USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 26 THR OG1 : rot -91:sc= -0.439 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= -0.0292 USER MOD Set 3.1: A 9 GLN : amide:sc= 0.0358 K(o=0.04,f=-1) USER MOD Set 3.2: A 31 LYS NZ :NH3+ -150:sc= 0.00395 (180deg=0) USER MOD Single : A 11 SER OG : rot 92:sc= -5.03! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 43 ASN : amide:sc= -2.09 K(o=-2.1,f=-5!) USER MOD Single : A 45 TYR OH : rot -97:sc= 0.244 USER MOD Single : A 62 THR OG1 : rot 124:sc= 0.223 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0.031 (180deg=-0.394) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= -0.0877 (180deg=-0.561) USER MOD Single : A 67 LYS NZ :NH3+ -114:sc= -0.118 (180deg=-0.963) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.2) USER MOD Single : A 75 GLN : amide:sc=-0.00327 X(o=-0.0033,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.39 F(o=-1.2,f=-0.39) USER MOD Single : A 91 MET CE :methyl -156:sc= -7.49! (180deg=-9.06!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc=-0.00181 X(o=-0.0018,f=-0.084) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.154 -12.582 -1.210 1.00 0.00 N ATOM 67 CA GLY A 8 0.132 -13.210 -0.390 1.00 0.00 C ATOM 68 C GLY A 8 -1.166 -12.400 -0.416 1.00 0.00 C ATOM 69 O GLY A 8 -1.849 -12.348 -1.438 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.059 -14.221 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.488 -13.300 0.636 1.00 0.00 H new ATOM 73 N GLN A 9 -1.468 -11.788 0.719 1.00 0.00 N ATOM 74 CA GLN A 9 -2.671 -10.983 0.839 1.00 0.00 C ATOM 75 C GLN A 9 -2.398 -9.743 1.692 1.00 0.00 C ATOM 76 O GLN A 9 -1.683 -9.816 2.690 1.00 0.00 O ATOM 77 CB GLN A 9 -3.824 -11.804 1.420 1.00 0.00 C ATOM 78 CG GLN A 9 -4.391 -12.769 0.376 1.00 0.00 C ATOM 79 CD GLN A 9 -5.607 -13.518 0.925 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.109 -13.236 2.001 1.00 0.00 O ATOM 81 NE2 GLN A 9 -6.050 -14.487 0.129 1.00 0.00 N ATOM 0 H GLN A 9 -0.900 -11.834 1.565 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.966 -10.656 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.475 -12.365 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.612 -11.136 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.674 -12.216 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.622 -13.483 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.583 -14.671 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.857 -15.046 0.407 1.00 0.00 H new ATOM 90 N LEU A 10 -2.981 -8.631 1.267 1.00 0.00 N ATOM 91 CA LEU A 10 -2.809 -7.377 1.980 1.00 0.00 C ATOM 92 C LEU A 10 -4.182 -6.813 2.350 1.00 0.00 C ATOM 93 O LEU A 10 -5.138 -6.945 1.587 1.00 0.00 O ATOM 94 CB LEU A 10 -1.948 -6.411 1.163 1.00 0.00 C ATOM 95 CG LEU A 10 -0.894 -5.626 1.946 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.332 -4.476 1.108 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.455 -5.139 3.284 1.00 0.00 C ATOM 0 H LEU A 10 -3.573 -8.573 0.438 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.269 -7.540 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.443 -6.978 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.607 -5.699 0.666 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.065 -6.297 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.415 -3.934 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.130 -4.876 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.140 -3.798 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.686 -4.584 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.312 -4.490 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.767 -5.996 3.881 1.00 0.00 H new ATOM 109 N SER A 11 -4.237 -6.197 3.522 1.00 0.00 N ATOM 110 CA SER A 11 -5.478 -5.613 4.003 1.00 0.00 C ATOM 111 C SER A 11 -5.359 -4.089 4.039 1.00 0.00 C ATOM 112 O SER A 11 -4.565 -3.542 4.803 1.00 0.00 O ATOM 113 CB SER A 11 -5.838 -6.150 5.390 1.00 0.00 C ATOM 114 OG SER A 11 -5.923 -7.573 5.407 1.00 0.00 O ATOM 0 H SER A 11 -3.442 -6.090 4.153 1.00 0.00 H new ATOM 0 HA SER A 11 -6.277 -5.893 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.089 -5.823 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.791 -5.726 5.707 1.00 0.00 H new ATOM 0 HG SER A 11 -5.053 -7.950 5.656 1.00 0.00 H new ATOM 120 N ILE A 12 -6.160 -3.445 3.202 1.00 0.00 N ATOM 121 CA ILE A 12 -6.155 -1.994 3.128 1.00 0.00 C ATOM 122 C ILE A 12 -7.578 -1.472 3.337 1.00 0.00 C ATOM 123 O ILE A 12 -8.510 -1.915 2.667 1.00 0.00 O ATOM 124 CB ILE A 12 -5.514 -1.526 1.820 1.00 0.00 C ATOM 125 CG1 ILE A 12 -4.036 -1.921 1.762 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.714 -0.023 1.617 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.698 -2.584 0.425 1.00 0.00 C ATOM 0 H ILE A 12 -6.817 -3.902 2.569 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.541 -1.574 3.925 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.015 -2.031 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.414 -1.037 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.806 -2.604 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.249 0.283 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.780 0.201 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.256 0.520 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.642 -2.855 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.305 -3.481 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.906 -1.889 -0.389 1.00 0.00 H new ATOM 139 N LYS A 13 -7.700 -0.537 4.267 1.00 0.00 N ATOM 140 CA LYS A 13 -8.994 0.051 4.572 1.00 0.00 C ATOM 141 C LYS A 13 -9.064 1.458 3.975 1.00 0.00 C ATOM 142 O LYS A 13 -8.322 2.348 4.388 1.00 0.00 O ATOM 143 CB LYS A 13 -9.260 0.007 6.078 1.00 0.00 C ATOM 144 CG LYS A 13 -10.612 -0.644 6.378 1.00 0.00 C ATOM 145 CD LYS A 13 -11.000 -0.452 7.845 1.00 0.00 C ATOM 146 CE LYS A 13 -9.887 -0.937 8.775 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.336 -0.900 10.185 1.00 0.00 N ATOM 0 H LYS A 13 -6.924 -0.172 4.820 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.794 -0.530 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.466 -0.550 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.242 1.018 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.379 -0.211 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.566 -1.708 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.205 0.601 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.919 -0.999 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.597 -1.953 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.004 -0.310 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.568 -1.232 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.590 0.075 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.165 -1.516 10.301 1.00 0.00 H new ATOM 161 N LEU A 14 -9.962 1.614 3.014 1.00 0.00 N ATOM 162 CA LEU A 14 -10.138 2.898 2.356 1.00 0.00 C ATOM 163 C LEU A 14 -11.462 3.519 2.806 1.00 0.00 C ATOM 164 O LEU A 14 -12.391 2.805 3.181 1.00 0.00 O ATOM 165 CB LEU A 14 -10.015 2.744 0.839 1.00 0.00 C ATOM 166 CG LEU A 14 -8.753 2.041 0.336 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.932 1.555 -1.103 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.526 2.943 0.488 1.00 0.00 C ATOM 0 H LEU A 14 -10.576 0.873 2.675 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.346 3.588 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.883 2.192 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.059 3.736 0.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.584 1.159 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.020 1.059 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.764 0.853 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.139 2.406 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.642 2.420 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.672 3.856 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.389 3.197 1.539 1.00 0.00 H new ATOM 180 N TRP A 15 -11.506 4.842 2.755 1.00 0.00 N ATOM 181 CA TRP A 15 -12.700 5.567 3.152 1.00 0.00 C ATOM 182 C TRP A 15 -12.657 6.947 2.493 1.00 0.00 C ATOM 183 O TRP A 15 -11.581 7.473 2.215 1.00 0.00 O ATOM 184 CB TRP A 15 -12.818 5.636 4.676 1.00 0.00 C ATOM 185 CG TRP A 15 -13.804 6.694 5.177 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.541 7.951 5.560 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.230 6.535 5.334 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.688 8.611 5.951 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.748 7.722 5.809 1.00 0.00 C ATOM 190 CE3 TRP A 15 -16.054 5.424 5.083 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.109 7.913 6.074 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.412 5.631 5.353 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.950 6.820 5.831 1.00 0.00 C ATOM 0 H TRP A 15 -10.733 5.431 2.444 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.597 5.048 2.814 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.127 4.660 5.051 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.834 5.843 5.097 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.555 8.392 5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.747 9.574 6.283 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.670 4.485 4.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.490 8.853 6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.090 4.809 5.177 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.011 6.901 6.014 1.00 0.00 H new ATOM 204 N PHE A 16 -13.842 7.494 2.261 1.00 0.00 N ATOM 205 CA PHE A 16 -13.953 8.803 1.639 1.00 0.00 C ATOM 206 C PHE A 16 -14.702 9.780 2.548 1.00 0.00 C ATOM 207 O PHE A 16 -15.859 9.548 2.895 1.00 0.00 O ATOM 208 CB PHE A 16 -14.747 8.617 0.345 1.00 0.00 C ATOM 209 CG PHE A 16 -14.975 9.913 -0.436 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.918 10.702 -0.767 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.235 10.275 -0.800 1.00 0.00 C ATOM 212 CE1 PHE A 16 -14.130 11.905 -1.492 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.446 11.477 -1.525 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.389 12.267 -1.856 1.00 0.00 C ATOM 0 H PHE A 16 -14.733 7.055 2.493 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.960 9.212 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.221 7.908 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.714 8.174 0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.918 10.414 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.074 9.648 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.291 12.532 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.446 11.765 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.550 13.181 -2.408 1.00 0.00 H new ATOM 224 N ASP A 17 -14.011 10.852 2.907 1.00 0.00 N ATOM 225 CA ASP A 17 -14.596 11.865 3.769 1.00 0.00 C ATOM 226 C ASP A 17 -15.171 12.991 2.907 1.00 0.00 C ATOM 227 O ASP A 17 -14.468 13.945 2.577 1.00 0.00 O ATOM 228 CB ASP A 17 -13.544 12.471 4.699 1.00 0.00 C ATOM 229 CG ASP A 17 -14.043 13.622 5.577 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.651 13.314 6.624 1.00 0.00 O ATOM 231 OD2 ASP A 17 -13.804 14.783 5.180 1.00 0.00 O ATOM 0 H ASP A 17 -13.052 11.041 2.617 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.375 11.391 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.155 11.684 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.710 12.829 4.095 1.00 0.00 H new ATOM 236 N LYS A 18 -16.443 12.843 2.568 1.00 0.00 N ATOM 237 CA LYS A 18 -17.120 13.836 1.751 1.00 0.00 C ATOM 238 C LYS A 18 -17.209 15.153 2.525 1.00 0.00 C ATOM 239 O LYS A 18 -17.398 16.214 1.933 1.00 0.00 O ATOM 240 CB LYS A 18 -18.476 13.307 1.279 1.00 0.00 C ATOM 241 CG LYS A 18 -19.432 13.120 2.459 1.00 0.00 C ATOM 242 CD LYS A 18 -19.751 11.639 2.677 1.00 0.00 C ATOM 243 CE LYS A 18 -20.512 11.429 3.987 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.531 9.994 4.351 1.00 0.00 N ATOM 0 H LYS A 18 -17.023 12.051 2.844 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.549 14.037 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.911 14.001 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.340 12.357 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.986 13.536 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.354 13.671 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.345 11.265 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.826 11.063 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.043 12.006 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.533 11.798 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.051 9.869 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.999 9.451 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.556 9.653 4.469 1.00 0.00 H new ATOM 258 N VAL A 19 -17.068 15.041 3.838 1.00 0.00 N ATOM 259 CA VAL A 19 -17.130 16.209 4.699 1.00 0.00 C ATOM 260 C VAL A 19 -16.108 17.244 4.222 1.00 0.00 C ATOM 261 O VAL A 19 -16.480 18.284 3.681 1.00 0.00 O ATOM 262 CB VAL A 19 -16.925 15.795 6.158 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.910 17.018 7.078 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.992 14.791 6.598 1.00 0.00 C ATOM 0 H VAL A 19 -16.911 14.159 4.326 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.114 16.674 4.642 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.954 15.306 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.763 16.696 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.097 17.683 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.859 17.547 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.823 14.513 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.979 15.242 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.935 13.901 5.971 1.00 0.00 H new ATOM 274 N GLY A 20 -14.842 16.922 4.440 1.00 0.00 N ATOM 275 CA GLY A 20 -13.764 17.811 4.040 1.00 0.00 C ATOM 276 C GLY A 20 -13.175 17.385 2.693 1.00 0.00 C ATOM 277 O GLY A 20 -12.208 17.980 2.219 1.00 0.00 O ATOM 0 H GLY A 20 -14.538 16.058 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.137 18.833 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.983 17.807 4.800 1.00 0.00 H new ATOM 281 N HIS A 21 -13.782 16.359 2.115 1.00 0.00 N ATOM 282 CA HIS A 21 -13.330 15.847 0.833 1.00 0.00 C ATOM 283 C HIS A 21 -11.912 15.289 0.974 1.00 0.00 C ATOM 284 O HIS A 21 -11.006 15.694 0.248 1.00 0.00 O ATOM 285 CB HIS A 21 -13.438 16.922 -0.250 1.00 0.00 C ATOM 286 CG HIS A 21 -14.846 17.159 -0.741 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.474 16.325 -1.649 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.741 18.144 -0.441 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.691 16.796 -1.879 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.855 17.923 -1.129 1.00 0.00 N ATOM 0 H HIS A 21 -14.584 15.868 2.511 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.976 15.028 0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.038 17.858 0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.813 16.636 -1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.572 18.965 0.241 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.424 16.363 -2.544 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.695 18.501 -1.101 1.00 0.00 H new ATOM 298 N GLN A 22 -11.764 14.368 1.915 1.00 0.00 N ATOM 299 CA GLN A 22 -10.472 13.750 2.161 1.00 0.00 C ATOM 300 C GLN A 22 -10.555 12.239 1.936 1.00 0.00 C ATOM 301 O GLN A 22 -11.499 11.592 2.386 1.00 0.00 O ATOM 302 CB GLN A 22 -9.973 14.068 3.572 1.00 0.00 C ATOM 303 CG GLN A 22 -10.709 15.275 4.156 1.00 0.00 C ATOM 304 CD GLN A 22 -10.330 15.492 5.622 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.866 16.548 6.021 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.551 14.437 6.400 1.00 0.00 N ATOM 0 H GLN A 22 -12.518 14.035 2.516 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.752 14.163 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.119 13.202 4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.902 14.269 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.467 16.167 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.785 15.124 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.942 13.583 6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.330 14.482 7.395 1.00 0.00 H new ATOM 315 N LEU A 23 -9.554 11.721 1.239 1.00 0.00 N ATOM 316 CA LEU A 23 -9.502 10.299 0.948 1.00 0.00 C ATOM 317 C LEU A 23 -8.761 9.579 2.077 1.00 0.00 C ATOM 318 O LEU A 23 -7.590 9.857 2.332 1.00 0.00 O ATOM 319 CB LEU A 23 -8.897 10.057 -0.436 1.00 0.00 C ATOM 320 CG LEU A 23 -8.659 8.594 -0.818 1.00 0.00 C ATOM 321 CD1 LEU A 23 -9.977 7.894 -1.155 1.00 0.00 C ATOM 322 CD2 LEU A 23 -7.644 8.483 -1.956 1.00 0.00 C ATOM 0 H LEU A 23 -8.773 12.261 0.867 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.508 9.881 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.555 10.504 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.946 10.586 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.233 8.081 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.780 6.856 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.638 7.926 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.454 8.401 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.493 7.433 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.018 9.016 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.696 8.921 -1.642 1.00 0.00 H new ATOM 334 N ILE A 24 -9.474 8.668 2.723 1.00 0.00 N ATOM 335 CA ILE A 24 -8.898 7.906 3.819 1.00 0.00 C ATOM 336 C ILE A 24 -8.376 6.570 3.286 1.00 0.00 C ATOM 337 O ILE A 24 -8.956 5.995 2.367 1.00 0.00 O ATOM 338 CB ILE A 24 -9.908 7.761 4.959 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.026 9.062 5.756 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.558 6.570 5.853 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.298 10.249 4.830 1.00 0.00 C ATOM 0 H ILE A 24 -10.445 8.440 2.509 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.045 8.435 4.245 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.887 7.560 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.831 8.974 6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.106 9.235 6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.291 6.489 6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.566 5.655 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.566 6.716 6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.378 11.161 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.480 10.349 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.231 10.084 4.291 1.00 0.00 H new ATOM 353 N VAL A 25 -7.286 6.116 3.887 1.00 0.00 N ATOM 354 CA VAL A 25 -6.679 4.859 3.484 1.00 0.00 C ATOM 355 C VAL A 25 -5.777 4.350 4.610 1.00 0.00 C ATOM 356 O VAL A 25 -4.632 4.781 4.737 1.00 0.00 O ATOM 357 CB VAL A 25 -5.937 5.037 2.158 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.237 6.396 2.099 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.941 3.897 1.930 1.00 0.00 C ATOM 0 H VAL A 25 -6.808 6.596 4.650 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.445 4.102 3.313 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.674 5.005 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.717 6.497 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.977 7.191 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.517 6.470 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.427 4.047 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.211 3.884 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.475 2.947 1.907 1.00 0.00 H new ATOM 369 N THR A 26 -6.327 3.439 5.400 1.00 0.00 N ATOM 370 CA THR A 26 -5.586 2.866 6.511 1.00 0.00 C ATOM 371 C THR A 26 -4.943 1.541 6.097 1.00 0.00 C ATOM 372 O THR A 26 -5.625 0.643 5.606 1.00 0.00 O ATOM 373 CB THR A 26 -6.543 2.733 7.698 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.374 3.951 8.419 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.102 1.651 8.686 1.00 0.00 C ATOM 0 H THR A 26 -7.277 3.084 5.293 1.00 0.00 H new ATOM 0 HA THR A 26 -4.760 3.511 6.811 1.00 0.00 H new ATOM 0 HB THR A 26 -7.545 2.506 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.668 3.839 9.090 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.815 1.597 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.062 0.688 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.114 1.896 9.077 1.00 0.00 H new ATOM 383 N ILE A 27 -3.638 1.462 6.311 1.00 0.00 N ATOM 384 CA ILE A 27 -2.895 0.262 5.966 1.00 0.00 C ATOM 385 C ILE A 27 -2.928 -0.711 7.147 1.00 0.00 C ATOM 386 O ILE A 27 -2.094 -0.628 8.047 1.00 0.00 O ATOM 387 CB ILE A 27 -1.481 0.621 5.504 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.517 1.445 4.216 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.617 -0.633 5.359 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.249 0.691 3.103 1.00 0.00 C ATOM 0 H ILE A 27 -3.076 2.209 6.719 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.362 -0.245 5.122 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.019 1.243 6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.014 2.397 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.500 1.673 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.383 -0.350 5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.552 -1.143 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.066 -1.301 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.260 1.299 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.736 -0.249 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.273 0.486 3.415 1.00 0.00 H new ATOM 402 N LEU A 28 -3.900 -1.610 7.105 1.00 0.00 N ATOM 403 CA LEU A 28 -4.053 -2.596 8.160 1.00 0.00 C ATOM 404 C LEU A 28 -2.750 -3.385 8.308 1.00 0.00 C ATOM 405 O LEU A 28 -1.803 -2.914 8.934 1.00 0.00 O ATOM 406 CB LEU A 28 -5.278 -3.475 7.899 1.00 0.00 C ATOM 407 CG LEU A 28 -6.632 -2.762 7.919 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.662 -3.518 7.078 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.114 -2.542 9.355 1.00 0.00 C ATOM 0 H LEU A 28 -4.590 -1.676 6.356 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.239 -2.105 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.156 -3.954 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.297 -4.269 8.646 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.507 -1.778 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.615 -2.990 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.315 -3.580 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.791 -4.524 7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.078 -2.034 9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.218 -3.505 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.389 -1.931 9.892 1.00 0.00 H new ATOM 421 N GLY A 29 -2.745 -4.573 7.720 1.00 0.00 N ATOM 422 CA GLY A 29 -1.575 -5.431 7.778 1.00 0.00 C ATOM 423 C GLY A 29 -1.602 -6.473 6.657 1.00 0.00 C ATOM 424 O GLY A 29 -2.609 -6.620 5.966 1.00 0.00 O ATOM 0 H GLY A 29 -3.533 -4.961 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.672 -4.826 7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.535 -5.933 8.745 1.00 0.00 H new ATOM 428 N ALA A 30 -0.484 -7.168 6.511 1.00 0.00 N ATOM 429 CA ALA A 30 -0.368 -8.192 5.486 1.00 0.00 C ATOM 430 C ALA A 30 -0.288 -9.567 6.152 1.00 0.00 C ATOM 431 O ALA A 30 0.002 -9.668 7.343 1.00 0.00 O ATOM 432 CB ALA A 30 0.850 -7.898 4.607 1.00 0.00 C ATOM 0 H ALA A 30 0.350 -7.043 7.085 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.245 -8.190 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.938 -8.666 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.731 -6.923 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.750 -7.896 5.222 1.00 0.00 H new ATOM 438 N LYS A 31 -0.551 -10.591 5.354 1.00 0.00 N ATOM 439 CA LYS A 31 -0.513 -11.956 5.850 1.00 0.00 C ATOM 440 C LYS A 31 0.016 -12.880 4.751 1.00 0.00 C ATOM 441 O LYS A 31 -0.057 -12.548 3.568 1.00 0.00 O ATOM 442 CB LYS A 31 -1.883 -12.368 6.393 1.00 0.00 C ATOM 443 CG LYS A 31 -2.945 -12.322 5.292 1.00 0.00 C ATOM 444 CD LYS A 31 -3.294 -13.730 4.809 1.00 0.00 C ATOM 445 CE LYS A 31 -4.367 -14.364 5.697 1.00 0.00 C ATOM 446 NZ LYS A 31 -5.558 -14.724 4.895 1.00 0.00 N ATOM 0 H LYS A 31 -0.791 -10.503 4.367 1.00 0.00 H new ATOM 0 HA LYS A 31 0.175 -12.035 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.826 -13.375 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.170 -11.704 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.842 -11.830 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.581 -11.726 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.648 -13.688 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.399 -14.352 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.966 -15.254 6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.650 -13.669 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.409 -14.663 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.649 -14.067 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.455 -15.695 4.537 1.00 0.00 H new ATOM 460 N ASP A 32 0.537 -14.020 5.180 1.00 0.00 N ATOM 461 CA ASP A 32 1.077 -14.994 4.247 1.00 0.00 C ATOM 462 C ASP A 32 2.202 -14.347 3.436 1.00 0.00 C ATOM 463 O ASP A 32 2.030 -14.050 2.255 1.00 0.00 O ATOM 464 CB ASP A 32 0.004 -15.473 3.267 1.00 0.00 C ATOM 465 CG ASP A 32 -0.797 -16.691 3.730 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.258 -16.659 4.891 1.00 0.00 O ATOM 467 OD2 ASP A 32 -0.929 -17.627 2.913 1.00 0.00 O ATOM 0 H ASP A 32 0.597 -14.291 6.162 1.00 0.00 H new ATOM 0 HA ASP A 32 1.445 -15.844 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.688 -14.652 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.482 -15.711 2.317 1.00 0.00 H new ATOM 472 N LEU A 33 3.330 -14.148 4.103 1.00 0.00 N ATOM 473 CA LEU A 33 4.483 -13.542 3.459 1.00 0.00 C ATOM 474 C LEU A 33 5.584 -14.593 3.301 1.00 0.00 C ATOM 475 O LEU A 33 5.618 -15.578 4.037 1.00 0.00 O ATOM 476 CB LEU A 33 4.930 -12.295 4.225 1.00 0.00 C ATOM 477 CG LEU A 33 4.291 -10.975 3.786 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.892 -11.206 3.213 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.281 -9.963 4.934 1.00 0.00 C ATOM 0 H LEU A 33 3.470 -14.396 5.083 1.00 0.00 H new ATOM 0 HA LEU A 33 4.223 -13.198 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.715 -12.446 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.012 -12.202 4.129 1.00 0.00 H new ATOM 0 HG LEU A 33 4.899 -10.550 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.461 -10.252 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.957 -11.866 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.259 -11.664 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.822 -9.034 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.710 -10.367 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.304 -9.766 5.255 1.00 0.00 H new ATOM 612 N ARG A 42 11.630 -11.569 6.931 1.00 0.00 N ATOM 613 CA ARG A 42 12.161 -10.345 6.355 1.00 0.00 C ATOM 614 C ARG A 42 11.487 -9.126 6.987 1.00 0.00 C ATOM 615 O ARG A 42 10.705 -9.262 7.927 1.00 0.00 O ATOM 616 CB ARG A 42 11.946 -10.310 4.841 1.00 0.00 C ATOM 617 CG ARG A 42 10.568 -10.864 4.470 1.00 0.00 C ATOM 618 CD ARG A 42 10.334 -10.785 2.960 1.00 0.00 C ATOM 619 NE ARG A 42 10.677 -12.078 2.326 1.00 0.00 N ATOM 620 CZ ARG A 42 11.015 -12.217 1.037 1.00 0.00 C ATOM 621 NH1 ARG A 42 11.057 -11.144 0.236 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.310 -13.430 0.549 1.00 0.00 N ATOM 0 HA ARG A 42 13.231 -10.320 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.039 -9.286 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.722 -10.894 4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.487 -11.900 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.793 -10.302 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.292 -10.536 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.941 -9.988 2.531 1.00 0.00 H new ATOM 0 HE ARG A 42 10.655 -12.916 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.832 -10.221 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.314 -11.250 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.277 -14.247 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.567 -13.536 -0.432 1.00 0.00 H new ATOM 636 N ASN A 43 11.816 -7.962 6.447 1.00 0.00 N ATOM 637 CA ASN A 43 11.252 -6.719 6.946 1.00 0.00 C ATOM 638 C ASN A 43 10.330 -6.119 5.884 1.00 0.00 C ATOM 639 O ASN A 43 10.787 -5.411 4.988 1.00 0.00 O ATOM 640 CB ASN A 43 12.351 -5.698 7.249 1.00 0.00 C ATOM 641 CG ASN A 43 13.570 -6.375 7.879 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.481 -7.429 8.488 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.710 -5.713 7.700 1.00 0.00 N ATOM 0 H ASN A 43 12.466 -7.853 5.669 1.00 0.00 H new ATOM 0 HA ASN A 43 10.704 -6.942 7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.646 -5.192 6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.966 -4.933 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.580 -6.083 8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.714 -4.836 7.180 1.00 0.00 H new ATOM 650 N PRO A 44 9.013 -6.432 6.022 1.00 0.00 N ATOM 651 CA PRO A 44 8.022 -5.932 5.085 1.00 0.00 C ATOM 652 C PRO A 44 7.731 -4.451 5.333 1.00 0.00 C ATOM 653 O PRO A 44 8.089 -3.911 6.379 1.00 0.00 O ATOM 654 CB PRO A 44 6.805 -6.819 5.289 1.00 0.00 C ATOM 655 CG PRO A 44 6.992 -7.477 6.647 1.00 0.00 C ATOM 656 CD PRO A 44 8.436 -7.268 7.071 1.00 0.00 C ATOM 0 HA PRO A 44 8.361 -5.976 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.886 -6.234 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.730 -7.567 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.312 -7.041 7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.761 -8.541 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.496 -6.780 8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.965 -8.217 7.157 1.00 0.00 H new ATOM 664 N TYR A 45 7.085 -3.835 4.354 1.00 0.00 N ATOM 665 CA TYR A 45 6.742 -2.427 4.453 1.00 0.00 C ATOM 666 C TYR A 45 5.949 -1.968 3.228 1.00 0.00 C ATOM 667 O TYR A 45 6.398 -2.133 2.095 1.00 0.00 O ATOM 668 CB TYR A 45 8.072 -1.671 4.497 1.00 0.00 C ATOM 669 CG TYR A 45 8.640 -1.332 3.118 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.117 -0.278 2.396 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.676 -2.079 2.596 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.653 0.042 1.098 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.211 -1.760 1.297 1.00 0.00 C ATOM 674 CZ TYR A 45 9.673 -0.715 0.613 1.00 0.00 C ATOM 675 OH TYR A 45 10.179 -0.414 -0.613 1.00 0.00 O ATOM 0 H TYR A 45 6.790 -4.286 3.488 1.00 0.00 H new ATOM 0 HA TYR A 45 6.127 -2.243 5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.935 -0.747 5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.801 -2.271 5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.306 0.307 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.086 -2.903 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.254 0.864 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.021 -2.338 0.876 1.00 0.00 H new ATOM 0 HH TYR A 45 9.763 -0.989 -1.289 1.00 0.00 H new ATOM 685 N VAL A 46 4.782 -1.401 3.497 1.00 0.00 N ATOM 686 CA VAL A 46 3.922 -0.917 2.431 1.00 0.00 C ATOM 687 C VAL A 46 4.364 0.490 2.023 1.00 0.00 C ATOM 688 O VAL A 46 5.022 1.186 2.795 1.00 0.00 O ATOM 689 CB VAL A 46 2.457 -0.980 2.870 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.518 -0.791 1.677 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.160 -2.291 3.601 1.00 0.00 C ATOM 0 H VAL A 46 4.412 -1.266 4.438 1.00 0.00 H new ATOM 0 HA VAL A 46 4.011 -1.554 1.551 1.00 0.00 H new ATOM 0 HB VAL A 46 2.280 -0.161 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.484 -0.840 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.703 0.180 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.697 -1.578 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.113 -2.310 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.362 -3.132 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.793 -2.366 4.485 1.00 0.00 H new ATOM 701 N LYS A 47 3.984 0.867 0.811 1.00 0.00 N ATOM 702 CA LYS A 47 4.333 2.179 0.292 1.00 0.00 C ATOM 703 C LYS A 47 3.231 2.656 -0.657 1.00 0.00 C ATOM 704 O LYS A 47 3.092 2.138 -1.763 1.00 0.00 O ATOM 705 CB LYS A 47 5.723 2.150 -0.346 1.00 0.00 C ATOM 706 CG LYS A 47 6.319 3.557 -0.426 1.00 0.00 C ATOM 707 CD LYS A 47 6.785 3.874 -1.849 1.00 0.00 C ATOM 708 CE LYS A 47 8.006 3.033 -2.225 1.00 0.00 C ATOM 709 NZ LYS A 47 9.224 3.873 -2.259 1.00 0.00 N ATOM 0 H LYS A 47 3.438 0.287 0.174 1.00 0.00 H new ATOM 0 HA LYS A 47 4.394 2.906 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.381 1.505 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.659 1.721 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.576 4.289 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.160 3.640 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.975 3.681 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.030 4.933 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.134 2.225 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.850 2.569 -3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.043 3.286 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.105 4.629 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.381 4.295 -1.322 1.00 0.00 H new ATOM 723 N ILE A 48 2.477 3.640 -0.189 1.00 0.00 N ATOM 724 CA ILE A 48 1.392 4.193 -0.982 1.00 0.00 C ATOM 725 C ILE A 48 1.913 5.384 -1.789 1.00 0.00 C ATOM 726 O ILE A 48 2.941 5.968 -1.448 1.00 0.00 O ATOM 727 CB ILE A 48 0.195 4.530 -0.091 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.104 3.387 0.882 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.027 4.901 -0.932 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.220 3.904 2.317 1.00 0.00 C ATOM 0 H ILE A 48 2.596 4.068 0.729 1.00 0.00 H new ATOM 0 HA ILE A 48 1.029 3.456 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 48 0.451 5.404 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.032 2.893 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.687 2.639 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.864 5.136 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.795 5.770 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.295 4.062 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.433 3.071 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.718 4.376 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.028 4.633 2.377 1.00 0.00 H new ATOM 742 N TYR A 49 1.179 5.710 -2.843 1.00 0.00 N ATOM 743 CA TYR A 49 1.554 6.821 -3.701 1.00 0.00 C ATOM 744 C TYR A 49 0.329 7.402 -4.411 1.00 0.00 C ATOM 745 O TYR A 49 -0.117 6.866 -5.425 1.00 0.00 O ATOM 746 CB TYR A 49 2.508 6.242 -4.748 1.00 0.00 C ATOM 747 CG TYR A 49 3.988 6.473 -4.435 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.449 7.749 -4.184 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.862 5.405 -4.405 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.842 7.967 -3.890 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.255 5.623 -4.110 1.00 0.00 C ATOM 752 CZ TYR A 49 6.676 6.893 -3.867 1.00 0.00 C ATOM 753 OH TYR A 49 7.991 7.098 -3.590 1.00 0.00 O ATOM 0 H TYR A 49 0.327 5.224 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 49 2.010 7.621 -3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.328 5.170 -4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.279 6.684 -5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.765 8.585 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.502 4.406 -4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.216 8.961 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.949 4.796 -4.082 1.00 0.00 H new ATOM 0 HH TYR A 49 8.084 7.876 -3.001 1.00 0.00 H new ATOM 763 N PHE A 50 -0.178 8.490 -3.852 1.00 0.00 N ATOM 764 CA PHE A 50 -1.342 9.150 -4.419 1.00 0.00 C ATOM 765 C PHE A 50 -1.005 9.797 -5.763 1.00 0.00 C ATOM 766 O PHE A 50 -0.606 10.960 -5.814 1.00 0.00 O ATOM 767 CB PHE A 50 -1.763 10.241 -3.432 1.00 0.00 C ATOM 768 CG PHE A 50 -3.111 10.887 -3.756 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.254 10.154 -3.671 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.168 12.193 -4.129 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.506 10.753 -3.972 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.420 12.792 -4.429 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.562 12.059 -4.344 1.00 0.00 C ATOM 0 H PHE A 50 0.196 8.932 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.137 8.423 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.808 9.813 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.996 11.015 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.209 9.116 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.261 12.775 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.413 10.171 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.465 13.830 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.514 12.515 -4.572 1.00 0.00 H new ATOM 783 N LEU A 51 -1.176 9.016 -6.820 1.00 0.00 N ATOM 784 CA LEU A 51 -0.895 9.499 -8.161 1.00 0.00 C ATOM 785 C LEU A 51 -1.708 10.768 -8.423 1.00 0.00 C ATOM 786 O LEU A 51 -2.736 10.993 -7.786 1.00 0.00 O ATOM 787 CB LEU A 51 -1.134 8.392 -9.190 1.00 0.00 C ATOM 788 CG LEU A 51 0.000 7.380 -9.363 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.092 7.596 -8.313 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.536 5.947 -9.345 1.00 0.00 C ATOM 0 H LEU A 51 -1.506 8.052 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 51 0.157 9.769 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.037 7.851 -8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.329 8.857 -10.156 1.00 0.00 H new ATOM 0 HG LEU A 51 0.455 7.541 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.886 6.864 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.502 8.601 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.667 7.477 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.291 5.248 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.032 5.756 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.249 5.815 -10.159 1.00 0.00 H new ATOM 933 N ARG A 60 2.535 8.353 1.412 1.00 0.00 N ATOM 934 CA ARG A 60 2.305 7.759 2.718 1.00 0.00 C ATOM 935 C ARG A 60 2.982 6.389 2.804 1.00 0.00 C ATOM 936 O ARG A 60 2.739 5.519 1.969 1.00 0.00 O ATOM 937 CB ARG A 60 0.808 7.599 2.994 1.00 0.00 C ATOM 938 CG ARG A 60 0.121 8.962 3.096 1.00 0.00 C ATOM 939 CD ARG A 60 0.667 9.764 4.278 1.00 0.00 C ATOM 940 NE ARG A 60 -0.432 10.501 4.941 1.00 0.00 N ATOM 941 CZ ARG A 60 -0.252 11.401 5.917 1.00 0.00 C ATOM 942 NH1 ARG A 60 0.985 11.683 6.349 1.00 0.00 N ATOM 943 NH2 ARG A 60 -1.309 12.021 6.461 1.00 0.00 N ATOM 0 HA ARG A 60 2.732 8.427 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.348 7.015 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.663 7.044 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.273 9.520 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.954 8.824 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.149 9.095 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.428 10.463 3.933 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.387 10.312 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.790 11.212 5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.122 12.368 7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.251 11.808 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.172 12.706 7.204 1.00 0.00 H new ATOM 957 N ARG A 61 3.817 6.241 3.822 1.00 0.00 N ATOM 958 CA ARG A 61 4.530 4.992 4.029 1.00 0.00 C ATOM 959 C ARG A 61 4.404 4.543 5.486 1.00 0.00 C ATOM 960 O ARG A 61 4.543 5.351 6.403 1.00 0.00 O ATOM 961 CB ARG A 61 6.012 5.139 3.674 1.00 0.00 C ATOM 962 CG ARG A 61 6.738 3.798 3.788 1.00 0.00 C ATOM 963 CD ARG A 61 8.001 3.783 2.925 1.00 0.00 C ATOM 964 NE ARG A 61 9.200 3.935 3.779 1.00 0.00 N ATOM 965 CZ ARG A 61 10.393 4.352 3.332 1.00 0.00 C ATOM 966 NH1 ARG A 61 10.553 4.661 2.038 1.00 0.00 N ATOM 967 NH2 ARG A 61 11.425 4.460 4.179 1.00 0.00 N ATOM 0 H ARG A 61 4.016 6.965 4.512 1.00 0.00 H new ATOM 0 HA ARG A 61 4.083 4.243 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.110 5.525 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.478 5.867 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.002 3.611 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.072 2.992 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.058 2.849 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.961 4.590 2.193 1.00 0.00 H new ATOM 0 HE ARG A 61 9.113 3.708 4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.767 4.579 1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.461 4.978 1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.303 4.225 5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.333 4.777 3.839 1.00 0.00 H new ATOM 981 N THR A 62 4.141 3.256 5.654 1.00 0.00 N ATOM 982 CA THR A 62 3.994 2.690 6.984 1.00 0.00 C ATOM 983 C THR A 62 5.362 2.325 7.563 1.00 0.00 C ATOM 984 O THR A 62 6.344 2.225 6.829 1.00 0.00 O ATOM 985 CB THR A 62 3.038 1.499 6.888 1.00 0.00 C ATOM 986 OG1 THR A 62 3.663 0.626 5.951 1.00 0.00 O ATOM 987 CG2 THR A 62 1.709 1.866 6.226 1.00 0.00 C ATOM 0 H THR A 62 4.026 2.589 4.891 1.00 0.00 H new ATOM 0 HA THR A 62 3.566 3.415 7.677 1.00 0.00 H new ATOM 0 HB THR A 62 2.849 1.105 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.795 -0.254 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.068 0.985 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.216 2.645 6.807 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.894 2.229 5.215 1.00 0.00 H new ATOM 995 N LYS A 63 5.384 2.137 8.874 1.00 0.00 N ATOM 996 CA LYS A 63 6.615 1.786 9.560 1.00 0.00 C ATOM 997 C LYS A 63 7.154 0.472 8.991 1.00 0.00 C ATOM 998 O LYS A 63 6.383 -0.426 8.656 1.00 0.00 O ATOM 999 CB LYS A 63 6.396 1.757 11.074 1.00 0.00 C ATOM 1000 CG LYS A 63 5.116 0.997 11.428 1.00 0.00 C ATOM 1001 CD LYS A 63 5.194 0.420 12.843 1.00 0.00 C ATOM 1002 CE LYS A 63 4.307 -0.819 12.980 1.00 0.00 C ATOM 1003 NZ LYS A 63 2.892 -0.426 13.160 1.00 0.00 N ATOM 0 H LYS A 63 4.568 2.221 9.480 1.00 0.00 H new ATOM 0 HA LYS A 63 7.377 2.546 9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.250 1.285 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.336 2.776 11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.259 1.666 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.957 0.191 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.226 0.160 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.884 1.175 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.407 -1.445 12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.636 -1.417 13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.282 -1.258 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.757 -0.042 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.641 0.299 12.458 1.00 0.00 H new ATOM 1017 N THR A 64 8.474 0.401 8.900 1.00 0.00 N ATOM 1018 CA THR A 64 9.125 -0.788 8.377 1.00 0.00 C ATOM 1019 C THR A 64 9.208 -1.869 9.457 1.00 0.00 C ATOM 1020 O THR A 64 9.962 -1.735 10.419 1.00 0.00 O ATOM 1021 CB THR A 64 10.491 -0.376 7.825 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.184 0.299 6.608 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.331 -1.576 7.384 1.00 0.00 C ATOM 0 H THR A 64 9.110 1.148 9.180 1.00 0.00 H new ATOM 0 HA THR A 64 8.549 -1.228 7.563 1.00 0.00 H new ATOM 0 HB THR A 64 11.034 0.187 8.584 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.014 0.602 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.290 -1.228 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.499 -2.235 8.236 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.804 -2.121 6.601 1.00 0.00 H new ATOM 1031 N VAL A 65 8.421 -2.917 9.261 1.00 0.00 N ATOM 1032 CA VAL A 65 8.395 -4.021 10.206 1.00 0.00 C ATOM 1033 C VAL A 65 9.600 -4.930 9.955 1.00 0.00 C ATOM 1034 O VAL A 65 9.980 -5.159 8.808 1.00 0.00 O ATOM 1035 CB VAL A 65 7.059 -4.760 10.112 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.673 -5.370 11.461 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.956 -3.834 9.593 1.00 0.00 C ATOM 0 H VAL A 65 7.797 -3.025 8.462 1.00 0.00 H new ATOM 0 HA VAL A 65 8.474 -3.650 11.228 1.00 0.00 H new ATOM 0 HB VAL A 65 7.177 -5.575 9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.719 -5.889 11.366 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.442 -6.077 11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.583 -4.579 12.205 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.017 -4.384 9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.841 -2.989 10.272 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.224 -3.469 8.602 1.00 0.00 H new ATOM 1047 N LYS A 66 10.167 -5.422 11.046 1.00 0.00 N ATOM 1048 CA LYS A 66 11.321 -6.301 10.959 1.00 0.00 C ATOM 1049 C LYS A 66 10.930 -7.698 11.445 1.00 0.00 C ATOM 1050 O LYS A 66 10.279 -7.840 12.478 1.00 0.00 O ATOM 1051 CB LYS A 66 12.511 -5.699 11.709 1.00 0.00 C ATOM 1052 CG LYS A 66 12.852 -4.308 11.171 1.00 0.00 C ATOM 1053 CD LYS A 66 14.261 -4.281 10.575 1.00 0.00 C ATOM 1054 CE LYS A 66 15.003 -3.006 10.980 1.00 0.00 C ATOM 1055 NZ LYS A 66 15.224 -2.979 12.444 1.00 0.00 N ATOM 0 H LYS A 66 9.849 -5.229 11.996 1.00 0.00 H new ATOM 0 HA LYS A 66 11.645 -6.403 9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.280 -5.635 12.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.377 -6.354 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.126 -4.020 10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.779 -3.575 11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.819 -5.154 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.201 -4.342 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.960 -2.954 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.428 -2.131 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.087 -2.439 12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.411 -2.528 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.329 -3.952 12.797 1.00 0.00 H new ATOM 1069 N LYS A 67 11.345 -8.694 10.676 1.00 0.00 N ATOM 1070 CA LYS A 67 11.047 -10.076 11.015 1.00 0.00 C ATOM 1071 C LYS A 67 9.563 -10.201 11.365 1.00 0.00 C ATOM 1072 O LYS A 67 9.189 -10.127 12.535 1.00 0.00 O ATOM 1073 CB LYS A 67 11.983 -10.570 12.119 1.00 0.00 C ATOM 1074 CG LYS A 67 13.397 -10.795 11.580 1.00 0.00 C ATOM 1075 CD LYS A 67 14.394 -10.999 12.722 1.00 0.00 C ATOM 1076 CE LYS A 67 14.059 -12.259 13.524 1.00 0.00 C ATOM 1077 NZ LYS A 67 13.189 -11.925 14.674 1.00 0.00 N ATOM 0 H LYS A 67 11.885 -8.572 9.819 1.00 0.00 H new ATOM 0 HA LYS A 67 11.229 -10.727 10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.011 -9.842 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.598 -11.499 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.406 -11.666 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.700 -9.939 10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.403 -11.078 12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.381 -10.130 13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.560 -12.984 12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.978 -12.726 13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.704 -12.099 15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.916 -10.923 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.335 -12.518 14.647 1.00 0.00 H new ATOM 1091 N THR A 68 8.758 -10.390 10.330 1.00 0.00 N ATOM 1092 CA THR A 68 7.323 -10.527 10.514 1.00 0.00 C ATOM 1093 C THR A 68 6.633 -10.765 9.169 1.00 0.00 C ATOM 1094 O THR A 68 6.636 -9.892 8.303 1.00 0.00 O ATOM 1095 CB THR A 68 6.818 -9.279 11.243 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.755 -9.761 12.060 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.141 -8.284 10.299 1.00 0.00 C ATOM 0 H THR A 68 9.072 -10.452 9.361 1.00 0.00 H new ATOM 0 HA THR A 68 7.084 -11.397 11.125 1.00 0.00 H new ATOM 0 HB THR A 68 7.652 -8.791 11.748 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.371 -9.017 12.569 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.801 -7.417 10.866 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.852 -7.963 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.286 -8.761 9.819 1.00 0.00 H new ATOM 1105 N LEU A 69 6.060 -11.952 9.037 1.00 0.00 N ATOM 1106 CA LEU A 69 5.368 -12.316 7.812 1.00 0.00 C ATOM 1107 C LEU A 69 3.981 -11.669 7.803 1.00 0.00 C ATOM 1108 O LEU A 69 3.350 -11.561 6.753 1.00 0.00 O ATOM 1109 CB LEU A 69 5.338 -13.837 7.646 1.00 0.00 C ATOM 1110 CG LEU A 69 6.695 -14.518 7.457 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.613 -16.008 7.794 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.237 -14.278 6.046 1.00 0.00 C ATOM 0 H LEU A 69 6.061 -12.674 9.758 1.00 0.00 H new ATOM 0 HA LEU A 69 5.904 -11.934 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.856 -14.269 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.711 -14.077 6.787 1.00 0.00 H new ATOM 0 HG LEU A 69 7.402 -14.069 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.591 -16.468 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.303 -16.130 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.887 -16.490 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.202 -14.773 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.538 -14.683 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.357 -13.208 5.880 1.00 0.00 H new ATOM 1124 N GLU A 70 3.548 -11.256 8.985 1.00 0.00 N ATOM 1125 CA GLU A 70 2.248 -10.622 9.126 1.00 0.00 C ATOM 1126 C GLU A 70 2.390 -9.272 9.831 1.00 0.00 C ATOM 1127 O GLU A 70 2.201 -9.177 11.043 1.00 0.00 O ATOM 1128 CB GLU A 70 1.273 -11.533 9.875 1.00 0.00 C ATOM 1129 CG GLU A 70 0.768 -12.658 8.970 1.00 0.00 C ATOM 1130 CD GLU A 70 0.734 -13.991 9.720 1.00 0.00 C ATOM 1131 OE1 GLU A 70 1.819 -14.601 9.844 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.375 -14.371 10.152 1.00 0.00 O ATOM 0 H GLU A 70 4.074 -11.348 9.854 1.00 0.00 H new ATOM 0 HA GLU A 70 1.839 -10.448 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.766 -11.958 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.429 -10.947 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.230 -12.416 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.414 -12.745 8.096 1.00 0.00 H new ATOM 1139 N PRO A 71 2.730 -8.233 9.022 1.00 0.00 N ATOM 1140 CA PRO A 71 2.898 -6.892 9.555 1.00 0.00 C ATOM 1141 C PRO A 71 1.544 -6.252 9.866 1.00 0.00 C ATOM 1142 O PRO A 71 0.562 -6.499 9.170 1.00 0.00 O ATOM 1143 CB PRO A 71 3.681 -6.141 8.491 1.00 0.00 C ATOM 1144 CG PRO A 71 3.518 -6.943 7.210 1.00 0.00 C ATOM 1145 CD PRO A 71 2.962 -8.308 7.582 1.00 0.00 C ATOM 0 HA PRO A 71 3.432 -6.881 10.505 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.300 -5.127 8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.732 -6.055 8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.845 -6.431 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.476 -7.047 6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.039 -8.520 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.666 -9.103 7.335 1.00 0.00 H new ATOM 1153 N LYS A 72 1.536 -5.440 10.914 1.00 0.00 N ATOM 1154 CA LYS A 72 0.319 -4.762 11.326 1.00 0.00 C ATOM 1155 C LYS A 72 0.612 -3.274 11.527 1.00 0.00 C ATOM 1156 O LYS A 72 1.124 -2.874 12.572 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.283 -5.442 12.557 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.776 -6.851 12.220 1.00 0.00 C ATOM 1159 CD LYS A 72 -1.981 -7.231 13.082 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.934 -8.711 13.468 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.701 -9.524 12.499 1.00 0.00 N ATOM 0 H LYS A 72 2.353 -5.237 11.490 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.440 -4.835 10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.464 -5.494 13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.111 -4.845 12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.048 -6.903 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.029 -7.569 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.997 -6.617 13.982 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.902 -7.022 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.899 -9.052 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.344 -8.845 14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.659 -10.526 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.692 -9.209 12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.292 -9.410 11.550 1.00 0.00 H new ATOM 1175 N TRP A 73 0.276 -2.495 10.510 1.00 0.00 N ATOM 1176 CA TRP A 73 0.497 -1.059 10.562 1.00 0.00 C ATOM 1177 C TRP A 73 -0.772 -0.405 11.111 1.00 0.00 C ATOM 1178 O TRP A 73 -0.701 0.472 11.970 1.00 0.00 O ATOM 1179 CB TRP A 73 0.905 -0.517 9.191 1.00 0.00 C ATOM 1180 CG TRP A 73 1.965 -1.360 8.478 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.296 -1.304 8.621 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.726 -2.393 7.499 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.930 -2.222 7.809 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.946 -2.905 7.105 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.520 -2.878 6.964 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.078 -3.929 6.160 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.669 -3.901 6.020 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.889 -4.428 5.613 1.00 0.00 C ATOM 0 H TRP A 73 -0.148 -2.830 9.645 1.00 0.00 H new ATOM 0 HA TRP A 73 1.327 -0.820 11.227 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.020 -0.454 8.558 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.283 0.498 9.311 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.808 -0.626 9.288 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.936 -2.372 7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.445 -2.492 7.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.044 -4.314 5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.227 -4.309 5.577 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.920 -5.219 4.878 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.904 -0.857 10.592 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.188 -0.327 11.019 1.00 0.00 C ATOM 1201 C ASN A 74 -3.074 1.189 11.198 1.00 0.00 C ATOM 1202 O ASN A 74 -3.668 1.755 12.115 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.616 -0.931 12.357 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.878 -1.781 12.197 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -4.838 -2.925 11.775 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -5.997 -1.160 12.557 1.00 0.00 N ATOM 0 H ASN A 74 -1.959 -1.585 9.879 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.927 -0.578 10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.809 -1.544 12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.799 -0.134 13.078 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.893 -1.643 12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.960 -0.201 12.902 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.307 1.802 10.309 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.108 3.240 10.359 1.00 0.00 C ATOM 1215 C GLN A 75 -3.246 3.959 9.632 1.00 0.00 C ATOM 1216 O GLN A 75 -4.179 3.320 9.147 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.750 3.627 9.768 1.00 0.00 C ATOM 1218 CG GLN A 75 0.377 3.373 10.772 1.00 0.00 C ATOM 1219 CD GLN A 75 0.944 4.690 11.305 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.352 5.360 12.135 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.120 5.023 10.782 1.00 0.00 N ATOM 0 H GLN A 75 -1.816 1.329 9.550 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.115 3.552 11.403 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.568 3.054 8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.759 4.679 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.002 2.773 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.171 2.798 10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.561 4.416 10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.581 5.885 11.072 1.00 0.00 H new ATOM 1230 N THR A 76 -3.132 5.278 9.579 1.00 0.00 N ATOM 1231 CA THR A 76 -4.140 6.090 8.919 1.00 0.00 C ATOM 1232 C THR A 76 -3.482 7.079 7.955 1.00 0.00 C ATOM 1233 O THR A 76 -2.379 7.560 8.211 1.00 0.00 O ATOM 1234 CB THR A 76 -4.984 6.767 10.001 1.00 0.00 C ATOM 1235 OG1 THR A 76 -5.892 5.751 10.419 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.888 7.865 9.437 1.00 0.00 C ATOM 0 H THR A 76 -2.357 5.804 9.982 1.00 0.00 H new ATOM 0 HA THR A 76 -4.801 5.478 8.305 1.00 0.00 H new ATOM 0 HB THR A 76 -4.328 7.192 10.760 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.477 6.104 11.122 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.465 8.313 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.276 8.631 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.568 7.435 8.702 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.186 7.354 6.867 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.683 8.277 5.863 1.00 0.00 C ATOM 1246 C PHE A 77 -4.831 9.021 5.179 1.00 0.00 C ATOM 1247 O PHE A 77 -5.714 8.400 4.589 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.939 7.441 4.820 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.704 6.721 5.364 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.766 7.415 6.063 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.543 5.388 5.149 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.381 6.748 6.569 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.396 4.721 5.655 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.542 5.414 6.354 1.00 0.00 C ATOM 0 H PHE A 77 -5.101 6.954 6.658 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.033 9.017 6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.625 6.702 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.636 8.090 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.894 8.474 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.287 4.837 4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.125 7.299 7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.269 3.662 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.414 4.906 6.738 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.782 10.341 5.281 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.807 11.177 4.680 1.00 0.00 C ATOM 1266 C ILE A 78 -5.217 11.913 3.475 1.00 0.00 C ATOM 1267 O ILE A 78 -4.049 12.298 3.489 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.423 12.107 5.727 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.489 11.378 6.548 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.971 13.379 5.076 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.531 11.907 7.984 1.00 0.00 C ATOM 0 H ILE A 78 -4.048 10.852 5.771 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.629 10.564 4.309 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.637 12.412 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.465 11.507 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.279 10.309 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.403 14.023 5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.162 13.908 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.739 13.114 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.297 11.373 8.546 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.561 11.754 8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.766 12.971 7.973 1.00 0.00 H new ATOM 1283 N TYR A 79 -6.052 12.085 2.460 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.627 12.768 1.250 1.00 0.00 C ATOM 1285 C TYR A 79 -6.691 13.763 0.780 1.00 0.00 C ATOM 1286 O TYR A 79 -7.751 13.363 0.300 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.460 11.679 0.188 1.00 0.00 C ATOM 1288 CG TYR A 79 -4.054 11.078 0.129 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.950 11.907 0.108 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.889 9.708 0.097 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.627 11.341 0.053 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.566 9.143 0.041 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.500 9.988 0.022 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.250 9.454 -0.031 1.00 0.00 O ATOM 0 H TYR A 79 -7.020 11.763 2.451 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.707 13.325 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.177 10.882 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.707 12.097 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.079 12.979 0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.753 9.060 0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.755 11.978 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.423 8.073 0.015 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.312 8.476 -0.047 1.00 0.00 H new ATOM 1304 N SER A 80 -6.370 15.039 0.934 1.00 0.00 N ATOM 1305 CA SER A 80 -7.285 16.094 0.531 1.00 0.00 C ATOM 1306 C SER A 80 -6.497 17.302 0.020 1.00 0.00 C ATOM 1307 O SER A 80 -5.311 17.443 0.312 1.00 0.00 O ATOM 1308 CB SER A 80 -8.195 16.505 1.689 1.00 0.00 C ATOM 1309 OG SER A 80 -7.869 17.798 2.192 1.00 0.00 O ATOM 0 H SER A 80 -5.490 15.366 1.332 1.00 0.00 H new ATOM 0 HA SER A 80 -7.915 15.713 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.233 16.497 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.113 15.772 2.492 1.00 0.00 H new ATOM 0 HG SER A 80 -8.474 18.024 2.929 1.00 0.00 H new ATOM 1315 N PRO A 81 -7.208 18.166 -0.754 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.609 17.924 -1.052 1.00 0.00 C ATOM 1317 C PRO A 81 -8.766 16.811 -2.090 1.00 0.00 C ATOM 1318 O PRO A 81 -7.973 16.714 -3.026 1.00 0.00 O ATOM 1319 CB PRO A 81 -9.146 19.263 -1.531 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.928 20.083 -1.926 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.698 19.390 -1.364 1.00 0.00 C ATOM 0 HA PRO A 81 -9.168 17.572 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.821 19.133 -2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.713 19.760 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.858 20.165 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.007 21.097 -1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.975 19.169 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.191 20.017 -0.630 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.793 15.998 -1.889 1.00 0.00 N ATOM 1330 CA VAL A 82 -10.063 14.896 -2.796 1.00 0.00 C ATOM 1331 C VAL A 82 -11.555 14.876 -3.137 1.00 0.00 C ATOM 1332 O VAL A 82 -12.388 14.600 -2.275 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.572 13.582 -2.183 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.229 12.380 -2.865 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -8.047 13.484 -2.248 1.00 0.00 C ATOM 0 H VAL A 82 -10.448 16.081 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.518 15.027 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.864 13.572 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.863 11.459 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.311 12.439 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.982 12.384 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.724 12.541 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.724 13.527 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.605 14.314 -1.696 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.845 15.172 -4.395 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.221 15.191 -4.861 1.00 0.00 C ATOM 1347 C HIS A 83 -13.617 13.797 -5.350 1.00 0.00 C ATOM 1348 O HIS A 83 -12.768 12.917 -5.483 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.420 16.272 -5.925 1.00 0.00 C ATOM 1350 CG HIS A 83 -12.906 17.633 -5.522 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -12.185 18.027 -4.433 1.00 0.00 N flip ATOM 1352 CD2 HIS A 83 -13.122 18.771 -6.279 1.00 0.00 C flip ATOM 1353 CE1 HIS A 83 -11.971 19.334 -4.521 1.00 0.00 C flip ATOM 1354 NE2 HIS A 83 -12.552 19.797 -5.665 1.00 0.00 N flip ATOM 0 H HIS A 83 -11.151 15.401 -5.106 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.884 15.450 -4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.918 15.962 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.483 16.350 -6.155 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.664 18.815 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.427 19.932 -3.805 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.548 20.764 -5.991 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.907 13.638 -5.606 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.426 12.366 -6.078 1.00 0.00 C ATOM 1364 C ARG A 84 -15.183 12.219 -7.582 1.00 0.00 C ATOM 1365 O ARG A 84 -14.975 11.111 -8.075 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.925 12.243 -5.796 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.358 10.776 -5.762 1.00 0.00 C ATOM 1368 CD ARG A 84 -16.939 10.111 -4.449 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.548 8.766 -4.346 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.815 8.542 -3.973 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.615 9.572 -3.665 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -19.283 7.288 -3.907 1.00 0.00 N ATOM 0 H ARG A 84 -15.609 14.370 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.901 11.575 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.159 12.717 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.488 12.774 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.440 10.710 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.914 10.242 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.853 10.032 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.251 10.726 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.967 7.959 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -19.259 10.527 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.580 9.401 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.674 6.504 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -20.248 7.118 -3.623 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.219 13.351 -8.268 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.005 13.362 -9.705 1.00 0.00 C ATOM 1388 C ARG A 85 -13.510 13.299 -10.020 1.00 0.00 C ATOM 1389 O ARG A 85 -13.122 13.092 -11.169 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.600 14.621 -10.341 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.753 15.852 -10.016 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.219 16.503 -11.294 1.00 0.00 C ATOM 1393 NE ARG A 85 -12.970 17.241 -11.002 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.929 18.454 -10.435 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -14.068 19.073 -10.094 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.750 19.048 -10.208 1.00 0.00 N ATOM 0 H ARG A 85 -15.393 14.268 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.505 12.487 -10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.661 14.493 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.617 14.769 -9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.351 16.573 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.920 15.566 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.032 15.740 -12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.965 17.183 -11.705 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.085 16.798 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.966 18.620 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.037 19.997 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.883 18.577 -10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.719 19.972 -9.776 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.710 13.481 -8.979 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.265 13.447 -9.130 1.00 0.00 C ATOM 1412 C GLU A 86 -10.747 12.018 -8.953 1.00 0.00 C ATOM 1413 O GLU A 86 -9.559 11.758 -9.140 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.588 14.402 -8.146 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.779 15.858 -8.575 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.460 16.466 -9.054 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.734 17.001 -8.189 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.207 16.382 -10.275 1.00 0.00 O ATOM 0 H GLU A 86 -13.035 13.652 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.016 13.781 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.002 14.256 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.524 14.174 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.519 15.911 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.169 16.439 -7.739 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.662 11.130 -8.595 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.312 9.735 -8.390 1.00 0.00 C ATOM 1427 C PHE A 87 -10.826 9.095 -9.692 1.00 0.00 C ATOM 1428 O PHE A 87 -9.760 8.483 -9.727 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.582 9.019 -7.927 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.818 9.085 -6.417 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.132 9.982 -5.660 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.715 8.246 -5.831 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.351 10.043 -4.258 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.934 8.307 -4.430 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.247 9.204 -3.673 1.00 0.00 C ATOM 0 H PHE A 87 -12.646 11.350 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.510 9.656 -7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.440 9.456 -8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.529 7.974 -8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.420 10.648 -6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.260 7.534 -6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.806 10.756 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.646 7.641 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.413 9.250 -2.607 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.631 9.260 -10.732 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.296 8.706 -12.032 1.00 0.00 C ATOM 1447 C ARG A 88 -10.055 9.397 -12.600 1.00 0.00 C ATOM 1448 O ARG A 88 -9.442 8.902 -13.545 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.457 8.869 -13.016 1.00 0.00 C ATOM 1450 CG ARG A 88 -12.970 10.310 -13.024 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.749 10.608 -14.307 1.00 0.00 C ATOM 1452 NE ARG A 88 -12.840 10.560 -15.473 1.00 0.00 N ATOM 1453 CZ ARG A 88 -13.135 11.070 -16.677 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -14.316 11.669 -16.880 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -12.248 10.980 -17.678 1.00 0.00 N ATOM 0 H ARG A 88 -12.514 9.769 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.095 7.643 -11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.131 8.590 -14.018 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.267 8.192 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.611 10.476 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.130 10.999 -12.936 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.552 9.882 -14.432 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.215 11.591 -14.239 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.932 10.111 -15.353 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.991 11.737 -16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.540 12.057 -17.796 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.349 10.524 -17.523 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.472 11.368 -18.594 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.720 10.529 -11.999 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.563 11.293 -12.433 1.00 0.00 C ATOM 1471 C GLU A 89 -7.366 11.005 -11.524 1.00 0.00 C ATOM 1472 O GLU A 89 -6.221 11.244 -11.905 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.876 12.790 -12.469 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.065 13.079 -13.387 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.296 14.585 -13.528 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.303 15.328 -13.372 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.460 14.959 -13.787 1.00 0.00 O ATOM 0 H GLU A 89 -10.230 10.936 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.308 10.984 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.095 13.144 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.001 13.340 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.885 12.642 -14.369 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.962 12.606 -12.986 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.672 10.496 -10.339 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.636 10.173 -9.373 1.00 0.00 C ATOM 1486 C ARG A 90 -6.801 8.735 -8.878 1.00 0.00 C ATOM 1487 O ARG A 90 -7.841 8.381 -8.325 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.682 11.126 -8.177 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.934 12.425 -8.482 1.00 0.00 C ATOM 1490 CD ARG A 90 -5.293 12.998 -7.216 1.00 0.00 C ATOM 1491 NE ARG A 90 -4.723 14.335 -7.498 1.00 0.00 N ATOM 1492 CZ ARG A 90 -5.443 15.464 -7.540 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -6.764 15.426 -7.317 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -4.842 16.633 -7.803 1.00 0.00 N ATOM 0 H ARG A 90 -8.623 10.299 -10.026 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.673 10.280 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.719 11.350 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.239 10.643 -7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.165 12.239 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.623 13.155 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.037 13.071 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.511 12.328 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.720 14.401 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.222 14.537 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.312 16.286 -7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.836 16.663 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.390 17.493 -7.835 1.00 0.00 H new ATOM 1508 N MET A 91 -5.760 7.945 -9.095 1.00 0.00 N ATOM 1509 CA MET A 91 -5.777 6.553 -8.677 1.00 0.00 C ATOM 1510 C MET A 91 -4.664 6.270 -7.666 1.00 0.00 C ATOM 1511 O MET A 91 -3.612 6.907 -7.701 1.00 0.00 O ATOM 1512 CB MET A 91 -5.598 5.651 -9.900 1.00 0.00 C ATOM 1513 CG MET A 91 -4.955 4.319 -9.509 1.00 0.00 C ATOM 1514 SD MET A 91 -4.581 3.368 -10.973 1.00 0.00 S ATOM 1515 CE MET A 91 -4.717 1.715 -10.312 1.00 0.00 C ATOM 0 H MET A 91 -4.899 8.242 -9.555 1.00 0.00 H new ATOM 0 HA MET A 91 -6.735 6.348 -8.200 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.566 5.469 -10.367 1.00 0.00 H new ATOM 0 HB3 MET A 91 -4.977 6.155 -10.641 1.00 0.00 H new ATOM 0 HG2 MET A 91 -4.043 4.499 -8.940 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.629 3.757 -8.862 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.127 1.030 -10.921 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.346 1.701 -9.287 1.00 0.00 H new ATOM 0 HE3 MET A 91 -5.761 1.403 -10.324 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.933 5.314 -6.790 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.968 4.939 -5.771 1.00 0.00 C ATOM 1527 C LEU A 92 -3.104 3.789 -6.292 1.00 0.00 C ATOM 1528 O LEU A 92 -3.539 3.018 -7.146 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.676 4.627 -4.451 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.889 5.813 -3.507 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -5.953 5.492 -2.456 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.568 6.251 -2.871 1.00 0.00 C ATOM 0 H LEU A 92 -5.806 4.787 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.297 5.771 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.648 4.189 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.100 3.867 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.259 6.655 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.085 6.351 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.897 5.266 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.636 4.630 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.747 7.095 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.146 5.423 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.869 6.548 -3.653 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.894 3.710 -5.756 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.965 2.667 -6.156 1.00 0.00 C ATOM 1546 C GLU A 93 -0.186 2.156 -4.943 1.00 0.00 C ATOM 1547 O GLU A 93 0.816 2.751 -4.548 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.016 3.168 -7.246 1.00 0.00 C ATOM 1549 CG GLU A 93 1.229 2.283 -7.337 1.00 0.00 C ATOM 1550 CD GLU A 93 2.031 2.593 -8.604 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.500 2.300 -9.697 1.00 0.00 O ATOM 1552 OE2 GLU A 93 3.155 3.116 -8.450 1.00 0.00 O ATOM 0 H GLU A 93 -1.536 4.351 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.537 1.837 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.532 3.177 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.278 4.196 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.855 2.439 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.934 1.234 -7.336 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.676 1.059 -4.385 1.00 0.00 N ATOM 1560 CA ILE A 94 -0.038 0.461 -3.224 1.00 0.00 C ATOM 1561 C ILE A 94 0.886 -0.670 -3.681 1.00 0.00 C ATOM 1562 O ILE A 94 0.548 -1.423 -4.593 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.089 0.021 -2.203 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.134 1.116 -1.984 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.431 -0.413 -0.891 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.246 1.029 -3.032 1.00 0.00 C ATOM 0 H ILE A 94 -1.507 0.569 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 94 0.584 1.194 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.612 -0.847 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.562 1.021 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.657 2.095 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.200 -0.721 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.243 -1.248 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.134 0.421 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.976 1.818 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.818 1.148 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.737 0.058 -2.962 1.00 0.00 H new ATOM 1578 N THR A 95 2.036 -0.752 -3.027 1.00 0.00 N ATOM 1579 CA THR A 95 3.011 -1.778 -3.355 1.00 0.00 C ATOM 1580 C THR A 95 3.710 -2.273 -2.088 1.00 0.00 C ATOM 1581 O THR A 95 3.993 -1.489 -1.183 1.00 0.00 O ATOM 1582 CB THR A 95 3.975 -1.199 -4.394 1.00 0.00 C ATOM 1583 OG1 THR A 95 3.949 0.204 -4.147 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.446 -1.336 -5.823 1.00 0.00 C ATOM 0 H THR A 95 2.314 -0.125 -2.272 1.00 0.00 H new ATOM 0 HA THR A 95 2.531 -2.656 -3.788 1.00 0.00 H new ATOM 0 HB THR A 95 4.939 -1.701 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.548 0.658 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.167 -0.910 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.295 -2.390 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.498 -0.806 -5.912 1.00 0.00 H new ATOM 1592 N LEU A 96 3.969 -3.573 -2.063 1.00 0.00 N ATOM 1593 CA LEU A 96 4.629 -4.182 -0.921 1.00 0.00 C ATOM 1594 C LEU A 96 6.028 -4.645 -1.334 1.00 0.00 C ATOM 1595 O LEU A 96 6.223 -5.127 -2.449 1.00 0.00 O ATOM 1596 CB LEU A 96 3.762 -5.297 -0.333 1.00 0.00 C ATOM 1597 CG LEU A 96 4.178 -5.814 1.046 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.177 -4.684 2.078 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.299 -6.988 1.480 1.00 0.00 C ATOM 0 H LEU A 96 3.734 -4.221 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 96 4.756 -3.453 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.735 -4.936 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.763 -6.136 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 96 5.200 -6.186 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.476 -5.078 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.878 -3.909 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.176 -4.259 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.616 -7.336 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.259 -6.666 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.395 -7.800 0.759 1.00 0.00 H new ATOM 1611 N TRP A 97 6.966 -4.482 -0.413 1.00 0.00 N ATOM 1612 CA TRP A 97 8.341 -4.877 -0.667 1.00 0.00 C ATOM 1613 C TRP A 97 8.940 -5.379 0.649 1.00 0.00 C ATOM 1614 O TRP A 97 8.216 -5.614 1.615 1.00 0.00 O ATOM 1615 CB TRP A 97 9.137 -3.726 -1.286 1.00 0.00 C ATOM 1616 CG TRP A 97 8.305 -2.805 -2.180 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.265 -2.035 -1.831 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.487 -2.586 -3.595 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.765 -1.339 -2.913 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.532 -1.685 -4.019 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.428 -3.131 -4.486 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.425 -1.250 -5.346 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.307 -2.686 -5.808 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.352 -1.780 -6.252 1.00 0.00 C ATOM 0 H TRP A 97 6.801 -4.082 0.511 1.00 0.00 H new ATOM 0 HA TRP A 97 8.381 -5.685 -1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.582 -3.134 -0.486 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.958 -4.139 -1.872 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.868 -1.968 -0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.978 -0.690 -2.903 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.184 -3.837 -4.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.668 -0.544 -5.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 10.006 -3.075 -6.534 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.325 -1.486 -7.291 1.00 0.00 H new ATOM 1635 N ASP A 98 10.257 -5.527 0.644 1.00 0.00 N ATOM 1636 CA ASP A 98 10.961 -5.997 1.825 1.00 0.00 C ATOM 1637 C ASP A 98 12.324 -5.307 1.908 1.00 0.00 C ATOM 1638 O ASP A 98 13.154 -5.453 1.011 1.00 0.00 O ATOM 1639 CB ASP A 98 11.198 -7.507 1.761 1.00 0.00 C ATOM 1640 CG ASP A 98 12.439 -7.999 2.508 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.814 -7.324 3.491 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.985 -9.038 2.079 1.00 0.00 O ATOM 0 H ASP A 98 10.855 -5.330 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 98 10.349 -5.765 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.323 -8.014 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.281 -7.803 0.715 1.00 0.00 H new ATOM 1647 N GLN A 99 12.514 -4.571 2.993 1.00 0.00 N ATOM 1648 CA GLN A 99 13.763 -3.858 3.204 1.00 0.00 C ATOM 1649 C GLN A 99 14.841 -4.817 3.714 1.00 0.00 C ATOM 1650 O GLN A 99 14.678 -5.440 4.762 1.00 0.00 O ATOM 1651 CB GLN A 99 13.569 -2.688 4.170 1.00 0.00 C ATOM 1652 CG GLN A 99 14.041 -1.375 3.542 1.00 0.00 C ATOM 1653 CD GLN A 99 15.489 -1.070 3.931 1.00 0.00 C ATOM 1654 OE1 GLN A 99 15.839 -0.976 5.096 1.00 0.00 O ATOM 1655 NE2 GLN A 99 16.308 -0.921 2.894 1.00 0.00 N ATOM 0 H GLN A 99 11.824 -4.453 3.735 1.00 0.00 H new ATOM 0 HA GLN A 99 14.091 -3.448 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.517 -2.607 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.123 -2.875 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.957 -1.436 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.394 -0.560 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.949 -1.013 1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.295 -0.715 3.049 1.00 0.00 H new ATOM 1809 N PHE A 109 10.699 -6.880 -4.307 1.00 0.00 N ATOM 1810 CA PHE A 109 9.280 -6.670 -4.537 1.00 0.00 C ATOM 1811 C PHE A 109 8.476 -7.924 -4.191 1.00 0.00 C ATOM 1812 O PHE A 109 8.759 -9.007 -4.701 1.00 0.00 O ATOM 1813 CB PHE A 109 9.110 -6.363 -6.026 1.00 0.00 C ATOM 1814 CG PHE A 109 7.651 -6.243 -6.473 1.00 0.00 C ATOM 1815 CD1 PHE A 109 6.995 -5.059 -6.342 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.011 -7.320 -7.003 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.642 -4.947 -6.757 1.00 0.00 C ATOM 1818 CE2 PHE A 109 5.658 -7.208 -7.417 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.002 -6.024 -7.286 1.00 0.00 C ATOM 0 HA PHE A 109 8.918 -5.856 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.628 -5.432 -6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.594 -7.149 -6.606 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.503 -4.204 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.532 -8.260 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.121 -4.007 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.149 -8.063 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.973 -5.939 -7.602 1.00 0.00 H new ATOM 1829 N LEU A 110 7.490 -7.737 -3.327 1.00 0.00 N ATOM 1830 CA LEU A 110 6.643 -8.840 -2.907 1.00 0.00 C ATOM 1831 C LEU A 110 5.389 -8.877 -3.783 1.00 0.00 C ATOM 1832 O LEU A 110 4.911 -9.951 -4.145 1.00 0.00 O ATOM 1833 CB LEU A 110 6.344 -8.746 -1.410 1.00 0.00 C ATOM 1834 CG LEU A 110 7.559 -8.762 -0.481 1.00 0.00 C ATOM 1835 CD1 LEU A 110 7.131 -8.665 0.985 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.434 -9.990 -0.743 1.00 0.00 C ATOM 0 H LEU A 110 7.258 -6.837 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 110 7.158 -9.790 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.785 -7.828 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.692 -9.576 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 110 8.165 -7.883 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.014 -8.679 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.583 -7.736 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.490 -9.511 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.291 -9.977 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.851 -10.895 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.784 -9.974 -1.775 1.00 0.00 H new ATOM 1848 N GLY A 111 4.892 -7.690 -4.100 1.00 0.00 N ATOM 1849 CA GLY A 111 3.703 -7.573 -4.927 1.00 0.00 C ATOM 1850 C GLY A 111 3.268 -6.112 -5.059 1.00 0.00 C ATOM 1851 O GLY A 111 3.926 -5.215 -4.533 1.00 0.00 O ATOM 0 H GLY A 111 5.291 -6.801 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.901 -7.988 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.894 -8.159 -4.492 1.00 0.00 H new ATOM 1855 N GLU A 112 2.163 -5.918 -5.764 1.00 0.00 N ATOM 1856 CA GLU A 112 1.633 -4.581 -5.972 1.00 0.00 C ATOM 1857 C GLU A 112 0.104 -4.612 -5.983 1.00 0.00 C ATOM 1858 O GLU A 112 -0.499 -5.437 -6.668 1.00 0.00 O ATOM 1859 CB GLU A 112 2.179 -3.970 -7.264 1.00 0.00 C ATOM 1860 CG GLU A 112 1.536 -4.618 -8.491 1.00 0.00 C ATOM 1861 CD GLU A 112 2.574 -4.864 -9.588 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.339 -3.916 -9.869 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.580 -5.995 -10.121 1.00 0.00 O ATOM 0 H GLU A 112 1.620 -6.664 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 112 1.958 -3.950 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.987 -2.897 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.260 -4.101 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.071 -5.562 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.743 -3.975 -8.873 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.481 -3.704 -5.216 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.928 -3.617 -5.129 1.00 0.00 C ATOM 1872 C ILE A 113 -2.387 -2.259 -5.665 1.00 0.00 C ATOM 1873 O ILE A 113 -2.271 -1.245 -4.978 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.398 -3.905 -3.702 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.852 -5.245 -3.205 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.923 -3.834 -3.601 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.384 -5.570 -1.808 1.00 0.00 C ATOM 0 H ILE A 113 0.022 -3.022 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.393 -4.380 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.997 -3.131 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.135 -6.037 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.763 -5.213 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.230 -4.043 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.260 -2.837 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.367 -4.571 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.980 -6.527 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.079 -4.789 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.472 -5.626 -1.837 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.897 -2.283 -6.887 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.374 -1.066 -7.523 1.00 0.00 C ATOM 1891 C LEU A 114 -4.885 -0.946 -7.317 1.00 0.00 C ATOM 1892 O LEU A 114 -5.623 -1.905 -7.535 1.00 0.00 O ATOM 1893 CB LEU A 114 -2.949 -1.028 -8.993 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.585 -0.398 -9.280 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -1.736 1.059 -9.725 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.652 -0.535 -8.075 1.00 0.00 C ATOM 0 H LEU A 114 -2.991 -3.126 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.918 -0.191 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.944 -2.049 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.706 -0.481 -9.555 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.126 -0.941 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.751 1.483 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.338 1.102 -10.633 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.226 1.631 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.311 -0.079 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.094 -0.033 -7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.507 -1.591 -7.845 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.300 0.241 -6.898 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.710 0.499 -6.659 1.00 0.00 C ATOM 1910 C ILE A 115 -7.072 1.878 -7.214 1.00 0.00 C ATOM 1911 O ILE A 115 -6.333 2.842 -7.023 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.042 0.327 -5.176 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.959 -1.144 -4.762 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.405 0.939 -4.845 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.092 -1.314 -3.513 1.00 0.00 C ATOM 0 H ILE A 115 -4.685 1.034 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.326 -0.230 -7.186 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.296 0.868 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.961 -1.528 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.544 -1.733 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.617 0.803 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.392 2.003 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.178 0.447 -5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.050 -2.368 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.085 -0.951 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.523 -0.743 -2.690 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.210 1.928 -7.891 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.680 3.173 -8.475 1.00 0.00 C ATOM 1929 C GLU A 116 -9.816 3.758 -7.634 1.00 0.00 C ATOM 1930 O GLU A 116 -10.829 3.098 -7.407 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.121 2.965 -9.925 1.00 0.00 C ATOM 1932 CG GLU A 116 -7.947 2.512 -10.796 1.00 0.00 C ATOM 1933 CD GLU A 116 -7.914 3.284 -12.117 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -7.335 4.392 -12.112 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.469 2.749 -13.101 1.00 0.00 O ATOM 0 H GLU A 116 -8.821 1.126 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.855 3.885 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.916 2.220 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.534 3.893 -10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.011 2.664 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.030 1.444 -10.997 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.610 4.991 -7.196 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.605 5.673 -6.385 1.00 0.00 C ATOM 1944 C LEU A 117 -11.965 5.593 -7.081 1.00 0.00 C ATOM 1945 O LEU A 117 -13.005 5.596 -6.423 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.156 7.102 -6.075 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.692 7.271 -5.665 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.422 8.692 -5.167 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.286 6.216 -4.634 1.00 0.00 C ATOM 0 H LEU A 117 -8.769 5.536 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.711 5.181 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.340 7.718 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.784 7.494 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.071 7.116 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.374 8.785 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.647 9.405 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.053 8.901 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.241 6.359 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.911 6.315 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.417 5.221 -5.060 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.915 5.524 -8.403 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.130 5.443 -9.195 1.00 0.00 C ATOM 1963 C GLU A 118 -14.035 4.328 -8.667 1.00 0.00 C ATOM 1964 O GLU A 118 -15.213 4.556 -8.397 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.807 5.232 -10.676 1.00 0.00 C ATOM 1966 CG GLU A 118 -13.987 5.643 -11.559 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.862 5.035 -12.958 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -12.707 4.877 -13.407 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.926 4.743 -13.546 1.00 0.00 O ATOM 0 H GLU A 118 -11.051 5.523 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.662 6.390 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.926 5.814 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.563 4.184 -10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.920 5.318 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.029 6.730 -11.633 1.00 0.00 H new ATOM 1976 N THR A 119 -13.450 3.147 -8.537 1.00 0.00 N ATOM 1977 CA THR A 119 -14.189 1.996 -8.046 1.00 0.00 C ATOM 1978 C THR A 119 -13.545 1.454 -6.768 1.00 0.00 C ATOM 1979 O THR A 119 -13.593 0.253 -6.506 1.00 0.00 O ATOM 1980 CB THR A 119 -14.262 0.965 -9.174 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.901 0.623 -9.420 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.738 1.574 -10.494 1.00 0.00 C ATOM 0 H THR A 119 -12.473 2.962 -8.763 1.00 0.00 H new ATOM 0 HA THR A 119 -15.207 2.269 -7.769 1.00 0.00 H new ATOM 0 HB THR A 119 -14.934 0.157 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.856 -0.043 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.772 0.800 -11.261 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.734 1.997 -10.361 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.048 2.360 -10.802 1.00 0.00 H new ATOM 1990 N ALA A 120 -12.957 2.366 -6.008 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.304 1.994 -4.764 1.00 0.00 C ATOM 1992 C ALA A 120 -13.366 1.641 -3.721 1.00 0.00 C ATOM 1993 O ALA A 120 -14.405 2.294 -3.642 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.393 3.135 -4.305 1.00 0.00 C ATOM 0 H ALA A 120 -12.919 3.361 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.678 1.114 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -10.903 2.857 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.638 3.327 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.988 4.035 -4.148 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.068 0.608 -2.947 1.00 0.00 N ATOM 2001 CA LEU A 121 -13.985 0.159 -1.912 1.00 0.00 C ATOM 2002 C LEU A 121 -13.879 1.092 -0.704 1.00 0.00 C ATOM 2003 O LEU A 121 -13.084 0.850 0.204 1.00 0.00 O ATOM 2004 CB LEU A 121 -13.736 -1.312 -1.577 1.00 0.00 C ATOM 2005 CG LEU A 121 -13.782 -2.286 -2.756 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.113 -3.614 -2.397 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -15.217 -2.482 -3.250 1.00 0.00 C ATOM 0 H LEU A 121 -12.205 0.069 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.015 0.211 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -12.759 -1.395 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -14.477 -1.627 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.215 -1.852 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.160 -4.288 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.071 -3.436 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.631 -4.065 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -15.221 -3.179 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.828 -2.883 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.625 -1.524 -3.572 1.00 0.00 H new ATOM 2019 N LEU A 122 -14.691 2.138 -0.731 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.698 3.108 0.351 1.00 0.00 C ATOM 2021 C LEU A 122 -15.933 2.882 1.225 1.00 0.00 C ATOM 2022 O LEU A 122 -17.052 3.192 0.817 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.589 4.530 -0.203 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.525 4.750 -1.281 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.896 5.928 -2.185 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.139 4.921 -0.657 1.00 0.00 C ATOM 0 H LEU A 122 -15.349 2.335 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.825 2.972 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.558 4.814 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.383 5.207 0.626 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.487 3.861 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -13.124 6.063 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.850 5.727 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.979 6.835 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.402 5.076 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.144 5.783 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.882 4.026 -0.090 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.690 2.343 2.410 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.769 2.072 3.345 1.00 0.00 C ATOM 2040 C ASP A 123 -16.178 1.614 4.680 1.00 0.00 C ATOM 2041 O ASP A 123 -16.765 0.783 5.371 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.680 0.958 2.826 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.176 1.190 3.048 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.510 1.755 4.112 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.951 0.798 2.150 1.00 0.00 O ATOM 0 H ASP A 123 -14.761 2.086 2.745 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.349 2.987 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.502 0.831 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.397 0.023 3.309 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.023 2.178 5.004 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.346 1.839 6.244 1.00 0.00 C ATOM 2052 C ASP A 124 -14.489 0.338 6.504 1.00 0.00 C ATOM 2053 O ASP A 124 -14.846 -0.074 7.606 1.00 0.00 O ATOM 2054 CB ASP A 124 -14.963 2.584 7.430 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.083 2.650 8.680 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.401 1.638 8.948 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.114 3.711 9.340 1.00 0.00 O ATOM 0 H ASP A 124 -14.539 2.868 4.429 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.298 2.123 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.201 3.601 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.905 2.102 7.692 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.202 -0.439 5.469 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.294 -1.886 5.572 1.00 0.00 C ATOM 2064 C GLU A 125 -12.981 -2.533 5.125 1.00 0.00 C ATOM 2065 O GLU A 125 -12.470 -2.230 4.049 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.473 -2.419 4.757 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.756 -2.428 5.591 1.00 0.00 C ATOM 2068 CD GLU A 125 -17.934 -1.867 4.790 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.959 -2.118 3.566 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -18.783 -1.201 5.421 1.00 0.00 O ATOM 0 H GLU A 125 -13.906 -0.094 4.556 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.469 -2.147 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.616 -1.801 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.253 -3.429 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.980 -3.446 5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.611 -1.836 6.495 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.461 -3.437 5.998 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.218 -4.130 5.705 1.00 0.00 C ATOM 2079 C PRO A 126 -11.433 -5.219 4.652 1.00 0.00 C ATOM 2080 O PRO A 126 -12.257 -6.113 4.838 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.749 -4.681 7.042 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.972 -4.677 7.946 1.00 0.00 C ATOM 2083 CD PRO A 126 -13.039 -3.821 7.283 1.00 0.00 C ATOM 0 HA PRO A 126 -10.462 -3.474 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.349 -5.689 6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.952 -4.066 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.337 -5.693 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.719 -4.279 8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.967 -4.378 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.277 -2.946 7.888 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.676 -5.109 3.570 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.774 -6.073 2.487 1.00 0.00 C ATOM 2093 C HIS A 127 -9.388 -6.645 2.183 1.00 0.00 C ATOM 2094 O HIS A 127 -8.418 -5.899 2.058 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.439 -5.447 1.260 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.832 -5.961 0.987 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.145 -6.723 -0.126 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.990 -5.816 1.692 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.436 -7.017 -0.081 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.958 -6.453 1.046 1.00 0.00 N ATOM 0 H HIS A 127 -9.992 -4.367 3.420 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.413 -6.902 2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.482 -4.366 1.394 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.816 -5.635 0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -14.101 -5.274 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -14.980 -7.601 -0.809 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.932 -6.511 1.343 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.339 -7.965 2.073 1.00 0.00 N ATOM 2109 CA TRP A 128 -8.088 -8.646 1.787 1.00 0.00 C ATOM 2110 C TRP A 128 -7.847 -8.577 0.277 1.00 0.00 C ATOM 2111 O TRP A 128 -8.499 -9.282 -0.491 1.00 0.00 O ATOM 2112 CB TRP A 128 -8.107 -10.078 2.324 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.945 -10.175 3.843 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.891 -10.427 4.759 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.721 -10.010 4.589 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.368 -10.437 6.036 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -7.007 -10.175 5.929 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.416 -9.731 4.147 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -6.039 -10.080 6.937 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.461 -9.639 5.166 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.732 -9.802 6.519 1.00 0.00 C ATOM 0 H TRP A 128 -10.146 -8.581 2.177 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.258 -8.156 2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -9.047 -10.550 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.308 -10.645 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.931 -10.600 4.527 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.885 -10.606 6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.170 -9.598 3.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.287 -10.214 7.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.441 -9.426 4.880 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.938 -9.715 7.245 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.909 -7.722 -0.102 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.575 -7.552 -1.506 1.00 0.00 C ATOM 2134 C TYR A 129 -5.432 -8.483 -1.914 1.00 0.00 C ATOM 2135 O TYR A 129 -4.418 -8.567 -1.223 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.113 -6.101 -1.657 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.220 -5.069 -1.428 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.348 -5.079 -2.223 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.089 -4.129 -0.427 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.389 -4.108 -2.008 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.130 -3.157 -0.212 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.229 -3.195 -1.013 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.212 -2.277 -0.809 1.00 0.00 O ATOM 0 H TYR A 129 -6.370 -7.139 0.538 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.434 -7.785 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.303 -5.913 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.703 -5.963 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.450 -5.815 -3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.206 -4.122 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.277 -4.105 -2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -8.040 -2.415 0.567 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.962 -1.690 -0.065 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.634 -9.160 -3.035 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.632 -10.082 -3.543 1.00 0.00 C ATOM 2155 C LYS A 130 -3.444 -9.288 -4.089 1.00 0.00 C ATOM 2156 O LYS A 130 -3.624 -8.235 -4.699 1.00 0.00 O ATOM 2157 CB LYS A 130 -5.253 -11.039 -4.563 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.492 -12.419 -3.947 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.181 -13.353 -4.944 1.00 0.00 C ATOM 2160 CE LYS A 130 -7.206 -14.245 -4.240 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.845 -15.163 -5.209 1.00 0.00 N ATOM 0 H LYS A 130 -6.476 -9.089 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.252 -10.712 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.197 -10.629 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.595 -11.132 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.541 -12.852 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -6.106 -12.320 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.675 -12.765 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.436 -13.973 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.717 -14.820 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.965 -13.628 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.538 -15.761 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.328 -14.609 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.119 -15.764 -5.648 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.256 -9.823 -3.849 1.00 0.00 N ATOM 2176 CA LEU A 131 -1.038 -9.177 -4.309 1.00 0.00 C ATOM 2177 C LEU A 131 -0.686 -9.697 -5.704 1.00 0.00 C ATOM 2178 O LEU A 131 -0.831 -10.886 -5.982 1.00 0.00 O ATOM 2179 CB LEU A 131 0.084 -9.358 -3.284 1.00 0.00 C ATOM 2180 CG LEU A 131 0.033 -8.436 -2.064 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.129 -9.239 -0.766 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.111 -7.353 -2.149 1.00 0.00 C ATOM 0 H LEU A 131 -2.111 -10.696 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.187 -8.101 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.067 -10.391 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.038 -9.207 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.932 -7.930 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.090 -8.560 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.704 -9.940 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.069 -9.790 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.053 -6.712 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.094 -7.821 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.955 -6.754 -3.046 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.230 -8.780 -6.544 1.00 0.00 N ATOM 2195 CA GLN A 132 0.144 -9.130 -7.904 1.00 0.00 C ATOM 2196 C GLN A 132 1.666 -9.230 -8.027 1.00 0.00 C ATOM 2197 O GLN A 132 2.374 -8.243 -7.832 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.422 -8.122 -8.906 1.00 0.00 C ATOM 2199 CG GLN A 132 -1.944 -8.247 -9.009 1.00 0.00 C ATOM 2200 CD GLN A 132 -2.338 -9.484 -9.819 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -1.584 -9.991 -10.633 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -3.559 -9.939 -9.552 1.00 0.00 N ATOM 0 H GLN A 132 -0.111 -7.795 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 132 -0.285 -10.104 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.157 -7.110 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.027 -8.286 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.376 -8.309 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.355 -7.354 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -4.139 -9.467 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -3.916 -10.760 -10.041 1.00 0.00 H new