 1.00 2.22 C ATOM 230 CG1 ILE A 16 -15.807 7.020 -2.543 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.198 9.088 -2.811 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.101 5.738 -3.290 1.00 2.22 C ATOM 0 H ILE A 16 -15.281 9.088 -0.861 1.00 2.53 H new ATOM 0 HA ILE A 16 -18.016 8.353 -0.224 1.00 2.22 H new ATOM 0 HB ILE A 16 -17.933 7.140 -2.319 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.223 7.679 -3.185 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.190 6.792 -1.674 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.216 8.912 -3.887 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.122 9.581 -2.509 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -16.349 9.725 -2.562 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.164 5.267 -3.587 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.659 5.060 -2.644 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.692 5.962 -4.178 1.00 2.22 H new ATOM 244 N ARG A 17 -17.320 5.585 -0.358 1.00 1.82 N ATOM 245 CA ARG A 17 -17.112 4.263 0.212 1.00 1.64 C ATOM 246 C ARG A 17 -15.629 3.910 0.213 1.00 1.22 C ATOM 247 O ARG A 17 -14.864 4.397 -0.620 1.00 1.14 O ATOM 248 CB ARG A 17 -17.898 3.215 -0.580 1.00 1.77 C ATOM 249 CG ARG A 17 -18.422 2.071 0.273 1.00 2.27 C ATOM 250 CD ARG A 17 -19.476 2.546 1.259 1.00 2.75 C ATOM 251 NE ARG A 17 -19.344 1.892 2.558 1.00 3.16 N ATOM 252 CZ ARG A 17 -19.717 0.637 2.791 1.00 3.76 C ATOM 253 NH1 ARG A 17 -20.240 -0.093 1.815 1.00 4.04 N ATOM 254 NH2 ARG A 17 -19.568 0.111 3.999 1.00 4.40 N ATOM 0 H ARG A 17 -17.931 5.599 -1.175 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.470 4.271 1.241 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.738 3.702 -1.075 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.258 2.809 -1.363 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -18.846 1.301 -0.371 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -17.595 1.613 0.816 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -19.393 3.625 1.386 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -20.468 2.348 0.853 1.00 2.75 H new ATOM 0 HE ARG A 17 -18.944 2.427 3.329 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -20.356 0.308 0.884 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -20.526 -1.055 1.995 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -19.166 0.669 4.752 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -19.855 -0.852 4.175 1.00 4.40 H new ATOM 268 N GLU A 18 -15.231 3.066 1.152 1.00 1.16 N ATOM 269 CA GLU A 18 -13.841 2.649 1.268 1.00 0.91 C ATOM 270 C GLU A 18 -13.642 1.285 0.618 1.00 0.63 C ATOM 271 O GLU A 18 -14.608 0.663 0.175 1.00 0.66 O ATOM 272 CB GLU A 18 -13.432 2.626 2.736 1.00 1.29 C ATOM 273 CG GLU A 18 -13.446 4.008 3.370 1.00 1.64 C ATOM 274 CD GLU A 18 -14.400 4.105 4.544 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.270 3.219 4.678 1.00 2.11 O ATOM 276 OE2 GLU A 18 -14.279 5.068 5.330 1.00 2.17 O ATOM 0 H GLU A 18 -15.853 2.655 1.848 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.205 3.363 0.745 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.107 1.971 3.287 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.432 2.200 2.824 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.439 4.260 3.704 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.726 4.745 2.618 1.00 1.64 H new ATOM 283 N VAL A 19 -12.395 0.825 0.527 1.00 0.63 N ATOM 284 CA VAL A 19 -12.136 -0.464 -0.117 1.00 0.57 C ATOM 285 C VAL A 19 -11.305 -1.403 0.750 1.00 0.41 C ATOM 286 O VAL A 19 -10.491 -0.969 1.565 1.00 0.47 O ATOM 287 CB VAL A 19 -11.435 -0.281 -1.478 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.024 0.242 -1.290 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.425 -1.588 -2.258 1.00 1.16 C ATOM 0 H VAL A 19 -11.569 1.308 0.879 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.115 -0.920 -0.267 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.996 0.455 -2.053 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.548 0.364 -2.263 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.058 1.205 -0.780 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.450 -0.466 -0.692 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.926 -1.437 -3.215 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.892 -2.348 -1.687 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.450 -1.916 -2.431 1.00 1.16 H new ATOM 299 N THR A 20 -11.520 -2.701 0.550 1.00 0.37 N ATOM 300 CA THR A 20 -10.802 -3.728 1.292 1.00 0.30 C ATOM 301 C THR A 20 -9.646 -4.273 0.471 1.00 0.33 C ATOM 302 O THR A 20 -9.680 -4.252 -0.759 1.00 0.65 O ATOM 303 CB THR A 20 -11.719 -4.912 1.658 1.00 0.43 C ATOM 304 OG1 THR A 20 -13.091 -4.503 1.644 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.357 -5.478 3.025 1.00 0.54 C ATOM 0 H THR A 20 -12.191 -3.066 -0.126 1.00 0.37 H new ATOM 0 HA THR A 20 -10.436 -3.255 2.203 1.00 0.30 H new ATOM 0 HB THR A 20 -11.575 -5.694 0.912 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.662 -5.265 1.876 1.00 0.69 H new ATOM 0 HG21 THR A 20 -12.018 -6.312 3.260 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.324 -5.826 3.013 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.469 -4.701 3.782 1.00 0.54 H new ATOM 313 N VAL A 21 -8.628 -4.772 1.156 1.00 0.28 N ATOM 314 CA VAL A 21 -7.470 -5.338 0.480 1.00 0.25 C ATOM 315 C VAL A 21 -7.774 -6.755 0.004 1.00 0.29 C ATOM 316 O VAL A 21 -8.299 -7.571 0.757 1.00 0.33 O ATOM 317 CB VAL A 21 -6.233 -5.354 1.398 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.978 -5.679 0.600 1.00 1.39 C ATOM 319 CG2 VAL A 21 -6.087 -4.018 2.111 1.00 1.21 C ATOM 0 H VAL A 21 -8.580 -4.797 2.175 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.249 -4.706 -0.380 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.368 -6.132 2.149 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.115 -5.686 1.266 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.086 -6.659 0.136 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.833 -4.925 -0.174 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.209 -4.044 2.756 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.973 -3.223 1.374 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.975 -3.829 2.714 1.00 1.21 H new ATOM 329 N LYS A 22 -7.463 -7.036 -1.255 1.00 0.36 N ATOM 330 CA LYS A 22 -7.724 -8.352 -1.828 1.00 0.46 C ATOM 331 C LYS A 22 -6.537 -9.291 -1.635 1.00 0.52 C ATOM 332 O LYS A 22 -6.717 -10.488 -1.411 1.00 0.66 O ATOM 333 CB LYS A 22 -8.051 -8.226 -3.317 1.00 0.52 C ATOM 334 CG LYS A 22 -8.814 -9.417 -3.876 1.00 0.78 C ATOM 335 CD LYS A 22 -10.309 -9.285 -3.632 1.00 1.48 C ATOM 336 CE LYS A 22 -11.067 -10.502 -4.139 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.817 -10.211 -5.392 1.00 2.95 N ATOM 0 H LYS A 22 -7.031 -6.373 -1.898 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.580 -8.777 -1.305 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.638 -7.322 -3.476 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.123 -8.105 -3.875 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -8.625 -9.502 -4.946 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.448 -10.334 -3.414 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.495 -9.158 -2.565 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -10.682 -8.390 -4.129 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -10.366 -11.317 -4.317 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.762 -10.842 -3.371 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -12.319 -11.067 -5.703 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -12.505 -9.451 -5.216 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -11.152 -9.912 -6.133 1.00 2.95 H new ATOM 351 N GLU A 23 -5.326 -8.750 -1.727 1.00 0.46 N ATOM 352 CA GLU A 23 -4.123 -9.560 -1.565 1.00 0.56 C ATOM 353 C GLU A 23 -3.057 -8.827 -0.754 1.00 0.42 C ATOM 354 O GLU A 23 -2.886 -7.614 -0.880 1.00 0.42 O ATOM 355 CB GLU A 23 -3.558 -9.952 -2.933 1.00 0.73 C ATOM 356 CG GLU A 23 -4.390 -10.995 -3.663 1.00 1.09 C ATOM 357 CD GLU A 23 -3.837 -11.327 -5.036 1.00 1.33 C ATOM 358 OE1 GLU A 23 -3.478 -10.385 -5.774 1.00 1.63 O ATOM 359 OE2 GLU A 23 -3.764 -12.527 -5.373 1.00 2.13 O ATOM 0 H GLU A 23 -5.152 -7.762 -1.911 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.404 -10.460 -1.018 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.484 -9.060 -3.555 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.546 -10.334 -2.802 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -4.433 -11.904 -3.063 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -5.413 -10.632 -3.766 1.00 1.09 H new ATOM 366 N TRP A 24 -2.340 -9.583 0.073 1.00 0.35 N ATOM 367 CA TRP A 24 -1.277 -9.031 0.908 1.00 0.26 C ATOM 368 C TRP A 24 -0.031 -9.908 0.815 1.00 0.24 C ATOM 369 O TRP A 24 -0.058 -11.078 1.196 1.00 0.33 O ATOM 370 CB TRP A 24 -1.747 -8.929 2.362 1.00 0.37 C ATOM 371 CG TRP A 24 -2.346 -7.599 2.699 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.669 -7.322 2.879 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.646 -6.364 2.897 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.836 -5.993 3.178 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.610 -5.384 3.196 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.300 -5.992 2.852 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.272 -4.057 3.449 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.035 -4.674 3.103 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.947 -3.721 3.399 1.00 0.70 C ATOM 0 H TRP A 24 -2.478 -10.588 0.183 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.030 -8.031 0.551 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.482 -9.710 2.554 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.902 -9.117 3.024 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.469 -8.043 2.798 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.729 -5.534 3.358 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.465 -6.720 2.625 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -3.028 -3.320 3.676 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.072 -4.375 3.070 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.652 -2.700 3.592 1.00 0.70 H new ATOM 390 N TYR A 25 1.054 -9.347 0.287 1.00 0.20 N ATOM 391 CA TYR A 25 2.296 -10.100 0.127 1.00 0.31 C ATOM 392 C TYR A 25 3.427 -9.520 0.971 1.00 0.27 C ATOM 393 O TYR A 25 4.596 -9.624 0.602 1.00 0.36 O ATOM 394 CB TYR A 25 2.712 -10.112 -1.346 1.00 0.42 C ATOM 395 CG TYR A 25 2.643 -11.478 -1.992 1.00 0.70 C ATOM 396 CD1 TYR A 25 3.627 -12.430 -1.757 1.00 1.16 C ATOM 397 CD2 TYR A 25 1.596 -11.811 -2.841 1.00 1.07 C ATOM 398 CE1 TYR A 25 3.568 -13.677 -2.351 1.00 1.44 C ATOM 399 CE2 TYR A 25 1.529 -13.056 -3.437 1.00 1.34 C ATOM 400 CZ TYR A 25 2.518 -13.986 -3.189 1.00 1.36 C ATOM 401 OH TYR A 25 2.458 -15.228 -3.781 1.00 1.72 O ATOM 0 H TYR A 25 1.099 -8.380 -0.035 1.00 0.20 H new ATOM 0 HA TYR A 25 2.109 -11.117 0.470 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.071 -9.426 -1.900 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.731 -9.733 -1.429 1.00 0.42 H new ATOM 0 HD1 TYR A 25 4.451 -12.192 -1.100 1.00 1.16 H new ATOM 0 HD2 TYR A 25 0.821 -11.085 -3.039 1.00 1.07 H new ATOM 0 HE1 TYR A 25 4.341 -14.406 -2.159 1.00 1.44 H new ATOM 0 HE2 TYR A 25 0.707 -13.300 -4.094 1.00 1.34 H new ATOM 0 HH TYR A 25 1.655 -15.285 -4.341 1.00 1.72 H new ATOM 411 N VAL A 26 3.087 -8.907 2.100 1.00 0.22 N ATOM 412 CA VAL A 26 4.102 -8.320 2.968 1.00 0.22 C ATOM 413 C VAL A 26 3.618 -8.224 4.417 1.00 0.22 C ATOM 414 O VAL A 26 2.440 -8.437 4.704 1.00 0.31 O ATOM 415 CB VAL A 26 4.527 -6.923 2.462 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.859 -6.969 0.979 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.442 -5.889 2.726 1.00 0.40 C ATOM 0 H VAL A 26 2.128 -8.804 2.433 1.00 0.22 H new ATOM 0 HA VAL A 26 4.967 -8.982 2.940 1.00 0.22 H new ATOM 0 HB VAL A 26 5.420 -6.627 3.013 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.156 -5.976 0.642 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.677 -7.669 0.811 1.00 0.50 H new ATOM 0 HG13 VAL A 26 3.982 -7.295 0.420 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.770 -4.916 2.359 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.527 -6.182 2.211 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.251 -5.827 3.797 1.00 0.40 H new ATOM 427 N LYS A 27 4.539 -7.906 5.325 1.00 0.24 N ATOM 428 CA LYS A 27 4.209 -7.787 6.744 1.00 0.26 C ATOM 429 C LYS A 27 5.051 -6.705 7.419 1.00 0.29 C ATOM 430 O LYS A 27 6.055 -6.252 6.871 1.00 0.42 O ATOM 431 CB LYS A 27 4.422 -9.126 7.450 1.00 0.38 C ATOM 432 CG LYS A 27 3.193 -10.021 7.442 1.00 0.61 C ATOM 433 CD LYS A 27 2.862 -10.520 8.838 1.00 0.99 C ATOM 434 CE LYS A 27 1.389 -10.868 8.971 1.00 1.52 C ATOM 435 NZ LYS A 27 0.989 -11.957 8.038 1.00 1.89 N ATOM 0 H LYS A 27 5.518 -7.726 5.104 1.00 0.24 H new ATOM 0 HA LYS A 27 3.160 -7.501 6.821 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.248 -9.652 6.971 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.719 -8.940 8.482 1.00 0.38 H new ATOM 0 HG2 LYS A 27 2.343 -9.470 7.040 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.364 -10.871 6.781 1.00 0.61 H new ATOM 0 HD2 LYS A 27 3.466 -11.399 9.064 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.124 -9.756 9.570 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.179 -11.173 9.996 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.787 -9.981 8.773 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.005 -12.234 8.230 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 1.069 -11.621 7.057 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.613 -12.778 8.174 1.00 1.89 H new ATOM 449 N GLU A 28 4.632 -6.298 8.616 1.00 0.30 N ATOM 450 CA GLU A 28 5.343 -5.270 9.376 1.00 0.34 C ATOM 451 C GLU A 28 6.795 -5.671 9.606 1.00 0.38 C ATOM 452 O GLU A 28 7.079 -6.813 9.967 1.00 0.42 O ATOM 453 CB GLU A 28 4.655 -5.041 10.723 1.00 0.42 C ATOM 454 CG GLU A 28 3.138 -5.020 10.639 1.00 0.35 C ATOM 455 CD GLU A 28 2.513 -6.321 11.103 1.00 1.10 C ATOM 456 OE1 GLU A 28 2.477 -7.281 10.305 1.00 2.03 O ATOM 457 OE2 GLU A 28 2.059 -6.380 12.265 1.00 1.23 O ATOM 0 H GLU A 28 3.802 -6.665 9.082 1.00 0.30 H new ATOM 0 HA GLU A 28 5.324 -4.347 8.797 1.00 0.34 H new ATOM 0 HB2 GLU A 28 4.961 -5.826 11.415 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.000 -4.095 11.141 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.755 -4.200 11.246 1.00 0.35 H new ATOM 0 HG3 GLU A 28 2.837 -4.823 9.610 1.00 0.35 H new ATOM 464 N GLY A 29 7.717 -4.733 9.389 1.00 0.39 N ATOM 465 CA GLY A 29 9.122 -5.040 9.576 1.00 0.45 C ATOM 466 C GLY A 29 9.659 -5.958 8.492 1.00 0.40 C ATOM 467 O GLY A 29 10.799 -6.415 8.565 1.00 0.44 O ATOM 0 H GLY A 29 7.517 -3.778 9.091 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.697 -4.114 9.583 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.263 -5.509 10.550 1.00 0.45 H new ATOM 471 N ASP A 30 8.823 -6.251 7.496 1.00 0.34 N ATOM 472 CA ASP A 30 9.204 -7.144 6.410 1.00 0.31 C ATOM 473 C ASP A 30 9.686 -6.365 5.195 1.00 0.25 C ATOM 474 O ASP A 30 9.312 -5.210 4.993 1.00 0.24 O ATOM 475 CB ASP A 30 8.023 -8.036 6.022 1.00 0.31 C ATOM 476 CG ASP A 30 8.449 -9.458 5.713 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.390 -9.952 6.370 1.00 1.27 O ATOM 478 OD2 ASP A 30 7.843 -10.077 4.814 1.00 1.36 O ATOM 0 H ASP A 30 7.876 -5.880 7.422 1.00 0.34 H new ATOM 0 HA ASP A 30 10.027 -7.766 6.762 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.296 -8.046 6.834 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.522 -7.612 5.151 1.00 0.31 H new ATOM 483 N THR A 31 10.522 -7.008 4.389 1.00 0.23 N ATOM 484 CA THR A 31 11.061 -6.379 3.195 1.00 0.18 C ATOM 485 C THR A 31 10.305 -6.817 1.944 1.00 0.18 C ATOM 486 O THR A 31 9.897 -7.972 1.818 1.00 0.30 O ATOM 487 CB THR A 31 12.556 -6.697 3.016 1.00 0.19 C ATOM 488 OG1 THR A 31 13.161 -6.951 4.290 1.00 0.31 O ATOM 489 CG2 THR A 31 13.272 -5.544 2.330 1.00 0.30 C ATOM 0 H THR A 31 10.840 -7.965 4.543 1.00 0.23 H new ATOM 0 HA THR A 31 10.939 -5.304 3.328 1.00 0.18 H new ATOM 0 HB THR A 31 12.645 -7.585 2.391 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.112 -7.154 4.166 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.328 -5.789 2.213 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.829 -5.372 1.349 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.174 -4.643 2.935 1.00 0.30 H new ATOM 497 N VAL A 32 10.132 -5.876 1.026 1.00 0.14 N ATOM 498 CA VAL A 32 9.437 -6.121 -0.229 1.00 0.14 C ATOM 499 C VAL A 32 10.438 -6.351 -1.354 1.00 0.14 C ATOM 500 O VAL A 32 11.625 -6.061 -1.205 1.00 0.18 O ATOM 501 CB VAL A 32 8.503 -4.945 -0.636 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.073 -5.428 -0.757 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.578 -3.772 0.339 1.00 0.18 C ATOM 0 H VAL A 32 10.471 -4.920 1.131 1.00 0.14 H new ATOM 0 HA VAL A 32 8.824 -7.008 -0.071 1.00 0.14 H new ATOM 0 HB VAL A 32 8.851 -4.583 -1.604 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.431 -4.595 -1.042 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.015 -6.207 -1.517 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.742 -5.830 0.201 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.907 -2.980 0.007 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.282 -4.106 1.333 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.599 -3.392 0.373 1.00 0.18 H new ATOM 513 N SER A 33 9.949 -6.865 -2.477 1.00 0.23 N ATOM 514 CA SER A 33 10.797 -7.129 -3.633 1.00 0.31 C ATOM 515 C SER A 33 10.140 -6.620 -4.911 1.00 0.33 C ATOM 516 O SER A 33 9.037 -6.074 -4.880 1.00 0.35 O ATOM 517 CB SER A 33 11.078 -8.627 -3.755 1.00 0.38 C ATOM 518 OG SER A 33 12.362 -8.861 -4.307 1.00 1.42 O ATOM 0 H SER A 33 8.967 -7.108 -2.611 1.00 0.23 H new ATOM 0 HA SER A 33 11.740 -6.600 -3.491 1.00 0.31 H new ATOM 0 HB2 SER A 33 11.010 -9.094 -2.773 1.00 0.38 H new ATOM 0 HB3 SER A 33 10.318 -9.093 -4.383 1.00 0.38 H new ATOM 0 HG SER A 33 12.519 -9.826 -4.373 1.00 1.42 H new ATOM 524 N GLN A 34 10.824 -6.805 -6.035 1.00 0.37 N ATOM 525 CA GLN A 34 10.304 -6.366 -7.325 1.00 0.41 C ATOM 526 C GLN A 34 9.103 -7.209 -7.742 1.00 0.43 C ATOM 527 O GLN A 34 8.208 -6.731 -8.440 1.00 0.52 O ATOM 528 CB GLN A 34 11.397 -6.447 -8.392 1.00 0.44 C ATOM 529 CG GLN A 34 12.273 -5.207 -8.460 1.00 0.76 C ATOM 530 CD GLN A 34 13.752 -5.532 -8.396 1.00 1.54 C ATOM 531 OE1 GLN A 34 14.406 -5.706 -9.424 1.00 2.38 O ATOM 532 NE2 GLN A 34 14.288 -5.615 -7.183 1.00 1.72 N ATOM 0 H GLN A 34 11.738 -7.255 -6.079 1.00 0.37 H new ATOM 0 HA GLN A 34 9.980 -5.330 -7.226 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.025 -7.315 -8.192 1.00 0.44 H new ATOM 0 HB3 GLN A 34 10.932 -6.607 -9.365 1.00 0.44 H new ATOM 0 HG2 GLN A 34 12.063 -4.669 -9.384 1.00 0.76 H new ATOM 0 HG3 GLN A 34 12.016 -4.540 -7.637 1.00 0.76 H new ATOM 0 HE21 GLN A 34 13.708 -5.463 -6.358 1.00 1.72 H new ATOM 0 HE22 GLN A 34 15.279 -5.830 -7.077 1.00 1.72 H new ATOM 541 N PHE A 35 9.090 -8.464 -7.308 1.00 0.43 N ATOM 542 CA PHE A 35 7.999 -9.376 -7.631 1.00 0.48 C ATOM 543 C PHE A 35 7.016 -9.487 -6.468 1.00 0.43 C ATOM 544 O PHE A 35 5.872 -9.901 -6.651 1.00 0.47 O ATOM 545 CB PHE A 35 8.551 -10.759 -7.983 1.00 0.58 C ATOM 546 CG PHE A 35 7.485 -11.798 -8.193 1.00 0.99 C ATOM 547 CD1 PHE A 35 6.405 -11.543 -9.022 1.00 1.86 C ATOM 548 CD2 PHE A 35 7.565 -13.029 -7.562 1.00 1.12 C ATOM 549 CE1 PHE A 35 5.424 -12.497 -9.219 1.00 2.52 C ATOM 550 CE2 PHE A 35 6.587 -13.987 -7.755 1.00 1.64 C ATOM 551 CZ PHE A 35 5.515 -13.720 -8.584 1.00 2.31 C ATOM 0 H PHE A 35 9.824 -8.874 -6.730 1.00 0.43 H new ATOM 0 HA PHE A 35 7.467 -8.974 -8.493 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.153 -10.681 -8.888 1.00 0.58 H new ATOM 0 HB3 PHE A 35 9.216 -11.089 -7.185 1.00 0.58 H new ATOM 0 HD1 PHE A 35 6.328 -10.588 -9.520 1.00 1.86 H new ATOM 0 HD2 PHE A 35 8.401 -13.243 -6.912 1.00 1.12 H new ATOM 0 HE1 PHE A 35 4.587 -12.286 -9.869 1.00 2.52 H new ATOM 0 HE2 PHE A 35 6.661 -14.943 -7.258 1.00 1.64 H new ATOM 0 HZ PHE A 35 4.749 -14.466 -8.735 1.00 2.31 H new ATOM 561 N ASP A 36 7.468 -9.116 -5.273 1.00 0.36 N ATOM 562 CA ASP A 36 6.622 -9.177 -4.088 1.00 0.34 C ATOM 563 C ASP A 36 5.893 -7.857 -3.874 1.00 0.25 C ATOM 564 O ASP A 36 6.474 -6.886 -3.392 1.00 0.21 O ATOM 565 CB ASP A 36 7.459 -9.515 -2.853 1.00 0.41 C ATOM 566 CG ASP A 36 7.010 -10.800 -2.187 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.995 -11.848 -2.867 1.00 1.69 O ATOM 568 OD2 ASP A 36 6.673 -10.759 -0.985 1.00 0.84 O ATOM 0 H ASP A 36 8.412 -8.771 -5.101 1.00 0.36 H new ATOM 0 HA ASP A 36 5.881 -9.962 -4.242 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.507 -9.604 -3.140 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.394 -8.696 -2.137 1.00 0.41 H new ATOM 573 N SER A 37 4.615 -7.828 -4.235 1.00 0.26 N ATOM 574 CA SER A 37 3.807 -6.626 -4.078 1.00 0.21 C ATOM 575 C SER A 37 3.473 -6.390 -2.609 1.00 0.23 C ATOM 576 O SER A 37 3.490 -7.321 -1.804 1.00 0.28 O ATOM 577 CB SER A 37 2.519 -6.743 -4.895 1.00 0.25 C ATOM 578 OG SER A 37 1.480 -7.328 -4.129 1.00 0.94 O ATOM 0 H SER A 37 4.117 -8.622 -4.638 1.00 0.26 H new ATOM 0 HA SER A 37 4.383 -5.776 -4.444 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.211 -5.755 -5.237 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.703 -7.345 -5.785 1.00 0.25 H new ATOM 0 HG SER A 37 0.967 -7.946 -4.691 1.00 0.94 H new ATOM 584 N ILE A 38 3.166 -5.144 -2.264 1.00 0.22 N ATOM 585 CA ILE A 38 2.827 -4.802 -0.887 1.00 0.27 C ATOM 586 C ILE A 38 1.371 -5.140 -0.589 1.00 0.27 C ATOM 587 O ILE A 38 1.081 -6.072 0.163 1.00 0.27 O ATOM 588 CB ILE A 38 3.077 -3.309 -0.592 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.471 -2.901 -1.123 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.922 -3.043 0.904 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.243 -1.921 -0.252 1.00 0.47 C ATOM 0 H ILE A 38 3.145 -4.358 -2.914 1.00 0.22 H new ATOM 0 HA ILE A 38 3.476 -5.394 -0.242 1.00 0.27 H new ATOM 0 HB ILE A 38 2.338 -2.695 -1.107 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.072 -3.802 -1.246 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.349 -2.462 -2.113 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.100 -1.987 1.106 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.912 -3.308 1.218 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.643 -3.645 1.457 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.205 -1.702 -0.715 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.672 -0.998 -0.148 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.406 -2.359 0.733 1.00 0.47 H new ATOM 603 N CYS A 39 0.459 -4.383 -1.189 1.00 0.32 N ATOM 604 CA CYS A 39 -0.968 -4.606 -0.989 1.00 0.34 C ATOM 605 C CYS A 39 -1.742 -4.431 -2.291 1.00 0.40 C ATOM 606 O CYS A 39 -1.380 -3.616 -3.139 1.00 0.55 O ATOM 607 CB CYS A 39 -1.517 -3.650 0.073 1.00 0.40 C ATOM 608 SG CYS A 39 -0.736 -2.017 0.086 1.00 1.29 S ATOM 0 H CYS A 39 0.682 -3.611 -1.817 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.097 -5.633 -0.647 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.588 -3.526 -0.087 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.392 -4.107 1.055 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.552 -1.142 -0.421 1.00 1.29 H new ATOM 614 N GLU A 40 -2.814 -5.201 -2.436 1.00 0.36 N ATOM 615 CA GLU A 40 -3.650 -5.137 -3.628 1.00 0.44 C ATOM 616 C GLU A 40 -5.120 -5.006 -3.243 1.00 0.48 C ATOM 617 O GLU A 40 -5.640 -5.818 -2.481 1.00 0.50 O ATOM 618 CB GLU A 40 -3.449 -6.388 -4.487 1.00 0.57 C ATOM 619 CG GLU A 40 -2.024 -6.920 -4.477 1.00 1.15 C ATOM 620 CD GLU A 40 -1.102 -6.145 -5.398 1.00 1.65 C ATOM 621 OE1 GLU A 40 -0.756 -4.994 -5.061 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.725 -6.690 -6.457 1.00 2.37 O ATOM 0 H GLU A 40 -3.125 -5.879 -1.740 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.357 -4.259 -4.204 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -4.121 -7.171 -4.135 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.735 -6.161 -5.514 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.633 -6.879 -3.460 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -2.030 -7.969 -4.775 1.00 1.15 H new ATOM 629 N VAL A 41 -5.784 -3.983 -3.772 1.00 0.55 N ATOM 630 CA VAL A 41 -7.195 -3.758 -3.477 1.00 0.64 C ATOM 631 C VAL A 41 -8.026 -3.726 -4.756 1.00 0.92 C ATOM 632 O VAL A 41 -7.573 -3.232 -5.789 1.00 1.08 O ATOM 633 CB VAL A 41 -7.407 -2.448 -2.685 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.489 -2.411 -1.473 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.179 -1.227 -3.568 1.00 1.32 C ATOM 0 H VAL A 41 -5.370 -3.299 -4.405 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.528 -4.593 -2.860 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.441 -2.422 -2.342 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.648 -1.483 -0.924 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.709 -3.259 -0.824 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.451 -2.465 -1.801 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.335 -0.321 -2.983 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.159 -1.240 -3.951 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.880 -1.246 -4.403 1.00 1.32 H new ATOM 645 N GLN A 42 -9.241 -4.259 -4.682 1.00 1.03 N ATOM 646 CA GLN A 42 -10.130 -4.292 -5.838 1.00 1.34 C ATOM 647 C GLN A 42 -11.518 -3.770 -5.479 1.00 1.39 C ATOM 648 O GLN A 42 -12.176 -4.293 -4.580 1.00 1.38 O ATOM 649 CB GLN A 42 -10.234 -5.717 -6.383 1.00 1.58 C ATOM 650 CG GLN A 42 -8.887 -6.365 -6.655 1.00 1.80 C ATOM 651 CD GLN A 42 -9.007 -7.615 -7.504 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.107 -8.113 -7.744 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.872 -8.130 -7.963 1.00 2.60 N ATOM 0 H GLN A 42 -9.632 -4.673 -3.836 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.709 -3.643 -6.606 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.785 -6.330 -5.670 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -10.814 -5.702 -7.306 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.237 -5.649 -7.158 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.410 -6.617 -5.708 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -6.982 -7.684 -7.739 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.890 -8.971 -8.539 1.00 2.60 H new ATOM 662 N SER A 43 -11.958 -2.736 -6.190 1.00 1.55 N ATOM 663 CA SER A 43 -13.269 -2.143 -5.948 1.00 1.64 C ATOM 664 C SER A 43 -14.253 -2.525 -7.049 1.00 2.05 C ATOM 665 O SER A 43 -13.856 -2.815 -8.178 1.00 2.29 O ATOM 666 CB SER A 43 -13.155 -0.620 -5.858 1.00 1.43 C ATOM 667 OG SER A 43 -14.235 -0.069 -5.123 1.00 1.73 O ATOM 0 H SER A 43 -11.426 -2.292 -6.938 1.00 1.55 H new ATOM 0 HA SER A 43 -13.644 -2.530 -5.000 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.212 -0.350 -5.382 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.139 -0.194 -6.861 1.00 1.43 H new ATOM 0 HG SER A 43 -14.137 0.905 -5.079 1.00 1.73 H new ATOM 673 N ASP A 44 -15.539 -2.522 -6.712 1.00 2.23 N ATOM 674 CA ASP A 44 -16.582 -2.866 -7.671 1.00 2.66 C ATOM 675 C ASP A 44 -16.424 -2.065 -8.959 1.00 2.80 C ATOM 676 O ASP A 44 -16.861 -2.495 -10.026 1.00 3.14 O ATOM 677 CB ASP A 44 -17.963 -2.611 -7.065 1.00 2.85 C ATOM 678 CG ASP A 44 -19.067 -3.326 -7.820 1.00 3.67 C ATOM 679 OD1 ASP A 44 -19.091 -3.233 -9.065 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.907 -3.979 -7.166 1.00 4.39 O ATOM 0 H ASP A 44 -15.883 -2.285 -5.782 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.486 -3.925 -7.910 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -17.967 -2.938 -6.025 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.163 -1.540 -7.062 1.00 2.85 H new ATOM 685 N LYS A 45 -15.795 -0.899 -8.852 1.00 2.69 N ATOM 686 CA LYS A 45 -15.579 -0.037 -10.008 1.00 2.92 C ATOM 687 C LYS A 45 -14.275 -0.391 -10.715 1.00 3.03 C ATOM 688 O LYS A 45 -14.281 -0.844 -11.860 1.00 3.65 O ATOM 689 CB LYS A 45 -15.559 1.432 -9.578 1.00 2.89 C ATOM 690 CG LYS A 45 -15.306 2.399 -10.724 1.00 2.98 C ATOM 691 CD LYS A 45 -14.836 3.752 -10.216 1.00 3.17 C ATOM 692 CE LYS A 45 -13.448 3.664 -9.601 1.00 3.22 C ATOM 693 NZ LYS A 45 -12.682 4.928 -9.778 1.00 3.62 N ATOM 0 H LYS A 45 -15.426 -0.529 -7.976 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.402 -0.193 -10.705 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.512 1.678 -9.110 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.787 1.570 -8.821 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.556 1.981 -11.396 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -16.220 2.524 -11.305 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -14.826 4.467 -11.038 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -15.541 4.128 -9.474 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -13.535 3.438 -8.538 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -12.900 2.840 -10.058 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -11.742 4.828 -9.345 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -12.576 5.131 -10.793 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.192 5.710 -9.320 1.00 3.62 H new ATOM 707 N ALA A 46 -13.157 -0.182 -10.026 1.00 2.58 N ATOM 708 CA ALA A 46 -11.846 -0.478 -10.591 1.00 2.82 C ATOM 709 C ALA A 46 -10.975 -1.239 -9.596 1.00 2.68 C ATOM 710 O ALA A 46 -11.142 -1.111 -8.383 1.00 2.63 O ATOM 711 CB ALA A 46 -11.156 0.807 -11.020 1.00 2.83 C ATOM 0 H ALA A 46 -13.133 0.191 -9.077 1.00 2.58 H new ATOM 0 HA ALA A 46 -11.991 -1.112 -11.465 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.178 0.572 -11.440 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.762 1.312 -11.772 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.032 1.460 -10.156 1.00 2.83 H new ATOM 717 N SER A 47 -10.042 -2.027 -10.120 1.00 2.96 N ATOM 718 CA SER A 47 -9.138 -2.807 -9.284 1.00 2.92 C ATOM 719 C SER A 47 -7.704 -2.310 -9.435 1.00 2.26 C ATOM 720 O SER A 47 -7.168 -2.264 -10.542 1.00 2.31 O ATOM 721 CB SER A 47 -9.217 -4.290 -9.652 1.00 3.72 C ATOM 722 OG SER A 47 -8.963 -4.486 -11.032 1.00 4.52 O ATOM 0 H SER A 47 -9.892 -2.142 -11.122 1.00 2.96 H new ATOM 0 HA SER A 47 -9.443 -2.684 -8.245 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.494 -4.854 -9.062 1.00 3.72 H new ATOM 0 HB3 SER A 47 -10.204 -4.678 -9.402 1.00 3.72 H new ATOM 0 HG SER A 47 -8.242 -3.888 -11.320 1.00 4.52 H new ATOM 728 N VAL A 48 -7.088 -1.932 -8.319 1.00 2.12 N ATOM 729 CA VAL A 48 -5.714 -1.431 -8.338 1.00 1.80 C ATOM 730 C VAL A 48 -4.771 -2.371 -7.591 1.00 1.55 C ATOM 731 O VAL A 48 -5.172 -3.058 -6.651 1.00 1.97 O ATOM 732 CB VAL A 48 -5.584 -0.008 -7.731 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.790 0.893 -8.664 1.00 2.98 C ATOM 734 CG2 VAL A 48 -6.946 0.611 -7.428 1.00 3.50 C ATOM 0 H VAL A 48 -7.515 -1.962 -7.393 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.434 -1.382 -9.390 1.00 1.80 H new ATOM 0 HB VAL A 48 -5.051 -0.104 -6.785 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -4.707 1.888 -8.226 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -3.793 0.477 -8.811 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.300 0.961 -9.625 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -6.807 1.606 -7.005 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.525 0.686 -8.349 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -7.480 -0.016 -6.714 1.00 3.50 H new ATOM 744 N THR A 49 -3.514 -2.388 -8.020 1.00 1.13 N ATOM 745 CA THR A 49 -2.494 -3.233 -7.406 1.00 0.98 C ATOM 746 C THR A 49 -1.256 -2.413 -7.059 1.00 0.69 C ATOM 747 O THR A 49 -0.781 -1.619 -7.871 1.00 0.71 O ATOM 748 CB THR A 49 -2.091 -4.396 -8.331 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.340 -3.901 -9.446 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.321 -5.139 -8.832 1.00 1.46 C ATOM 0 H THR A 49 -3.174 -1.821 -8.797 1.00 1.13 H new ATOM 0 HA THR A 49 -2.925 -3.648 -6.495 1.00 0.98 H new ATOM 0 HB THR A 49 -1.474 -5.088 -7.758 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.087 -4.648 -10.027 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.012 -5.956 -9.484 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.874 -5.541 -7.983 1.00 1.46 H new ATOM 0 HG23 THR A 49 -3.959 -4.453 -9.389 1.00 1.46 H new ATOM 758 N ILE A 50 -0.746 -2.592 -5.844 1.00 0.66 N ATOM 759 CA ILE A 50 0.425 -1.847 -5.395 1.00 0.49 C ATOM 760 C ILE A 50 1.707 -2.662 -5.541 1.00 0.37 C ATOM 761 O ILE A 50 1.963 -3.589 -4.770 1.00 0.36 O ATOM 762 CB ILE A 50 0.279 -1.417 -3.924 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.086 -0.769 -3.694 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.398 -0.462 -3.537 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.304 0.486 -4.512 1.00 1.01 C ATOM 0 H ILE A 50 -1.123 -3.243 -5.156 1.00 0.66 H new ATOM 0 HA ILE A 50 0.491 -0.965 -6.031 1.00 0.49 H new ATOM 0 HB ILE A 50 0.351 -2.303 -3.293 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.867 -1.490 -3.935 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.191 -0.527 -2.636 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.280 -0.167 -2.494 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.360 -0.957 -3.668 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.356 0.424 -4.171 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.293 0.892 -4.299 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.545 1.225 -4.254 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.232 0.246 -5.573 1.00 1.01 H new ATOM 777 N THR A 51 2.515 -2.293 -6.530 1.00 0.41 N ATOM 778 CA THR A 51 3.781 -2.968 -6.783 1.00 0.44 C ATOM 779 C THR A 51 4.918 -2.265 -6.050 1.00 0.40 C ATOM 780 O THR A 51 4.695 -1.286 -5.338 1.00 0.50 O ATOM 781 CB THR A 51 4.105 -3.019 -8.288 1.00 0.56 C ATOM 782 OG1 THR A 51 3.017 -2.472 -9.043 1.00 0.79 O ATOM 783 CG2 THR A 51 4.372 -4.448 -8.734 1.00 1.04 C ATOM 0 H THR A 51 2.313 -1.526 -7.172 1.00 0.41 H new ATOM 0 HA THR A 51 3.681 -3.989 -6.414 1.00 0.44 H new ATOM 0 HB THR A 51 5.002 -2.426 -8.465 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.232 -2.507 -9.999 1.00 0.79 H new ATOM 0 HG21 THR A 51 4.599 -4.460 -9.800 1.00 1.04 H new ATOM 0 HG22 THR A 51 5.219 -4.850 -8.178 1.00 1.04 H new ATOM 0 HG23 THR A 51 3.490 -5.059 -8.544 1.00 1.04 H new ATOM 791 N SER A 52 6.133 -2.770 -6.219 1.00 0.49 N ATOM 792 CA SER A 52 7.293 -2.184 -5.562 1.00 0.56 C ATOM 793 C SER A 52 8.328 -1.705 -6.577 1.00 0.56 C ATOM 794 O SER A 52 8.914 -0.634 -6.417 1.00 0.66 O ATOM 795 CB SER A 52 7.928 -3.198 -4.611 1.00 0.63 C ATOM 796 OG SER A 52 8.002 -2.684 -3.292 1.00 1.36 O ATOM 0 H SER A 52 6.340 -3.580 -6.803 1.00 0.49 H new ATOM 0 HA SER A 52 6.951 -1.319 -4.994 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.344 -4.119 -4.614 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.928 -3.453 -4.962 1.00 0.63 H new ATOM 0 HG SER A 52 8.911 -2.804 -2.945 1.00 1.36 H new ATOM 802 N ARG A 53 8.566 -2.511 -7.612 1.00 0.54 N ATOM 803 CA ARG A 53 9.552 -2.170 -8.639 1.00 0.63 C ATOM 804 C ARG A 53 10.966 -2.126 -8.052 1.00 0.58 C ATOM 805 O ARG A 53 11.899 -1.646 -8.695 1.00 0.68 O ATOM 806 CB ARG A 53 9.221 -0.814 -9.268 1.00 0.83 C ATOM 807 CG ARG A 53 7.732 -0.540 -9.394 1.00 1.39 C ATOM 808 CD ARG A 53 7.043 -1.596 -10.245 1.00 2.19 C ATOM 809 NE ARG A 53 7.097 -1.270 -11.669 1.00 2.73 N ATOM 810 CZ ARG A 53 6.233 -0.460 -12.276 1.00 3.54 C ATOM 811 NH1 ARG A 53 5.258 0.116 -11.584 1.00 4.04 N ATOM 812 NH2 ARG A 53 6.349 -0.218 -13.575 1.00 4.23 N ATOM 0 H ARG A 53 8.092 -3.402 -7.762 1.00 0.54 H new ATOM 0 HA ARG A 53 9.514 -2.945 -9.405 1.00 0.63 H new ATOM 0 HB2 ARG A 53 9.676 -0.026 -8.668 1.00 0.83 H new ATOM 0 HB3 ARG A 53 9.675 -0.763 -10.258 1.00 0.83 H new ATOM 0 HG2 ARG A 53 7.280 -0.518 -8.403 1.00 1.39 H new ATOM 0 HG3 ARG A 53 7.578 0.444 -9.837 1.00 1.39 H new ATOM 0 HD2 ARG A 53 7.516 -2.563 -10.076 1.00 2.19 H new ATOM 0 HD3 ARG A 53 6.003 -1.691 -9.934 1.00 2.19 H new ATOM 0 HE ARG A 53 7.840 -1.687 -12.230 1.00 2.73 H new ATOM 0 HH11 ARG A 53 5.169 -0.062 -10.584 1.00 4.04 H new ATOM 0 HH12 ARG A 53 4.598 0.736 -12.053 1.00 4.04 H new ATOM 0 HH21 ARG A 53 7.101 -0.653 -14.110 1.00 4.23 H new ATOM 0 HH22 ARG A 53 5.686 0.403 -14.039 1.00 4.23 H new ATOM 826 N TYR A 54 11.110 -2.612 -6.822 1.00 0.45 N ATOM 827 CA TYR A 54 12.387 -2.620 -6.129 1.00 0.41 C ATOM 828 C TYR A 54 12.218 -3.305 -4.783 1.00 0.31 C ATOM 829 O TYR A 54 11.099 -3.625 -4.384 1.00 0.28 O ATOM 830 CB TYR A 54 12.903 -1.193 -5.932 1.00 0.50 C ATOM 831 CG TYR A 54 14.138 -0.873 -6.744 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.259 -1.691 -6.690 1.00 1.77 C ATOM 833 CD2 TYR A 54 14.182 0.249 -7.563 1.00 1.89 C ATOM 834 CE1 TYR A 54 16.390 -1.402 -7.429 1.00 2.59 C ATOM 835 CE2 TYR A 54 15.310 0.545 -8.305 1.00 2.72 C ATOM 836 CZ TYR A 54 16.411 -0.283 -8.234 1.00 2.95 C ATOM 837 OH TYR A 54 17.535 0.008 -8.972 1.00 3.88 O ATOM 0 H TYR A 54 10.342 -3.010 -6.281 1.00 0.45 H new ATOM 0 HA TYR A 54 13.116 -3.164 -6.729 1.00 0.41 H new ATOM 0 HB2 TYR A 54 12.113 -0.491 -6.198 1.00 0.50 H new ATOM 0 HB3 TYR A 54 13.124 -1.039 -4.876 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.246 -2.568 -6.060 1.00 1.77 H new ATOM 0 HD2 TYR A 54 13.322 0.899 -7.621 1.00 1.89 H new ATOM 0 HE1 TYR A 54 17.253 -2.049 -7.376 1.00 2.59 H new ATOM 0 HE2 TYR A 54 15.329 1.420 -8.937 1.00 2.72 H new ATOM 0 HH TYR A 54 17.385 0.829 -9.486 1.00 3.88 H new ATOM 847 N ASP A 55 13.313 -3.518 -4.072 1.00 0.30 N ATOM 848 CA ASP A 55 13.225 -4.152 -2.765 1.00 0.24 C ATOM 849 C ASP A 55 13.203 -3.082 -1.685 1.00 0.23 C ATOM 850 O ASP A 55 14.134 -2.286 -1.560 1.00 0.28 O ATOM 851 CB ASP A 55 14.383 -5.126 -2.530 1.00 0.28 C ATOM 852 CG ASP A 55 15.668 -4.698 -3.214 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.869 -3.477 -3.387 1.00 1.33 O ATOM 854 OD2 ASP A 55 16.472 -5.582 -3.575 1.00 1.52 O ATOM 0 H ASP A 55 14.256 -3.267 -4.369 1.00 0.30 H new ATOM 0 HA ASP A 55 12.302 -4.731 -2.726 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.562 -5.217 -1.459 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.098 -6.114 -2.891 1.00 0.28 H new ATOM 859 N GLY A 56 12.111 -3.049 -0.930 1.00 0.18 N ATOM 860 CA GLY A 56 11.959 -2.046 0.105 1.00 0.18 C ATOM 861 C GLY A 56 11.709 -2.626 1.476 1.00 0.15 C ATOM 862 O GLY A 56 11.398 -3.800 1.613 1.00 0.15 O ATOM 0 H GLY A 56 11.329 -3.699 -1.017 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.858 -1.431 0.138 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.132 -1.387 -0.158 1.00 0.18 H new ATOM 866 N VAL A 57 11.855 -1.796 2.499 1.00 0.18 N ATOM 867 CA VAL A 57 11.648 -2.245 3.874 1.00 0.21 C ATOM 868 C VAL A 57 10.322 -1.743 4.446 1.00 0.22 C ATOM 869 O VAL A 57 10.105 -0.539 4.559 1.00 0.26 O ATOM 870 CB VAL A 57 12.794 -1.780 4.792 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.586 -2.294 6.209 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.137 -2.238 4.243 1.00 1.11 C ATOM 0 H VAL A 57 12.114 -0.814 2.407 1.00 0.18 H new ATOM 0 HA VAL A 57 11.627 -3.334 3.840 1.00 0.21 H new ATOM 0 HB VAL A 57 12.792 -0.690 4.822 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.406 -1.955 6.843 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.643 -1.912 6.600 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.560 -3.384 6.201 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.935 -1.900 4.905 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.153 -3.326 4.181 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.287 -1.816 3.249 1.00 1.11 H new ATOM 882 N ILE A 58 9.448 -2.678 4.823 1.00 0.21 N ATOM 883 CA ILE A 58 8.149 -2.334 5.401 1.00 0.24 C ATOM 884 C ILE A 58 8.204 -2.442 6.919 1.00 0.33 C ATOM 885 O ILE A 58 8.695 -3.438 7.466 1.00 0.38 O ATOM 886 CB ILE A 58 7.030 -3.235 4.852 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.066 -3.223 3.326 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.668 -2.777 5.354 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.456 -4.453 2.698 1.00 0.17 C ATOM 0 H ILE A 58 9.617 -3.680 4.738 1.00 0.21 H new ATOM 0 HA ILE A 58 7.922 -1.306 5.119 1.00 0.24 H new ATOM 0 HB ILE A 58 7.193 -4.252 5.208 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.537 -2.341 2.965 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.101 -3.132 2.996 1.00 0.20 H new ATOM 0 HG21 ILE A 58 4.894 -3.430 4.952 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.649 -2.819 6.443 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.485 -1.753 5.027 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.517 -4.375 1.612 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.999 -5.338 3.029 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.411 -4.535 2.998 1.00 0.17 H new ATOM 901 N LYS A 59 7.732 -1.390 7.587 1.00 0.40 N ATOM 902 CA LYS A 59 7.770 -1.317 9.045 1.00 0.53 C ATOM 903 C LYS A 59 6.454 -1.727 9.705 1.00 0.52 C ATOM 904 O LYS A 59 6.469 -2.439 10.709 1.00 0.61 O ATOM 905 CB LYS A 59 8.142 0.111 9.459 1.00 0.65 C ATOM 906 CG LYS A 59 8.086 0.374 10.956 1.00 0.83 C ATOM 907 CD LYS A 59 7.554 1.770 11.244 1.00 1.03 C ATOM 908 CE LYS A 59 8.682 2.763 11.466 1.00 1.51 C ATOM 909 NZ LYS A 59 8.729 3.246 12.873 1.00 2.14 N ATOM 0 H LYS A 59 7.317 -0.573 7.138 1.00 0.40 H new ATOM 0 HA LYS A 59 8.519 -2.030 9.390 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.149 0.327 9.103 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.471 0.807 8.956 1.00 0.65 H new ATOM 0 HG2 LYS A 59 7.448 -0.368 11.436 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.082 0.264 11.386 1.00 0.83 H new ATOM 0 HD2 LYS A 59 6.934 2.103 10.412 1.00 1.03 H new ATOM 0 HD3 LYS A 59 6.914 1.742 12.126 1.00 1.03 H new ATOM 0 HE2 LYS A 59 9.633 2.295 11.211 1.00 1.51 H new ATOM 0 HE3 LYS A 59 8.555 3.612 10.795 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 9.512 3.921 12.982 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 7.832 3.716 13.109 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 8.876 2.439 13.512 1.00 2.14 H new ATOM 923 N LYS A 60 5.321 -1.284 9.172 1.00 0.44 N ATOM 924 CA LYS A 60 4.044 -1.643 9.783 1.00 0.45 C ATOM 925 C LYS A 60 2.907 -1.733 8.768 1.00 0.37 C ATOM 926 O LYS A 60 2.932 -1.099 7.715 1.00 0.53 O ATOM 927 CB LYS A 60 3.704 -0.658 10.920 1.00 0.55 C ATOM 928 CG LYS A 60 2.839 0.530 10.513 1.00 0.76 C ATOM 929 CD LYS A 60 3.517 1.384 9.454 1.00 0.51 C ATOM 930 CE LYS A 60 2.814 2.723 9.266 1.00 0.71 C ATOM 931 NZ LYS A 60 1.364 2.661 9.610 1.00 1.35 N ATOM 0 H LYS A 60 5.257 -0.693 8.343 1.00 0.44 H new ATOM 0 HA LYS A 60 4.154 -2.643 10.202 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.192 -1.205 11.712 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.635 -0.281 11.343 1.00 0.55 H new ATOM 0 HG2 LYS A 60 1.883 0.170 10.133 1.00 0.76 H new ATOM 0 HG3 LYS A 60 2.624 1.141 11.390 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.555 1.556 9.737 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.530 0.845 8.507 1.00 0.51 H new ATOM 0 HE2 LYS A 60 3.300 3.475 9.888 1.00 0.71 H new ATOM 0 HE3 LYS A 60 2.925 3.046 8.231 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 0.894 3.533 9.292 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 0.930 1.842 9.138 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 1.255 2.565 10.640 1.00 1.35 H new ATOM 945 N LEU A 61 1.908 -2.531 9.122 1.00 0.35 N ATOM 946 CA LEU A 61 0.731 -2.735 8.290 1.00 0.37 C ATOM 947 C LEU A 61 -0.522 -2.704 9.157 1.00 0.56 C ATOM 948 O LEU A 61 -0.615 -3.426 10.150 1.00 0.94 O ATOM 949 CB LEU A 61 0.825 -4.070 7.553 1.00 0.39 C ATOM 950 CG LEU A 61 1.667 -4.043 6.279 1.00 0.33 C ATOM 951 CD1 LEU A 61 1.543 -5.359 5.530 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.246 -2.880 5.395 1.00 0.91 C ATOM 0 H LEU A 61 1.892 -3.056 9.996 1.00 0.35 H new ATOM 0 HA LEU A 61 0.677 -1.935 7.552 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.242 -4.814 8.231 1.00 0.39 H new ATOM 0 HB3 LEU A 61 -0.182 -4.400 7.299 1.00 0.39 H new ATOM 0 HG LEU A 61 2.713 -3.906 6.555 1.00 0.33 H new ATOM 0 HD11 LEU A 61 2.150 -5.321 4.625 1.00 1.14 H new ATOM 0 HD12 LEU A 61 1.890 -6.174 6.166 1.00 1.14 H new ATOM 0 HD13 LEU A 61 0.500 -5.528 5.261 1.00 1.14 H new ATOM 0 HD21 LEU A 61 1.854 -2.872 4.490 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.196 -2.990 5.125 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.386 -1.943 5.935 1.00 0.91 H new ATOM 964 N TYR A 62 -1.476 -1.856 8.794 1.00 0.68 N ATOM 965 CA TYR A 62 -2.707 -1.730 9.564 1.00 0.88 C ATOM 966 C TYR A 62 -3.871 -2.459 8.898 1.00 0.75 C ATOM 967 O TYR A 62 -4.628 -3.169 9.562 1.00 0.87 O ATOM 968 CB TYR A 62 -3.056 -0.254 9.751 1.00 1.16 C ATOM 969 CG TYR A 62 -4.319 -0.028 10.547 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.510 -0.653 11.772 1.00 1.55 C ATOM 971 CD2 TYR A 62 -5.319 0.809 10.073 1.00 1.81 C ATOM 972 CE1 TYR A 62 -5.664 -0.450 12.503 1.00 2.07 C ATOM 973 CE2 TYR A 62 -6.476 1.018 10.798 1.00 2.35 C ATOM 974 CZ TYR A 62 -6.644 0.387 12.012 1.00 2.38 C ATOM 975 OH TYR A 62 -7.795 0.592 12.737 1.00 3.08 O ATOM 0 H TYR A 62 -1.422 -1.249 7.976 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.538 -2.194 10.536 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -2.227 0.246 10.251 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.165 0.212 8.772 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -3.744 -1.308 12.159 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -5.191 1.305 9.122 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -5.798 -0.944 13.454 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -7.245 1.673 10.416 1.00 2.35 H new ATOM 0 HH TYR A 62 -8.382 1.209 12.252 1.00 3.08 H new ATOM 985 N TYR A 63 -4.017 -2.278 7.590 1.00 0.64 N ATOM 986 CA TYR A 63 -5.100 -2.919 6.849 1.00 0.62 C ATOM 987 C TYR A 63 -4.685 -4.294 6.339 1.00 0.63 C ATOM 988 O TYR A 63 -3.508 -4.543 6.078 1.00 0.73 O ATOM 989 CB TYR A 63 -5.540 -2.044 5.675 1.00 0.79 C ATOM 990 CG TYR A 63 -5.921 -0.636 6.074 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.865 -0.406 7.066 1.00 1.16 C ATOM 992 CD2 TYR A 63 -5.338 0.464 5.456 1.00 1.28 C ATOM 993 CE1 TYR A 63 -7.218 0.879 7.432 1.00 1.45 C ATOM 994 CE2 TYR A 63 -5.685 1.753 5.817 1.00 1.56 C ATOM 995 CZ TYR A 63 -6.625 1.955 6.805 1.00 1.60 C ATOM 996 OH TYR A 63 -6.974 3.236 7.167 1.00 1.93 O ATOM 0 H TYR A 63 -3.402 -1.695 7.022 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.937 -3.045 7.535 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.732 -1.999 4.945 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.390 -2.515 5.181 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -7.331 -1.246 7.560 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -4.602 0.309 4.681 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -7.955 1.040 8.205 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -5.222 2.597 5.327 1.00 1.56 H new ATOM 0 HH TYR A 63 -7.948 3.334 7.126 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.664 -5.184 6.199 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.403 -6.535 5.718 1.00 0.67 C ATOM 1008 C ASN A 64 -6.398 -6.948 4.641 1.00 0.49 C ATOM 1009 O ASN A 64 -7.248 -6.164 4.218 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.466 -7.541 6.866 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.348 -7.345 7.870 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.028 -6.218 8.249 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.745 -8.445 8.306 1.00 1.03 N ATOM 0 H ASN A 64 -6.643 -4.993 6.412 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.401 -6.532 5.289 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.426 -7.449 7.373 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.415 -8.552 6.462 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.984 -8.376 8.982 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -4.043 -9.359 7.965 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.272 -8.194 4.211 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.130 -8.763 3.189 1.00 0.54 C ATOM 1022 C LEU A 65 -8.615 -8.581 3.506 1.00 0.66 C ATOM 1023 O LEU A 65 -9.454 -8.610 2.607 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.814 -10.250 3.055 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.425 -10.565 2.502 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.457 -10.861 3.636 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.488 -11.735 1.531 1.00 1.04 C ATOM 0 H LEU A 65 -5.567 -8.841 4.565 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.934 -8.238 2.254 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.914 -10.717 4.035 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.560 -10.708 2.406 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.063 -9.691 1.960 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.472 -11.083 3.225 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.389 -9.993 4.292 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.815 -11.719 4.205 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.489 -11.944 1.148 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -5.871 -12.616 2.047 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.149 -11.484 0.702 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.943 -8.418 4.783 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.337 -8.261 5.189 1.00 0.92 C ATOM 1041 C ASP A 66 -10.658 -6.828 5.609 1.00 0.87 C ATOM 1042 O ASP A 66 -11.809 -6.398 5.537 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.660 -9.222 6.336 1.00 1.12 C ATOM 1044 CG ASP A 66 -12.143 -9.278 6.644 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.935 -9.509 5.707 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -12.512 -9.092 7.823 1.00 2.33 O ATOM 0 H ASP A 66 -8.270 -8.391 5.549 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.956 -8.496 4.323 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -10.307 -10.221 6.079 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.118 -8.912 7.229 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.649 -6.097 6.068 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.853 -4.722 6.520 1.00 0.81 C ATOM 1053 C ASP A 67 -9.991 -3.737 5.359 1.00 0.69 C ATOM 1054 O ASP A 67 -9.475 -3.964 4.258 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.707 -4.286 7.432 1.00 0.92 C ATOM 1056 CG ASP A 67 -9.206 -3.739 8.756 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -10.318 -3.170 8.780 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -8.486 -3.879 9.767 1.00 1.54 O ATOM 0 H ASP A 67 -8.687 -6.429 6.138 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.792 -4.709 7.074 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -8.048 -5.135 7.616 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.112 -3.525 6.927 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.691 -2.633 5.635 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.914 -1.579 4.649 1.00 0.78 C ATOM 1065 C ILE A 68 -10.034 -0.381 4.926 1.00 0.99 C ATOM 1066 O ILE A 68 -9.802 -0.015 6.078 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.369 -1.073 4.629 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.350 -2.181 5.017 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.697 -0.508 3.254 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.459 -3.273 3.982 1.00 1.10 C ATOM 0 H ILE A 68 -11.116 -2.448 6.544 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.675 -2.033 3.687 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.471 -0.280 5.370 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -13.036 -2.619 5.965 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.335 -1.744 5.179 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.727 -0.151 3.244 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.024 0.320 3.031 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.576 -1.288 2.502 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.171 -4.026 4.321 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.802 -2.848 3.039 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.483 -3.736 3.837 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.564 0.236 3.861 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.727 1.409 3.976 1.00 1.34 C ATOM 1084 C ALA A 69 -9.472 2.641 3.472 1.00 1.19 C ATOM 1085 O ALA A 69 -10.327 2.540 2.580 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.432 1.196 3.213 1.00 2.16 C ATOM 0 H ALA A 69 -9.750 -0.059 2.902 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.481 1.575 5.025 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.806 2.084 3.304 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.904 0.336 3.625 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.655 1.015 2.161 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.151 3.794 4.055 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.790 5.058 3.685 1.00 1.38 C ATOM 1094 C TYR A 70 -8.809 5.970 2.949 1.00 1.17 C ATOM 1095 O TYR A 70 -7.605 5.937 3.205 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.336 5.783 4.928 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.410 4.926 6.179 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -11.456 4.031 6.372 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -9.432 5.014 7.162 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -11.524 3.248 7.510 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -9.494 4.234 8.302 1.00 4.07 C ATOM 1102 CZ TYR A 70 -10.541 3.354 8.471 1.00 4.67 C ATOM 1103 OH TYR A 70 -10.605 2.577 9.605 1.00 5.65 O ATOM 0 H TYR A 70 -8.449 3.880 4.790 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.621 4.823 3.020 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -9.706 6.649 5.133 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.333 6.161 4.703 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -12.228 3.946 5.621 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -8.610 5.703 7.034 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -12.343 2.557 7.645 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -8.725 4.314 9.057 1.00 4.07 H new ATOM 0 HH TYR A 70 -9.836 2.773 10.179 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.333 6.784 2.035 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.504 7.707 1.262 1.00 2.02 C ATOM 1115 C VAL A 71 -8.237 8.995 2.037 1.00 2.00 C ATOM 1116 O VAL A 71 -9.164 9.622 2.550 1.00 2.35 O ATOM 1117 CB VAL A 71 -9.167 8.081 -0.080 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -8.156 8.735 -1.010 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -9.796 6.863 -0.740 1.00 3.61 C ATOM 0 H VAL A 71 -10.327 6.823 1.811 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.565 7.188 1.072 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.963 8.797 0.125 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -8.641 8.992 -1.952 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.765 9.640 -0.544 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.336 8.042 -1.201 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.255 7.157 -1.684 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.027 6.114 -0.929 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.557 6.444 -0.081 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.969 9.396 2.104 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.619 10.620 2.804 1.00 1.87 C ATOM 1131 C GLY A 72 -5.723 10.394 4.007 1.00 1.57 C ATOM 1132 O GLY A 72 -5.517 11.306 4.809 1.00 1.63 O ATOM 0 H GLY A 72 -6.182 8.898 1.688 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.119 11.296 2.110 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.533 11.117 3.130 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.190 9.185 4.145 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.316 8.870 5.270 1.00 1.09 C ATOM 1138 C LYS A 73 -3.414 7.673 4.960 1.00 0.83 C ATOM 1139 O LYS A 73 -3.896 6.624 4.534 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.157 8.575 6.513 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.868 9.499 7.684 1.00 1.59 C ATOM 1142 CD LYS A 73 -5.424 8.935 8.981 1.00 1.98 C ATOM 1143 CE LYS A 73 -4.606 7.750 9.468 1.00 2.32 C ATOM 1144 NZ LYS A 73 -5.469 6.652 9.985 1.00 2.96 N ATOM 0 H LYS A 73 -5.346 8.412 3.498 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.678 9.735 5.453 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -6.213 8.653 6.253 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.981 7.545 6.823 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -3.792 9.644 7.779 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -5.306 10.479 7.494 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -5.430 9.713 9.744 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -6.459 8.627 8.831 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -3.991 7.374 8.651 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -3.926 8.077 10.254 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -4.872 5.864 10.307 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -6.038 7.003 10.782 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -6.101 6.321 9.228 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.092 7.804 5.180 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.146 6.711 4.931 1.00 0.64 C ATOM 1160 C PRO A 74 -1.489 5.471 5.747 1.00 0.53 C ATOM 1161 O PRO A 74 -2.069 5.571 6.828 1.00 0.75 O ATOM 1162 CB PRO A 74 0.203 7.286 5.375 1.00 0.77 C ATOM 1163 CG PRO A 74 0.020 8.763 5.338 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.418 9.006 5.696 1.00 0.91 C ATOM 0 HA PRO A 74 -1.157 6.390 3.889 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.467 6.946 6.376 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.006 6.970 4.709 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.688 9.258 6.044 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.250 9.161 4.350 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.554 9.115 6.772 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.802 9.915 5.233 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.135 4.303 5.226 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.420 3.053 5.917 1.00 0.49 C ATOM 1174 C LEU A 75 -0.149 2.250 6.174 1.00 0.46 C ATOM 1175 O LEU A 75 -0.055 1.536 7.173 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.416 2.214 5.113 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.846 1.554 3.856 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.535 0.089 4.119 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.819 1.694 2.694 1.00 1.32 C ATOM 0 H LEU A 75 -0.653 4.196 4.333 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.859 3.304 6.882 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.818 1.436 5.762 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.252 2.851 4.823 1.00 0.64 H new ATOM 0 HG LEU A 75 -0.918 2.060 3.590 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.130 -0.365 3.214 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -0.803 0.011 4.923 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.448 -0.431 4.409 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.398 1.219 1.808 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.763 1.213 2.950 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -2.994 2.751 2.491 1.00 1.32 H new ATOM 1191 N VAL A 76 0.825 2.351 5.272 1.00 0.32 N ATOM 1192 CA VAL A 76 2.070 1.605 5.436 1.00 0.29 C ATOM 1193 C VAL A 76 3.299 2.419 5.040 1.00 0.27 C ATOM 1194 O VAL A 76 3.287 3.143 4.044 1.00 0.35 O ATOM 1195 CB VAL A 76 2.047 0.307 4.606 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.842 0.617 3.133 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.329 -0.487 4.814 1.00 0.47 C ATOM 0 H VAL A 76 0.779 2.931 4.434 1.00 0.32 H new ATOM 0 HA VAL A 76 2.142 1.370 6.498 1.00 0.29 H new ATOM 0 HB VAL A 76 1.210 -0.302 4.947 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.829 -0.313 2.564 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.894 1.138 2.999 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.656 1.249 2.777 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.292 -1.400 4.219 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.184 0.114 4.504 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.430 -0.745 5.868 1.00 0.47 H new ATOM 1207 N ASP A 77 4.371 2.268 5.819 1.00 0.30 N ATOM 1208 CA ASP A 77 5.626 2.957 5.548 1.00 0.41 C ATOM 1209 C ASP A 77 6.631 1.968 4.975 1.00 0.38 C ATOM 1210 O ASP A 77 6.939 0.954 5.602 1.00 0.41 O ATOM 1211 CB ASP A 77 6.205 3.578 6.822 1.00 0.58 C ATOM 1212 CG ASP A 77 5.148 3.968 7.838 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.158 4.620 7.448 1.00 1.10 O ATOM 1214 OD2 ASP A 77 5.316 3.625 9.028 1.00 0.87 O ATOM 0 H ASP A 77 4.391 1.671 6.646 1.00 0.30 H new ATOM 0 HA ASP A 77 5.429 3.756 4.833 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.895 2.870 7.281 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.785 4.461 6.555 1.00 0.58 H new ATOM 1219 N ILE A 78 7.133 2.251 3.783 1.00 0.44 N ATOM 1220 CA ILE A 78 8.093 1.361 3.141 1.00 0.42 C ATOM 1221 C ILE A 78 9.254 2.144 2.556 1.00 0.41 C ATOM 1222 O ILE A 78 9.077 3.266 2.103 1.00 0.51 O ATOM 1223 CB ILE A 78 7.443 0.529 2.012 1.00 0.42 C ATOM 1224 CG1 ILE A 78 5.951 0.326 2.279 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.148 -0.811 1.865 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.086 1.425 1.706 1.00 0.86 C ATOM 0 H ILE A 78 6.895 3.083 3.243 1.00 0.44 H new ATOM 0 HA ILE A 78 8.454 0.686 3.917 1.00 0.42 H new ATOM 0 HB ILE A 78 7.549 1.079 1.077 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.640 -0.629 1.856 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.786 0.267 3.355 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.678 -1.384 1.066 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.198 -0.645 1.623 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.074 -1.365 2.801 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.040 1.219 1.931 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.371 2.380 2.147 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.223 1.470 0.626 1.00 0.86 H new ATOM 1238 N GLU A 79 10.437 1.548 2.548 1.00 0.29 N ATOM 1239 CA GLU A 79 11.606 2.216 1.996 1.00 0.29 C ATOM 1240 C GLU A 79 11.838 1.746 0.570 1.00 0.47 C ATOM 1241 O GLU A 79 12.118 0.574 0.339 1.00 0.79 O ATOM 1242 CB GLU A 79 12.840 1.924 2.853 1.00 0.62 C ATOM 1243 CG GLU A 79 13.456 3.165 3.477 1.00 0.92 C ATOM 1244 CD GLU A 79 14.808 3.505 2.880 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.770 2.744 3.118 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.906 4.531 2.175 1.00 1.09 O ATOM 0 H GLU A 79 10.612 0.612 2.914 1.00 0.29 H new ATOM 0 HA GLU A 79 11.431 3.292 1.995 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.565 1.228 3.645 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.590 1.427 2.238 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.780 4.009 3.342 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.565 3.012 4.551 1.00 0.92 H new ATOM 1253 N THR A 80 11.702 2.669 -0.378 1.00 0.64 N ATOM 1254 CA THR A 80 11.874 2.359 -1.794 1.00 1.05 C ATOM 1255 C THR A 80 12.610 3.485 -2.516 1.00 1.00 C ATOM 1256 O THR A 80 12.594 4.633 -2.072 1.00 1.22 O ATOM 1257 CB THR A 80 10.506 2.134 -2.475 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.462 2.196 -1.498 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.451 0.788 -3.180 1.00 1.18 C ATOM 0 H THR A 80 11.472 3.644 -0.189 1.00 0.64 H new ATOM 0 HA THR A 80 12.466 1.446 -1.858 1.00 1.05 H new ATOM 0 HB THR A 80 10.371 2.919 -3.219 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.596 2.054 -1.935 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.475 0.662 -3.648 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.228 0.745 -3.943 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.611 -0.010 -2.454 1.00 1.18 H new ATOM 1267 N GLU A 81 13.253 3.156 -3.633 1.00 1.27 N ATOM 1268 CA GLU A 81 13.987 4.152 -4.407 1.00 1.30 C ATOM 1269 C GLU A 81 13.062 5.290 -4.837 1.00 1.99 C ATOM 1270 O GLU A 81 11.852 5.102 -4.965 1.00 2.56 O ATOM 1271 CB GLU A 81 14.626 3.502 -5.637 1.00 1.53 C ATOM 1272 CG GLU A 81 15.957 4.121 -6.032 1.00 1.62 C ATOM 1273 CD GLU A 81 16.827 3.173 -6.835 1.00 2.40 C ATOM 1274 OE1 GLU A 81 17.182 2.100 -6.304 1.00 3.13 O ATOM 1275 OE2 GLU A 81 17.155 3.505 -7.993 1.00 2.85 O ATOM 0 H GLU A 81 13.281 2.213 -4.021 1.00 1.27 H new ATOM 0 HA GLU A 81 14.774 4.565 -3.776 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.773 2.440 -5.441 1.00 1.53 H new ATOM 0 HB3 GLU A 81 13.936 3.578 -6.477 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.775 5.023 -6.616 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.493 4.426 -5.133 1.00 1.62 H new ATOM 1282 N ALA A 82 13.638 6.471 -5.050 1.00 2.01 N ATOM 1283 CA ALA A 82 12.866 7.646 -5.456 1.00 2.67 C ATOM 1284 C ALA A 82 11.867 7.310 -6.560 1.00 3.02 C ATOM 1285 O ALA A 82 12.252 7.022 -7.693 1.00 3.10 O ATOM 1286 CB ALA A 82 13.800 8.759 -5.911 1.00 2.85 C ATOM 0 H ALA A 82 14.639 6.641 -4.948 1.00 2.01 H new ATOM 0 HA ALA A 82 12.300 7.986 -4.589 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.213 9.627 -6.210 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.464 9.035 -5.092 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.393 8.413 -6.757 1.00 2.85 H new ATOM 1292 N LEU A 83 10.581 7.355 -6.221 1.00 3.31 N ATOM 1293 CA LEU A 83 9.525 7.060 -7.182 1.00 3.73 C ATOM 1294 C LEU A 83 8.546 8.227 -7.290 1.00 4.31 C ATOM 1295 O LEU A 83 8.265 8.908 -6.304 1.00 4.31 O ATOM 1296 CB LEU A 83 8.779 5.785 -6.781 1.00 3.56 C ATOM 1297 CG LEU A 83 8.922 4.618 -7.759 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.913 3.593 -7.226 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.568 3.971 -8.015 1.00 3.60 C ATOM 0 H LEU A 83 10.246 7.593 -5.287 1.00 3.31 H new ATOM 0 HA LEU A 83 9.988 6.907 -8.157 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.137 5.465 -5.802 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.720 6.020 -6.672 1.00 3.56 H new ATOM 0 HG LEU A 83 9.304 5.004 -8.704 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.002 2.770 -7.935 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.887 4.064 -7.093 1.00 3.49 H new ATOM 0 HD13 LEU A 83 9.561 3.210 -6.268 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.687 3.142 -8.713 1.00 3.60 H new ATOM 0 HD22 LEU A 83 7.159 3.599 -7.076 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.887 4.708 -8.440 1.00 3.60 H new ATOM 1311 N LYS A 84 8.030 8.449 -8.495 1.00 4.85 N ATOM 1312 CA LYS A 84 7.081 9.530 -8.737 1.00 5.44 C ATOM 1313 C LYS A 84 5.849 9.394 -7.846 1.00 5.34 C ATOM 1314 O LYS A 84 5.147 10.372 -7.588 1.00 5.61 O ATOM 1315 CB LYS A 84 6.658 9.540 -10.207 1.00 6.29 C ATOM 1316 CG LYS A 84 7.457 10.508 -11.064 1.00 6.80 C ATOM 1317 CD LYS A 84 6.921 10.565 -12.487 1.00 7.13 C ATOM 1318 CE LYS A 84 6.853 11.994 -13.001 1.00 7.72 C ATOM 1319 NZ LYS A 84 8.020 12.329 -13.863 1.00 8.33 N ATOM 0 H LYS A 84 8.254 7.893 -9.321 1.00 4.85 H new ATOM 0 HA LYS A 84 7.576 10.471 -8.496 1.00 5.44 H new ATOM 0 HB2 LYS A 84 6.765 8.534 -10.614 1.00 6.29 H new ATOM 0 HB3 LYS A 84 5.601 9.799 -10.270 1.00 6.29 H new ATOM 0 HG2 LYS A 84 7.422 11.503 -10.620 1.00 6.80 H new ATOM 0 HG3 LYS A 84 8.503 10.203 -11.080 1.00 6.80 H new ATOM 0 HD2 LYS A 84 7.560 9.972 -13.141 1.00 7.13 H new ATOM 0 HD3 LYS A 84 5.928 10.118 -12.521 1.00 7.13 H new ATOM 0 HE2 LYS A 84 5.932 12.133 -13.567 1.00 7.72 H new ATOM 0 HE3 LYS A 84 6.816 12.682 -12.157 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 7.937 13.312 -14.194 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 8.898 12.221 -13.316 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 8.042 11.689 -14.682 1.00 8.33 H new ATOM 1333 N ASP A 85 5.585 8.174 -7.385 1.00 5.08 N ATOM 1334 CA ASP A 85 4.430 7.900 -6.530 1.00 5.19 C ATOM 1335 C ASP A 85 4.236 8.986 -5.472 1.00 4.88 C ATOM 1336 O ASP A 85 3.132 9.502 -5.297 1.00 5.42 O ATOM 1337 CB ASP A 85 4.589 6.540 -5.850 1.00 4.91 C ATOM 1338 CG ASP A 85 3.326 6.104 -5.133 1.00 5.75 C ATOM 1339 OD1 ASP A 85 2.236 6.588 -5.504 1.00 6.12 O ATOM 1340 OD2 ASP A 85 3.428 5.279 -4.201 1.00 6.23 O ATOM 0 H ASP A 85 6.158 7.355 -7.590 1.00 5.08 H new ATOM 0 HA ASP A 85 3.546 7.891 -7.167 1.00 5.19 H new ATOM 0 HB2 ASP A 85 4.857 5.792 -6.596 1.00 4.91 H new ATOM 0 HB3 ASP A 85 5.412 6.587 -5.136 1.00 4.91 H new ATOM 1345 N LEU A 86 5.311 9.326 -4.770 1.00 4.16 N ATOM 1346 CA LEU A 86 5.252 10.347 -3.730 1.00 3.99 C ATOM 1347 C LEU A 86 6.009 11.601 -4.154 1.00 4.35 C ATOM 1348 O LEU A 86 5.728 12.699 -3.674 1.00 4.39 O ATOM 1349 CB LEU A 86 5.829 9.804 -2.421 1.00 3.28 C ATOM 1350 CG LEU A 86 5.066 10.209 -1.159 1.00 2.93 C ATOM 1351 CD1 LEU A 86 3.805 9.373 -1.006 1.00 3.28 C ATOM 1352 CD2 LEU A 86 5.954 10.066 0.069 1.00 2.54 C ATOM 0 H LEU A 86 6.233 8.910 -4.902 1.00 4.16 H new ATOM 0 HA LEU A 86 4.206 10.613 -3.575 1.00 3.99 H new ATOM 0 HB2 LEU A 86 5.856 8.716 -2.477 1.00 3.28 H new ATOM 0 HB3 LEU A 86 6.861 10.144 -2.328 1.00 3.28 H new ATOM 0 HG LEU A 86 4.775 11.255 -1.254 1.00 2.93 H new ATOM 0 HD11 LEU A 86 3.275 9.675 -0.103 1.00 3.28 H new ATOM 0 HD12 LEU A 86 3.161 9.524 -1.872 1.00 3.28 H new ATOM 0 HD13 LEU A 86 4.074 8.319 -0.933 1.00 3.28 H new ATOM 0 HD21 LEU A 86 5.395 10.358 0.958 1.00 2.54 H new ATOM 0 HD22 LEU A 86 6.275 9.029 0.167 1.00 2.54 H new ATOM 0 HD23 LEU A 86 6.828 10.708 -0.037 1.00 2.54 H new ATOM 1364 N GLU A 87 6.969 11.432 -5.057 1.00 4.90 N ATOM 1365 CA GLU A 87 7.766 12.553 -5.541 1.00 5.65 C ATOM 1366 C GLU A 87 8.622 12.138 -6.734 1.00 5.80 C ATOM 1367 O GLU A 87 8.614 12.866 -7.749 1.00 5.45 O ATOM 1368 CB GLU A 87 8.658 13.087 -4.420 1.00 6.27 C ATOM 1369 CG GLU A 87 9.256 11.995 -3.550 1.00 6.31 C ATOM 1370 CD GLU A 87 10.707 12.259 -3.200 1.00 7.17 C ATOM 1371 OE1 GLU A 87 11.363 13.030 -3.932 1.00 7.79 O ATOM 1372 OE2 GLU A 87 11.188 11.694 -2.195 1.00 7.41 O ATOM 0 H GLU A 87 7.214 10.531 -5.468 1.00 4.90 H new ATOM 0 HA GLU A 87 7.085 13.341 -5.864 1.00 5.65 H new ATOM 0 HB2 GLU A 87 9.465 13.675 -4.857 1.00 6.27 H new ATOM 0 HB3 GLU A 87 8.075 13.762 -3.793 1.00 6.27 H new ATOM 0 HG2 GLU A 87 8.675 11.907 -2.632 1.00 6.31 H new ATOM 0 HG3 GLU A 87 9.179 11.039 -4.068 1.00 6.31 H new TER 1379 GLU A 87