USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 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 113 LYS NZ :NH3+ 165:sc= 0.968 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 0.824 K(o=1.8,f=-3.5) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.26 X(o=0.26,f=-0.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.03) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 168:sc= -0.0369 (180deg=-0.274) USER MOD Single : A 121 HIS : no HE2:sc= -0.463 K(o=-0.46,f=-1.6) USER MOD Single : A 123 LYS NZ :NH3+ -114:sc= -0.202 (180deg=-1.1) USER MOD Single : A 128 LYS NZ :NH3+ 150:sc= 0.842 (180deg=0.0287) USER MOD Single : A 129 GLN : amide:sc= -0.159 K(o=-0.16,f=-5.1!) USER MOD Single : A 130 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 136 ASN : amide:sc= 1.1 K(o=1.1,f=-0.052) USER MOD Single : A 137 HIS : no HE2:sc= 0.0142 K(o=0.014,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.561 -9.020 -12.885 1.00 0.00 N ATOM 85 CA TRP A 95 14.655 -9.216 -13.835 1.00 0.00 C ATOM 86 C TRP A 95 14.138 -9.527 -15.249 1.00 0.00 C ATOM 87 O TRP A 95 12.980 -9.893 -15.439 1.00 0.00 O ATOM 88 CB TRP A 95 15.597 -10.313 -13.324 1.00 0.00 C ATOM 89 CG TRP A 95 16.514 -9.861 -12.233 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.265 -9.910 -10.913 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.833 -9.266 -12.355 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.318 -9.388 -10.195 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.325 -8.965 -11.046 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.666 -8.941 -13.442 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.572 -8.364 -10.837 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.918 -8.332 -13.239 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.369 -8.041 -11.939 1.00 0.00 C ATOM 0 HA TRP A 95 15.215 -8.284 -13.910 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.001 -11.151 -12.961 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.194 -10.684 -14.157 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.361 -10.306 -10.474 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.351 -9.322 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.339 -9.162 -14.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.915 -8.152 -9.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.538 -8.086 -14.088 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.329 -7.569 -11.792 1.00 0.00 H new ATOM 108 N THR A 96 15.024 -9.364 -16.243 1.00 0.00 N ATOM 109 CA THR A 96 14.704 -9.617 -17.644 1.00 0.00 C ATOM 110 C THR A 96 15.915 -10.265 -18.306 1.00 0.00 C ATOM 111 O THR A 96 17.029 -10.112 -17.821 1.00 0.00 O ATOM 112 CB THR A 96 14.350 -8.298 -18.355 1.00 0.00 C ATOM 113 OG1 THR A 96 15.516 -7.517 -18.512 1.00 0.00 O ATOM 114 CG2 THR A 96 13.319 -7.511 -17.542 1.00 0.00 C ATOM 0 H THR A 96 15.983 -9.052 -16.091 1.00 0.00 H new ATOM 0 HA THR A 96 13.843 -10.282 -17.714 1.00 0.00 H new ATOM 0 HB THR A 96 13.927 -8.531 -19.332 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.289 -6.679 -18.966 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.080 -6.582 -18.059 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.413 -8.107 -17.429 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.728 -7.284 -16.558 1.00 0.00 H new ATOM 122 N LYS A 97 15.701 -10.985 -19.413 1.00 0.00 N ATOM 123 CA LYS A 97 16.790 -11.652 -20.120 1.00 0.00 C ATOM 124 C LYS A 97 17.839 -10.626 -20.572 1.00 0.00 C ATOM 125 O LYS A 97 19.024 -10.942 -20.649 1.00 0.00 O ATOM 126 CB LYS A 97 16.220 -12.427 -21.316 1.00 0.00 C ATOM 127 CG LYS A 97 17.240 -13.466 -21.814 1.00 0.00 C ATOM 128 CD LYS A 97 16.910 -14.859 -21.251 1.00 0.00 C ATOM 129 CE LYS A 97 17.107 -14.881 -19.729 1.00 0.00 C ATOM 130 NZ LYS A 97 17.052 -16.257 -19.206 1.00 0.00 N ATOM 0 H LYS A 97 14.782 -11.118 -19.835 1.00 0.00 H new ATOM 0 HA LYS A 97 17.283 -12.357 -19.451 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.294 -12.925 -21.027 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.972 -11.736 -22.121 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.234 -13.497 -22.904 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.245 -13.173 -21.509 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.881 -15.122 -21.495 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.550 -15.608 -21.718 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.067 -14.431 -19.477 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.337 -14.276 -19.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.188 -16.242 -18.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.126 -16.676 -19.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.803 -16.826 -19.646 1.00 0.00 H new ATOM 144 N GLU A 98 17.399 -9.399 -20.861 1.00 0.00 N ATOM 145 CA GLU A 98 18.293 -8.330 -21.277 1.00 0.00 C ATOM 146 C GLU A 98 19.215 -7.962 -20.113 1.00 0.00 C ATOM 147 O GLU A 98 20.436 -7.920 -20.269 1.00 0.00 O ATOM 148 CB GLU A 98 17.447 -7.129 -21.730 1.00 0.00 C ATOM 149 CG GLU A 98 18.337 -5.903 -21.991 1.00 0.00 C ATOM 150 CD GLU A 98 18.533 -5.068 -20.725 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.530 -4.873 -20.006 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.687 -4.637 -20.504 1.00 0.00 O ATOM 0 H GLU A 98 16.418 -9.125 -20.812 1.00 0.00 H new ATOM 0 HA GLU A 98 18.917 -8.648 -22.112 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.899 -7.386 -22.636 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.707 -6.891 -20.966 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.307 -6.230 -22.365 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.887 -5.285 -22.769 1.00 0.00 H new ATOM 159 N GLU A 99 18.623 -7.702 -18.946 1.00 0.00 N ATOM 160 CA GLU A 99 19.375 -7.341 -17.755 1.00 0.00 C ATOM 161 C GLU A 99 20.253 -8.529 -17.330 1.00 0.00 C ATOM 162 O GLU A 99 21.355 -8.337 -16.818 1.00 0.00 O ATOM 163 CB GLU A 99 18.383 -6.941 -16.651 1.00 0.00 C ATOM 164 CG GLU A 99 18.605 -5.479 -16.251 1.00 0.00 C ATOM 165 CD GLU A 99 19.785 -5.345 -15.305 1.00 0.00 C ATOM 166 OE1 GLU A 99 20.909 -5.189 -15.822 1.00 0.00 O ATOM 167 OE2 GLU A 99 19.535 -5.401 -14.078 1.00 0.00 O ATOM 0 H GLU A 99 17.613 -7.737 -18.806 1.00 0.00 H new ATOM 0 HA GLU A 99 20.033 -6.494 -17.950 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.360 -7.079 -17.002 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.512 -7.588 -15.783 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.780 -4.877 -17.143 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.706 -5.089 -15.774 1.00 0.00 H new ATOM 174 N ASP A 100 19.768 -9.763 -17.557 1.00 0.00 N ATOM 175 CA ASP A 100 20.530 -10.965 -17.236 1.00 0.00 C ATOM 176 C ASP A 100 21.777 -11.017 -18.112 1.00 0.00 C ATOM 177 O ASP A 100 22.871 -11.261 -17.616 1.00 0.00 O ATOM 178 CB ASP A 100 19.672 -12.219 -17.461 1.00 0.00 C ATOM 179 CG ASP A 100 18.466 -12.259 -16.544 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.508 -11.573 -15.504 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.513 -12.984 -16.901 1.00 0.00 O ATOM 0 H ASP A 100 18.850 -9.945 -17.962 1.00 0.00 H new ATOM 0 HA ASP A 100 20.823 -10.935 -16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.339 -12.248 -18.498 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.281 -13.108 -17.297 1.00 0.00 H new ATOM 186 N GLN A 101 21.608 -10.779 -19.421 1.00 0.00 N ATOM 187 CA GLN A 101 22.724 -10.766 -20.355 1.00 0.00 C ATOM 188 C GLN A 101 23.746 -9.725 -19.903 1.00 0.00 C ATOM 189 O GLN A 101 24.955 -9.954 -19.989 1.00 0.00 O ATOM 190 CB GLN A 101 22.203 -10.461 -21.768 1.00 0.00 C ATOM 191 CG GLN A 101 23.358 -10.448 -22.780 1.00 0.00 C ATOM 192 CD GLN A 101 24.065 -11.800 -22.837 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.646 -12.690 -23.571 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.139 -11.950 -22.061 1.00 0.00 N ATOM 0 H GLN A 101 20.702 -10.593 -19.850 1.00 0.00 H new ATOM 0 HA GLN A 101 23.212 -11.740 -20.375 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.466 -11.210 -22.059 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.696 -9.496 -21.774 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.975 -10.194 -23.768 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.074 -9.673 -22.507 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.450 -11.182 -21.467 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.649 -12.833 -22.062 1.00 0.00 H new ATOM 203 N ARG A 102 23.254 -8.584 -19.411 1.00 0.00 N ATOM 204 CA ARG A 102 24.108 -7.523 -18.917 1.00 0.00 C ATOM 205 C ARG A 102 24.938 -8.043 -17.738 1.00 0.00 C ATOM 206 O ARG A 102 26.153 -7.858 -17.707 1.00 0.00 O ATOM 207 CB ARG A 102 23.232 -6.334 -18.505 1.00 0.00 C ATOM 208 CG ARG A 102 24.031 -5.033 -18.597 1.00 0.00 C ATOM 209 CD ARG A 102 23.081 -3.843 -18.429 1.00 0.00 C ATOM 210 NE ARG A 102 22.146 -3.749 -19.561 1.00 0.00 N ATOM 211 CZ ARG A 102 22.453 -3.168 -20.732 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.673 -2.649 -20.937 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.533 -3.112 -21.699 1.00 0.00 N ATOM 0 H ARG A 102 22.257 -8.380 -19.348 1.00 0.00 H new ATOM 0 HA ARG A 102 24.798 -7.193 -19.694 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.356 -6.278 -19.151 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.869 -6.476 -17.487 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.801 -5.010 -17.826 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.541 -4.973 -19.558 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.522 -3.948 -17.499 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.658 -2.921 -18.352 1.00 0.00 H new ATOM 0 HE ARG A 102 21.213 -4.147 -19.450 1.00 0.00 H new ATOM 0 HH11 ARG A 102 24.377 -2.694 -20.200 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.897 -2.210 -21.830 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.606 -3.509 -21.545 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.757 -2.673 -22.592 1.00 0.00 H new ATOM 227 N VAL A 103 24.278 -8.703 -16.774 1.00 0.00 N ATOM 228 CA VAL A 103 24.960 -9.263 -15.611 1.00 0.00 C ATOM 229 C VAL A 103 25.998 -10.289 -16.060 1.00 0.00 C ATOM 230 O VAL A 103 27.118 -10.278 -15.567 1.00 0.00 O ATOM 231 CB VAL A 103 23.934 -9.899 -14.660 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.635 -10.840 -13.673 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.224 -8.800 -13.875 1.00 0.00 C ATOM 0 H VAL A 103 23.270 -8.859 -16.783 1.00 0.00 H new ATOM 0 HA VAL A 103 25.476 -8.466 -15.076 1.00 0.00 H new ATOM 0 HB VAL A 103 23.214 -10.467 -15.249 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.896 -11.283 -13.006 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.146 -11.629 -14.224 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.362 -10.277 -13.087 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.495 -9.248 -13.199 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.955 -8.235 -13.297 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.713 -8.130 -14.567 1.00 0.00 H new ATOM 243 N ILE A 104 25.625 -11.175 -16.995 1.00 0.00 N ATOM 244 CA ILE A 104 26.537 -12.195 -17.500 1.00 0.00 C ATOM 245 C ILE A 104 27.824 -11.530 -17.991 1.00 0.00 C ATOM 246 O ILE A 104 28.917 -11.946 -17.614 1.00 0.00 O ATOM 247 CB ILE A 104 25.854 -12.989 -18.634 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.828 -13.964 -18.036 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.908 -13.775 -19.430 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.931 -14.542 -19.135 1.00 0.00 C ATOM 0 H ILE A 104 24.695 -11.200 -17.413 1.00 0.00 H new ATOM 0 HA ILE A 104 26.792 -12.892 -16.702 1.00 0.00 H new ATOM 0 HB ILE A 104 25.346 -12.293 -19.302 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.345 -14.772 -17.518 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.218 -13.449 -17.294 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.419 -14.333 -20.229 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.630 -13.082 -19.861 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.423 -14.469 -18.765 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.211 -15.230 -18.692 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.399 -13.732 -19.634 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.544 -15.076 -19.862 1.00 0.00 H new ATOM 262 N GLU A 105 27.690 -10.497 -18.833 1.00 0.00 N ATOM 263 CA GLU A 105 28.841 -9.796 -19.381 1.00 0.00 C ATOM 264 C GLU A 105 29.677 -9.179 -18.257 1.00 0.00 C ATOM 265 O GLU A 105 30.878 -9.422 -18.174 1.00 0.00 O ATOM 266 CB GLU A 105 28.363 -8.710 -20.351 1.00 0.00 C ATOM 267 CG GLU A 105 29.554 -8.184 -21.166 1.00 0.00 C ATOM 268 CD GLU A 105 29.353 -6.725 -21.557 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.228 -6.401 -21.991 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.335 -5.961 -21.410 1.00 0.00 O ATOM 0 H GLU A 105 26.790 -10.133 -19.146 1.00 0.00 H new ATOM 0 HA GLU A 105 29.469 -10.506 -19.920 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.603 -9.115 -21.019 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.899 -7.893 -19.798 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.470 -8.284 -20.583 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.680 -8.790 -22.063 1.00 0.00 H new ATOM 277 N LEU A 106 29.040 -8.372 -17.399 1.00 0.00 N ATOM 278 CA LEU A 106 29.735 -7.690 -16.313 1.00 0.00 C ATOM 279 C LEU A 106 30.484 -8.696 -15.434 1.00 0.00 C ATOM 280 O LEU A 106 31.640 -8.470 -15.091 1.00 0.00 O ATOM 281 CB LEU A 106 28.725 -6.887 -15.481 1.00 0.00 C ATOM 282 CG LEU A 106 28.138 -5.732 -16.315 1.00 0.00 C ATOM 283 CD1 LEU A 106 26.867 -5.216 -15.641 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.146 -4.586 -16.416 1.00 0.00 C ATOM 0 H LEU A 106 28.039 -8.178 -17.441 1.00 0.00 H new ATOM 0 HA LEU A 106 30.470 -7.005 -16.736 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.923 -7.542 -15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.212 -6.490 -14.591 1.00 0.00 H new ATOM 0 HG LEU A 106 27.910 -6.100 -17.315 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.450 -4.399 -16.229 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.138 -6.023 -15.573 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.106 -4.857 -14.640 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.719 -3.777 -17.008 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.382 -4.220 -15.417 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.057 -4.944 -16.895 1.00 0.00 H new ATOM 296 N VAL A 107 29.830 -9.803 -15.074 1.00 0.00 N ATOM 297 CA VAL A 107 30.444 -10.827 -14.238 1.00 0.00 C ATOM 298 C VAL A 107 31.604 -11.483 -14.981 1.00 0.00 C ATOM 299 O VAL A 107 32.638 -11.742 -14.390 1.00 0.00 O ATOM 300 CB VAL A 107 29.388 -11.867 -13.832 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.068 -13.171 -13.409 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.573 -11.326 -12.658 1.00 0.00 C ATOM 0 H VAL A 107 28.871 -10.010 -15.352 1.00 0.00 H new ATOM 0 HA VAL A 107 30.840 -10.367 -13.332 1.00 0.00 H new ATOM 0 HB VAL A 107 28.736 -12.062 -14.683 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.310 -13.901 -13.123 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.653 -13.563 -14.241 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.726 -12.980 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.822 -12.061 -12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.235 -11.130 -11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.079 -10.401 -12.954 1.00 0.00 H new ATOM 312 N GLN A 108 31.440 -11.751 -16.274 1.00 0.00 N ATOM 313 CA GLN A 108 32.496 -12.368 -17.061 1.00 0.00 C ATOM 314 C GLN A 108 33.675 -11.393 -17.215 1.00 0.00 C ATOM 315 O GLN A 108 34.809 -11.819 -17.417 1.00 0.00 O ATOM 316 CB GLN A 108 31.930 -12.777 -18.426 1.00 0.00 C ATOM 317 CG GLN A 108 32.904 -13.720 -19.137 1.00 0.00 C ATOM 318 CD GLN A 108 32.275 -14.290 -20.404 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.575 -13.837 -21.505 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.401 -15.285 -20.247 1.00 0.00 N ATOM 0 H GLN A 108 30.587 -11.550 -16.795 1.00 0.00 H new ATOM 0 HA GLN A 108 32.866 -13.260 -16.555 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.965 -13.268 -18.296 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.757 -11.891 -19.037 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.819 -13.184 -19.389 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.185 -14.533 -18.467 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.183 -15.629 -19.312 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.951 -15.702 -21.062 1.00 0.00 H new ATOM 329 N LYS A 109 33.396 -10.083 -17.120 1.00 0.00 N ATOM 330 CA LYS A 109 34.411 -9.051 -17.272 1.00 0.00 C ATOM 331 C LYS A 109 35.170 -8.828 -15.954 1.00 0.00 C ATOM 332 O LYS A 109 36.377 -9.048 -15.890 1.00 0.00 O ATOM 333 CB LYS A 109 33.724 -7.757 -17.733 1.00 0.00 C ATOM 334 CG LYS A 109 34.758 -6.791 -18.322 1.00 0.00 C ATOM 335 CD LYS A 109 34.179 -5.367 -18.386 1.00 0.00 C ATOM 336 CE LYS A 109 32.806 -5.360 -19.077 1.00 0.00 C ATOM 337 NZ LYS A 109 32.870 -5.960 -20.422 1.00 0.00 N ATOM 0 H LYS A 109 32.461 -9.720 -16.936 1.00 0.00 H new ATOM 0 HA LYS A 109 35.143 -9.364 -18.016 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.963 -7.986 -18.479 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.214 -7.287 -16.892 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.661 -6.797 -17.712 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.046 -7.120 -19.321 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.085 -4.964 -17.378 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.865 -4.716 -18.927 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.089 -5.909 -18.467 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.442 -4.335 -19.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.988 -5.758 -20.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.674 -5.557 -20.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.994 -6.989 -20.337 1.00 0.00 H new ATOM 351 N TYR A 110 34.459 -8.377 -14.911 1.00 0.00 N ATOM 352 CA TYR A 110 35.067 -8.067 -13.617 1.00 0.00 C ATOM 353 C TYR A 110 35.262 -9.327 -12.775 1.00 0.00 C ATOM 354 O TYR A 110 36.102 -9.343 -11.876 1.00 0.00 O ATOM 355 CB TYR A 110 34.167 -7.080 -12.869 1.00 0.00 C ATOM 356 CG TYR A 110 33.977 -5.767 -13.596 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.063 -4.888 -13.755 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.715 -5.423 -14.110 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.886 -3.668 -14.430 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.540 -4.205 -14.783 1.00 0.00 C ATOM 361 CZ TYR A 110 33.624 -3.327 -14.944 1.00 0.00 C ATOM 362 OH TYR A 110 33.451 -2.145 -15.600 1.00 0.00 O ATOM 0 H TYR A 110 33.452 -8.219 -14.944 1.00 0.00 H new ATOM 0 HA TYR A 110 36.049 -7.628 -13.791 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.193 -7.540 -12.706 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.595 -6.883 -11.886 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.033 -5.150 -13.359 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.880 -6.097 -13.987 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.720 -2.993 -14.553 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.570 -3.942 -15.178 1.00 0.00 H new ATOM 0 HH TYR A 110 32.519 -2.066 -15.892 1.00 0.00 H new ATOM 372 N GLY A 111 34.480 -10.372 -13.053 1.00 0.00 N ATOM 373 CA GLY A 111 34.535 -11.613 -12.297 1.00 0.00 C ATOM 374 C GLY A 111 33.370 -11.653 -11.304 1.00 0.00 C ATOM 375 O GLY A 111 32.735 -10.627 -11.057 1.00 0.00 O ATOM 0 H GLY A 111 33.794 -10.376 -13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.481 -12.467 -12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.484 -11.687 -11.765 1.00 0.00 H new ATOM 379 N PRO A 112 33.086 -12.834 -10.730 1.00 0.00 N ATOM 380 CA PRO A 112 32.015 -13.004 -9.767 1.00 0.00 C ATOM 381 C PRO A 112 32.275 -12.159 -8.516 1.00 0.00 C ATOM 382 O PRO A 112 33.391 -11.682 -8.305 1.00 0.00 O ATOM 383 CB PRO A 112 31.988 -14.501 -9.439 1.00 0.00 C ATOM 384 CG PRO A 112 33.236 -15.114 -10.083 1.00 0.00 C ATOM 385 CD PRO A 112 33.816 -14.048 -11.012 1.00 0.00 C ATOM 0 HA PRO A 112 31.055 -12.672 -10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.990 -14.661 -8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.083 -14.967 -9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.962 -15.402 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.982 -16.016 -10.639 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.883 -13.913 -10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.703 -14.338 -12.057 1.00 0.00 H new ATOM 393 N LYS A 113 31.231 -11.982 -7.689 1.00 0.00 N ATOM 394 CA LYS A 113 31.313 -11.189 -6.461 1.00 0.00 C ATOM 395 C LYS A 113 31.560 -9.718 -6.816 1.00 0.00 C ATOM 396 O LYS A 113 31.360 -9.318 -7.961 1.00 0.00 O ATOM 397 CB LYS A 113 32.406 -11.742 -5.522 1.00 0.00 C ATOM 398 CG LYS A 113 32.268 -13.266 -5.356 1.00 0.00 C ATOM 399 CD LYS A 113 30.926 -13.613 -4.692 1.00 0.00 C ATOM 400 CE LYS A 113 30.798 -15.133 -4.541 1.00 0.00 C ATOM 401 NZ LYS A 113 30.407 -15.764 -5.817 1.00 0.00 N ATOM 0 H LYS A 113 30.310 -12.386 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 113 30.367 -11.258 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.391 -11.504 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.333 -11.258 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.336 -13.752 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.090 -13.648 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.859 -13.135 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.102 -13.228 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.747 -15.549 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 113 30.057 -15.364 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 30.572 -16.789 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.399 -15.585 -5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 30.975 -15.363 -6.591 1.00 0.00 H new ATOM 415 N ARG A 114 31.982 -8.911 -5.825 1.00 0.00 N ATOM 416 CA ARG A 114 32.211 -7.479 -6.024 1.00 0.00 C ATOM 417 C ARG A 114 30.947 -6.848 -6.614 1.00 0.00 C ATOM 418 O ARG A 114 31.011 -6.055 -7.555 1.00 0.00 O ATOM 419 CB ARG A 114 33.430 -7.262 -6.933 1.00 0.00 C ATOM 420 CG ARG A 114 34.689 -7.791 -6.236 1.00 0.00 C ATOM 421 CD ARG A 114 35.902 -7.641 -7.161 1.00 0.00 C ATOM 422 NE ARG A 114 35.799 -8.525 -8.332 1.00 0.00 N ATOM 423 CZ ARG A 114 36.009 -9.854 -8.278 1.00 0.00 C ATOM 424 NH1 ARG A 114 36.254 -10.455 -7.105 1.00 0.00 N ATOM 425 NH2 ARG A 114 35.975 -10.577 -9.400 1.00 0.00 N ATOM 0 H ARG A 114 32.170 -9.234 -4.876 1.00 0.00 H new ATOM 0 HA ARG A 114 32.425 -6.997 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.284 -7.776 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.545 -6.202 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.858 -7.244 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.553 -8.839 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.983 -6.605 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.813 -7.872 -6.609 1.00 0.00 H new ATOM 0 HE ARG A 114 35.556 -8.110 -9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.282 -9.905 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 114 36.412 -11.462 -7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 114 35.790 -10.122 -10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 114 36.134 -11.584 -9.363 1.00 0.00 H new ATOM 439 N TRP A 115 29.794 -7.221 -6.048 1.00 0.00 N ATOM 440 CA TRP A 115 28.502 -6.751 -6.515 1.00 0.00 C ATOM 441 C TRP A 115 28.361 -5.245 -6.326 1.00 0.00 C ATOM 442 O TRP A 115 27.558 -4.619 -7.005 1.00 0.00 O ATOM 443 CB TRP A 115 27.408 -7.516 -5.773 1.00 0.00 C ATOM 444 CG TRP A 115 27.488 -8.994 -5.971 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.697 -9.913 -5.013 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.399 -9.745 -7.215 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.755 -11.177 -5.551 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.582 -11.132 -6.923 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.187 -9.397 -8.569 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.569 -12.112 -7.919 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.169 -10.383 -9.574 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.369 -11.732 -9.252 1.00 0.00 C ATOM 0 H TRP A 115 29.739 -7.858 -5.253 1.00 0.00 H new ATOM 0 HA TRP A 115 28.409 -6.939 -7.585 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.476 -7.294 -4.708 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.434 -7.163 -6.110 1.00 0.00 H new ATOM 0 HD1 TRP A 115 27.805 -9.689 -3.962 1.00 0.00 H new ATOM 0 HE1 TRP A 115 27.905 -12.030 -5.013 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.037 -8.361 -8.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.712 -13.152 -7.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 27.000 -10.097 -10.602 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.369 -12.479 -10.032 1.00 0.00 H new ATOM 463 N SER A 116 29.145 -4.660 -5.416 1.00 0.00 N ATOM 464 CA SER A 116 29.116 -3.225 -5.190 1.00 0.00 C ATOM 465 C SER A 116 29.503 -2.490 -6.478 1.00 0.00 C ATOM 466 O SER A 116 28.972 -1.420 -6.766 1.00 0.00 O ATOM 467 CB SER A 116 30.080 -2.875 -4.056 1.00 0.00 C ATOM 468 OG SER A 116 29.806 -3.690 -2.935 1.00 0.00 O ATOM 0 H SER A 116 29.806 -5.165 -4.826 1.00 0.00 H new ATOM 0 HA SER A 116 28.110 -2.914 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.110 -3.021 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.977 -1.823 -3.788 1.00 0.00 H new ATOM 0 HG SER A 116 30.425 -3.467 -2.209 1.00 0.00 H new ATOM 474 N VAL A 117 30.433 -3.072 -7.249 1.00 0.00 N ATOM 475 CA VAL A 117 30.904 -2.478 -8.493 1.00 0.00 C ATOM 476 C VAL A 117 29.910 -2.765 -9.619 1.00 0.00 C ATOM 477 O VAL A 117 29.493 -1.852 -10.328 1.00 0.00 O ATOM 478 CB VAL A 117 32.294 -3.048 -8.825 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.770 -2.513 -10.177 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.292 -2.637 -7.737 1.00 0.00 C ATOM 0 H VAL A 117 30.874 -3.964 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 117 30.982 -1.396 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 117 32.229 -4.135 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.755 -2.922 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.066 -2.810 -10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.829 -1.425 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.276 -3.042 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.349 -1.550 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 117 32.962 -3.027 -6.774 1.00 0.00 H new ATOM 490 N ILE A 118 29.535 -4.038 -9.783 1.00 0.00 N ATOM 491 CA ILE A 118 28.607 -4.446 -10.833 1.00 0.00 C ATOM 492 C ILE A 118 27.284 -3.677 -10.700 1.00 0.00 C ATOM 493 O ILE A 118 26.734 -3.216 -11.697 1.00 0.00 O ATOM 494 CB ILE A 118 28.393 -5.967 -10.744 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.686 -6.690 -11.165 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.245 -6.394 -11.667 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.752 -8.072 -10.517 1.00 0.00 C ATOM 0 H ILE A 118 29.864 -4.805 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 118 29.021 -4.210 -11.813 1.00 0.00 H new ATOM 0 HB ILE A 118 28.140 -6.232 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.720 -6.787 -12.250 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.554 -6.100 -10.870 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.103 -7.472 -11.596 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.328 -5.886 -11.366 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.487 -6.127 -12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.670 -8.573 -10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.739 -7.966 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.893 -8.664 -10.834 1.00 0.00 H new ATOM 509 N ALA A 119 26.778 -3.538 -9.470 1.00 0.00 N ATOM 510 CA ALA A 119 25.525 -2.836 -9.214 1.00 0.00 C ATOM 511 C ALA A 119 25.602 -1.390 -9.712 1.00 0.00 C ATOM 512 O ALA A 119 24.648 -0.889 -10.307 1.00 0.00 O ATOM 513 CB ALA A 119 25.229 -2.864 -7.716 1.00 0.00 C ATOM 0 H ALA A 119 27.226 -3.908 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 119 24.721 -3.336 -9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.293 -2.340 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.143 -3.898 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.039 -2.374 -7.176 1.00 0.00 H new ATOM 519 N LYS A 120 26.737 -0.720 -9.467 1.00 0.00 N ATOM 520 CA LYS A 120 26.923 0.669 -9.877 1.00 0.00 C ATOM 521 C LYS A 120 26.805 0.811 -11.398 1.00 0.00 C ATOM 522 O LYS A 120 26.558 1.910 -11.891 1.00 0.00 O ATOM 523 CB LYS A 120 28.288 1.171 -9.392 1.00 0.00 C ATOM 524 CG LYS A 120 28.209 1.518 -7.901 1.00 0.00 C ATOM 525 CD LYS A 120 29.619 1.742 -7.329 1.00 0.00 C ATOM 526 CE LYS A 120 30.335 2.885 -8.065 1.00 0.00 C ATOM 527 NZ LYS A 120 29.545 4.130 -8.032 1.00 0.00 N ATOM 0 H LYS A 120 27.540 -1.124 -8.985 1.00 0.00 H new ATOM 0 HA LYS A 120 26.139 1.276 -9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.048 0.407 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.588 2.049 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.606 2.415 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 120 27.713 0.713 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.552 1.974 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.202 0.825 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.309 3.059 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.516 2.595 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.135 4.924 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 28.721 4.035 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.221 4.310 -7.060 1.00 0.00 H new ATOM 541 N HIS A 121 26.980 -0.290 -12.140 1.00 0.00 N ATOM 542 CA HIS A 121 26.892 -0.262 -13.592 1.00 0.00 C ATOM 543 C HIS A 121 25.443 -0.457 -14.040 1.00 0.00 C ATOM 544 O HIS A 121 25.046 0.073 -15.076 1.00 0.00 O ATOM 545 CB HIS A 121 27.808 -1.339 -14.174 1.00 0.00 C ATOM 546 CG HIS A 121 29.225 -1.195 -13.683 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.798 0.041 -13.404 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.208 -2.107 -13.399 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.052 -0.197 -12.982 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.368 -1.491 -12.957 1.00 0.00 N ATOM 0 H HIS A 121 27.184 -1.210 -11.750 1.00 0.00 H new ATOM 0 HA HIS A 121 27.221 0.709 -13.962 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.428 -2.324 -13.903 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.793 -1.280 -15.262 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.352 0.953 -13.501 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.093 -3.175 -13.507 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.737 0.585 -12.691 1.00 0.00 H new ATOM 558 N LEU A 122 24.646 -1.206 -13.258 1.00 0.00 N ATOM 559 CA LEU A 122 23.240 -1.423 -13.589 1.00 0.00 C ATOM 560 C LEU A 122 22.411 -0.212 -13.172 1.00 0.00 C ATOM 561 O LEU A 122 21.290 -0.032 -13.640 1.00 0.00 O ATOM 562 CB LEU A 122 22.726 -2.712 -12.924 1.00 0.00 C ATOM 563 CG LEU A 122 23.581 -3.919 -13.352 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.866 -5.212 -12.960 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.796 -3.910 -14.867 1.00 0.00 C ATOM 0 H LEU A 122 24.955 -1.665 -12.401 1.00 0.00 H new ATOM 0 HA LEU A 122 23.141 -1.544 -14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 122 22.755 -2.605 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.685 -2.880 -13.200 1.00 0.00 H new ATOM 0 HG LEU A 122 24.548 -3.858 -12.853 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.470 -6.068 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 122 22.720 -5.234 -11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.897 -5.257 -13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.402 -4.769 -15.154 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.831 -3.962 -15.372 1.00 0.00 H new ATOM 0 HD23 LEU A 122 24.308 -2.992 -15.156 1.00 0.00 H new ATOM 577 N LYS A 123 22.989 0.614 -12.305 1.00 0.00 N ATOM 578 CA LYS A 123 22.376 1.855 -11.832 1.00 0.00 C ATOM 579 C LYS A 123 20.908 1.640 -11.449 1.00 0.00 C ATOM 580 O LYS A 123 20.014 2.209 -12.075 1.00 0.00 O ATOM 581 CB LYS A 123 22.493 2.927 -12.926 1.00 0.00 C ATOM 582 CG LYS A 123 23.970 3.225 -13.215 1.00 0.00 C ATOM 583 CD LYS A 123 24.103 4.094 -14.474 1.00 0.00 C ATOM 584 CE LYS A 123 23.376 5.433 -14.285 1.00 0.00 C ATOM 585 NZ LYS A 123 21.988 5.368 -14.784 1.00 0.00 N ATOM 0 H LYS A 123 23.910 0.439 -11.904 1.00 0.00 H new ATOM 0 HA LYS A 123 22.903 2.186 -10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.998 2.586 -13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.985 3.838 -12.609 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.418 3.736 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.517 2.292 -13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 123 25.156 4.273 -14.689 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.687 3.566 -15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.372 5.701 -13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.917 6.220 -14.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 21.884 5.998 -15.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 21.766 4.392 -15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.335 5.668 -14.032 1.00 0.00 H new ATOM 599 N GLY A 124 20.662 0.827 -10.418 1.00 0.00 N ATOM 600 CA GLY A 124 19.309 0.562 -9.955 1.00 0.00 C ATOM 601 C GLY A 124 19.279 -0.722 -9.140 1.00 0.00 C ATOM 602 O GLY A 124 18.843 -0.722 -7.990 1.00 0.00 O ATOM 0 H GLY A 124 21.389 0.343 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.954 1.395 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.635 0.477 -10.807 1.00 0.00 H new ATOM 606 N ARG A 125 19.746 -1.816 -9.742 1.00 0.00 N ATOM 607 CA ARG A 125 19.777 -3.108 -9.083 1.00 0.00 C ATOM 608 C ARG A 125 20.982 -3.158 -8.149 1.00 0.00 C ATOM 609 O ARG A 125 22.119 -3.262 -8.606 1.00 0.00 O ATOM 610 CB ARG A 125 19.847 -4.207 -10.145 1.00 0.00 C ATOM 611 CG ARG A 125 18.555 -4.194 -10.978 1.00 0.00 C ATOM 612 CD ARG A 125 17.847 -5.542 -10.862 1.00 0.00 C ATOM 613 NE ARG A 125 16.462 -5.461 -11.346 1.00 0.00 N ATOM 614 CZ ARG A 125 16.086 -5.826 -12.586 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.000 -6.150 -13.509 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.784 -5.866 -12.900 1.00 0.00 N ATOM 0 H ARG A 125 20.110 -1.825 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 125 18.876 -3.262 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.711 -4.050 -10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.977 -5.179 -9.670 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.897 -3.397 -10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.787 -3.984 -12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.392 -6.292 -11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.853 -5.870 -9.823 1.00 0.00 H new ATOM 0 HE ARG A 125 15.747 -5.110 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.993 -6.122 -13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.704 -6.425 -14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.083 -5.621 -12.201 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.494 -6.142 -13.838 1.00 0.00 H new ATOM 630 N ILE A 126 20.727 -3.068 -6.836 1.00 0.00 N ATOM 631 CA ILE A 126 21.791 -3.061 -5.841 1.00 0.00 C ATOM 632 C ILE A 126 22.424 -4.449 -5.719 1.00 0.00 C ATOM 633 O ILE A 126 21.993 -5.404 -6.371 1.00 0.00 O ATOM 634 CB ILE A 126 21.241 -2.578 -4.485 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.079 -3.472 -4.027 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.758 -1.128 -4.619 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.887 -3.342 -2.514 1.00 0.00 C ATOM 0 H ILE A 126 19.788 -2.999 -6.445 1.00 0.00 H new ATOM 0 HA ILE A 126 22.570 -2.369 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 126 22.036 -2.633 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.163 -3.186 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.282 -4.510 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.368 -0.784 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.591 -0.493 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.971 -1.075 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.061 -3.979 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.800 -3.650 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.663 -2.305 -2.263 1.00 0.00 H new ATOM 649 N GLY A 127 23.456 -4.554 -4.877 1.00 0.00 N ATOM 650 CA GLY A 127 24.166 -5.802 -4.670 1.00 0.00 C ATOM 651 C GLY A 127 23.218 -6.903 -4.195 1.00 0.00 C ATOM 652 O GLY A 127 23.409 -8.068 -4.538 1.00 0.00 O ATOM 0 H GLY A 127 23.815 -3.775 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.647 -6.108 -5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 127 24.957 -5.656 -3.934 1.00 0.00 H new ATOM 656 N LYS A 128 22.191 -6.536 -3.407 1.00 0.00 N ATOM 657 CA LYS A 128 21.238 -7.506 -2.873 1.00 0.00 C ATOM 658 C LYS A 128 20.197 -7.903 -3.936 1.00 0.00 C ATOM 659 O LYS A 128 19.077 -8.284 -3.598 1.00 0.00 O ATOM 660 CB LYS A 128 20.559 -6.912 -1.630 1.00 0.00 C ATOM 661 CG LYS A 128 20.070 -8.036 -0.702 1.00 0.00 C ATOM 662 CD LYS A 128 21.245 -8.604 0.118 1.00 0.00 C ATOM 663 CE LYS A 128 21.523 -10.060 -0.279 1.00 0.00 C ATOM 664 NZ LYS A 128 20.376 -10.935 0.028 1.00 0.00 N ATOM 0 H LYS A 128 22.006 -5.572 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 128 21.771 -8.414 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.259 -6.269 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.718 -6.287 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.301 -7.654 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.612 -8.830 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 128 22.137 -7.999 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.014 -8.549 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 128 21.745 -10.111 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 128 22.407 -10.419 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 20.348 -11.722 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 20.476 -11.313 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.494 -10.388 -0.039 1.00 0.00 H new ATOM 678 N GLN A 129 20.579 -7.822 -5.214 1.00 0.00 N ATOM 679 CA GLN A 129 19.732 -8.225 -6.325 1.00 0.00 C ATOM 680 C GLN A 129 20.609 -8.964 -7.323 1.00 0.00 C ATOM 681 O GLN A 129 20.304 -10.088 -7.719 1.00 0.00 O ATOM 682 CB GLN A 129 19.082 -6.999 -6.977 1.00 0.00 C ATOM 683 CG GLN A 129 18.122 -6.323 -5.996 1.00 0.00 C ATOM 684 CD GLN A 129 17.438 -5.131 -6.652 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.770 -3.985 -6.365 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.481 -5.401 -7.538 1.00 0.00 N ATOM 0 H GLN A 129 21.493 -7.471 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 129 18.927 -8.872 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.852 -6.293 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.543 -7.299 -7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.373 -7.040 -5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.668 -5.995 -5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.237 -6.369 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.992 -4.639 -8.008 1.00 0.00 H new ATOM 695 N CYS A 130 21.715 -8.319 -7.715 1.00 0.00 N ATOM 696 CA CYS A 130 22.683 -8.911 -8.627 1.00 0.00 C ATOM 697 C CYS A 130 23.222 -10.210 -8.032 1.00 0.00 C ATOM 698 O CYS A 130 23.378 -11.202 -8.745 1.00 0.00 O ATOM 699 CB CYS A 130 23.829 -7.923 -8.869 1.00 0.00 C ATOM 700 SG CYS A 130 23.163 -6.415 -9.614 1.00 0.00 S ATOM 0 H CYS A 130 21.957 -7.377 -7.407 1.00 0.00 H new ATOM 0 HA CYS A 130 22.200 -9.134 -9.578 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.329 -7.689 -7.929 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.577 -8.368 -9.525 1.00 0.00 H new ATOM 0 HG CYS A 130 24.129 -5.570 -9.821 1.00 0.00 H new ATOM 706 N ARG A 131 23.506 -10.203 -6.718 1.00 0.00 N ATOM 707 CA ARG A 131 24.024 -11.378 -6.037 1.00 0.00 C ATOM 708 C ARG A 131 23.034 -12.529 -6.186 1.00 0.00 C ATOM 709 O ARG A 131 23.388 -13.581 -6.708 1.00 0.00 O ATOM 710 CB ARG A 131 24.274 -11.039 -4.560 1.00 0.00 C ATOM 711 CG ARG A 131 24.982 -12.206 -3.854 1.00 0.00 C ATOM 712 CD ARG A 131 23.959 -13.083 -3.121 1.00 0.00 C ATOM 713 NE ARG A 131 24.622 -14.171 -2.390 1.00 0.00 N ATOM 714 CZ ARG A 131 25.192 -14.012 -1.181 1.00 0.00 C ATOM 715 NH1 ARG A 131 25.221 -12.804 -0.600 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.732 -15.065 -0.555 1.00 0.00 N ATOM 0 H ARG A 131 23.382 -9.390 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 131 24.970 -11.686 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.882 -10.138 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.327 -10.826 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.528 -12.804 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.715 -11.821 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.383 -12.472 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.253 -13.500 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 131 24.652 -15.095 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 131 24.810 -12.000 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 131 25.654 -12.689 0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.711 -15.985 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.164 -14.947 0.361 1.00 0.00 H new ATOM 730 N GLU A 132 21.794 -12.322 -5.727 1.00 0.00 N ATOM 731 CA GLU A 132 20.752 -13.336 -5.805 1.00 0.00 C ATOM 732 C GLU A 132 20.622 -13.855 -7.235 1.00 0.00 C ATOM 733 O GLU A 132 20.595 -15.064 -7.451 1.00 0.00 O ATOM 734 CB GLU A 132 19.420 -12.736 -5.330 1.00 0.00 C ATOM 735 CG GLU A 132 19.302 -12.839 -3.803 1.00 0.00 C ATOM 736 CD GLU A 132 20.395 -12.047 -3.092 1.00 0.00 C ATOM 737 OE1 GLU A 132 20.740 -10.958 -3.602 1.00 0.00 O ATOM 738 OE2 GLU A 132 20.864 -12.545 -2.043 1.00 0.00 O ATOM 0 H GLU A 132 21.492 -11.449 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 132 21.018 -14.174 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.354 -11.692 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.589 -13.260 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.325 -12.471 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.360 -13.886 -3.504 1.00 0.00 H new ATOM 745 N ARG A 133 20.542 -12.948 -8.213 1.00 0.00 N ATOM 746 CA ARG A 133 20.399 -13.341 -9.607 1.00 0.00 C ATOM 747 C ARG A 133 21.515 -14.315 -9.999 1.00 0.00 C ATOM 748 O ARG A 133 21.272 -15.254 -10.758 1.00 0.00 O ATOM 749 CB ARG A 133 20.419 -12.087 -10.500 1.00 0.00 C ATOM 750 CG ARG A 133 19.919 -12.418 -11.919 1.00 0.00 C ATOM 751 CD ARG A 133 18.441 -12.829 -11.879 1.00 0.00 C ATOM 752 NE ARG A 133 17.839 -12.805 -13.221 1.00 0.00 N ATOM 753 CZ ARG A 133 16.671 -13.412 -13.519 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.105 -14.243 -12.646 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.073 -13.185 -14.690 1.00 0.00 N ATOM 0 H ARG A 133 20.574 -11.940 -8.060 1.00 0.00 H new ATOM 0 HA ARG A 133 19.446 -13.851 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.792 -11.312 -10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.432 -11.687 -10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.045 -11.551 -12.568 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.517 -13.224 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.352 -13.830 -11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.892 -12.155 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 133 18.329 -12.305 -13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.554 -14.423 -11.748 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.222 -14.700 -12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.499 -12.550 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.190 -13.647 -14.910 1.00 0.00 H new ATOM 769 N TRP A 134 22.735 -14.091 -9.482 1.00 0.00 N ATOM 770 CA TRP A 134 23.878 -14.934 -9.805 1.00 0.00 C ATOM 771 C TRP A 134 24.124 -16.008 -8.733 1.00 0.00 C ATOM 772 O TRP A 134 25.223 -16.556 -8.662 1.00 0.00 O ATOM 773 CB TRP A 134 25.119 -14.054 -9.966 1.00 0.00 C ATOM 774 CG TRP A 134 26.157 -14.657 -10.849 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.313 -15.217 -10.449 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.136 -14.802 -12.294 1.00 0.00 C ATOM 777 NE1 TRP A 134 28.012 -15.713 -11.522 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.319 -15.491 -12.698 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.232 -14.430 -13.313 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.578 -15.808 -14.030 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.494 -14.741 -14.657 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.658 -15.438 -15.015 1.00 0.00 C ATOM 0 H TRP A 134 22.946 -13.329 -8.838 1.00 0.00 H new ATOM 0 HA TRP A 134 23.664 -15.456 -10.738 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.821 -13.088 -10.374 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.552 -13.865 -8.984 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.646 -15.269 -9.423 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.917 -16.180 -11.460 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.327 -13.899 -13.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.482 -16.335 -14.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.793 -14.441 -15.422 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.843 -15.688 -16.049 1.00 0.00 H new ATOM 793 N HIS A 135 23.118 -16.317 -7.904 1.00 0.00 N ATOM 794 CA HIS A 135 23.262 -17.340 -6.869 1.00 0.00 C ATOM 795 C HIS A 135 21.935 -18.080 -6.664 1.00 0.00 C ATOM 796 O HIS A 135 21.640 -18.545 -5.565 1.00 0.00 O ATOM 797 CB HIS A 135 23.762 -16.690 -5.569 1.00 0.00 C ATOM 798 CG HIS A 135 25.258 -16.495 -5.570 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.142 -17.519 -5.249 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.060 -15.417 -5.856 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.385 -17.011 -5.355 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.408 -15.727 -5.722 1.00 0.00 N ATOM 0 H HIS A 135 22.200 -15.873 -7.932 1.00 0.00 H new ATOM 0 HA HIS A 135 24.000 -18.079 -7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.271 -15.726 -5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.479 -17.313 -4.721 1.00 0.00 H new ATOM 0 HD1 HIS A 135 25.896 -18.473 -4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.688 -14.446 -6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.278 -17.587 -5.162 1.00 0.00 H new ATOM 810 N ASN A 136 21.149 -18.199 -7.740 1.00 0.00 N ATOM 811 CA ASN A 136 19.885 -18.929 -7.721 1.00 0.00 C ATOM 812 C ASN A 136 19.797 -19.755 -8.986 1.00 0.00 C ATOM 813 O ASN A 136 19.863 -20.981 -8.945 1.00 0.00 O ATOM 814 CB ASN A 136 18.705 -17.952 -7.656 1.00 0.00 C ATOM 815 CG ASN A 136 18.415 -17.539 -6.226 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.465 -18.020 -5.616 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.233 -16.647 -5.694 1.00 0.00 N ATOM 0 H ASN A 136 21.375 -17.790 -8.647 1.00 0.00 H new ATOM 0 HA ASN A 136 19.843 -19.573 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.927 -17.069 -8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.820 -18.417 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.088 -16.330 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.009 -16.276 -6.242 1.00 0.00 H new ATOM 824 N HIS A 137 19.648 -19.060 -10.111 1.00 0.00 N ATOM 825 CA HIS A 137 19.551 -19.695 -11.422 1.00 0.00 C ATOM 826 C HIS A 137 20.896 -19.584 -12.142 1.00 0.00 C ATOM 827 O HIS A 137 21.500 -20.600 -12.480 1.00 0.00 O ATOM 828 CB HIS A 137 18.418 -19.052 -12.244 1.00 0.00 C ATOM 829 CG HIS A 137 17.729 -17.919 -11.525 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.533 -18.083 -10.834 1.00 0.00 N ATOM 831 CD2 HIS A 137 18.049 -16.596 -11.365 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.215 -16.881 -10.316 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.102 -15.926 -10.603 1.00 0.00 N ATOM 0 H HIS A 137 19.591 -18.042 -10.139 1.00 0.00 H new ATOM 0 HA HIS A 137 19.311 -20.751 -11.301 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.826 -18.682 -13.185 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.682 -19.816 -12.494 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.000 -18.947 -10.738 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.931 -16.131 -11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.328 -16.707 -9.725 1.00 0.00 H new ATOM 841 N LEU A 138 21.369 -18.350 -12.375 1.00 0.00 N ATOM 842 CA LEU A 138 22.649 -18.130 -13.037 1.00 0.00 C ATOM 843 C LEU A 138 23.774 -18.274 -12.013 1.00 0.00 C ATOM 844 O LEU A 138 23.535 -18.157 -10.813 1.00 0.00 O ATOM 845 CB LEU A 138 22.683 -16.738 -13.682 1.00 0.00 C ATOM 846 CG LEU A 138 21.790 -16.698 -14.933 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.387 -16.209 -14.564 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.392 -15.742 -15.962 1.00 0.00 C ATOM 0 H LEU A 138 20.879 -17.495 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 138 22.783 -18.871 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.346 -15.990 -12.964 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.707 -16.481 -13.952 1.00 0.00 H new ATOM 0 HG LEU A 138 21.726 -17.703 -15.350 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.763 -16.185 -15.458 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.946 -16.886 -13.832 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.451 -15.207 -14.139 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.758 -15.715 -16.848 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.460 -14.742 -15.534 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.388 -16.086 -16.239 1.00 0.00 H new