USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 83 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc=-0.00345 USER MOD Set 2.1: A 64 SER OG : rot 79:sc= 0.962 USER MOD Set 2.2: A 67 SER OG : rot -110:sc= 0.882 USER MOD Set 3.1: A 13 GLN : amide:sc= 0.248 K(o=0.63,f=1.5) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.38 K(o=0.63,f=1.5) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0241) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.21 (180deg=1.18) USER MOD Single : A 3 GLN : amide:sc= 0.46 K(o=0.46,f=-7.1!) USER MOD Single : A 4 TYR OH : rot -39:sc= 1.35 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.77! C(o=-2.8!,f=-6.8!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.805 (180deg=0.765) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 1.04 (180deg=1.03) USER MOD Single : A 51 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.21) USER MOD Single : A 54 GLN : amide:sc= 0.381 X(o=0.38,f=0) USER MOD Single : A 55 SER OG : rot -130:sc= 0.747 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.806 K(o=0.81,f=-0.0026) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -66:sc= 0.793 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.585 -0.390 -1.577 1.00 0.00 N ATOM 2 CA MET A 1 0.894 -0.312 -1.566 1.00 0.00 C ATOM 3 C MET A 1 1.491 -1.674 -1.902 1.00 0.00 C ATOM 4 O MET A 1 1.061 -2.706 -1.379 1.00 0.00 O ATOM 5 CB MET A 1 1.460 0.193 -0.224 1.00 0.00 C ATOM 6 CG MET A 1 1.386 1.721 -0.083 1.00 0.00 C ATOM 7 SD MET A 1 2.304 2.674 -1.334 1.00 0.00 S ATOM 8 CE MET A 1 4.022 2.312 -0.862 1.00 0.00 C ATOM 0 H1 MET A 1 -0.981 0.474 -1.154 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.921 -0.481 -2.557 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.893 -1.217 -1.027 1.00 0.00 H new ATOM 0 HA MET A 1 1.177 0.418 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.909 -0.270 0.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.498 -0.126 -0.130 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.339 2.021 -0.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.761 1.995 0.903 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.700 2.910 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.169 2.554 0.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.228 1.254 -1.023 1.00 0.00 H new ATOM 20 N LEU A 2 2.501 -1.682 -2.769 1.00 0.00 N ATOM 21 CA LEU A 2 3.205 -2.859 -3.264 1.00 0.00 C ATOM 22 C LEU A 2 4.670 -2.459 -3.469 1.00 0.00 C ATOM 23 O LEU A 2 5.019 -1.277 -3.375 1.00 0.00 O ATOM 24 CB LEU A 2 2.486 -3.308 -4.556 1.00 0.00 C ATOM 25 CG LEU A 2 3.123 -4.411 -5.422 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.232 -5.738 -4.664 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.286 -4.617 -6.691 1.00 0.00 C ATOM 0 H LEU A 2 2.870 -0.818 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 2 3.196 -3.706 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.488 -3.645 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.361 -2.427 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 2 4.131 -4.088 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.686 -6.490 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.850 -5.600 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.237 -6.069 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.738 -5.398 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.274 -4.913 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.250 -3.687 -7.258 1.00 0.00 H new ATOM 39 N GLN A 3 5.539 -3.434 -3.720 1.00 0.00 N ATOM 40 CA GLN A 3 6.957 -3.238 -3.939 1.00 0.00 C ATOM 41 C GLN A 3 7.423 -4.285 -4.951 1.00 0.00 C ATOM 42 O GLN A 3 6.895 -5.401 -4.981 1.00 0.00 O ATOM 43 CB GLN A 3 7.642 -3.391 -2.573 1.00 0.00 C ATOM 44 CG GLN A 3 9.173 -3.304 -2.559 1.00 0.00 C ATOM 45 CD GLN A 3 9.686 -3.690 -1.175 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.306 -4.722 -0.630 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.519 -2.878 -0.554 1.00 0.00 N ATOM 0 H GLN A 3 5.259 -4.413 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 3 7.201 -2.256 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.251 -2.621 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.352 -4.354 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.594 -3.968 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.494 -2.293 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.832 -2.021 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.850 -3.106 0.383 1.00 0.00 H new ATOM 56 N TYR A 4 8.424 -3.947 -5.760 1.00 0.00 N ATOM 57 CA TYR A 4 9.087 -4.899 -6.636 1.00 0.00 C ATOM 58 C TYR A 4 10.586 -4.636 -6.699 1.00 0.00 C ATOM 59 O TYR A 4 11.069 -3.568 -6.309 1.00 0.00 O ATOM 60 CB TYR A 4 8.421 -4.947 -8.025 1.00 0.00 C ATOM 61 CG TYR A 4 8.396 -3.711 -8.915 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.572 -3.006 -9.256 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.192 -3.395 -9.574 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.560 -2.044 -10.281 1.00 0.00 C ATOM 65 CE2 TYR A 4 7.176 -2.444 -10.605 1.00 0.00 C ATOM 66 CZ TYR A 4 8.367 -1.798 -10.995 1.00 0.00 C ATOM 67 OH TYR A 4 8.369 -1.009 -12.103 1.00 0.00 O ATOM 0 H TYR A 4 8.797 -3.000 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 4 8.967 -5.895 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.912 -5.740 -8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.387 -5.256 -7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.490 -3.208 -8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.276 -3.888 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.459 -1.496 -10.521 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.247 -2.206 -11.102 1.00 0.00 H new ATOM 0 HH TYR A 4 8.973 -0.250 -11.963 1.00 0.00 H new ATOM 77 N ARG A 5 11.303 -5.598 -7.274 1.00 0.00 N ATOM 78 CA ARG A 5 12.673 -5.463 -7.740 1.00 0.00 C ATOM 79 C ARG A 5 12.656 -5.981 -9.174 1.00 0.00 C ATOM 80 O ARG A 5 12.022 -7.002 -9.437 1.00 0.00 O ATOM 81 CB ARG A 5 13.605 -6.285 -6.836 1.00 0.00 C ATOM 82 CG ARG A 5 15.091 -6.158 -7.219 1.00 0.00 C ATOM 83 CD ARG A 5 15.958 -7.214 -6.517 1.00 0.00 C ATOM 84 NE ARG A 5 15.570 -8.587 -6.904 1.00 0.00 N ATOM 85 CZ ARG A 5 16.274 -9.706 -6.703 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.482 -9.667 -6.146 1.00 0.00 N ATOM 87 NH2 ARG A 5 15.739 -10.864 -7.070 1.00 0.00 N ATOM 0 H ARG A 5 10.925 -6.532 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 5 13.041 -4.438 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.474 -5.963 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.313 -7.334 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.197 -6.261 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.449 -5.162 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.006 -7.048 -6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.866 -7.101 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 5 14.671 -8.692 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.885 -8.773 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.005 -10.531 -6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.812 -10.886 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.255 -11.732 -6.928 1.00 0.00 H new ATOM 101 N ILE A 6 13.324 -5.299 -10.095 1.00 0.00 N ATOM 102 CA ILE A 6 13.400 -5.680 -11.498 1.00 0.00 C ATOM 103 C ILE A 6 14.875 -5.625 -11.876 1.00 0.00 C ATOM 104 O ILE A 6 15.594 -4.723 -11.445 1.00 0.00 O ATOM 105 CB ILE A 6 12.479 -4.773 -12.359 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.007 -5.013 -11.956 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.661 -5.015 -13.869 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.954 -4.262 -12.778 1.00 0.00 C ATOM 0 H ILE A 6 13.840 -4.445 -9.882 1.00 0.00 H new ATOM 0 HA ILE A 6 13.031 -6.689 -11.683 1.00 0.00 H new ATOM 0 HB ILE A 6 12.758 -3.737 -12.168 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.801 -6.081 -12.028 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.888 -4.735 -10.909 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.995 -4.356 -14.426 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.694 -4.807 -14.149 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.424 -6.053 -14.102 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.959 -4.507 -12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.120 -3.188 -12.689 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.032 -4.556 -13.825 1.00 0.00 H new ATOM 120 N ILE A 7 15.322 -6.581 -12.684 1.00 0.00 N ATOM 121 CA ILE A 7 16.674 -6.649 -13.218 1.00 0.00 C ATOM 122 C ILE A 7 16.508 -6.559 -14.733 1.00 0.00 C ATOM 123 O ILE A 7 15.572 -7.148 -15.280 1.00 0.00 O ATOM 124 CB ILE A 7 17.381 -7.958 -12.783 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.256 -8.303 -11.278 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.860 -7.942 -13.203 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.875 -7.285 -10.314 1.00 0.00 C ATOM 0 H ILE A 7 14.733 -7.354 -12.994 1.00 0.00 H new ATOM 0 HA ILE A 7 17.307 -5.845 -12.843 1.00 0.00 H new ATOM 0 HB ILE A 7 16.848 -8.751 -13.307 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.199 -8.412 -11.035 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.724 -9.272 -11.105 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.338 -8.870 -12.888 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.929 -7.848 -14.287 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.363 -7.097 -12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.732 -7.622 -9.287 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.941 -7.191 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.393 -6.317 -10.448 1.00 0.00 H new ATOM 139 N VAL A 8 17.394 -5.835 -15.414 1.00 0.00 N ATOM 140 CA VAL A 8 17.286 -5.563 -16.842 1.00 0.00 C ATOM 141 C VAL A 8 18.660 -5.803 -17.466 1.00 0.00 C ATOM 142 O VAL A 8 19.689 -5.471 -16.867 1.00 0.00 O ATOM 143 CB VAL A 8 16.766 -4.125 -17.085 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.323 -3.943 -18.543 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.563 -3.749 -16.204 1.00 0.00 C ATOM 0 H VAL A 8 18.217 -5.416 -14.982 1.00 0.00 H new ATOM 0 HA VAL A 8 16.562 -6.228 -17.313 1.00 0.00 H new ATOM 0 HB VAL A 8 17.607 -3.478 -16.833 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.962 -2.925 -18.689 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.169 -4.127 -19.206 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.524 -4.648 -18.771 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.253 -2.728 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.737 -4.432 -16.405 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.845 -3.820 -15.154 1.00 0.00 H new ATOM 155 N ASP A 9 18.665 -6.380 -18.665 1.00 0.00 N ATOM 156 CA ASP A 9 19.841 -6.801 -19.414 1.00 0.00 C ATOM 157 C ASP A 9 19.666 -6.385 -20.872 1.00 0.00 C ATOM 158 O ASP A 9 18.538 -6.291 -21.366 1.00 0.00 O ATOM 159 CB ASP A 9 19.971 -8.326 -19.329 1.00 0.00 C ATOM 160 CG ASP A 9 21.180 -8.874 -20.097 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.229 -8.195 -20.136 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.161 -10.061 -20.492 1.00 0.00 O ATOM 0 H ASP A 9 17.799 -6.576 -19.166 1.00 0.00 H new ATOM 0 HA ASP A 9 20.737 -6.337 -19.001 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.050 -8.619 -18.282 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.062 -8.784 -19.720 1.00 0.00 H new ATOM 167 N GLY A 10 20.777 -6.125 -21.554 1.00 0.00 N ATOM 168 CA GLY A 10 20.817 -5.665 -22.930 1.00 0.00 C ATOM 169 C GLY A 10 21.769 -4.487 -23.061 1.00 0.00 C ATOM 170 O GLY A 10 22.632 -4.264 -22.206 1.00 0.00 O ATOM 0 H GLY A 10 21.705 -6.234 -21.145 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.138 -6.476 -23.583 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.818 -5.372 -23.253 1.00 0.00 H new ATOM 174 N ARG A 11 21.603 -3.707 -24.128 1.00 0.00 N ATOM 175 CA ARG A 11 22.270 -2.419 -24.278 1.00 0.00 C ATOM 176 C ARG A 11 21.493 -1.421 -23.420 1.00 0.00 C ATOM 177 O ARG A 11 20.643 -0.689 -23.928 1.00 0.00 O ATOM 178 CB ARG A 11 22.355 -2.060 -25.771 1.00 0.00 C ATOM 179 CG ARG A 11 23.257 -0.842 -26.036 1.00 0.00 C ATOM 180 CD ARG A 11 23.495 -0.626 -27.542 1.00 0.00 C ATOM 181 NE ARG A 11 22.238 -0.469 -28.301 1.00 0.00 N ATOM 182 CZ ARG A 11 21.431 0.598 -28.266 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.795 1.705 -27.631 1.00 0.00 N ATOM 184 NH2 ARG A 11 20.241 0.569 -28.855 1.00 0.00 N ATOM 0 H ARG A 11 21.000 -3.953 -24.913 1.00 0.00 H new ATOM 0 HA ARG A 11 23.303 -2.423 -23.930 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.736 -2.917 -26.326 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.353 -1.855 -26.149 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.799 0.050 -25.608 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.214 -0.981 -25.533 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.114 0.260 -27.684 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.053 -1.472 -27.942 1.00 0.00 H new ATOM 0 HE ARG A 11 21.960 -1.242 -28.905 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.700 1.750 -27.162 1.00 0.00 H new ATOM 0 HH12 ARG A 11 21.170 2.511 -27.612 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.933 -0.273 -29.341 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.635 1.389 -28.821 1.00 0.00 H new ATOM 198 N VAL A 12 21.743 -1.449 -22.110 1.00 0.00 N ATOM 199 CA VAL A 12 21.033 -0.657 -21.101 1.00 0.00 C ATOM 200 C VAL A 12 22.016 0.083 -20.176 1.00 0.00 C ATOM 201 O VAL A 12 21.607 0.735 -19.215 1.00 0.00 O ATOM 202 CB VAL A 12 20.017 -1.545 -20.341 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.936 -2.101 -21.281 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.662 -2.721 -19.589 1.00 0.00 C ATOM 0 H VAL A 12 22.469 -2.042 -21.708 1.00 0.00 H new ATOM 0 HA VAL A 12 20.457 0.123 -21.599 1.00 0.00 H new ATOM 0 HB VAL A 12 19.569 -0.879 -19.603 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.242 -2.719 -20.712 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.394 -1.275 -21.741 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.405 -2.704 -22.058 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.888 -3.297 -19.081 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.186 -3.363 -20.298 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.370 -2.338 -18.854 1.00 0.00 H new ATOM 214 N GLN A 13 23.318 0.030 -20.471 1.00 0.00 N ATOM 215 CA GLN A 13 24.348 0.843 -19.834 1.00 0.00 C ATOM 216 C GLN A 13 25.209 1.450 -20.946 1.00 0.00 C ATOM 217 O GLN A 13 25.120 1.030 -22.104 1.00 0.00 O ATOM 218 CB GLN A 13 25.165 0.027 -18.813 1.00 0.00 C ATOM 219 CG GLN A 13 24.281 -0.595 -17.717 1.00 0.00 C ATOM 220 CD GLN A 13 25.046 -0.892 -16.429 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.382 0.006 -15.661 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.323 -2.148 -16.131 1.00 0.00 N ATOM 0 H GLN A 13 23.691 -0.600 -21.181 1.00 0.00 H new ATOM 0 HA GLN A 13 23.898 1.647 -19.251 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.705 -0.764 -19.333 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.912 0.672 -18.351 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.457 0.083 -17.495 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.842 -1.519 -18.093 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.045 -2.896 -16.766 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.815 -2.370 -15.265 1.00 0.00 H new ATOM 231 N GLY A 14 25.974 2.494 -20.626 1.00 0.00 N ATOM 232 CA GLY A 14 26.553 3.401 -21.614 1.00 0.00 C ATOM 233 C GLY A 14 25.483 4.389 -22.084 1.00 0.00 C ATOM 234 O GLY A 14 25.649 5.599 -21.924 1.00 0.00 O ATOM 0 H GLY A 14 26.211 2.735 -19.664 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.396 3.939 -21.180 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.939 2.835 -22.462 1.00 0.00 H new ATOM 238 N VAL A 15 24.344 3.878 -22.564 1.00 0.00 N ATOM 239 CA VAL A 15 23.097 4.637 -22.642 1.00 0.00 C ATOM 240 C VAL A 15 22.652 5.001 -21.221 1.00 0.00 C ATOM 241 O VAL A 15 22.865 4.228 -20.280 1.00 0.00 O ATOM 242 CB VAL A 15 22.014 3.845 -23.407 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.352 3.774 -24.902 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.798 2.416 -22.880 1.00 0.00 C ATOM 0 H VAL A 15 24.264 2.922 -22.910 1.00 0.00 H new ATOM 0 HA VAL A 15 23.257 5.557 -23.204 1.00 0.00 H new ATOM 0 HB VAL A 15 21.086 4.394 -23.245 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.577 3.212 -25.424 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.406 4.783 -25.311 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.313 3.276 -25.035 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.023 1.925 -23.468 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.728 1.853 -22.963 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.490 2.456 -21.835 1.00 0.00 H new ATOM 254 N GLY A 16 22.008 6.158 -21.054 1.00 0.00 N ATOM 255 CA GLY A 16 21.688 6.748 -19.757 1.00 0.00 C ATOM 256 C GLY A 16 20.418 6.183 -19.123 1.00 0.00 C ATOM 257 O GLY A 16 19.658 6.937 -18.517 1.00 0.00 O ATOM 0 H GLY A 16 21.687 6.724 -21.840 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.525 6.587 -19.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.576 7.826 -19.875 1.00 0.00 H new ATOM 261 N PHE A 17 20.159 4.879 -19.263 1.00 0.00 N ATOM 262 CA PHE A 17 18.908 4.260 -18.824 1.00 0.00 C ATOM 263 C PHE A 17 18.611 4.502 -17.341 1.00 0.00 C ATOM 264 O PHE A 17 17.454 4.698 -16.983 1.00 0.00 O ATOM 265 CB PHE A 17 18.928 2.762 -19.158 1.00 0.00 C ATOM 266 CG PHE A 17 17.674 1.988 -18.792 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.403 2.471 -19.155 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.775 0.771 -18.088 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.245 1.754 -18.813 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.619 0.041 -17.764 1.00 0.00 C ATOM 271 CZ PHE A 17 15.353 0.528 -18.132 1.00 0.00 C ATOM 0 H PHE A 17 20.815 4.222 -19.686 1.00 0.00 H new ATOM 0 HA PHE A 17 18.093 4.737 -19.369 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.103 2.650 -20.228 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.776 2.306 -18.647 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.318 3.399 -19.700 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.746 0.398 -17.796 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.272 2.144 -19.073 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.703 -0.895 -17.232 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.465 -0.038 -17.892 1.00 0.00 H new ATOM 281 N ARG A 18 19.623 4.571 -16.468 1.00 0.00 N ATOM 282 CA ARG A 18 19.407 4.887 -15.049 1.00 0.00 C ATOM 283 C ARG A 18 18.710 6.239 -14.881 1.00 0.00 C ATOM 284 O ARG A 18 17.821 6.357 -14.039 1.00 0.00 O ATOM 285 CB ARG A 18 20.742 4.837 -14.283 1.00 0.00 C ATOM 286 CG ARG A 18 21.228 3.385 -14.078 1.00 0.00 C ATOM 287 CD ARG A 18 22.751 3.187 -14.164 1.00 0.00 C ATOM 288 NE ARG A 18 23.358 3.711 -15.406 1.00 0.00 N ATOM 289 CZ ARG A 18 23.101 3.362 -16.675 1.00 0.00 C ATOM 290 NH1 ARG A 18 22.215 2.406 -16.961 1.00 0.00 N ATOM 291 NH2 ARG A 18 23.716 4.014 -17.653 1.00 0.00 N ATOM 0 H ARG A 18 20.599 4.413 -16.718 1.00 0.00 H new ATOM 0 HA ARG A 18 18.745 4.133 -14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.498 5.400 -14.831 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.624 5.322 -13.314 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.887 3.039 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.752 2.750 -14.826 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.219 3.675 -13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.973 2.123 -14.084 1.00 0.00 H new ATOM 0 HE ARG A 18 24.066 4.434 -15.281 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.720 1.927 -16.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.032 2.154 -17.932 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.370 4.765 -17.433 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.535 3.764 -18.625 1.00 0.00 H new ATOM 305 N TYR A 19 19.052 7.242 -15.695 1.00 0.00 N ATOM 306 CA TYR A 19 18.384 8.538 -15.663 1.00 0.00 C ATOM 307 C TYR A 19 16.969 8.426 -16.234 1.00 0.00 C ATOM 308 O TYR A 19 16.053 9.025 -15.674 1.00 0.00 O ATOM 309 CB TYR A 19 19.200 9.590 -16.426 1.00 0.00 C ATOM 310 CG TYR A 19 20.602 9.794 -15.880 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.799 10.574 -14.723 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.706 9.190 -16.512 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.091 10.745 -14.196 1.00 0.00 C ATOM 314 CE2 TYR A 19 23.002 9.354 -15.990 1.00 0.00 C ATOM 315 CZ TYR A 19 23.200 10.132 -14.825 1.00 0.00 C ATOM 316 OH TYR A 19 24.447 10.303 -14.302 1.00 0.00 O ATOM 0 H TYR A 19 19.796 7.175 -16.390 1.00 0.00 H new ATOM 0 HA TYR A 19 18.308 8.860 -14.624 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.268 9.294 -17.473 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.667 10.540 -16.397 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.954 11.042 -14.239 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.557 8.597 -17.403 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.237 11.345 -13.310 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.845 8.887 -16.478 1.00 0.00 H new ATOM 0 HH TYR A 19 25.100 9.818 -14.848 1.00 0.00 H new ATOM 326 N PHE A 20 16.759 7.632 -17.294 1.00 0.00 N ATOM 327 CA PHE A 20 15.424 7.397 -17.840 1.00 0.00 C ATOM 328 C PHE A 20 14.513 6.828 -16.748 1.00 0.00 C ATOM 329 O PHE A 20 13.453 7.388 -16.468 1.00 0.00 O ATOM 330 CB PHE A 20 15.484 6.459 -19.058 1.00 0.00 C ATOM 331 CG PHE A 20 14.158 6.309 -19.780 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.725 7.302 -20.681 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.352 5.177 -19.551 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.495 7.161 -21.347 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.130 5.030 -20.228 1.00 0.00 C ATOM 336 CZ PHE A 20 11.698 6.024 -21.124 1.00 0.00 C ATOM 0 H PHE A 20 17.504 7.142 -17.789 1.00 0.00 H new ATOM 0 HA PHE A 20 15.010 8.346 -18.181 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.228 6.836 -19.759 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.823 5.476 -18.732 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.339 8.172 -20.860 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.675 4.419 -18.852 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.162 7.927 -22.031 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.522 4.153 -20.060 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.756 5.914 -21.640 1.00 0.00 H new ATOM 346 N VAL A 21 14.959 5.765 -16.075 1.00 0.00 N ATOM 347 CA VAL A 21 14.236 5.142 -14.978 1.00 0.00 C ATOM 348 C VAL A 21 14.019 6.156 -13.847 1.00 0.00 C ATOM 349 O VAL A 21 12.922 6.203 -13.292 1.00 0.00 O ATOM 350 CB VAL A 21 14.991 3.872 -14.525 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.329 3.190 -13.327 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.042 2.822 -15.643 1.00 0.00 C ATOM 0 H VAL A 21 15.847 5.310 -16.285 1.00 0.00 H new ATOM 0 HA VAL A 21 13.244 4.828 -15.302 1.00 0.00 H new ATOM 0 HB VAL A 21 15.989 4.219 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.901 2.304 -13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.301 3.881 -12.484 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.312 2.898 -13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.580 1.942 -15.291 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.027 2.539 -15.923 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.555 3.238 -16.510 1.00 0.00 H new ATOM 362 N GLN A 22 15.012 6.996 -13.521 1.00 0.00 N ATOM 363 CA GLN A 22 14.867 8.009 -12.479 1.00 0.00 C ATOM 364 C GLN A 22 13.684 8.930 -12.778 1.00 0.00 C ATOM 365 O GLN A 22 12.842 9.161 -11.910 1.00 0.00 O ATOM 366 CB GLN A 22 16.173 8.821 -12.316 1.00 0.00 C ATOM 367 CG GLN A 22 16.204 9.634 -11.005 1.00 0.00 C ATOM 368 CD GLN A 22 16.573 8.820 -9.766 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.736 9.369 -8.682 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.723 7.511 -9.896 1.00 0.00 N ATOM 0 H GLN A 22 15.928 6.989 -13.970 1.00 0.00 H new ATOM 0 HA GLN A 22 14.668 7.500 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.025 8.141 -12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.284 9.499 -13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.918 10.450 -11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.225 10.086 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.584 7.069 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.978 6.944 -9.087 1.00 0.00 H new ATOM 379 N MET A 23 13.613 9.444 -14.003 1.00 0.00 N ATOM 380 CA MET A 23 12.597 10.412 -14.386 1.00 0.00 C ATOM 381 C MET A 23 11.230 9.734 -14.483 1.00 0.00 C ATOM 382 O MET A 23 10.230 10.313 -14.057 1.00 0.00 O ATOM 383 CB MET A 23 13.008 11.077 -15.705 1.00 0.00 C ATOM 384 CG MET A 23 14.315 11.866 -15.525 1.00 0.00 C ATOM 385 SD MET A 23 14.982 12.562 -17.061 1.00 0.00 S ATOM 386 CE MET A 23 16.520 13.274 -16.417 1.00 0.00 C ATOM 0 H MET A 23 14.258 9.200 -14.754 1.00 0.00 H new ATOM 0 HA MET A 23 12.514 11.189 -13.626 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.138 10.318 -16.477 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.217 11.745 -16.044 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.142 12.677 -14.817 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.064 11.210 -15.081 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.069 13.750 -17.230 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.286 14.016 -15.653 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.132 12.484 -15.980 1.00 0.00 H new ATOM 396 N GLU A 24 11.176 8.495 -14.977 1.00 0.00 N ATOM 397 CA GLU A 24 9.932 7.740 -15.081 1.00 0.00 C ATOM 398 C GLU A 24 9.381 7.361 -13.699 1.00 0.00 C ATOM 399 O GLU A 24 8.163 7.298 -13.536 1.00 0.00 O ATOM 400 CB GLU A 24 10.131 6.504 -15.974 1.00 0.00 C ATOM 401 CG GLU A 24 10.308 6.865 -17.462 1.00 0.00 C ATOM 402 CD GLU A 24 9.047 7.510 -18.052 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.122 6.785 -18.482 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.924 8.756 -18.031 1.00 0.00 O ATOM 0 H GLU A 24 11.995 7.990 -15.315 1.00 0.00 H new ATOM 0 HA GLU A 24 9.184 8.380 -15.550 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.006 5.952 -15.632 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.273 5.841 -15.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.150 7.549 -17.571 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.553 5.965 -18.027 1.00 0.00 H new ATOM 411 N ALA A 25 10.243 7.157 -12.697 1.00 0.00 N ATOM 412 CA ALA A 25 9.815 6.958 -11.317 1.00 0.00 C ATOM 413 C ALA A 25 9.304 8.269 -10.723 1.00 0.00 C ATOM 414 O ALA A 25 8.271 8.285 -10.051 1.00 0.00 O ATOM 415 CB ALA A 25 10.992 6.460 -10.480 1.00 0.00 C ATOM 0 H ALA A 25 11.255 7.126 -12.824 1.00 0.00 H new ATOM 0 HA ALA A 25 9.012 6.221 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.669 6.312 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.353 5.515 -10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.795 7.197 -10.506 1.00 0.00 H new ATOM 421 N ASP A 26 10.029 9.367 -10.961 1.00 0.00 N ATOM 422 CA ASP A 26 9.740 10.675 -10.379 1.00 0.00 C ATOM 423 C ASP A 26 8.404 11.220 -10.875 1.00 0.00 C ATOM 424 O ASP A 26 7.581 11.643 -10.063 1.00 0.00 O ATOM 425 CB ASP A 26 10.862 11.666 -10.700 1.00 0.00 C ATOM 426 CG ASP A 26 10.523 13.061 -10.150 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.653 13.280 -8.925 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.146 13.952 -10.942 1.00 0.00 O ATOM 0 H ASP A 26 10.845 9.368 -11.573 1.00 0.00 H new ATOM 0 HA ASP A 26 9.676 10.549 -9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.799 11.316 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.010 11.720 -11.779 1.00 0.00 H new ATOM 433 N LYS A 27 8.124 11.132 -12.183 1.00 0.00 N ATOM 434 CA LYS A 27 6.828 11.541 -12.737 1.00 0.00 C ATOM 435 C LYS A 27 5.669 10.698 -12.205 1.00 0.00 C ATOM 436 O LYS A 27 4.515 11.105 -12.334 1.00 0.00 O ATOM 437 CB LYS A 27 6.879 11.625 -14.277 1.00 0.00 C ATOM 438 CG LYS A 27 6.986 10.293 -15.039 1.00 0.00 C ATOM 439 CD LYS A 27 5.636 9.606 -15.320 1.00 0.00 C ATOM 440 CE LYS A 27 5.800 8.324 -16.149 1.00 0.00 C ATOM 441 NZ LYS A 27 6.198 8.590 -17.553 1.00 0.00 N ATOM 0 H LYS A 27 8.782 10.780 -12.879 1.00 0.00 H new ATOM 0 HA LYS A 27 6.622 12.551 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.982 12.142 -14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.731 12.246 -14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.493 10.472 -15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.614 9.611 -14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.149 9.366 -14.375 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.981 10.298 -15.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.549 7.687 -15.679 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.861 7.770 -16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.277 7.690 -18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.481 9.188 -18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.116 9.078 -17.567 1.00 0.00 H new ATOM 455 N ARG A 28 5.956 9.542 -11.599 1.00 0.00 N ATOM 456 CA ARG A 28 4.969 8.644 -11.006 1.00 0.00 C ATOM 457 C ARG A 28 5.055 8.660 -9.471 1.00 0.00 C ATOM 458 O ARG A 28 4.394 7.852 -8.822 1.00 0.00 O ATOM 459 CB ARG A 28 5.170 7.240 -11.615 1.00 0.00 C ATOM 460 CG ARG A 28 3.863 6.451 -11.781 1.00 0.00 C ATOM 461 CD ARG A 28 3.020 6.968 -12.956 1.00 0.00 C ATOM 462 NE ARG A 28 1.838 6.113 -13.185 1.00 0.00 N ATOM 463 CZ ARG A 28 0.654 6.165 -12.565 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.376 7.123 -11.685 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.233 5.212 -12.829 1.00 0.00 N ATOM 0 H ARG A 28 6.912 9.198 -11.506 1.00 0.00 H new ATOM 0 HA ARG A 28 3.958 8.977 -11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.651 7.340 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.850 6.672 -10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.094 5.397 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.281 6.517 -10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.699 7.990 -12.754 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.630 6.998 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 28 1.936 5.396 -13.903 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.072 7.837 -11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.534 7.144 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.002 4.469 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.145 5.223 -12.372 1.00 0.00 H new ATOM 479 N LYS A 29 5.837 9.583 -8.889 1.00 0.00 N ATOM 480 CA LYS A 29 6.060 9.766 -7.451 1.00 0.00 C ATOM 481 C LYS A 29 6.383 8.454 -6.718 1.00 0.00 C ATOM 482 O LYS A 29 5.978 8.268 -5.568 1.00 0.00 O ATOM 483 CB LYS A 29 4.893 10.562 -6.830 1.00 0.00 C ATOM 484 CG LYS A 29 4.703 11.942 -7.485 1.00 0.00 C ATOM 485 CD LYS A 29 3.577 12.724 -6.798 1.00 0.00 C ATOM 486 CE LYS A 29 3.408 14.097 -7.464 1.00 0.00 C ATOM 487 NZ LYS A 29 2.328 14.897 -6.834 1.00 0.00 N ATOM 0 H LYS A 29 6.360 10.260 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 29 6.962 10.364 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.972 9.987 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.074 10.692 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.633 12.508 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.472 11.818 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.644 12.164 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.804 12.850 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.347 14.646 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.186 13.961 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.250 15.815 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.426 14.386 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.551 15.051 -5.830 1.00 0.00 H new ATOM 501 N LEU A 30 7.094 7.531 -7.373 1.00 0.00 N ATOM 502 CA LEU A 30 7.585 6.307 -6.733 1.00 0.00 C ATOM 503 C LEU A 30 8.800 6.632 -5.857 1.00 0.00 C ATOM 504 O LEU A 30 9.366 7.725 -5.952 1.00 0.00 O ATOM 505 CB LEU A 30 7.926 5.251 -7.798 1.00 0.00 C ATOM 506 CG LEU A 30 6.692 4.718 -8.552 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.147 3.781 -9.664 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.719 3.954 -7.650 1.00 0.00 C ATOM 0 H LEU A 30 7.345 7.611 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 30 6.805 5.893 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.623 5.683 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.438 4.416 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 30 6.167 5.588 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.276 3.402 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.791 4.324 -10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.700 2.946 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.872 3.605 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.229 3.099 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.362 4.613 -6.859 1.00 0.00 H new ATOM 520 N ALA A 31 9.220 5.680 -5.018 1.00 0.00 N ATOM 521 CA ALA A 31 10.406 5.789 -4.171 1.00 0.00 C ATOM 522 C ALA A 31 11.149 4.448 -4.174 1.00 0.00 C ATOM 523 O ALA A 31 10.534 3.412 -4.432 1.00 0.00 O ATOM 524 CB ALA A 31 9.990 6.204 -2.756 1.00 0.00 C ATOM 0 H ALA A 31 8.731 4.792 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 31 11.080 6.554 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.875 6.285 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.482 7.168 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.316 5.455 -2.341 1.00 0.00 H new ATOM 530 N GLY A 32 12.467 4.467 -3.951 1.00 0.00 N ATOM 531 CA GLY A 32 13.334 3.309 -4.158 1.00 0.00 C ATOM 532 C GLY A 32 14.652 3.722 -4.816 1.00 0.00 C ATOM 533 O GLY A 32 15.097 4.858 -4.630 1.00 0.00 O ATOM 0 H GLY A 32 12.963 5.294 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.536 2.826 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.825 2.576 -4.784 1.00 0.00 H new ATOM 537 N TRP A 33 15.274 2.838 -5.600 1.00 0.00 N ATOM 538 CA TRP A 33 16.494 3.149 -6.338 1.00 0.00 C ATOM 539 C TRP A 33 16.543 2.481 -7.710 1.00 0.00 C ATOM 540 O TRP A 33 15.837 1.507 -7.983 1.00 0.00 O ATOM 541 CB TRP A 33 17.741 2.772 -5.517 1.00 0.00 C ATOM 542 CG TRP A 33 17.935 1.330 -5.122 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.327 0.311 -5.928 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.843 0.747 -3.784 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.459 -0.851 -5.194 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.224 -0.627 -3.859 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.510 1.246 -2.506 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.304 -1.450 -2.728 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.568 0.424 -1.364 1.00 0.00 C ATOM 550 CH2 TRP A 33 17.971 -0.920 -1.471 1.00 0.00 C ATOM 0 H TRP A 33 14.942 1.884 -5.739 1.00 0.00 H new ATOM 0 HA TRP A 33 16.487 4.226 -6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.618 3.080 -6.086 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.729 3.367 -4.604 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.509 0.397 -6.989 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.700 -1.759 -5.592 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.205 2.277 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.618 -2.479 -2.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.301 0.828 -0.399 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.024 -1.542 -0.589 1.00 0.00 H new ATOM 561 N VAL A 34 17.471 2.956 -8.540 1.00 0.00 N ATOM 562 CA VAL A 34 17.989 2.240 -9.698 1.00 0.00 C ATOM 563 C VAL A 34 19.514 2.285 -9.605 1.00 0.00 C ATOM 564 O VAL A 34 20.078 3.270 -9.116 1.00 0.00 O ATOM 565 CB VAL A 34 17.407 2.819 -11.007 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.695 4.317 -11.201 1.00 0.00 C ATOM 567 CG2 VAL A 34 17.901 2.054 -12.242 1.00 0.00 C ATOM 0 H VAL A 34 17.893 3.877 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 34 17.679 1.195 -9.708 1.00 0.00 H new ATOM 0 HB VAL A 34 16.329 2.696 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.256 4.653 -12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.261 4.881 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.772 4.480 -11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.468 2.494 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 34 18.988 2.114 -12.297 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.599 1.009 -12.168 1.00 0.00 H new ATOM 577 N LYS A 35 20.192 1.217 -10.029 1.00 0.00 N ATOM 578 CA LYS A 35 21.639 1.104 -9.911 1.00 0.00 C ATOM 579 C LYS A 35 22.239 0.210 -10.984 1.00 0.00 C ATOM 580 O LYS A 35 21.566 -0.659 -11.540 1.00 0.00 O ATOM 581 CB LYS A 35 22.000 0.588 -8.505 1.00 0.00 C ATOM 582 CG LYS A 35 21.520 -0.840 -8.191 1.00 0.00 C ATOM 583 CD LYS A 35 21.792 -1.245 -6.733 1.00 0.00 C ATOM 584 CE LYS A 35 23.229 -1.009 -6.249 1.00 0.00 C ATOM 585 NZ LYS A 35 24.234 -1.843 -6.953 1.00 0.00 N ATOM 0 H LYS A 35 19.749 0.408 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 35 22.067 2.096 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.083 0.624 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.577 1.268 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.451 -0.913 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.018 -1.543 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.112 -0.692 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.555 -2.302 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.482 0.043 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.282 -1.214 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.187 -1.598 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.046 -2.848 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 24.175 -1.668 -7.976 1.00 0.00 H new ATOM 599 N ASN A 36 23.540 0.387 -11.210 1.00 0.00 N ATOM 600 CA ASN A 36 24.383 -0.599 -11.879 1.00 0.00 C ATOM 601 C ASN A 36 24.420 -1.865 -11.016 1.00 0.00 C ATOM 602 O ASN A 36 24.465 -1.764 -9.786 1.00 0.00 O ATOM 603 CB ASN A 36 25.799 -0.013 -12.024 1.00 0.00 C ATOM 604 CG ASN A 36 26.835 -1.057 -12.434 1.00 0.00 C ATOM 605 OD1 ASN A 36 27.451 -1.701 -11.591 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.056 -1.236 -13.724 1.00 0.00 N ATOM 0 H ASN A 36 24.043 1.229 -10.930 1.00 0.00 H new ATOM 0 HA ASN A 36 23.993 -0.844 -12.867 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.782 0.786 -12.766 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.099 0.437 -11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.748 -1.919 -14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 36 26.534 -0.692 -14.411 1.00 0.00 H new ATOM 668 N ARG A 41 24.324 -5.935 -15.397 1.00 0.00 N ATOM 669 CA ARG A 41 22.898 -5.641 -15.519 1.00 0.00 C ATOM 670 C ARG A 41 22.584 -4.315 -14.831 1.00 0.00 C ATOM 671 O ARG A 41 23.455 -3.681 -14.230 1.00 0.00 O ATOM 672 CB ARG A 41 22.097 -6.823 -14.937 1.00 0.00 C ATOM 673 CG ARG A 41 21.974 -8.034 -15.880 1.00 0.00 C ATOM 674 CD ARG A 41 23.214 -8.375 -16.729 1.00 0.00 C ATOM 675 NE ARG A 41 22.956 -9.443 -17.698 1.00 0.00 N ATOM 676 CZ ARG A 41 22.897 -10.760 -17.485 1.00 0.00 C ATOM 677 NH1 ARG A 41 23.265 -11.286 -16.320 1.00 0.00 N ATOM 678 NH2 ARG A 41 22.454 -11.538 -18.467 1.00 0.00 N ATOM 0 HA ARG A 41 22.610 -5.527 -16.564 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.571 -7.146 -14.010 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.097 -6.476 -14.679 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.720 -8.908 -15.281 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.137 -7.857 -16.555 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.545 -7.481 -17.258 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.029 -8.676 -16.071 1.00 0.00 H new ATOM 0 HE ARG A 41 22.801 -9.142 -18.660 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.599 -10.681 -15.570 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.213 -12.295 -16.177 1.00 0.00 H new ATOM 0 HH21 ARG A 41 22.170 -11.126 -19.356 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.398 -12.548 -18.332 1.00 0.00 H new ATOM 692 N VAL A 42 21.324 -3.905 -14.899 1.00 0.00 N ATOM 693 CA VAL A 42 20.780 -2.800 -14.124 1.00 0.00 C ATOM 694 C VAL A 42 19.793 -3.437 -13.146 1.00 0.00 C ATOM 695 O VAL A 42 19.091 -4.381 -13.511 1.00 0.00 O ATOM 696 CB VAL A 42 20.140 -1.772 -15.083 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.460 -0.603 -14.352 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.202 -1.182 -16.027 1.00 0.00 C ATOM 0 H VAL A 42 20.635 -4.344 -15.511 1.00 0.00 H new ATOM 0 HA VAL A 42 21.530 -2.242 -13.563 1.00 0.00 H new ATOM 0 HB VAL A 42 19.379 -2.321 -15.638 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.031 0.083 -15.083 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.670 -0.987 -13.707 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.197 -0.074 -13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.734 -0.460 -16.696 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.975 -0.685 -15.440 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.651 -1.982 -16.615 1.00 0.00 H new ATOM 708 N GLU A 43 19.736 -2.927 -11.917 1.00 0.00 N ATOM 709 CA GLU A 43 18.766 -3.320 -10.902 1.00 0.00 C ATOM 710 C GLU A 43 17.925 -2.084 -10.606 1.00 0.00 C ATOM 711 O GLU A 43 18.448 -0.974 -10.495 1.00 0.00 O ATOM 712 CB GLU A 43 19.488 -3.832 -9.640 1.00 0.00 C ATOM 713 CG GLU A 43 18.545 -4.059 -8.439 1.00 0.00 C ATOM 714 CD GLU A 43 19.296 -4.288 -7.118 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.983 -5.325 -6.971 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.168 -3.433 -6.211 1.00 0.00 O ATOM 0 H GLU A 43 20.383 -2.208 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 43 18.131 -4.136 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.995 -4.768 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.259 -3.115 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.889 -3.195 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.908 -4.920 -8.642 1.00 0.00 H new ATOM 723 N ILE A 44 16.623 -2.289 -10.447 1.00 0.00 N ATOM 724 CA ILE A 44 15.627 -1.297 -10.095 1.00 0.00 C ATOM 725 C ILE A 44 14.896 -1.901 -8.896 1.00 0.00 C ATOM 726 O ILE A 44 14.636 -3.106 -8.876 1.00 0.00 O ATOM 727 CB ILE A 44 14.681 -1.098 -11.300 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.438 -0.749 -12.607 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.626 -0.015 -11.010 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.643 -1.160 -13.837 1.00 0.00 C ATOM 0 H ILE A 44 16.213 -3.215 -10.570 1.00 0.00 H new ATOM 0 HA ILE A 44 16.042 -0.319 -9.850 1.00 0.00 H new ATOM 0 HB ILE A 44 14.183 -2.056 -11.450 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.634 0.323 -12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.406 -1.250 -12.613 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.976 0.101 -11.877 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.030 -0.310 -10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.124 0.932 -10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.203 -0.901 -14.736 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.470 -2.236 -13.815 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.686 -0.638 -13.843 1.00 0.00 H new ATOM 742 N LEU A 45 14.545 -1.093 -7.902 1.00 0.00 N ATOM 743 CA LEU A 45 13.822 -1.533 -6.717 1.00 0.00 C ATOM 744 C LEU A 45 12.919 -0.370 -6.342 1.00 0.00 C ATOM 745 O LEU A 45 13.423 0.737 -6.165 1.00 0.00 O ATOM 746 CB LEU A 45 14.835 -1.883 -5.613 1.00 0.00 C ATOM 747 CG LEU A 45 14.288 -2.812 -4.515 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.438 -3.160 -3.567 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.141 -2.215 -3.688 1.00 0.00 C ATOM 0 H LEU A 45 14.759 -0.096 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 45 13.224 -2.430 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.704 -2.356 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.182 -0.959 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 45 13.878 -3.685 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.073 -3.819 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.229 -3.663 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.832 -2.246 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.818 -2.938 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.484 -1.307 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.305 -1.976 -4.345 1.00 0.00 H new ATOM 761 N ALA A 46 11.605 -0.584 -6.268 1.00 0.00 N ATOM 762 CA ALA A 46 10.649 0.489 -6.050 1.00 0.00 C ATOM 763 C ALA A 46 9.498 0.013 -5.177 1.00 0.00 C ATOM 764 O ALA A 46 9.107 -1.154 -5.232 1.00 0.00 O ATOM 765 CB ALA A 46 10.110 0.983 -7.399 1.00 0.00 C ATOM 0 H ALA A 46 11.179 -1.507 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 46 11.155 1.308 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.394 1.787 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.935 1.353 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.618 0.160 -7.917 1.00 0.00 H new ATOM 771 N GLU A 47 8.921 0.948 -4.429 1.00 0.00 N ATOM 772 CA GLU A 47 7.663 0.803 -3.710 1.00 0.00 C ATOM 773 C GLU A 47 6.686 1.875 -4.206 1.00 0.00 C ATOM 774 O GLU A 47 7.109 2.956 -4.636 1.00 0.00 O ATOM 775 CB GLU A 47 7.921 0.914 -2.196 1.00 0.00 C ATOM 776 CG GLU A 47 8.259 2.352 -1.751 1.00 0.00 C ATOM 777 CD GLU A 47 8.862 2.446 -0.347 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.648 1.536 0.481 1.00 0.00 O ATOM 779 OE2 GLU A 47 9.562 3.443 -0.064 1.00 0.00 O ATOM 0 H GLU A 47 9.338 1.870 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 47 7.220 -0.175 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.039 0.569 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.742 0.251 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.958 2.787 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.351 2.955 -1.786 1.00 0.00 H new ATOM 786 N GLY A 48 5.383 1.595 -4.131 1.00 0.00 N ATOM 787 CA GLY A 48 4.345 2.548 -4.495 1.00 0.00 C ATOM 788 C GLY A 48 2.980 1.884 -4.652 1.00 0.00 C ATOM 789 O GLY A 48 2.846 0.685 -4.390 1.00 0.00 O ATOM 0 H GLY A 48 5.022 0.695 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.284 3.324 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.617 3.040 -5.429 1.00 0.00 H new ATOM 793 N PRO A 49 1.953 2.650 -5.057 1.00 0.00 N ATOM 794 CA PRO A 49 0.672 2.109 -5.491 1.00 0.00 C ATOM 795 C PRO A 49 0.853 1.090 -6.620 1.00 0.00 C ATOM 796 O PRO A 49 1.691 1.274 -7.506 1.00 0.00 O ATOM 797 CB PRO A 49 -0.150 3.313 -5.967 1.00 0.00 C ATOM 798 CG PRO A 49 0.489 4.503 -5.253 1.00 0.00 C ATOM 799 CD PRO A 49 1.959 4.101 -5.157 1.00 0.00 C ATOM 0 HA PRO A 49 0.173 1.578 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.103 3.425 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.202 3.207 -5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.360 5.427 -5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.050 4.665 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.516 4.433 -6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.435 4.554 -4.287 1.00 0.00 H new ATOM 807 N GLU A 50 0.017 0.053 -6.635 1.00 0.00 N ATOM 808 CA GLU A 50 0.078 -1.017 -7.627 1.00 0.00 C ATOM 809 C GLU A 50 -0.071 -0.471 -9.053 1.00 0.00 C ATOM 810 O GLU A 50 0.585 -0.958 -9.973 1.00 0.00 O ATOM 811 CB GLU A 50 -1.007 -2.084 -7.370 1.00 0.00 C ATOM 812 CG GLU A 50 -1.020 -2.707 -5.966 1.00 0.00 C ATOM 813 CD GLU A 50 -1.745 -1.853 -4.911 1.00 0.00 C ATOM 814 OE1 GLU A 50 -2.971 -2.025 -4.722 1.00 0.00 O ATOM 815 OE2 GLU A 50 -1.083 -1.015 -4.256 1.00 0.00 O ATOM 0 H GLU A 50 -0.730 -0.068 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 50 1.060 -1.480 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.982 -1.634 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.882 -2.884 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.498 -3.685 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.008 -2.871 -5.643 1.00 0.00 H new ATOM 822 N ASN A 51 -0.930 0.534 -9.261 1.00 0.00 N ATOM 823 CA ASN A 51 -1.148 1.130 -10.582 1.00 0.00 C ATOM 824 C ASN A 51 0.095 1.896 -11.042 1.00 0.00 C ATOM 825 O ASN A 51 0.542 1.741 -12.178 1.00 0.00 O ATOM 826 CB ASN A 51 -2.367 2.064 -10.542 1.00 0.00 C ATOM 827 CG ASN A 51 -2.661 2.697 -11.904 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.554 2.056 -12.944 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.050 3.962 -11.930 1.00 0.00 N ATOM 0 H ASN A 51 -1.491 0.955 -8.520 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.339 0.330 -11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.240 1.503 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.194 2.851 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.264 4.412 -12.820 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.136 4.487 -11.060 1.00 0.00 H new ATOM 836 N ALA A 52 0.683 2.689 -10.138 1.00 0.00 N ATOM 837 CA ALA A 52 1.899 3.444 -10.409 1.00 0.00 C ATOM 838 C ALA A 52 3.041 2.500 -10.777 1.00 0.00 C ATOM 839 O ALA A 52 3.751 2.737 -11.756 1.00 0.00 O ATOM 840 CB ALA A 52 2.256 4.297 -9.185 1.00 0.00 C ATOM 0 H ALA A 52 0.321 2.821 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 52 1.732 4.107 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.166 4.862 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.440 4.988 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.416 3.648 -8.324 1.00 0.00 H new ATOM 846 N LEU A 53 3.192 1.410 -10.023 1.00 0.00 N ATOM 847 CA LEU A 53 4.207 0.407 -10.289 1.00 0.00 C ATOM 848 C LEU A 53 3.965 -0.266 -11.639 1.00 0.00 C ATOM 849 O LEU A 53 4.924 -0.454 -12.377 1.00 0.00 O ATOM 850 CB LEU A 53 4.251 -0.611 -9.139 1.00 0.00 C ATOM 851 CG LEU A 53 4.943 -0.077 -7.867 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.744 -1.082 -6.733 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.450 0.161 -8.038 1.00 0.00 C ATOM 0 H LEU A 53 2.610 1.204 -9.211 1.00 0.00 H new ATOM 0 HA LEU A 53 5.182 0.892 -10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.233 -0.910 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.772 -1.506 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 53 4.485 0.887 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.230 -0.713 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.678 -1.212 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.182 -2.040 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.868 0.536 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.939 -0.776 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.615 0.893 -8.829 1.00 0.00 H new ATOM 865 N GLN A 54 2.724 -0.587 -12.019 1.00 0.00 N ATOM 866 CA GLN A 54 2.451 -1.179 -13.332 1.00 0.00 C ATOM 867 C GLN A 54 2.862 -0.231 -14.467 1.00 0.00 C ATOM 868 O GLN A 54 3.561 -0.665 -15.393 1.00 0.00 O ATOM 869 CB GLN A 54 0.975 -1.591 -13.438 1.00 0.00 C ATOM 870 CG GLN A 54 0.715 -2.901 -12.678 1.00 0.00 C ATOM 871 CD GLN A 54 -0.780 -3.139 -12.474 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.445 -3.805 -13.265 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.335 -2.588 -11.408 1.00 0.00 N ATOM 0 H GLN A 54 1.897 -0.448 -11.439 1.00 0.00 H new ATOM 0 HA GLN A 54 3.057 -2.079 -13.436 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.343 -0.800 -13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.702 -1.714 -14.486 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.146 -3.736 -13.231 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.215 -2.867 -11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.766 -2.039 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.332 -2.712 -11.230 1.00 0.00 H new ATOM 882 N SER A 55 2.520 1.063 -14.377 1.00 0.00 N ATOM 883 CA SER A 55 2.999 2.045 -15.348 1.00 0.00 C ATOM 884 C SER A 55 4.530 2.053 -15.406 1.00 0.00 C ATOM 885 O SER A 55 5.116 2.187 -16.480 1.00 0.00 O ATOM 886 CB SER A 55 2.518 3.451 -14.985 1.00 0.00 C ATOM 887 OG SER A 55 1.130 3.502 -14.694 1.00 0.00 O ATOM 0 H SER A 55 1.919 1.446 -13.647 1.00 0.00 H new ATOM 0 HA SER A 55 2.597 1.761 -16.320 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.078 3.810 -14.122 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.736 4.129 -15.810 1.00 0.00 H new ATOM 0 HG SER A 55 0.715 4.227 -15.206 1.00 0.00 H new ATOM 893 N PHE A 56 5.185 1.899 -14.255 1.00 0.00 N ATOM 894 CA PHE A 56 6.629 1.887 -14.176 1.00 0.00 C ATOM 895 C PHE A 56 7.215 0.622 -14.816 1.00 0.00 C ATOM 896 O PHE A 56 8.235 0.748 -15.487 1.00 0.00 O ATOM 897 CB PHE A 56 7.053 2.114 -12.722 1.00 0.00 C ATOM 898 CG PHE A 56 8.517 2.426 -12.477 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.187 3.396 -13.250 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.189 1.809 -11.403 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.524 3.716 -12.965 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.523 2.133 -11.117 1.00 0.00 C ATOM 903 CZ PHE A 56 11.187 3.090 -11.895 1.00 0.00 C ATOM 0 H PHE A 56 4.720 1.780 -13.355 1.00 0.00 H new ATOM 0 HA PHE A 56 7.046 2.706 -14.762 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.459 2.934 -12.319 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.795 1.223 -12.150 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.673 3.892 -14.060 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.672 1.081 -10.795 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.044 4.445 -13.569 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.036 1.647 -10.300 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.212 3.348 -11.672 1.00 0.00 H new ATOM 913 N VAL A 57 6.571 -0.555 -14.743 1.00 0.00 N ATOM 914 CA VAL A 57 7.024 -1.708 -15.528 1.00 0.00 C ATOM 915 C VAL A 57 6.903 -1.373 -17.012 1.00 0.00 C ATOM 916 O VAL A 57 7.844 -1.633 -17.758 1.00 0.00 O ATOM 917 CB VAL A 57 6.274 -3.026 -15.226 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.008 -4.207 -15.887 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.164 -3.343 -13.735 1.00 0.00 C ATOM 0 H VAL A 57 5.752 -0.729 -14.160 1.00 0.00 H new ATOM 0 HA VAL A 57 8.060 -1.890 -15.241 1.00 0.00 H new ATOM 0 HB VAL A 57 5.268 -2.888 -15.623 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.475 -5.133 -15.671 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.047 -4.054 -16.965 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.022 -4.271 -15.493 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.626 -4.281 -13.601 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.163 -3.433 -13.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.625 -2.541 -13.231 1.00 0.00 H new ATOM 929 N GLU A 58 5.785 -0.779 -17.450 1.00 0.00 N ATOM 930 CA GLU A 58 5.597 -0.443 -18.858 1.00 0.00 C ATOM 931 C GLU A 58 6.685 0.526 -19.347 1.00 0.00 C ATOM 932 O GLU A 58 7.158 0.397 -20.478 1.00 0.00 O ATOM 933 CB GLU A 58 4.188 0.114 -19.119 1.00 0.00 C ATOM 934 CG GLU A 58 3.106 -0.966 -18.972 1.00 0.00 C ATOM 935 CD GLU A 58 1.713 -0.418 -19.330 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.024 0.145 -18.450 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.282 -0.564 -20.498 1.00 0.00 O ATOM 0 H GLU A 58 5.002 -0.524 -16.848 1.00 0.00 H new ATOM 0 HA GLU A 58 5.693 -1.364 -19.433 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.985 0.928 -18.423 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.145 0.536 -20.123 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.343 -1.811 -19.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.100 -1.340 -17.948 1.00 0.00 H new ATOM 944 N ALA A 59 7.124 1.457 -18.492 1.00 0.00 N ATOM 945 CA ALA A 59 8.243 2.335 -18.781 1.00 0.00 C ATOM 946 C ALA A 59 9.560 1.549 -18.848 1.00 0.00 C ATOM 947 O ALA A 59 10.309 1.672 -19.816 1.00 0.00 O ATOM 948 CB ALA A 59 8.324 3.438 -17.721 1.00 0.00 C ATOM 0 H ALA A 59 6.704 1.616 -17.576 1.00 0.00 H new ATOM 0 HA ALA A 59 8.082 2.792 -19.757 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.166 4.094 -17.942 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.401 4.017 -17.727 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.463 2.988 -16.738 1.00 0.00 H new ATOM 954 N VAL A 60 9.851 0.739 -17.828 1.00 0.00 N ATOM 955 CA VAL A 60 11.116 0.033 -17.678 1.00 0.00 C ATOM 956 C VAL A 60 11.317 -0.970 -18.816 1.00 0.00 C ATOM 957 O VAL A 60 12.406 -1.022 -19.390 1.00 0.00 O ATOM 958 CB VAL A 60 11.148 -0.616 -16.275 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.208 -1.713 -16.120 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.412 0.461 -15.207 1.00 0.00 C ATOM 0 H VAL A 60 9.196 0.554 -17.068 1.00 0.00 H new ATOM 0 HA VAL A 60 11.955 0.725 -17.749 1.00 0.00 H new ATOM 0 HB VAL A 60 10.172 -1.084 -16.145 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.167 -2.118 -15.109 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.015 -2.510 -16.839 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.197 -1.292 -16.302 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.433 -0.002 -14.221 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.371 0.941 -15.403 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.619 1.208 -15.240 1.00 0.00 H new ATOM 970 N LYS A 61 10.291 -1.749 -19.182 1.00 0.00 N ATOM 971 CA LYS A 61 10.437 -2.817 -20.171 1.00 0.00 C ATOM 972 C LYS A 61 10.791 -2.284 -21.564 1.00 0.00 C ATOM 973 O LYS A 61 11.334 -3.033 -22.375 1.00 0.00 O ATOM 974 CB LYS A 61 9.196 -3.732 -20.175 1.00 0.00 C ATOM 975 CG LYS A 61 7.940 -3.121 -20.821 1.00 0.00 C ATOM 976 CD LYS A 61 6.772 -4.117 -20.790 1.00 0.00 C ATOM 977 CE LYS A 61 5.574 -3.570 -21.580 1.00 0.00 C ATOM 978 NZ LYS A 61 4.435 -4.523 -21.601 1.00 0.00 N ATOM 0 H LYS A 61 9.348 -1.656 -18.804 1.00 0.00 H new ATOM 0 HA LYS A 61 11.288 -3.429 -19.874 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.445 -4.654 -20.701 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.961 -4.005 -19.146 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.661 -2.209 -20.293 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.156 -2.839 -21.851 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.089 -5.070 -21.213 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.477 -4.308 -19.758 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.249 -2.628 -21.139 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.883 -3.353 -22.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.649 -4.113 -22.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.736 -5.414 -22.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.121 -4.711 -20.627 1.00 0.00 H new ATOM 992 N ASN A 62 10.509 -1.007 -21.846 1.00 0.00 N ATOM 993 CA ASN A 62 10.900 -0.363 -23.100 1.00 0.00 C ATOM 994 C ASN A 62 12.418 -0.152 -23.184 1.00 0.00 C ATOM 995 O ASN A 62 12.962 -0.084 -24.286 1.00 0.00 O ATOM 996 CB ASN A 62 10.197 0.998 -23.223 1.00 0.00 C ATOM 997 CG ASN A 62 10.492 1.669 -24.562 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.944 1.291 -25.593 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.340 2.684 -24.574 1.00 0.00 N ATOM 0 H ASN A 62 10.003 -0.392 -21.209 1.00 0.00 H new ATOM 0 HA ASN A 62 10.602 -1.021 -23.916 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.121 0.863 -23.113 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.521 1.649 -22.411 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.547 3.165 -25.449 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.787 2.986 -23.708 1.00 0.00 H new ATOM 1006 N GLY A 63 13.103 -0.021 -22.043 1.00 0.00 N ATOM 1007 CA GLY A 63 14.380 0.681 -21.979 1.00 0.00 C ATOM 1008 C GLY A 63 14.145 2.184 -22.165 1.00 0.00 C ATOM 1009 O GLY A 63 12.998 2.630 -22.285 1.00 0.00 O ATOM 0 H GLY A 63 12.788 -0.396 -21.148 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.863 0.493 -21.020 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.052 0.308 -22.752 1.00 0.00 H new ATOM 1013 N SER A 64 15.209 2.985 -22.241 1.00 0.00 N ATOM 1014 CA SER A 64 15.074 4.287 -22.890 1.00 0.00 C ATOM 1015 C SER A 64 14.781 4.023 -24.379 1.00 0.00 C ATOM 1016 O SER A 64 15.194 2.980 -24.893 1.00 0.00 O ATOM 1017 CB SER A 64 16.341 5.149 -22.746 1.00 0.00 C ATOM 1018 OG SER A 64 17.164 4.754 -21.668 1.00 0.00 O ATOM 0 H SER A 64 16.137 2.768 -21.877 1.00 0.00 H new ATOM 0 HA SER A 64 14.268 4.845 -22.413 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.915 5.097 -23.671 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.050 6.191 -22.610 1.00 0.00 H new ATOM 0 HG SER A 64 17.692 3.970 -21.929 1.00 0.00 H new ATOM 1024 N PRO A 65 14.157 4.956 -25.117 1.00 0.00 N ATOM 1025 CA PRO A 65 14.081 4.902 -26.576 1.00 0.00 C ATOM 1026 C PRO A 65 15.429 4.602 -27.258 1.00 0.00 C ATOM 1027 O PRO A 65 15.463 3.922 -28.284 1.00 0.00 O ATOM 1028 CB PRO A 65 13.522 6.266 -26.991 1.00 0.00 C ATOM 1029 CG PRO A 65 12.655 6.667 -25.797 1.00 0.00 C ATOM 1030 CD PRO A 65 13.405 6.086 -24.599 1.00 0.00 C ATOM 0 HA PRO A 65 13.447 4.075 -26.897 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.317 6.989 -27.172 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.937 6.199 -27.909 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.554 7.750 -25.720 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.648 6.258 -25.877 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.069 6.828 -24.155 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.712 5.771 -23.819 1.00 0.00 H new ATOM 1038 N PHE A 66 16.537 5.091 -26.683 1.00 0.00 N ATOM 1039 CA PHE A 66 17.891 4.859 -27.185 1.00 0.00 C ATOM 1040 C PHE A 66 18.429 3.462 -26.848 1.00 0.00 C ATOM 1041 O PHE A 66 19.328 2.984 -27.540 1.00 0.00 O ATOM 1042 CB PHE A 66 18.836 5.919 -26.595 1.00 0.00 C ATOM 1043 CG PHE A 66 18.368 7.354 -26.780 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.354 7.930 -28.065 1.00 0.00 C ATOM 1045 CD2 PHE A 66 17.925 8.106 -25.673 1.00 0.00 C ATOM 1046 CE1 PHE A 66 17.896 9.249 -28.243 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.467 9.424 -25.853 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.451 9.995 -27.138 1.00 0.00 C ATOM 0 H PHE A 66 16.513 5.668 -25.842 1.00 0.00 H new ATOM 0 HA PHE A 66 17.846 4.931 -28.272 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.959 5.725 -25.530 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.818 5.808 -27.055 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.695 7.359 -28.916 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.937 7.670 -24.685 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.887 9.688 -29.230 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.127 9.998 -25.003 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.097 11.006 -27.276 1.00 0.00 H new ATOM 1058 N SER A 67 17.942 2.822 -25.782 1.00 0.00 N ATOM 1059 CA SER A 67 18.437 1.549 -25.266 1.00 0.00 C ATOM 1060 C SER A 67 17.927 0.360 -26.095 1.00 0.00 C ATOM 1061 O SER A 67 17.100 0.520 -26.998 1.00 0.00 O ATOM 1062 CB SER A 67 17.967 1.407 -23.808 1.00 0.00 C ATOM 1063 OG SER A 67 18.169 2.605 -23.070 1.00 0.00 O ATOM 0 H SER A 67 17.164 3.192 -25.236 1.00 0.00 H new ATOM 0 HA SER A 67 19.525 1.543 -25.327 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.910 1.143 -23.791 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.507 0.590 -23.330 1.00 0.00 H new ATOM 0 HG SER A 67 18.884 2.468 -22.414 1.00 0.00 H new ATOM 1069 N LYS A 68 18.367 -0.854 -25.743 1.00 0.00 N ATOM 1070 CA LYS A 68 17.758 -2.108 -26.185 1.00 0.00 C ATOM 1071 C LYS A 68 17.784 -3.072 -25.006 1.00 0.00 C ATOM 1072 O LYS A 68 18.828 -3.656 -24.719 1.00 0.00 O ATOM 1073 CB LYS A 68 18.495 -2.674 -27.416 1.00 0.00 C ATOM 1074 CG LYS A 68 17.869 -4.000 -27.890 1.00 0.00 C ATOM 1075 CD LYS A 68 18.555 -4.620 -29.116 1.00 0.00 C ATOM 1076 CE LYS A 68 20.031 -4.968 -28.864 1.00 0.00 C ATOM 1077 NZ LYS A 68 20.654 -5.644 -30.031 1.00 0.00 N ATOM 0 H LYS A 68 19.172 -0.992 -25.131 1.00 0.00 H new ATOM 0 HA LYS A 68 16.727 -1.947 -26.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.464 -1.946 -28.226 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.545 -2.833 -27.171 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.900 -4.717 -27.069 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.818 -3.829 -28.124 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.019 -5.523 -29.408 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.489 -3.925 -29.953 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.584 -4.057 -28.636 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.106 -5.614 -27.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.649 -5.860 -29.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.144 -6.527 -30.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.607 -5.019 -30.861 1.00 0.00 H new ATOM 1091 N VAL A 69 16.655 -3.238 -24.319 1.00 0.00 N ATOM 1092 CA VAL A 69 16.461 -4.369 -23.416 1.00 0.00 C ATOM 1093 C VAL A 69 16.477 -5.633 -24.283 1.00 0.00 C ATOM 1094 O VAL A 69 15.827 -5.663 -25.331 1.00 0.00 O ATOM 1095 CB VAL A 69 15.127 -4.228 -22.645 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.914 -5.387 -21.656 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.058 -2.900 -21.875 1.00 0.00 C ATOM 0 H VAL A 69 15.860 -2.602 -24.371 1.00 0.00 H new ATOM 0 HA VAL A 69 17.249 -4.414 -22.664 1.00 0.00 H new ATOM 0 HB VAL A 69 14.337 -4.251 -23.396 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.966 -5.251 -21.135 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.896 -6.331 -22.200 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.728 -5.401 -20.931 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.107 -2.835 -21.345 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.877 -2.853 -21.157 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.140 -2.069 -22.575 1.00 0.00 H new ATOM 1107 N THR A 70 17.177 -6.678 -23.843 1.00 0.00 N ATOM 1108 CA THR A 70 17.158 -7.991 -24.479 1.00 0.00 C ATOM 1109 C THR A 70 16.606 -9.053 -23.517 1.00 0.00 C ATOM 1110 O THR A 70 16.097 -10.076 -23.977 1.00 0.00 O ATOM 1111 CB THR A 70 18.559 -8.336 -25.019 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.520 -8.324 -23.982 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.023 -7.327 -26.079 1.00 0.00 C ATOM 0 H THR A 70 17.781 -6.634 -23.023 1.00 0.00 H new ATOM 0 HA THR A 70 16.482 -7.972 -25.334 1.00 0.00 H new ATOM 0 HB THR A 70 18.478 -9.330 -25.459 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.401 -8.548 -24.349 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.015 -7.604 -26.436 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.323 -7.330 -26.915 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.061 -6.330 -25.640 1.00 0.00 H new ATOM 1121 N ASP A 71 16.635 -8.807 -22.199 1.00 0.00 N ATOM 1122 CA ASP A 71 15.998 -9.654 -21.193 1.00 0.00 C ATOM 1123 C ASP A 71 15.690 -8.819 -19.947 1.00 0.00 C ATOM 1124 O ASP A 71 16.345 -7.806 -19.689 1.00 0.00 O ATOM 1125 CB ASP A 71 16.901 -10.848 -20.844 1.00 0.00 C ATOM 1126 CG ASP A 71 16.256 -11.774 -19.800 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.069 -12.133 -19.963 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.945 -12.170 -18.834 1.00 0.00 O ATOM 0 H ASP A 71 17.112 -7.998 -21.800 1.00 0.00 H new ATOM 0 HA ASP A 71 15.064 -10.049 -21.593 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.116 -11.416 -21.749 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.855 -10.482 -20.464 1.00 0.00 H new ATOM 1133 N ILE A 72 14.684 -9.233 -19.181 1.00 0.00 N ATOM 1134 CA ILE A 72 14.180 -8.553 -17.995 1.00 0.00 C ATOM 1135 C ILE A 72 13.635 -9.624 -17.034 1.00 0.00 C ATOM 1136 O ILE A 72 13.069 -10.628 -17.480 1.00 0.00 O ATOM 1137 CB ILE A 72 13.139 -7.482 -18.417 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.567 -6.738 -17.191 1.00 0.00 C ATOM 1139 CG2 ILE A 72 12.007 -8.043 -19.306 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.784 -5.467 -17.547 1.00 0.00 C ATOM 0 H ILE A 72 14.175 -10.094 -19.382 1.00 0.00 H new ATOM 0 HA ILE A 72 14.961 -8.009 -17.464 1.00 0.00 H new ATOM 0 HB ILE A 72 13.682 -6.765 -19.033 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.913 -7.414 -16.640 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.387 -6.473 -16.523 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.315 -7.241 -19.564 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.434 -8.461 -20.218 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.472 -8.823 -18.765 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.414 -5.000 -16.634 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.439 -4.771 -18.071 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.942 -5.726 -18.189 1.00 0.00 H new ATOM 1152 N SER A 73 13.792 -9.404 -15.728 1.00 0.00 N ATOM 1153 CA SER A 73 13.418 -10.331 -14.659 1.00 0.00 C ATOM 1154 C SER A 73 12.787 -9.527 -13.519 1.00 0.00 C ATOM 1155 O SER A 73 13.121 -8.354 -13.350 1.00 0.00 O ATOM 1156 CB SER A 73 14.670 -11.074 -14.165 1.00 0.00 C ATOM 1157 OG SER A 73 15.316 -11.765 -15.224 1.00 0.00 O ATOM 0 H SER A 73 14.200 -8.540 -15.372 1.00 0.00 H new ATOM 0 HA SER A 73 12.701 -11.067 -15.024 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.364 -10.363 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.390 -11.782 -13.384 1.00 0.00 H new ATOM 0 HG SER A 73 16.109 -12.226 -14.878 1.00 0.00 H new ATOM 1163 N VAL A 74 11.886 -10.134 -12.740 1.00 0.00 N ATOM 1164 CA VAL A 74 11.033 -9.433 -11.777 1.00 0.00 C ATOM 1165 C VAL A 74 10.960 -10.253 -10.480 1.00 0.00 C ATOM 1166 O VAL A 74 10.960 -11.486 -10.509 1.00 0.00 O ATOM 1167 CB VAL A 74 9.629 -9.194 -12.394 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.714 -8.374 -11.465 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.691 -8.482 -13.760 1.00 0.00 C ATOM 0 H VAL A 74 11.727 -11.141 -12.762 1.00 0.00 H new ATOM 0 HA VAL A 74 11.454 -8.456 -11.537 1.00 0.00 H new ATOM 0 HB VAL A 74 9.212 -10.192 -12.530 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.744 -8.234 -11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.582 -8.905 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.168 -7.402 -11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.680 -8.342 -14.143 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.173 -7.511 -13.643 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.264 -9.089 -14.461 1.00 0.00 H new ATOM 1179 N THR A 75 10.868 -9.551 -9.350 1.00 0.00 N ATOM 1180 CA THR A 75 10.631 -10.069 -8.007 1.00 0.00 C ATOM 1181 C THR A 75 9.571 -9.137 -7.399 1.00 0.00 C ATOM 1182 O THR A 75 9.611 -7.934 -7.665 1.00 0.00 O ATOM 1183 CB THR A 75 11.938 -10.011 -7.180 1.00 0.00 C ATOM 1184 OG1 THR A 75 13.111 -10.131 -7.976 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.996 -11.106 -6.116 1.00 0.00 C ATOM 0 H THR A 75 10.964 -8.536 -9.352 1.00 0.00 H new ATOM 0 HA THR A 75 10.301 -11.108 -8.017 1.00 0.00 H new ATOM 0 HB THR A 75 11.917 -9.026 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.147 -11.027 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.931 -11.025 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.156 -10.992 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.942 -12.083 -6.596 1.00 0.00 H new ATOM 1193 N GLU A 76 8.640 -9.636 -6.586 1.00 0.00 N ATOM 1194 CA GLU A 76 7.558 -8.831 -6.011 1.00 0.00 C ATOM 1195 C GLU A 76 7.493 -9.092 -4.506 1.00 0.00 C ATOM 1196 O GLU A 76 7.722 -10.223 -4.058 1.00 0.00 O ATOM 1197 CB GLU A 76 6.217 -9.157 -6.689 1.00 0.00 C ATOM 1198 CG GLU A 76 6.183 -8.735 -8.166 1.00 0.00 C ATOM 1199 CD GLU A 76 4.813 -9.027 -8.802 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.580 -10.167 -9.267 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.956 -8.116 -8.861 1.00 0.00 O ATOM 0 H GLU A 76 8.614 -10.616 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 76 7.758 -7.773 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.029 -10.228 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.412 -8.655 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.404 -7.671 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.961 -9.265 -8.715 1.00 0.00 H new ATOM 1208 N SER A 77 7.191 -8.045 -3.737 1.00 0.00 N ATOM 1209 CA SER A 77 7.372 -7.991 -2.292 1.00 0.00 C ATOM 1210 C SER A 77 6.335 -7.043 -1.673 1.00 0.00 C ATOM 1211 O SER A 77 5.654 -6.298 -2.380 1.00 0.00 O ATOM 1212 CB SER A 77 8.797 -7.486 -1.998 1.00 0.00 C ATOM 1213 OG SER A 77 9.795 -8.314 -2.580 1.00 0.00 O ATOM 0 H SER A 77 6.801 -7.184 -4.119 1.00 0.00 H new ATOM 0 HA SER A 77 7.235 -8.982 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.905 -6.470 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.949 -7.442 -0.920 1.00 0.00 H new ATOM 0 HG SER A 77 10.682 -7.955 -2.369 1.00 0.00 H new ATOM 1219 N ARG A 78 6.228 -7.034 -0.342 1.00 0.00 N ATOM 1220 CA ARG A 78 5.338 -6.147 0.419 1.00 0.00 C ATOM 1221 C ARG A 78 6.125 -5.581 1.614 1.00 0.00 C ATOM 1222 O ARG A 78 5.577 -5.375 2.698 1.00 0.00 O ATOM 1223 CB ARG A 78 4.086 -6.926 0.881 1.00 0.00 C ATOM 1224 CG ARG A 78 3.170 -7.460 -0.232 1.00 0.00 C ATOM 1225 CD ARG A 78 2.368 -6.366 -0.951 1.00 0.00 C ATOM 1226 NE ARG A 78 1.442 -6.972 -1.926 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.312 -6.438 -2.409 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.046 -5.188 -2.123 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.466 -7.171 -3.199 1.00 0.00 N ATOM 0 H ARG A 78 6.771 -7.659 0.254 1.00 0.00 H new ATOM 0 HA ARG A 78 4.995 -5.321 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.412 -7.769 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.497 -6.275 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.776 -7.994 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.477 -8.184 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.808 -5.778 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.047 -5.682 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 78 1.689 -7.900 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.545 -4.613 -1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.912 -4.806 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.200 -8.128 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.329 -6.776 -3.573 1.00 0.00 H new ATOM 1243 N SER A 79 7.430 -5.381 1.440 1.00 0.00 N ATOM 1244 CA SER A 79 8.423 -5.257 2.502 1.00 0.00 C ATOM 1245 C SER A 79 9.060 -3.866 2.395 1.00 0.00 C ATOM 1246 O SER A 79 10.268 -3.721 2.190 1.00 0.00 O ATOM 1247 CB SER A 79 9.420 -6.419 2.376 1.00 0.00 C ATOM 1248 OG SER A 79 8.734 -7.662 2.263 1.00 0.00 O ATOM 0 H SER A 79 7.842 -5.297 0.511 1.00 0.00 H new ATOM 0 HA SER A 79 7.988 -5.331 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.054 -6.267 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.076 -6.438 3.246 1.00 0.00 H new ATOM 0 HG SER A 79 9.386 -8.389 2.182 1.00 0.00 H new ATOM 1254 N LEU A 80 8.184 -2.855 2.431 1.00 0.00 N ATOM 1255 CA LEU A 80 8.417 -1.462 2.051 1.00 0.00 C ATOM 1256 C LEU A 80 9.745 -0.917 2.587 1.00 0.00 C ATOM 1257 O LEU A 80 10.126 -1.164 3.735 1.00 0.00 O ATOM 1258 CB LEU A 80 7.234 -0.595 2.526 1.00 0.00 C ATOM 1259 CG LEU A 80 6.055 -0.500 1.532 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.472 -1.858 1.109 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.944 0.343 2.170 1.00 0.00 C ATOM 0 H LEU A 80 7.226 -3.002 2.750 1.00 0.00 H new ATOM 0 HA LEU A 80 8.488 -1.421 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.863 -0.997 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.599 0.411 2.731 1.00 0.00 H new ATOM 0 HG LEU A 80 6.449 -0.043 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.650 -1.700 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.248 -2.453 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.105 -2.386 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.104 0.420 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.613 -0.131 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.325 1.340 2.390 1.00 0.00 H new ATOM 1273 N GLU A 81 10.422 -0.136 1.748 1.00 0.00 N ATOM 1274 CA GLU A 81 11.655 0.563 2.076 1.00 0.00 C ATOM 1275 C GLU A 81 11.348 1.752 2.995 1.00 0.00 C ATOM 1276 O GLU A 81 12.132 2.051 3.899 1.00 0.00 O ATOM 1277 CB GLU A 81 12.316 1.096 0.790 1.00 0.00 C ATOM 1278 CG GLU A 81 12.736 0.030 -0.233 1.00 0.00 C ATOM 1279 CD GLU A 81 13.731 -0.988 0.362 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.789 -0.577 0.890 1.00 0.00 O ATOM 1281 OE2 GLU A 81 13.463 -2.208 0.306 1.00 0.00 O ATOM 0 H GLU A 81 10.114 0.031 0.790 1.00 0.00 H new ATOM 0 HA GLU A 81 12.328 -0.133 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.624 1.785 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.198 1.673 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.851 -0.496 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.189 0.516 -1.097 1.00 0.00 H new ATOM 1288 N GLY A 82 10.223 2.440 2.760 1.00 0.00 N ATOM 1289 CA GLY A 82 9.972 3.765 3.314 1.00 0.00 C ATOM 1290 C GLY A 82 11.053 4.754 2.860 1.00 0.00 C ATOM 1291 O GLY A 82 11.524 5.563 3.662 1.00 0.00 O ATOM 0 H GLY A 82 9.463 2.087 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.991 4.118 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.954 3.712 4.403 1.00 0.00 H new ATOM 1295 N HIS A 83 11.513 4.630 1.610 1.00 0.00 N ATOM 1296 CA HIS A 83 12.620 5.407 1.065 1.00 0.00 C ATOM 1297 C HIS A 83 12.194 6.875 0.923 1.00 0.00 C ATOM 1298 O HIS A 83 11.029 7.168 0.638 1.00 0.00 O ATOM 1299 CB HIS A 83 13.068 4.801 -0.278 1.00 0.00 C ATOM 1300 CG HIS A 83 14.547 4.929 -0.553 1.00 0.00 C ATOM 1301 ND1 HIS A 83 15.137 5.607 -1.595 1.00 0.00 N ATOM 1302 CD2 HIS A 83 15.554 4.303 0.134 1.00 0.00 C ATOM 1303 CE1 HIS A 83 16.460 5.396 -1.539 1.00 0.00 C ATOM 1304 NE2 HIS A 83 16.770 4.610 -0.492 1.00 0.00 N ATOM 0 H HIS A 83 11.115 3.972 0.940 1.00 0.00 H new ATOM 0 HA HIS A 83 13.474 5.373 1.742 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.797 3.745 -0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.517 5.285 -1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.651 6.173 -2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.432 3.680 1.008 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.177 5.801 -2.238 1.00 0.00 H new ATOM 1312 N HIS A 84 13.135 7.805 1.108 1.00 0.00 N ATOM 1313 CA HIS A 84 12.837 9.240 1.122 1.00 0.00 C ATOM 1314 C HIS A 84 12.465 9.778 -0.269 1.00 0.00 C ATOM 1315 O HIS A 84 11.742 10.771 -0.375 1.00 0.00 O ATOM 1316 CB HIS A 84 14.044 10.012 1.678 1.00 0.00 C ATOM 1317 CG HIS A 84 14.458 9.584 3.067 1.00 0.00 C ATOM 1318 ND1 HIS A 84 13.709 9.697 4.218 1.00 0.00 N ATOM 1319 CD2 HIS A 84 15.651 9.008 3.417 1.00 0.00 C ATOM 1320 CE1 HIS A 84 14.433 9.198 5.236 1.00 0.00 C ATOM 1321 NE2 HIS A 84 15.630 8.764 4.798 1.00 0.00 N ATOM 0 H HIS A 84 14.121 7.586 1.252 1.00 0.00 H new ATOM 0 HA HIS A 84 11.969 9.387 1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.889 9.882 1.002 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.807 11.076 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 84 16.466 8.781 2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.100 9.152 6.262 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.372 8.343 5.357 1.00 0.00 H new ATOM 1329 N ARG A 85 12.972 9.147 -1.332 1.00 0.00 N ATOM 1330 CA ARG A 85 12.826 9.555 -2.731 1.00 0.00 C ATOM 1331 C ARG A 85 13.094 8.336 -3.615 1.00 0.00 C ATOM 1332 O ARG A 85 13.434 7.266 -3.099 1.00 0.00 O ATOM 1333 CB ARG A 85 13.798 10.718 -3.049 1.00 0.00 C ATOM 1334 CG ARG A 85 15.247 10.471 -2.582 1.00 0.00 C ATOM 1335 CD ARG A 85 16.253 11.454 -3.192 1.00 0.00 C ATOM 1336 NE ARG A 85 16.468 11.178 -4.621 1.00 0.00 N ATOM 1337 CZ ARG A 85 17.198 11.880 -5.491 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.852 12.972 -5.102 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.264 11.472 -6.754 1.00 0.00 N ATOM 0 H ARG A 85 13.523 8.294 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 85 11.816 9.918 -2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.799 10.893 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.426 11.628 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.289 10.545 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.538 9.454 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.890 12.474 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.201 11.385 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 85 16.003 10.350 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.798 13.280 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.407 13.501 -5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.761 10.634 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.817 11.997 -7.431 1.00 0.00 H new ATOM 1353 N PHE A 86 12.969 8.469 -4.935 1.00 0.00 N ATOM 1354 CA PHE A 86 13.622 7.539 -5.848 1.00 0.00 C ATOM 1355 C PHE A 86 15.052 8.044 -6.060 1.00 0.00 C ATOM 1356 O PHE A 86 15.232 9.259 -6.167 1.00 0.00 O ATOM 1357 CB PHE A 86 12.851 7.452 -7.171 1.00 0.00 C ATOM 1358 CG PHE A 86 13.177 6.189 -7.937 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.715 4.936 -7.494 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.964 6.265 -9.093 1.00 0.00 C ATOM 1361 CE1 PHE A 86 13.083 3.765 -8.177 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.323 5.098 -9.788 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.891 3.846 -9.321 1.00 0.00 C ATOM 0 H PHE A 86 12.427 9.204 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 86 13.641 6.531 -5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.780 7.487 -6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.088 8.320 -7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.075 4.874 -6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.297 7.227 -9.453 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.744 2.803 -7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.930 5.164 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.181 2.946 -9.842 1.00 0.00 H new ATOM 1373 N SER A 87 16.051 7.163 -6.131 1.00 0.00 N ATOM 1374 CA SER A 87 17.466 7.544 -6.166 1.00 0.00 C ATOM 1375 C SER A 87 18.226 6.797 -7.266 1.00 0.00 C ATOM 1376 O SER A 87 17.758 5.769 -7.764 1.00 0.00 O ATOM 1377 CB SER A 87 18.095 7.275 -4.794 1.00 0.00 C ATOM 1378 OG SER A 87 17.395 7.980 -3.784 1.00 0.00 O ATOM 0 H SER A 87 15.900 6.155 -6.166 1.00 0.00 H new ATOM 0 HA SER A 87 17.534 8.607 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.075 6.206 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.142 7.579 -4.800 1.00 0.00 H new ATOM 0 HG SER A 87 17.806 7.798 -2.913 1.00 0.00 H new ATOM 1384 N ILE A 88 19.398 7.305 -7.652 1.00 0.00 N ATOM 1385 CA ILE A 88 20.369 6.568 -8.458 1.00 0.00 C ATOM 1386 C ILE A 88 21.477 6.182 -7.475 1.00 0.00 C ATOM 1387 O ILE A 88 21.898 7.014 -6.666 1.00 0.00 O ATOM 1388 CB ILE A 88 20.926 7.390 -9.652 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.843 8.174 -10.424 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.623 6.421 -10.625 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.357 9.053 -11.570 1.00 0.00 C ATOM 0 H ILE A 88 19.701 8.249 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 88 19.905 5.701 -8.929 1.00 0.00 H new ATOM 0 HB ILE A 88 21.615 8.128 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.123 7.463 -10.829 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.304 8.806 -9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.022 6.980 -11.472 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.438 5.912 -10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.904 5.684 -10.983 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.517 9.559 -12.045 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.052 9.795 -11.176 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.869 8.431 -12.304 1.00 0.00 H new ATOM 1403 N VAL A 89 21.927 4.931 -7.519 1.00 0.00 N ATOM 1404 CA VAL A 89 22.888 4.367 -6.577 1.00 0.00 C ATOM 1405 C VAL A 89 23.963 3.643 -7.401 1.00 0.00 C ATOM 1406 O VAL A 89 23.701 3.204 -8.524 1.00 0.00 O ATOM 1407 CB VAL A 89 22.129 3.470 -5.563 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.053 2.831 -4.516 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.039 4.256 -4.809 1.00 0.00 C ATOM 0 H VAL A 89 21.625 4.264 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 89 23.397 5.120 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 89 21.680 2.683 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.463 2.216 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.795 2.209 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.558 3.614 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.531 3.593 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.497 5.079 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.317 4.652 -5.523 1.00 0.00 H new