USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 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 110 TYR OH : rot -120:sc= 0.395 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -0.78 K(o=-0.39,f=-2.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.398 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc=-0.00699 (180deg=-0.157) USER MOD Single : A 101 GLN : amide:sc= -0.928! C(o=-0.93!,f=-2.9!) USER MOD Single : A 108 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.07) USER MOD Single : A 113 LYS NZ :NH3+ 163:sc= -0.0171 (180deg=-0.292) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -126:sc= -0.124 (180deg=-0.977) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -2.81 X(o=-2.8,f=-3) USER MOD Single : A 130 CYS SG : rot 180:sc= -0.862 USER MOD Single : A 135 HIS : no HE2:sc= 0.0697 K(o=0.07,f=-1.1) USER MOD Single : A 136 ASN : amide:sc= 0.322 K(o=0.32,f=-0.24) USER MOD Single : A 137 HIS : no HE2:sc= -1.02 K(o=-1,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.614 -9.482 -12.799 1.00 0.00 N ATOM 85 CA TRP A 95 14.702 -9.569 -13.770 1.00 0.00 C ATOM 86 C TRP A 95 14.192 -9.907 -15.175 1.00 0.00 C ATOM 87 O TRP A 95 13.090 -10.424 -15.348 1.00 0.00 O ATOM 88 CB TRP A 95 15.751 -10.574 -13.285 1.00 0.00 C ATOM 89 CG TRP A 95 16.662 -10.025 -12.236 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.445 -10.038 -10.909 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.938 -9.354 -12.411 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.478 -9.425 -10.237 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.437 -8.973 -11.126 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.729 -9.022 -13.527 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.648 -8.292 -10.969 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.948 -8.342 -13.372 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.405 -7.976 -12.095 1.00 0.00 C ATOM 0 HA TRP A 95 15.173 -8.589 -13.847 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.244 -11.454 -12.890 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.347 -10.904 -14.136 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.577 -10.471 -10.434 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.529 -9.319 -9.224 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.394 -9.294 -14.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.993 -8.014 -9.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.539 -8.098 -14.242 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.342 -7.450 -11.986 1.00 0.00 H new ATOM 108 N THR A 96 15.018 -9.590 -16.184 1.00 0.00 N ATOM 109 CA THR A 96 14.685 -9.825 -17.583 1.00 0.00 C ATOM 110 C THR A 96 15.924 -10.334 -18.315 1.00 0.00 C ATOM 111 O THR A 96 17.014 -10.346 -17.751 1.00 0.00 O ATOM 112 CB THR A 96 14.192 -8.515 -18.224 1.00 0.00 C ATOM 113 OG1 THR A 96 15.282 -7.633 -18.401 1.00 0.00 O ATOM 114 CG2 THR A 96 13.141 -7.847 -17.332 1.00 0.00 C ATOM 0 H THR A 96 15.934 -9.164 -16.045 1.00 0.00 H new ATOM 0 HA THR A 96 13.894 -10.571 -17.654 1.00 0.00 H new ATOM 0 HB THR A 96 13.744 -8.746 -19.190 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.966 -6.801 -18.811 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.802 -6.922 -17.799 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.293 -8.520 -17.202 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.579 -7.623 -16.359 1.00 0.00 H new ATOM 122 N LYS A 97 15.755 -10.747 -19.577 1.00 0.00 N ATOM 123 CA LYS A 97 16.867 -11.228 -20.385 1.00 0.00 C ATOM 124 C LYS A 97 17.849 -10.082 -20.638 1.00 0.00 C ATOM 125 O LYS A 97 19.062 -10.276 -20.581 1.00 0.00 O ATOM 126 CB LYS A 97 16.327 -11.790 -21.704 1.00 0.00 C ATOM 127 CG LYS A 97 17.468 -12.426 -22.504 1.00 0.00 C ATOM 128 CD LYS A 97 16.900 -13.100 -23.758 1.00 0.00 C ATOM 129 CE LYS A 97 18.043 -13.628 -24.633 1.00 0.00 C ATOM 130 NZ LYS A 97 18.802 -14.687 -23.942 1.00 0.00 N ATOM 0 H LYS A 97 14.854 -10.755 -20.056 1.00 0.00 H new ATOM 0 HA LYS A 97 17.396 -12.023 -19.859 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.554 -12.532 -21.504 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.863 -10.994 -22.286 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.197 -11.666 -22.785 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.992 -13.159 -21.890 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.241 -13.920 -23.473 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.298 -12.388 -24.323 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.638 -14.018 -25.567 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.713 -12.808 -24.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.443 -15.151 -24.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.358 -14.268 -23.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.142 -15.389 -23.552 1.00 0.00 H new ATOM 144 N GLU A 98 17.313 -8.887 -20.917 1.00 0.00 N ATOM 145 CA GLU A 98 18.122 -7.703 -21.168 1.00 0.00 C ATOM 146 C GLU A 98 18.956 -7.379 -19.929 1.00 0.00 C ATOM 147 O GLU A 98 20.168 -7.192 -20.023 1.00 0.00 O ATOM 148 CB GLU A 98 17.180 -6.539 -21.536 1.00 0.00 C ATOM 149 CG GLU A 98 17.904 -5.183 -21.453 1.00 0.00 C ATOM 150 CD GLU A 98 19.101 -5.111 -22.397 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.091 -5.859 -23.396 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.004 -4.297 -22.096 1.00 0.00 O ATOM 0 H GLU A 98 16.308 -8.721 -20.973 1.00 0.00 H new ATOM 0 HA GLU A 98 18.812 -7.874 -21.995 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.794 -6.686 -22.545 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.322 -6.537 -20.864 1.00 0.00 H new ATOM 0 HG2 GLU A 98 17.204 -4.384 -21.695 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.239 -5.014 -20.430 1.00 0.00 H new ATOM 159 N GLU A 99 18.300 -7.312 -18.766 1.00 0.00 N ATOM 160 CA GLU A 99 18.972 -6.996 -17.517 1.00 0.00 C ATOM 161 C GLU A 99 20.006 -8.086 -17.186 1.00 0.00 C ATOM 162 O GLU A 99 21.104 -7.778 -16.724 1.00 0.00 O ATOM 163 CB GLU A 99 17.919 -6.853 -16.408 1.00 0.00 C ATOM 164 CG GLU A 99 18.407 -5.863 -15.343 1.00 0.00 C ATOM 165 CD GLU A 99 17.369 -5.677 -14.237 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.471 -6.541 -14.138 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.488 -4.670 -13.505 1.00 0.00 O ATOM 0 H GLU A 99 17.298 -7.475 -18.672 1.00 0.00 H new ATOM 0 HA GLU A 99 19.511 -6.053 -17.605 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.977 -6.507 -16.833 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.726 -7.824 -15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.341 -6.222 -14.911 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.621 -4.901 -15.809 1.00 0.00 H new ATOM 174 N ASP A 100 19.654 -9.358 -17.433 1.00 0.00 N ATOM 175 CA ASP A 100 20.552 -10.483 -17.175 1.00 0.00 C ATOM 176 C ASP A 100 21.817 -10.362 -18.022 1.00 0.00 C ATOM 177 O ASP A 100 22.920 -10.544 -17.509 1.00 0.00 O ATOM 178 CB ASP A 100 19.833 -11.804 -17.500 1.00 0.00 C ATOM 179 CG ASP A 100 19.102 -12.372 -16.296 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.955 -11.633 -15.303 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.695 -13.548 -16.391 1.00 0.00 O ATOM 0 H ASP A 100 18.747 -9.629 -17.813 1.00 0.00 H new ATOM 0 HA ASP A 100 20.835 -10.472 -16.122 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.122 -11.639 -18.310 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.560 -12.533 -17.858 1.00 0.00 H new ATOM 186 N GLN A 101 21.656 -10.064 -19.320 1.00 0.00 N ATOM 187 CA GLN A 101 22.785 -9.940 -20.239 1.00 0.00 C ATOM 188 C GLN A 101 23.848 -9.017 -19.647 1.00 0.00 C ATOM 189 O GLN A 101 25.037 -9.329 -19.693 1.00 0.00 O ATOM 190 CB GLN A 101 22.281 -9.405 -21.590 1.00 0.00 C ATOM 191 CG GLN A 101 23.380 -9.527 -22.661 1.00 0.00 C ATOM 192 CD GLN A 101 24.445 -8.436 -22.518 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.139 -7.307 -22.144 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.699 -8.780 -22.818 1.00 0.00 N ATOM 0 H GLN A 101 20.747 -9.905 -19.754 1.00 0.00 H new ATOM 0 HA GLN A 101 23.241 -10.918 -20.395 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.397 -9.962 -21.902 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.980 -8.362 -21.486 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.852 -10.507 -22.586 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.929 -9.466 -23.652 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.908 -9.730 -23.125 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.449 -8.093 -22.740 1.00 0.00 H new ATOM 203 N ARG A 102 23.415 -7.880 -19.094 1.00 0.00 N ATOM 204 CA ARG A 102 24.327 -6.908 -18.516 1.00 0.00 C ATOM 205 C ARG A 102 25.160 -7.559 -17.413 1.00 0.00 C ATOM 206 O ARG A 102 26.381 -7.467 -17.434 1.00 0.00 O ATOM 207 CB ARG A 102 23.532 -5.717 -17.974 1.00 0.00 C ATOM 208 CG ARG A 102 22.808 -5.018 -19.130 1.00 0.00 C ATOM 209 CD ARG A 102 21.837 -3.975 -18.581 1.00 0.00 C ATOM 210 NE ARG A 102 20.898 -3.550 -19.624 1.00 0.00 N ATOM 211 CZ ARG A 102 20.000 -2.570 -19.453 1.00 0.00 C ATOM 212 NH1 ARG A 102 19.912 -1.928 -18.280 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.192 -2.238 -20.464 1.00 0.00 N ATOM 0 H ARG A 102 22.431 -7.616 -19.038 1.00 0.00 H new ATOM 0 HA ARG A 102 25.010 -6.548 -19.285 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.810 -6.056 -17.231 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.201 -5.017 -17.473 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.533 -4.541 -19.789 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.267 -5.751 -19.728 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.288 -4.390 -17.736 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.391 -3.113 -18.209 1.00 0.00 H new ATOM 0 HE ARG A 102 20.930 -4.025 -20.526 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.531 -2.184 -17.511 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.226 -1.183 -18.157 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.262 -2.729 -21.355 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.505 -1.494 -20.344 1.00 0.00 H new ATOM 227 N VAL A 103 24.502 -8.220 -16.450 1.00 0.00 N ATOM 228 CA VAL A 103 25.208 -8.871 -15.349 1.00 0.00 C ATOM 229 C VAL A 103 26.182 -9.909 -15.897 1.00 0.00 C ATOM 230 O VAL A 103 27.345 -9.913 -15.520 1.00 0.00 O ATOM 231 CB VAL A 103 24.206 -9.525 -14.391 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.960 -10.250 -13.270 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.314 -8.455 -13.773 1.00 0.00 C ATOM 0 H VAL A 103 23.487 -8.315 -16.415 1.00 0.00 H new ATOM 0 HA VAL A 103 25.773 -8.121 -14.796 1.00 0.00 H new ATOM 0 HB VAL A 103 23.597 -10.238 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.244 -10.714 -12.591 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.602 -11.018 -13.701 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.571 -9.534 -12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.603 -8.923 -13.092 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.928 -7.743 -13.222 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.772 -7.933 -14.562 1.00 0.00 H new ATOM 243 N ILE A 104 25.702 -10.786 -16.785 1.00 0.00 N ATOM 244 CA ILE A 104 26.534 -11.826 -17.379 1.00 0.00 C ATOM 245 C ILE A 104 27.814 -11.210 -17.940 1.00 0.00 C ATOM 246 O ILE A 104 28.916 -11.653 -17.615 1.00 0.00 O ATOM 247 CB ILE A 104 25.732 -12.542 -18.481 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.714 -13.493 -17.834 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.680 -13.332 -19.395 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.768 -14.054 -18.897 1.00 0.00 C ATOM 0 H ILE A 104 24.734 -10.792 -17.107 1.00 0.00 H new ATOM 0 HA ILE A 104 26.818 -12.556 -16.621 1.00 0.00 H new ATOM 0 HB ILE A 104 25.205 -11.801 -19.082 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.235 -14.309 -17.333 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.143 -12.963 -17.072 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.102 -13.835 -20.171 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.392 -12.649 -19.858 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.219 -14.074 -18.806 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.051 -14.727 -18.427 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.235 -13.234 -19.379 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.343 -14.601 -19.644 1.00 0.00 H new ATOM 262 N GLU A 105 27.663 -10.186 -18.781 1.00 0.00 N ATOM 263 CA GLU A 105 28.795 -9.518 -19.392 1.00 0.00 C ATOM 264 C GLU A 105 29.707 -8.933 -18.315 1.00 0.00 C ATOM 265 O GLU A 105 30.915 -9.128 -18.360 1.00 0.00 O ATOM 266 CB GLU A 105 28.278 -8.420 -20.323 1.00 0.00 C ATOM 267 CG GLU A 105 29.434 -7.843 -21.143 1.00 0.00 C ATOM 268 CD GLU A 105 28.948 -6.722 -22.050 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.880 -6.918 -22.673 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.655 -5.688 -22.103 1.00 0.00 O ATOM 0 H GLU A 105 26.757 -9.804 -19.051 1.00 0.00 H new ATOM 0 HA GLU A 105 29.379 -10.234 -19.971 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.516 -8.825 -20.989 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.805 -7.630 -19.740 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.207 -7.466 -20.474 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.889 -8.631 -21.743 1.00 0.00 H new ATOM 277 N LEU A 106 29.124 -8.210 -17.354 1.00 0.00 N ATOM 278 CA LEU A 106 29.886 -7.562 -16.295 1.00 0.00 C ATOM 279 C LEU A 106 30.681 -8.588 -15.480 1.00 0.00 C ATOM 280 O LEU A 106 31.814 -8.315 -15.101 1.00 0.00 O ATOM 281 CB LEU A 106 28.932 -6.770 -15.390 1.00 0.00 C ATOM 282 CG LEU A 106 28.393 -5.533 -16.132 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.129 -5.025 -15.431 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.445 -4.421 -16.131 1.00 0.00 C ATOM 0 H LEU A 106 28.117 -8.061 -17.293 1.00 0.00 H new ATOM 0 HA LEU A 106 30.603 -6.877 -16.747 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.103 -7.406 -15.080 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.453 -6.460 -14.484 1.00 0.00 H new ATOM 0 HG LEU A 106 28.161 -5.812 -17.160 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.748 -4.149 -15.957 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.371 -5.808 -15.435 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.367 -4.755 -14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.055 -3.550 -16.658 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.683 -4.146 -15.103 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.347 -4.773 -16.631 1.00 0.00 H new ATOM 296 N VAL A 107 30.101 -9.764 -15.206 1.00 0.00 N ATOM 297 CA VAL A 107 30.790 -10.789 -14.433 1.00 0.00 C ATOM 298 C VAL A 107 31.982 -11.304 -15.235 1.00 0.00 C ATOM 299 O VAL A 107 33.081 -11.420 -14.703 1.00 0.00 O ATOM 300 CB VAL A 107 29.819 -11.927 -14.081 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.601 -13.112 -13.503 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.810 -11.441 -13.036 1.00 0.00 C ATOM 0 H VAL A 107 29.162 -10.022 -15.509 1.00 0.00 H new ATOM 0 HA VAL A 107 31.156 -10.366 -13.498 1.00 0.00 H new ATOM 0 HB VAL A 107 29.293 -12.237 -14.984 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.910 -13.917 -13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.322 -13.467 -14.240 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.128 -12.796 -12.603 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.123 -12.251 -12.789 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.340 -11.128 -12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.248 -10.598 -13.438 1.00 0.00 H new ATOM 312 N GLN A 108 31.763 -11.605 -16.518 1.00 0.00 N ATOM 313 CA GLN A 108 32.826 -12.085 -17.388 1.00 0.00 C ATOM 314 C GLN A 108 33.913 -11.013 -17.534 1.00 0.00 C ATOM 315 O GLN A 108 35.096 -11.333 -17.634 1.00 0.00 O ATOM 316 CB GLN A 108 32.224 -12.442 -18.751 1.00 0.00 C ATOM 317 CG GLN A 108 33.266 -13.161 -19.613 1.00 0.00 C ATOM 318 CD GLN A 108 32.651 -13.643 -20.921 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.710 -14.827 -21.240 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.059 -12.721 -21.682 1.00 0.00 N ATOM 0 H GLN A 108 30.854 -11.522 -16.973 1.00 0.00 H new ATOM 0 HA GLN A 108 33.289 -12.973 -16.956 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.350 -13.079 -18.616 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.884 -11.538 -19.256 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.097 -12.488 -19.824 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.675 -14.010 -19.064 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.034 -11.748 -21.377 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.632 -12.989 -22.569 1.00 0.00 H new ATOM 329 N LYS A 109 33.501 -9.739 -17.552 1.00 0.00 N ATOM 330 CA LYS A 109 34.415 -8.618 -17.710 1.00 0.00 C ATOM 331 C LYS A 109 35.279 -8.446 -16.457 1.00 0.00 C ATOM 332 O LYS A 109 36.501 -8.361 -16.557 1.00 0.00 O ATOM 333 CB LYS A 109 33.590 -7.354 -17.984 1.00 0.00 C ATOM 334 CG LYS A 109 34.443 -6.298 -18.695 1.00 0.00 C ATOM 335 CD LYS A 109 33.550 -5.129 -19.137 1.00 0.00 C ATOM 336 CE LYS A 109 32.800 -5.495 -20.429 1.00 0.00 C ATOM 337 NZ LYS A 109 31.647 -4.601 -20.648 1.00 0.00 N ATOM 0 H LYS A 109 32.523 -9.464 -17.457 1.00 0.00 H new ATOM 0 HA LYS A 109 35.088 -8.803 -18.547 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.724 -7.604 -18.598 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.210 -6.951 -17.046 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.226 -5.939 -18.028 1.00 0.00 H new ATOM 0 HG3 LYS A 109 34.939 -6.738 -19.560 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.836 -4.888 -18.349 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.157 -4.239 -19.300 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.480 -5.430 -21.278 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.457 -6.528 -20.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.082 -4.952 -21.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.057 -4.579 -19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 31.987 -3.641 -20.859 1.00 0.00 H new ATOM 351 N TYR A 110 34.636 -8.388 -15.283 1.00 0.00 N ATOM 352 CA TYR A 110 35.333 -8.200 -14.017 1.00 0.00 C ATOM 353 C TYR A 110 35.574 -9.552 -13.349 1.00 0.00 C ATOM 354 O TYR A 110 36.663 -10.111 -13.458 1.00 0.00 O ATOM 355 CB TYR A 110 34.499 -7.274 -13.121 1.00 0.00 C ATOM 356 CG TYR A 110 34.344 -5.882 -13.695 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.458 -5.027 -13.779 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.090 -5.446 -14.157 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.317 -3.741 -14.327 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.952 -4.164 -14.706 1.00 0.00 C ATOM 361 CZ TYR A 110 34.063 -3.310 -14.793 1.00 0.00 C ATOM 362 OH TYR A 110 33.925 -2.066 -15.332 1.00 0.00 O ATOM 0 H TYR A 110 33.623 -8.470 -15.191 1.00 0.00 H new ATOM 0 HA TYR A 110 36.305 -7.738 -14.189 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.512 -7.712 -12.973 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.969 -7.207 -12.140 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.422 -5.359 -13.422 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.233 -6.099 -14.089 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.172 -3.084 -14.390 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.988 -3.832 -15.063 1.00 0.00 H new ATOM 0 HH TYR A 110 33.277 -1.552 -14.806 1.00 0.00 H new ATOM 372 N GLY A 111 34.558 -10.076 -12.656 1.00 0.00 N ATOM 373 CA GLY A 111 34.662 -11.356 -11.980 1.00 0.00 C ATOM 374 C GLY A 111 33.520 -11.504 -10.973 1.00 0.00 C ATOM 375 O GLY A 111 32.936 -10.505 -10.553 1.00 0.00 O ATOM 0 H GLY A 111 33.650 -9.622 -12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.624 -12.166 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.622 -11.431 -11.469 1.00 0.00 H new ATOM 379 N PRO A 112 33.196 -12.751 -10.581 1.00 0.00 N ATOM 380 CA PRO A 112 32.147 -13.021 -9.618 1.00 0.00 C ATOM 381 C PRO A 112 32.562 -12.546 -8.220 1.00 0.00 C ATOM 382 O PRO A 112 33.665 -12.031 -8.036 1.00 0.00 O ATOM 383 CB PRO A 112 31.946 -14.540 -9.650 1.00 0.00 C ATOM 384 CG PRO A 112 33.143 -15.123 -10.411 1.00 0.00 C ATOM 385 CD PRO A 112 33.853 -13.944 -11.077 1.00 0.00 C ATOM 0 HA PRO A 112 31.225 -12.492 -9.860 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.894 -14.946 -8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.009 -14.797 -10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.816 -15.647 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.813 -15.848 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.914 -13.937 -10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.780 -14.007 -12.163 1.00 0.00 H new ATOM 393 N LYS A 113 31.664 -12.729 -7.238 1.00 0.00 N ATOM 394 CA LYS A 113 31.912 -12.346 -5.845 1.00 0.00 C ATOM 395 C LYS A 113 32.186 -10.843 -5.728 1.00 0.00 C ATOM 396 O LYS A 113 32.836 -10.406 -4.778 1.00 0.00 O ATOM 397 CB LYS A 113 33.090 -13.156 -5.271 1.00 0.00 C ATOM 398 CG LYS A 113 32.809 -14.665 -5.346 1.00 0.00 C ATOM 399 CD LYS A 113 31.799 -15.067 -4.263 1.00 0.00 C ATOM 400 CE LYS A 113 31.628 -16.591 -4.245 1.00 0.00 C ATOM 401 NZ LYS A 113 32.857 -17.266 -3.787 1.00 0.00 N ATOM 0 H LYS A 113 30.746 -13.147 -7.391 1.00 0.00 H new ATOM 0 HA LYS A 113 31.017 -12.570 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.000 -12.924 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.265 -12.866 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.419 -14.922 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.736 -15.223 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.141 -14.720 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.839 -14.587 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 113 30.799 -16.858 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.370 -16.941 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.634 -18.244 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.556 -17.275 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.249 -16.756 -2.969 1.00 0.00 H new ATOM 415 N ARG A 114 31.680 -10.056 -6.686 1.00 0.00 N ATOM 416 CA ARG A 114 31.836 -8.608 -6.676 1.00 0.00 C ATOM 417 C ARG A 114 30.499 -7.976 -6.986 1.00 0.00 C ATOM 418 O ARG A 114 30.097 -7.893 -8.139 1.00 0.00 O ATOM 419 CB ARG A 114 32.882 -8.178 -7.699 1.00 0.00 C ATOM 420 CG ARG A 114 34.289 -8.396 -7.142 1.00 0.00 C ATOM 421 CD ARG A 114 34.566 -7.446 -5.966 1.00 0.00 C ATOM 422 NE ARG A 114 34.376 -8.128 -4.678 1.00 0.00 N ATOM 423 CZ ARG A 114 34.682 -7.569 -3.496 1.00 0.00 C ATOM 424 NH1 ARG A 114 35.181 -6.326 -3.445 1.00 0.00 N ATOM 425 NH2 ARG A 114 34.487 -8.259 -2.365 1.00 0.00 N ATOM 0 H ARG A 114 31.154 -10.410 -7.485 1.00 0.00 H new ATOM 0 HA ARG A 114 32.177 -8.281 -5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.756 -8.747 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 114 32.742 -7.127 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.398 -9.430 -6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.025 -8.232 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.586 -7.067 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 114 33.901 -6.584 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 114 33.993 -9.073 -4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 114 35.330 -5.800 -4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 114 35.412 -5.906 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 114 34.108 -9.205 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 114 34.718 -7.839 -1.465 1.00 0.00 H new ATOM 439 N TRP A 115 29.818 -7.542 -5.939 1.00 0.00 N ATOM 440 CA TRP A 115 28.491 -6.954 -6.053 1.00 0.00 C ATOM 441 C TRP A 115 28.521 -5.512 -5.571 1.00 0.00 C ATOM 442 O TRP A 115 27.771 -5.120 -4.679 1.00 0.00 O ATOM 443 CB TRP A 115 27.506 -7.816 -5.262 1.00 0.00 C ATOM 444 CG TRP A 115 27.575 -9.262 -5.637 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.860 -10.281 -4.809 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.402 -9.869 -6.951 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.884 -11.476 -5.490 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.620 -11.278 -6.834 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.088 -9.377 -8.240 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.554 -12.137 -7.934 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.012 -10.245 -9.346 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.262 -11.610 -9.197 1.00 0.00 C ATOM 0 H TRP A 115 30.169 -7.587 -4.983 1.00 0.00 H new ATOM 0 HA TRP A 115 28.164 -6.932 -7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.712 -7.711 -4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.493 -7.449 -5.429 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.045 -10.176 -3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.071 -12.383 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.904 -8.322 -8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.726 -13.196 -7.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.758 -9.851 -10.319 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.230 -12.261 -10.058 1.00 0.00 H new ATOM 463 N SER A 116 29.403 -4.728 -6.189 1.00 0.00 N ATOM 464 CA SER A 116 29.552 -3.315 -5.899 1.00 0.00 C ATOM 465 C SER A 116 29.894 -2.610 -7.205 1.00 0.00 C ATOM 466 O SER A 116 29.212 -1.673 -7.609 1.00 0.00 O ATOM 467 CB SER A 116 30.649 -3.113 -4.849 1.00 0.00 C ATOM 468 OG SER A 116 30.395 -3.941 -3.733 1.00 0.00 O ATOM 0 H SER A 116 30.038 -5.066 -6.912 1.00 0.00 H new ATOM 0 HA SER A 116 28.632 -2.898 -5.490 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.623 -3.350 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.682 -2.068 -4.539 1.00 0.00 H new ATOM 0 HG SER A 116 31.098 -3.812 -3.063 1.00 0.00 H new ATOM 474 N VAL A 117 30.949 -3.088 -7.873 1.00 0.00 N ATOM 475 CA VAL A 117 31.351 -2.561 -9.163 1.00 0.00 C ATOM 476 C VAL A 117 30.250 -2.881 -10.175 1.00 0.00 C ATOM 477 O VAL A 117 29.758 -1.992 -10.863 1.00 0.00 O ATOM 478 CB VAL A 117 32.693 -3.194 -9.571 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.110 -2.694 -10.954 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.773 -2.818 -8.551 1.00 0.00 C ATOM 0 H VAL A 117 31.539 -3.846 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 117 31.488 -1.480 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 117 32.577 -4.277 -9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 117 34.061 -3.148 -11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.349 -2.968 -11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.218 -1.610 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.722 -3.268 -8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.881 -1.734 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.486 -3.184 -7.565 1.00 0.00 H new ATOM 490 N ILE A 118 29.860 -4.163 -10.243 1.00 0.00 N ATOM 491 CA ILE A 118 28.805 -4.618 -11.140 1.00 0.00 C ATOM 492 C ILE A 118 27.527 -3.811 -10.883 1.00 0.00 C ATOM 493 O ILE A 118 26.878 -3.356 -11.823 1.00 0.00 O ATOM 494 CB ILE A 118 28.560 -6.124 -10.908 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.834 -6.921 -11.241 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.403 -6.607 -11.794 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.622 -8.408 -10.962 1.00 0.00 C ATOM 0 H ILE A 118 30.270 -4.906 -9.677 1.00 0.00 H new ATOM 0 HA ILE A 118 29.103 -4.465 -12.177 1.00 0.00 H new ATOM 0 HB ILE A 118 28.302 -6.283 -9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 118 30.098 -6.775 -12.288 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.669 -6.549 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.235 -7.671 -11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.498 -6.053 -11.545 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.653 -6.441 -12.842 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.532 -8.957 -11.203 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.381 -8.550 -9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.801 -8.780 -11.575 1.00 0.00 H new ATOM 509 N ALA A 119 27.171 -3.639 -9.601 1.00 0.00 N ATOM 510 CA ALA A 119 25.971 -2.906 -9.215 1.00 0.00 C ATOM 511 C ALA A 119 26.019 -1.472 -9.752 1.00 0.00 C ATOM 512 O ALA A 119 25.031 -0.985 -10.296 1.00 0.00 O ATOM 513 CB ALA A 119 25.849 -2.908 -7.690 1.00 0.00 C ATOM 0 H ALA A 119 27.707 -4.004 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 119 25.097 -3.394 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.953 -2.361 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.781 -3.935 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.726 -2.429 -7.254 1.00 0.00 H new ATOM 519 N LYS A 120 27.167 -0.797 -9.598 1.00 0.00 N ATOM 520 CA LYS A 120 27.325 0.580 -10.060 1.00 0.00 C ATOM 521 C LYS A 120 27.145 0.676 -11.580 1.00 0.00 C ATOM 522 O LYS A 120 26.842 1.753 -12.091 1.00 0.00 O ATOM 523 CB LYS A 120 28.708 1.103 -9.654 1.00 0.00 C ATOM 524 CG LYS A 120 28.683 1.556 -8.189 1.00 0.00 C ATOM 525 CD LYS A 120 29.987 2.286 -7.839 1.00 0.00 C ATOM 526 CE LYS A 120 31.176 1.321 -7.925 1.00 0.00 C ATOM 527 NZ LYS A 120 32.407 1.954 -7.418 1.00 0.00 N ATOM 0 H LYS A 120 27.999 -1.188 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 120 26.555 1.194 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.456 0.322 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.995 1.935 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.832 2.215 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.554 0.693 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.138 3.122 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.920 2.703 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.961 0.421 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.322 1.009 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.197 1.281 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.622 2.799 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.272 2.229 -6.424 1.00 0.00 H new ATOM 541 N HIS A 121 27.330 -0.438 -12.302 1.00 0.00 N ATOM 542 CA HIS A 121 27.196 -0.446 -13.753 1.00 0.00 C ATOM 543 C HIS A 121 25.778 -0.854 -14.152 1.00 0.00 C ATOM 544 O HIS A 121 25.431 -0.802 -15.332 1.00 0.00 O ATOM 545 CB HIS A 121 28.232 -1.399 -14.347 1.00 0.00 C ATOM 546 CG HIS A 121 29.632 -1.045 -13.925 1.00 0.00 C ATOM 547 ND1 HIS A 121 30.074 0.269 -13.812 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.710 -1.808 -13.568 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.356 0.213 -13.406 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.806 -1.028 -13.238 1.00 0.00 N ATOM 0 H HIS A 121 27.573 -1.343 -11.898 1.00 0.00 H new ATOM 0 HA HIS A 121 27.374 0.556 -14.144 1.00 0.00 H new ATOM 0 HB2 HIS A 121 28.007 -2.419 -14.036 1.00 0.00 H new ATOM 0 HB3 HIS A 121 28.164 -1.375 -15.435 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.531 1.112 -14.000 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.707 -2.888 -13.546 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.961 1.091 -13.233 1.00 0.00 H new ATOM 558 N LEU A 122 24.960 -1.251 -13.167 1.00 0.00 N ATOM 559 CA LEU A 122 23.584 -1.640 -13.405 1.00 0.00 C ATOM 560 C LEU A 122 22.674 -0.757 -12.556 1.00 0.00 C ATOM 561 O LEU A 122 22.104 -1.209 -11.564 1.00 0.00 O ATOM 562 CB LEU A 122 23.418 -3.129 -13.064 1.00 0.00 C ATOM 563 CG LEU A 122 22.051 -3.653 -13.524 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.816 -3.342 -15.006 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.028 -5.162 -13.323 1.00 0.00 C ATOM 0 H LEU A 122 25.243 -1.308 -12.189 1.00 0.00 H new ATOM 0 HA LEU A 122 23.312 -1.504 -14.452 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.211 -3.705 -13.541 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.523 -3.273 -11.989 1.00 0.00 H new ATOM 0 HG LEU A 122 21.267 -3.168 -12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.841 -3.724 -15.308 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.848 -2.264 -15.161 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.593 -3.817 -15.605 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.064 -5.557 -13.644 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.822 -5.620 -13.913 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.181 -5.391 -12.268 1.00 0.00 H new ATOM 577 N LYS A 123 22.551 0.517 -12.957 1.00 0.00 N ATOM 578 CA LYS A 123 21.729 1.485 -12.246 1.00 0.00 C ATOM 579 C LYS A 123 20.301 0.961 -12.129 1.00 0.00 C ATOM 580 O LYS A 123 19.559 0.949 -13.111 1.00 0.00 O ATOM 581 CB LYS A 123 21.758 2.823 -12.993 1.00 0.00 C ATOM 582 CG LYS A 123 23.182 3.393 -12.982 1.00 0.00 C ATOM 583 CD LYS A 123 23.174 4.862 -13.431 1.00 0.00 C ATOM 584 CE LYS A 123 22.691 4.977 -14.884 1.00 0.00 C ATOM 585 NZ LYS A 123 21.234 5.207 -14.952 1.00 0.00 N ATOM 0 H LYS A 123 23.019 0.896 -13.780 1.00 0.00 H new ATOM 0 HA LYS A 123 22.123 1.637 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.420 2.684 -14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.071 3.527 -12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.604 3.315 -11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.820 2.807 -13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.524 5.445 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.176 5.282 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.213 5.796 -15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.942 4.065 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.797 4.489 -15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.827 5.141 -13.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.050 6.153 -15.342 1.00 0.00 H new ATOM 599 N GLY A 124 19.929 0.523 -10.922 1.00 0.00 N ATOM 600 CA GLY A 124 18.611 -0.029 -10.660 1.00 0.00 C ATOM 601 C GLY A 124 18.733 -1.250 -9.751 1.00 0.00 C ATOM 602 O GLY A 124 17.792 -1.580 -9.031 1.00 0.00 O ATOM 0 H GLY A 124 20.538 0.544 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.978 0.724 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.131 -0.309 -11.598 1.00 0.00 H new ATOM 606 N ARG A 125 19.900 -1.919 -9.790 1.00 0.00 N ATOM 607 CA ARG A 125 20.154 -3.099 -8.978 1.00 0.00 C ATOM 608 C ARG A 125 21.306 -2.824 -8.019 1.00 0.00 C ATOM 609 O ARG A 125 22.450 -2.670 -8.446 1.00 0.00 O ATOM 610 CB ARG A 125 20.490 -4.287 -9.886 1.00 0.00 C ATOM 611 CG ARG A 125 19.313 -4.607 -10.813 1.00 0.00 C ATOM 612 CD ARG A 125 18.191 -5.305 -10.038 1.00 0.00 C ATOM 613 NE ARG A 125 17.058 -5.540 -10.920 1.00 0.00 N ATOM 614 CZ ARG A 125 16.097 -6.452 -10.702 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.958 -7.019 -9.502 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.272 -6.791 -11.694 1.00 0.00 N ATOM 0 H ARG A 125 20.683 -1.650 -10.386 1.00 0.00 H new ATOM 0 HA ARG A 125 19.263 -3.340 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.376 -4.059 -10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.729 -5.160 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.936 -3.688 -11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.650 -5.245 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.550 -6.251 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.884 -4.691 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 125 16.989 -4.971 -11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.585 -6.761 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.225 -7.711 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.373 -6.358 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.540 -7.483 -11.535 1.00 0.00 H new ATOM 630 N ILE A 126 21.001 -2.766 -6.719 1.00 0.00 N ATOM 631 CA ILE A 126 22.009 -2.527 -5.696 1.00 0.00 C ATOM 632 C ILE A 126 22.807 -3.812 -5.448 1.00 0.00 C ATOM 633 O ILE A 126 22.595 -4.821 -6.126 1.00 0.00 O ATOM 634 CB ILE A 126 21.328 -2.033 -4.405 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.292 -3.064 -3.922 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.639 -0.690 -4.675 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.901 -2.770 -2.472 1.00 0.00 C ATOM 0 H ILE A 126 20.056 -2.883 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 126 22.703 -1.756 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 126 22.082 -1.906 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.409 -3.031 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.704 -4.070 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.157 -0.339 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.380 0.041 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.890 -0.816 -5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.168 -3.504 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.786 -2.826 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.471 -1.771 -2.407 1.00 0.00 H new ATOM 649 N GLY A 127 23.726 -3.772 -4.470 1.00 0.00 N ATOM 650 CA GLY A 127 24.552 -4.922 -4.127 1.00 0.00 C ATOM 651 C GLY A 127 23.746 -5.938 -3.317 1.00 0.00 C ATOM 652 O GLY A 127 24.092 -6.242 -2.177 1.00 0.00 O ATOM 0 H GLY A 127 23.910 -2.944 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.929 -5.390 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.419 -4.596 -3.553 1.00 0.00 H new ATOM 656 N LYS A 128 22.671 -6.460 -3.915 1.00 0.00 N ATOM 657 CA LYS A 128 21.814 -7.445 -3.275 1.00 0.00 C ATOM 658 C LYS A 128 20.980 -8.142 -4.345 1.00 0.00 C ATOM 659 O LYS A 128 20.907 -9.367 -4.373 1.00 0.00 O ATOM 660 CB LYS A 128 20.913 -6.759 -2.239 1.00 0.00 C ATOM 661 CG LYS A 128 20.204 -7.824 -1.391 1.00 0.00 C ATOM 662 CD LYS A 128 19.421 -7.159 -0.252 1.00 0.00 C ATOM 663 CE LYS A 128 18.140 -6.517 -0.796 1.00 0.00 C ATOM 664 NZ LYS A 128 17.320 -5.963 0.297 1.00 0.00 N ATOM 0 H LYS A 128 22.376 -6.207 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 128 22.420 -8.188 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.508 -6.107 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.178 -6.130 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.527 -8.406 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.936 -8.520 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.171 -7.899 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.039 -6.402 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.397 -5.725 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.563 -7.259 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.459 -5.534 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.057 -6.725 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.865 -5.238 0.807 1.00 0.00 H new ATOM 678 N GLN A 129 20.358 -7.353 -5.231 1.00 0.00 N ATOM 679 CA GLN A 129 19.551 -7.893 -6.316 1.00 0.00 C ATOM 680 C GLN A 129 20.464 -8.655 -7.271 1.00 0.00 C ATOM 681 O GLN A 129 20.207 -9.813 -7.594 1.00 0.00 O ATOM 682 CB GLN A 129 18.826 -6.755 -7.044 1.00 0.00 C ATOM 683 CG GLN A 129 18.107 -5.858 -6.034 1.00 0.00 C ATOM 684 CD GLN A 129 17.242 -4.820 -6.717 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.595 -3.648 -6.759 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.109 -5.248 -7.251 1.00 0.00 N ATOM 0 H GLN A 129 20.403 -6.334 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 129 18.797 -8.574 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.541 -6.167 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.107 -7.166 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.489 -6.472 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.843 -5.359 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 129 15.857 -6.235 -7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.487 -4.591 -7.723 1.00 0.00 H new ATOM 695 N CYS A 130 21.541 -7.992 -7.708 1.00 0.00 N ATOM 696 CA CYS A 130 22.547 -8.610 -8.572 1.00 0.00 C ATOM 697 C CYS A 130 23.032 -9.916 -7.944 1.00 0.00 C ATOM 698 O CYS A 130 23.032 -10.961 -8.597 1.00 0.00 O ATOM 699 CB CYS A 130 23.729 -7.651 -8.755 1.00 0.00 C ATOM 700 SG CYS A 130 23.209 -6.252 -9.774 1.00 0.00 S ATOM 0 H CYS A 130 21.737 -7.019 -7.473 1.00 0.00 H new ATOM 0 HA CYS A 130 22.105 -8.823 -9.545 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.080 -7.299 -7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.563 -8.170 -9.227 1.00 0.00 H new ATOM 0 HG CYS A 130 24.207 -5.434 -9.930 1.00 0.00 H new ATOM 706 N ARG A 131 23.446 -9.847 -6.670 1.00 0.00 N ATOM 707 CA ARG A 131 23.936 -11.008 -5.945 1.00 0.00 C ATOM 708 C ARG A 131 22.896 -12.124 -5.978 1.00 0.00 C ATOM 709 O ARG A 131 23.228 -13.261 -6.274 1.00 0.00 O ATOM 710 CB ARG A 131 24.253 -10.606 -4.500 1.00 0.00 C ATOM 711 CG ARG A 131 24.889 -11.786 -3.748 1.00 0.00 C ATOM 712 CD ARG A 131 24.351 -11.834 -2.320 1.00 0.00 C ATOM 713 NE ARG A 131 24.994 -12.908 -1.549 1.00 0.00 N ATOM 714 CZ ARG A 131 24.624 -14.200 -1.628 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.636 -14.574 -2.454 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.245 -15.118 -0.876 1.00 0.00 N ATOM 0 H ARG A 131 23.447 -8.986 -6.124 1.00 0.00 H new ATOM 0 HA ARG A 131 24.846 -11.377 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.931 -9.753 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.340 -10.292 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.666 -12.721 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.974 -11.680 -3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.525 -10.876 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.273 -11.991 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 131 25.760 -12.662 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.160 -13.878 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.361 -15.555 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.996 -14.837 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.967 -16.098 -0.934 1.00 0.00 H new ATOM 730 N GLU A 132 21.640 -11.796 -5.668 1.00 0.00 N ATOM 731 CA GLU A 132 20.568 -12.776 -5.657 1.00 0.00 C ATOM 732 C GLU A 132 20.476 -13.461 -7.019 1.00 0.00 C ATOM 733 O GLU A 132 20.708 -14.659 -7.119 1.00 0.00 O ATOM 734 CB GLU A 132 19.254 -12.071 -5.294 1.00 0.00 C ATOM 735 CG GLU A 132 18.114 -13.086 -5.196 1.00 0.00 C ATOM 736 CD GLU A 132 16.801 -12.385 -4.870 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.394 -11.533 -5.691 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.232 -12.710 -3.807 1.00 0.00 O ATOM 0 H GLU A 132 21.346 -10.851 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 132 20.768 -13.546 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.365 -11.547 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.017 -11.320 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.020 -13.628 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.341 -13.823 -4.425 1.00 0.00 H new ATOM 745 N ARG A 133 20.139 -12.695 -8.063 1.00 0.00 N ATOM 746 CA ARG A 133 19.989 -13.225 -9.415 1.00 0.00 C ATOM 747 C ARG A 133 21.108 -14.213 -9.741 1.00 0.00 C ATOM 748 O ARG A 133 20.843 -15.306 -10.247 1.00 0.00 O ATOM 749 CB ARG A 133 20.002 -12.047 -10.404 1.00 0.00 C ATOM 750 CG ARG A 133 19.744 -12.526 -11.841 1.00 0.00 C ATOM 751 CD ARG A 133 18.336 -13.115 -11.960 1.00 0.00 C ATOM 752 NE ARG A 133 17.918 -13.206 -13.367 1.00 0.00 N ATOM 753 CZ ARG A 133 16.716 -13.676 -13.752 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.844 -14.107 -12.843 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.393 -13.710 -15.048 1.00 0.00 N ATOM 0 H ARG A 133 19.964 -11.693 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 133 19.045 -13.765 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.242 -11.320 -10.118 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.964 -11.538 -10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.857 -11.693 -12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.484 -13.276 -12.120 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.313 -14.106 -11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.631 -12.494 -11.407 1.00 0.00 H new ATOM 0 HE ARG A 133 18.571 -12.898 -14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.086 -14.082 -11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.934 -14.462 -13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.057 -13.380 -15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.482 -14.066 -15.337 1.00 0.00 H new ATOM 769 N TRP A 134 22.355 -13.826 -9.458 1.00 0.00 N ATOM 770 CA TRP A 134 23.501 -14.654 -9.780 1.00 0.00 C ATOM 771 C TRP A 134 23.575 -15.898 -8.889 1.00 0.00 C ATOM 772 O TRP A 134 23.685 -17.013 -9.396 1.00 0.00 O ATOM 773 CB TRP A 134 24.781 -13.823 -9.678 1.00 0.00 C ATOM 774 CG TRP A 134 25.884 -14.360 -10.518 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.947 -15.064 -10.089 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.027 -14.276 -11.957 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.745 -15.432 -11.146 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.215 -14.971 -12.339 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.265 -13.689 -12.990 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.615 -15.079 -13.671 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.663 -13.796 -14.329 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.828 -14.494 -14.671 1.00 0.00 C ATOM 0 H TRP A 134 22.588 -12.942 -9.006 1.00 0.00 H new ATOM 0 HA TRP A 134 23.389 -15.010 -10.804 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.568 -12.797 -9.978 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.105 -13.790 -8.638 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.146 -15.307 -9.056 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.608 -15.970 -11.063 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.362 -13.150 -12.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.521 -15.608 -13.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.067 -13.337 -15.104 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.120 -14.581 -15.707 1.00 0.00 H new ATOM 793 N HIS A 135 23.522 -15.713 -7.567 1.00 0.00 N ATOM 794 CA HIS A 135 23.635 -16.819 -6.618 1.00 0.00 C ATOM 795 C HIS A 135 22.306 -17.581 -6.479 1.00 0.00 C ATOM 796 O HIS A 135 22.045 -18.172 -5.433 1.00 0.00 O ATOM 797 CB HIS A 135 24.088 -16.267 -5.261 1.00 0.00 C ATOM 798 CG HIS A 135 25.520 -15.790 -5.270 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.560 -16.542 -4.735 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.119 -14.646 -5.737 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.688 -15.823 -4.906 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.488 -14.653 -5.511 1.00 0.00 N ATOM 0 H HIS A 135 23.401 -14.800 -7.129 1.00 0.00 H new ATOM 0 HA HIS A 135 24.373 -17.529 -6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.437 -15.441 -4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.973 -17.041 -4.503 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.484 -17.460 -4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.589 -13.839 -6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.661 -16.163 -4.583 1.00 0.00 H new ATOM 810 N ASN A 136 21.474 -17.578 -7.532 1.00 0.00 N ATOM 811 CA ASN A 136 20.208 -18.307 -7.532 1.00 0.00 C ATOM 812 C ASN A 136 20.098 -19.116 -8.801 1.00 0.00 C ATOM 813 O ASN A 136 20.152 -20.344 -8.772 1.00 0.00 O ATOM 814 CB ASN A 136 19.024 -17.337 -7.456 1.00 0.00 C ATOM 815 CG ASN A 136 18.686 -17.006 -6.020 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.641 -17.406 -5.515 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.568 -16.278 -5.364 1.00 0.00 N ATOM 0 H ASN A 136 21.663 -17.073 -8.398 1.00 0.00 H new ATOM 0 HA ASN A 136 20.185 -18.962 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.264 -16.422 -7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.156 -17.778 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.396 -16.023 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.422 -15.970 -5.829 1.00 0.00 H new ATOM 824 N HIS A 137 19.921 -18.414 -9.916 1.00 0.00 N ATOM 825 CA HIS A 137 19.720 -19.061 -11.208 1.00 0.00 C ATOM 826 C HIS A 137 20.391 -18.285 -12.347 1.00 0.00 C ATOM 827 O HIS A 137 19.747 -17.966 -13.341 1.00 0.00 O ATOM 828 CB HIS A 137 18.209 -19.199 -11.446 1.00 0.00 C ATOM 829 CG HIS A 137 17.448 -17.957 -11.065 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.403 -17.970 -10.148 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.565 -16.646 -11.449 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.965 -16.701 -10.039 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.634 -15.840 -10.806 1.00 0.00 N ATOM 0 H HIS A 137 19.913 -17.395 -9.951 1.00 0.00 H new ATOM 0 HA HIS A 137 20.188 -20.046 -11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.029 -19.423 -12.498 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.830 -20.044 -10.871 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.038 -18.784 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.291 -16.285 -12.163 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.150 -16.409 -9.393 1.00 0.00 H new ATOM 841 N LEU A 138 21.692 -18.005 -12.212 1.00 0.00 N ATOM 842 CA LEU A 138 22.459 -17.346 -13.266 1.00 0.00 C ATOM 843 C LEU A 138 23.947 -17.528 -12.975 1.00 0.00 C ATOM 844 O LEU A 138 24.537 -16.751 -12.234 1.00 0.00 O ATOM 845 CB LEU A 138 22.087 -15.848 -13.362 1.00 0.00 C ATOM 846 CG LEU A 138 21.920 -15.431 -14.833 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.608 -15.975 -15.402 1.00 0.00 C ATOM 848 CD2 LEU A 138 21.908 -13.904 -14.931 1.00 0.00 C ATOM 0 H LEU A 138 22.235 -18.227 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 138 22.222 -17.797 -14.229 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.162 -15.661 -12.817 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.862 -15.243 -12.892 1.00 0.00 H new ATOM 0 HG LEU A 138 22.753 -15.839 -15.406 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.509 -15.669 -16.443 1.00 0.00 H new ATOM 0 HD12 LEU A 138 20.609 -17.063 -15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.771 -15.581 -14.826 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.790 -13.607 -15.973 1.00 0.00 H new ATOM 0 HD22 LEU A 138 21.079 -13.508 -14.345 1.00 0.00 H new ATOM 0 HD23 LEU A 138 22.847 -13.507 -14.545 1.00 0.00 H new