USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 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 180:sc= 0 USER MOD Set 1.2: A 121 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.53) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.616 USER MOD Single : A 97 LYS NZ :NH3+ -169:sc=-0.00423 (180deg=-0.152) USER MOD Single : A 101 GLN : amide:sc= 0.145 X(o=0.14,f=-0.21) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= -0.239 (180deg=-0.396) USER MOD Single : A 113 LYS NZ :NH3+ 175:sc= -0.0231 (180deg=-0.094) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 145:sc= 1.08 (180deg=-0.242) USER MOD Single : A 129 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.076) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.0026 USER MOD Single : A 135 HIS : no HE2:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 136 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.26) USER MOD Single : A 137 HIS : no HE2:sc= 0.052 K(o=0.052,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.303 -9.764 -13.206 1.00 0.00 N ATOM 85 CA TRP A 95 14.499 -9.570 -14.008 1.00 0.00 C ATOM 86 C TRP A 95 14.178 -9.743 -15.490 1.00 0.00 C ATOM 87 O TRP A 95 13.273 -10.496 -15.850 1.00 0.00 O ATOM 88 CB TRP A 95 15.564 -10.565 -13.565 1.00 0.00 C ATOM 89 CG TRP A 95 16.419 -10.077 -12.446 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.053 -9.992 -11.156 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.786 -9.580 -12.496 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.076 -9.487 -10.389 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.183 -9.209 -11.174 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.740 -9.399 -13.524 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.447 -8.690 -10.893 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.012 -8.870 -13.243 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.365 -8.515 -11.930 1.00 0.00 C ATOM 0 HA TRP A 95 14.875 -8.557 -13.864 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.077 -11.491 -13.260 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.200 -10.805 -14.417 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.085 -10.281 -10.773 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.027 -9.338 -9.381 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.488 -9.671 -14.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.713 -8.425 -9.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.724 -8.735 -14.044 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.344 -8.108 -11.724 1.00 0.00 H new ATOM 108 N THR A 96 14.930 -9.036 -16.343 1.00 0.00 N ATOM 109 CA THR A 96 14.741 -9.084 -17.785 1.00 0.00 C ATOM 110 C THR A 96 15.959 -9.733 -18.436 1.00 0.00 C ATOM 111 O THR A 96 17.031 -9.788 -17.834 1.00 0.00 O ATOM 112 CB THR A 96 14.531 -7.658 -18.323 1.00 0.00 C ATOM 113 OG1 THR A 96 15.776 -7.002 -18.447 1.00 0.00 O ATOM 114 CG2 THR A 96 13.636 -6.862 -17.367 1.00 0.00 C ATOM 0 H THR A 96 15.684 -8.417 -16.046 1.00 0.00 H new ATOM 0 HA THR A 96 13.860 -9.679 -18.024 1.00 0.00 H new ATOM 0 HB THR A 96 14.052 -7.721 -19.300 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.635 -6.095 -18.791 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.493 -5.854 -17.757 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.669 -7.357 -17.277 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.108 -6.808 -16.386 1.00 0.00 H new ATOM 122 N LYS A 97 15.796 -10.221 -19.672 1.00 0.00 N ATOM 123 CA LYS A 97 16.886 -10.853 -20.401 1.00 0.00 C ATOM 124 C LYS A 97 18.047 -9.869 -20.559 1.00 0.00 C ATOM 125 O LYS A 97 19.203 -10.271 -20.528 1.00 0.00 O ATOM 126 CB LYS A 97 16.380 -11.322 -21.770 1.00 0.00 C ATOM 127 CG LYS A 97 17.474 -12.131 -22.477 1.00 0.00 C ATOM 128 CD LYS A 97 16.966 -12.605 -23.842 1.00 0.00 C ATOM 129 CE LYS A 97 18.013 -13.509 -24.506 1.00 0.00 C ATOM 130 NZ LYS A 97 19.261 -12.772 -24.784 1.00 0.00 N ATOM 0 H LYS A 97 14.914 -10.187 -20.184 1.00 0.00 H new ATOM 0 HA LYS A 97 17.245 -11.719 -19.845 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.485 -11.932 -21.648 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.099 -10.462 -22.379 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.368 -11.520 -22.603 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.758 -12.988 -21.866 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.028 -13.148 -23.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.758 -11.746 -24.480 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.227 -14.358 -23.857 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.611 -13.912 -25.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.876 -13.348 -25.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.036 -11.877 -25.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.752 -12.571 -23.890 1.00 0.00 H new ATOM 144 N GLU A 98 17.730 -8.580 -20.729 1.00 0.00 N ATOM 145 CA GLU A 98 18.742 -7.546 -20.889 1.00 0.00 C ATOM 146 C GLU A 98 19.480 -7.351 -19.567 1.00 0.00 C ATOM 147 O GLU A 98 20.711 -7.336 -19.535 1.00 0.00 O ATOM 148 CB GLU A 98 18.073 -6.241 -21.331 1.00 0.00 C ATOM 149 CG GLU A 98 19.142 -5.227 -21.758 1.00 0.00 C ATOM 150 CD GLU A 98 18.654 -3.801 -21.546 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.612 -3.463 -22.142 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.335 -3.077 -20.785 1.00 0.00 O ATOM 0 H GLU A 98 16.771 -8.233 -20.758 1.00 0.00 H new ATOM 0 HA GLU A 98 19.461 -7.845 -21.651 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.391 -6.434 -22.159 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.477 -5.833 -20.515 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.055 -5.392 -21.185 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.393 -5.377 -22.808 1.00 0.00 H new ATOM 159 N GLU A 99 18.719 -7.203 -18.476 1.00 0.00 N ATOM 160 CA GLU A 99 19.290 -7.026 -17.153 1.00 0.00 C ATOM 161 C GLU A 99 20.268 -8.167 -16.876 1.00 0.00 C ATOM 162 O GLU A 99 21.398 -7.935 -16.449 1.00 0.00 O ATOM 163 CB GLU A 99 18.155 -6.997 -16.118 1.00 0.00 C ATOM 164 CG GLU A 99 18.637 -6.344 -14.817 1.00 0.00 C ATOM 165 CD GLU A 99 18.317 -4.856 -14.802 1.00 0.00 C ATOM 166 OE1 GLU A 99 19.046 -4.110 -15.491 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.346 -4.492 -14.100 1.00 0.00 O ATOM 0 H GLU A 99 17.699 -7.204 -18.494 1.00 0.00 H new ATOM 0 HA GLU A 99 19.835 -6.084 -17.091 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.304 -6.444 -16.517 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.810 -8.012 -15.918 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.163 -6.830 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.712 -6.490 -14.709 1.00 0.00 H new ATOM 174 N ASP A 100 19.823 -9.400 -17.135 1.00 0.00 N ATOM 175 CA ASP A 100 20.635 -10.586 -16.932 1.00 0.00 C ATOM 176 C ASP A 100 21.844 -10.578 -17.868 1.00 0.00 C ATOM 177 O ASP A 100 22.958 -10.863 -17.437 1.00 0.00 O ATOM 178 CB ASP A 100 19.770 -11.824 -17.179 1.00 0.00 C ATOM 179 CG ASP A 100 19.027 -12.217 -15.921 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.705 -12.656 -14.972 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.789 -12.070 -15.927 1.00 0.00 O ATOM 0 H ASP A 100 18.888 -9.596 -17.491 1.00 0.00 H new ATOM 0 HA ASP A 100 21.009 -10.601 -15.908 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.058 -11.623 -17.980 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.397 -12.652 -17.511 1.00 0.00 H new ATOM 186 N GLN A 101 21.624 -10.259 -19.149 1.00 0.00 N ATOM 187 CA GLN A 101 22.692 -10.240 -20.140 1.00 0.00 C ATOM 188 C GLN A 101 23.835 -9.339 -19.672 1.00 0.00 C ATOM 189 O GLN A 101 25.005 -9.703 -19.802 1.00 0.00 O ATOM 190 CB GLN A 101 22.130 -9.761 -21.487 1.00 0.00 C ATOM 191 CG GLN A 101 23.232 -9.745 -22.555 1.00 0.00 C ATOM 192 CD GLN A 101 23.797 -11.143 -22.786 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.249 -11.913 -23.571 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.894 -11.469 -22.101 1.00 0.00 N ATOM 0 H GLN A 101 20.707 -10.010 -19.520 1.00 0.00 H new ATOM 0 HA GLN A 101 23.090 -11.247 -20.264 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.319 -10.417 -21.803 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.708 -8.762 -21.377 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.831 -9.353 -23.490 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.032 -9.073 -22.245 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.314 -10.796 -21.460 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.313 -12.392 -22.218 1.00 0.00 H new ATOM 203 N ARG A 102 23.500 -8.164 -19.131 1.00 0.00 N ATOM 204 CA ARG A 102 24.507 -7.230 -18.660 1.00 0.00 C ATOM 205 C ARG A 102 25.295 -7.843 -17.498 1.00 0.00 C ATOM 206 O ARG A 102 26.513 -7.715 -17.456 1.00 0.00 O ATOM 207 CB ARG A 102 23.843 -5.909 -18.259 1.00 0.00 C ATOM 208 CG ARG A 102 23.462 -5.132 -19.529 1.00 0.00 C ATOM 209 CD ARG A 102 23.013 -3.707 -19.178 1.00 0.00 C ATOM 210 NE ARG A 102 21.545 -3.595 -19.165 1.00 0.00 N ATOM 211 CZ ARG A 102 20.795 -3.732 -18.060 1.00 0.00 C ATOM 212 NH1 ARG A 102 21.349 -4.070 -16.892 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.478 -3.528 -18.127 1.00 0.00 N ATOM 0 H ARG A 102 22.539 -7.844 -19.012 1.00 0.00 H new ATOM 0 HA ARG A 102 25.214 -7.021 -19.463 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.956 -6.102 -17.656 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.523 -5.317 -17.646 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.314 -5.093 -20.207 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.661 -5.653 -20.053 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.409 -3.429 -18.201 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.427 -3.005 -19.902 1.00 0.00 H new ATOM 0 HE ARG A 102 21.070 -3.402 -20.047 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.355 -4.228 -16.831 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.766 -4.170 -16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.046 -3.270 -19.014 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.903 -3.631 -17.291 1.00 0.00 H new ATOM 227 N VAL A 103 24.612 -8.519 -16.561 1.00 0.00 N ATOM 228 CA VAL A 103 25.297 -9.157 -15.437 1.00 0.00 C ATOM 229 C VAL A 103 26.256 -10.221 -15.964 1.00 0.00 C ATOM 230 O VAL A 103 27.413 -10.253 -15.568 1.00 0.00 O ATOM 231 CB VAL A 103 24.278 -9.774 -14.468 1.00 0.00 C ATOM 232 CG1 VAL A 103 25.005 -10.619 -13.414 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.509 -8.664 -13.764 1.00 0.00 C ATOM 0 H VAL A 103 23.599 -8.635 -16.562 1.00 0.00 H new ATOM 0 HA VAL A 103 25.867 -8.406 -14.890 1.00 0.00 H new ATOM 0 HB VAL A 103 23.590 -10.405 -15.032 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.276 -11.054 -12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.560 -11.417 -13.907 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.696 -9.988 -12.855 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.786 -9.102 -13.076 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.205 -8.036 -13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.985 -8.058 -14.504 1.00 0.00 H new ATOM 243 N ILE A 104 25.769 -11.090 -16.862 1.00 0.00 N ATOM 244 CA ILE A 104 26.589 -12.144 -17.448 1.00 0.00 C ATOM 245 C ILE A 104 27.892 -11.541 -17.983 1.00 0.00 C ATOM 246 O ILE A 104 28.978 -12.033 -17.679 1.00 0.00 O ATOM 247 CB ILE A 104 25.797 -12.837 -18.573 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.676 -13.702 -17.982 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.737 -13.716 -19.413 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.751 -14.200 -19.099 1.00 0.00 C ATOM 0 H ILE A 104 24.805 -11.078 -17.195 1.00 0.00 H new ATOM 0 HA ILE A 104 26.841 -12.888 -16.692 1.00 0.00 H new ATOM 0 HB ILE A 104 25.355 -12.070 -19.209 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.104 -14.550 -17.448 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.104 -13.124 -17.256 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.169 -14.202 -20.206 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.518 -13.096 -19.854 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.192 -14.474 -18.776 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.959 -14.813 -18.669 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.310 -13.346 -19.614 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.325 -14.795 -19.809 1.00 0.00 H new ATOM 262 N GLU A 105 27.774 -10.473 -18.781 1.00 0.00 N ATOM 263 CA GLU A 105 28.929 -9.808 -19.365 1.00 0.00 C ATOM 264 C GLU A 105 29.846 -9.270 -18.262 1.00 0.00 C ATOM 265 O GLU A 105 31.051 -9.518 -18.276 1.00 0.00 O ATOM 266 CB GLU A 105 28.434 -8.671 -20.275 1.00 0.00 C ATOM 267 CG GLU A 105 29.559 -8.197 -21.208 1.00 0.00 C ATOM 268 CD GLU A 105 30.615 -7.388 -20.461 1.00 0.00 C ATOM 269 OE1 GLU A 105 30.213 -6.562 -19.611 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.811 -7.603 -20.752 1.00 0.00 O ATOM 0 H GLU A 105 26.879 -10.053 -19.034 1.00 0.00 H new ATOM 0 HA GLU A 105 29.507 -10.517 -19.958 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.585 -9.014 -20.866 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.083 -7.837 -19.667 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.029 -9.061 -21.678 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.135 -7.590 -22.008 1.00 0.00 H new ATOM 277 N LEU A 106 29.273 -8.526 -17.312 1.00 0.00 N ATOM 278 CA LEU A 106 30.040 -7.911 -16.238 1.00 0.00 C ATOM 279 C LEU A 106 30.715 -8.968 -15.355 1.00 0.00 C ATOM 280 O LEU A 106 31.759 -8.694 -14.775 1.00 0.00 O ATOM 281 CB LEU A 106 29.119 -7.013 -15.407 1.00 0.00 C ATOM 282 CG LEU A 106 28.701 -5.780 -16.226 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.606 -5.022 -15.473 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.905 -4.857 -16.441 1.00 0.00 C ATOM 0 H LEU A 106 28.272 -8.337 -17.270 1.00 0.00 H new ATOM 0 HA LEU A 106 30.833 -7.306 -16.677 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.235 -7.571 -15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.630 -6.698 -14.497 1.00 0.00 H new ATOM 0 HG LEU A 106 28.326 -6.105 -17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.307 -4.147 -16.050 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.745 -5.674 -15.330 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.986 -4.704 -14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.598 -3.987 -17.022 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.290 -4.530 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.685 -5.396 -16.979 1.00 0.00 H new ATOM 296 N VAL A 107 30.136 -10.171 -15.252 1.00 0.00 N ATOM 297 CA VAL A 107 30.732 -11.233 -14.456 1.00 0.00 C ATOM 298 C VAL A 107 31.889 -11.842 -15.242 1.00 0.00 C ATOM 299 O VAL A 107 32.957 -12.075 -14.690 1.00 0.00 O ATOM 300 CB VAL A 107 29.676 -12.286 -14.097 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.367 -13.540 -13.550 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.737 -11.722 -13.025 1.00 0.00 C ATOM 0 H VAL A 107 29.261 -10.425 -15.710 1.00 0.00 H new ATOM 0 HA VAL A 107 31.116 -10.830 -13.519 1.00 0.00 H new ATOM 0 HB VAL A 107 29.105 -12.542 -14.989 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.616 -14.288 -13.295 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.039 -13.944 -14.307 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.938 -13.281 -12.658 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.986 -12.470 -12.769 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.312 -11.466 -12.135 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.244 -10.828 -13.407 1.00 0.00 H new ATOM 312 N GLN A 108 31.680 -12.084 -16.540 1.00 0.00 N ATOM 313 CA GLN A 108 32.732 -12.605 -17.398 1.00 0.00 C ATOM 314 C GLN A 108 33.918 -11.634 -17.371 1.00 0.00 C ATOM 315 O GLN A 108 35.073 -12.055 -17.408 1.00 0.00 O ATOM 316 CB GLN A 108 32.186 -12.772 -18.821 1.00 0.00 C ATOM 317 CG GLN A 108 33.261 -13.380 -19.729 1.00 0.00 C ATOM 318 CD GLN A 108 32.710 -13.641 -21.127 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.719 -14.773 -21.600 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.229 -12.587 -21.788 1.00 0.00 N ATOM 0 H GLN A 108 30.790 -11.925 -17.013 1.00 0.00 H new ATOM 0 HA GLN A 108 33.070 -13.579 -17.044 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.305 -13.413 -18.808 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.871 -11.805 -19.214 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.115 -12.705 -19.791 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.623 -14.313 -19.296 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.242 -11.664 -21.355 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.848 -12.704 -22.727 1.00 0.00 H new ATOM 329 N LYS A 109 33.615 -10.331 -17.298 1.00 0.00 N ATOM 330 CA LYS A 109 34.626 -9.290 -17.249 1.00 0.00 C ATOM 331 C LYS A 109 35.328 -9.295 -15.886 1.00 0.00 C ATOM 332 O LYS A 109 36.542 -9.471 -15.817 1.00 0.00 O ATOM 333 CB LYS A 109 33.947 -7.938 -17.507 1.00 0.00 C ATOM 334 CG LYS A 109 34.995 -6.818 -17.527 1.00 0.00 C ATOM 335 CD LYS A 109 34.312 -5.475 -17.813 1.00 0.00 C ATOM 336 CE LYS A 109 33.966 -5.361 -19.305 1.00 0.00 C ATOM 337 NZ LYS A 109 32.520 -5.155 -19.506 1.00 0.00 N ATOM 0 H LYS A 109 32.658 -9.978 -17.272 1.00 0.00 H new ATOM 0 HA LYS A 109 35.383 -9.469 -18.013 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.414 -7.965 -18.457 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.207 -7.740 -16.732 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.515 -6.776 -16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.747 -7.024 -18.289 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.405 -5.385 -17.214 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.969 -4.656 -17.521 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.518 -4.531 -19.746 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.282 -6.266 -19.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.303 -5.184 -20.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.991 -5.906 -19.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.244 -4.230 -19.119 1.00 0.00 H new ATOM 351 N TYR A 110 34.558 -9.088 -14.807 1.00 0.00 N ATOM 352 CA TYR A 110 35.103 -9.026 -13.456 1.00 0.00 C ATOM 353 C TYR A 110 35.055 -10.408 -12.799 1.00 0.00 C ATOM 354 O TYR A 110 36.078 -11.084 -12.703 1.00 0.00 O ATOM 355 CB TYR A 110 34.305 -7.997 -12.640 1.00 0.00 C ATOM 356 CG TYR A 110 34.392 -6.591 -13.201 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.638 -5.943 -13.284 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.228 -5.931 -13.642 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.720 -4.641 -13.808 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.314 -4.630 -14.165 1.00 0.00 C ATOM 361 CZ TYR A 110 34.558 -3.986 -14.249 1.00 0.00 C ATOM 362 OH TYR A 110 34.638 -2.725 -14.760 1.00 0.00 O ATOM 0 H TYR A 110 33.547 -8.960 -14.853 1.00 0.00 H new ATOM 0 HA TYR A 110 36.147 -8.715 -13.494 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.259 -8.303 -12.605 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.671 -7.995 -11.613 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.532 -6.446 -12.945 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.270 -6.425 -13.578 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.677 -4.144 -13.872 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.421 -4.125 -14.503 1.00 0.00 H new ATOM 0 HH TYR A 110 33.743 -2.419 -15.018 1.00 0.00 H new ATOM 372 N GLY A 111 33.868 -10.822 -12.343 1.00 0.00 N ATOM 373 CA GLY A 111 33.689 -12.110 -11.690 1.00 0.00 C ATOM 374 C GLY A 111 32.472 -12.051 -10.771 1.00 0.00 C ATOM 375 O GLY A 111 31.829 -11.007 -10.669 1.00 0.00 O ATOM 0 H GLY A 111 33.012 -10.272 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.556 -12.893 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.580 -12.365 -11.116 1.00 0.00 H new ATOM 379 N PRO A 112 32.152 -13.170 -10.091 1.00 0.00 N ATOM 380 CA PRO A 112 31.035 -13.243 -9.161 1.00 0.00 C ATOM 381 C PRO A 112 31.379 -12.523 -7.840 1.00 0.00 C ATOM 382 O PRO A 112 31.007 -12.983 -6.761 1.00 0.00 O ATOM 383 CB PRO A 112 30.807 -14.747 -8.945 1.00 0.00 C ATOM 384 CG PRO A 112 32.082 -15.451 -9.426 1.00 0.00 C ATOM 385 CD PRO A 112 32.878 -14.415 -10.224 1.00 0.00 C ATOM 0 HA PRO A 112 30.139 -12.751 -9.541 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.616 -14.964 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 112 29.938 -15.092 -9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.663 -15.820 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 112 31.838 -16.314 -10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 112 33.892 -14.319 -9.837 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.962 -14.708 -11.270 1.00 0.00 H new ATOM 393 N LYS A 113 32.096 -11.394 -7.935 1.00 0.00 N ATOM 394 CA LYS A 113 32.513 -10.618 -6.778 1.00 0.00 C ATOM 395 C LYS A 113 32.436 -9.135 -7.134 1.00 0.00 C ATOM 396 O LYS A 113 32.073 -8.788 -8.256 1.00 0.00 O ATOM 397 CB LYS A 113 33.948 -11.008 -6.389 1.00 0.00 C ATOM 398 CG LYS A 113 33.995 -12.473 -5.933 1.00 0.00 C ATOM 399 CD LYS A 113 35.419 -12.839 -5.487 1.00 0.00 C ATOM 400 CE LYS A 113 36.126 -13.651 -6.580 1.00 0.00 C ATOM 401 NZ LYS A 113 36.281 -12.867 -7.819 1.00 0.00 N ATOM 0 H LYS A 113 32.400 -10.999 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 113 31.860 -10.819 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.615 -10.863 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.305 -10.359 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.296 -12.629 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.681 -13.126 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.985 -11.932 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.381 -13.416 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 113 37.106 -13.968 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 113 35.555 -14.556 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 36.836 -13.413 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.343 -12.658 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 36.773 -11.976 -7.607 1.00 0.00 H new ATOM 415 N ARG A 114 32.779 -8.262 -6.175 1.00 0.00 N ATOM 416 CA ARG A 114 32.739 -6.818 -6.381 1.00 0.00 C ATOM 417 C ARG A 114 31.364 -6.419 -6.915 1.00 0.00 C ATOM 418 O ARG A 114 31.257 -5.724 -7.925 1.00 0.00 O ATOM 419 CB ARG A 114 33.853 -6.390 -7.348 1.00 0.00 C ATOM 420 CG ARG A 114 35.223 -6.674 -6.727 1.00 0.00 C ATOM 421 CD ARG A 114 36.321 -6.141 -7.649 1.00 0.00 C ATOM 422 NE ARG A 114 37.647 -6.314 -7.041 1.00 0.00 N ATOM 423 CZ ARG A 114 38.784 -5.913 -7.636 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.746 -5.349 -8.852 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.958 -6.077 -7.013 1.00 0.00 N ATOM 0 H ARG A 114 33.089 -8.540 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 114 32.906 -6.308 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.754 -6.927 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.761 -5.328 -7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.295 -6.202 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.350 -7.746 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.284 -6.664 -8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.147 -5.085 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 114 37.708 -6.759 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.853 -5.223 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 114 39.610 -5.046 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.989 -6.506 -6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 114 40.821 -5.773 -7.463 1.00 0.00 H new ATOM 439 N TRP A 115 30.309 -6.867 -6.227 1.00 0.00 N ATOM 440 CA TRP A 115 28.945 -6.575 -6.628 1.00 0.00 C ATOM 441 C TRP A 115 28.682 -5.071 -6.582 1.00 0.00 C ATOM 442 O TRP A 115 27.739 -4.596 -7.202 1.00 0.00 O ATOM 443 CB TRP A 115 27.983 -7.355 -5.733 1.00 0.00 C ATOM 444 CG TRP A 115 28.079 -8.837 -5.921 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.514 -9.723 -5.009 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.765 -9.626 -7.108 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.509 -10.999 -5.523 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.053 -10.999 -6.829 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.273 -9.326 -8.400 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.866 -12.009 -7.778 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.078 -10.345 -9.356 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.379 -11.679 -9.046 1.00 0.00 C ATOM 0 H TRP A 115 30.384 -7.437 -5.384 1.00 0.00 H new ATOM 0 HA TRP A 115 28.785 -6.890 -7.659 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.189 -7.113 -4.690 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.962 -7.034 -5.940 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.826 -9.468 -4.007 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.802 -11.831 -5.011 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.043 -8.303 -8.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.096 -13.035 -7.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.694 -10.096 -10.334 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.235 -12.451 -9.787 1.00 0.00 H new ATOM 463 N SER A 116 29.528 -4.319 -5.866 1.00 0.00 N ATOM 464 CA SER A 116 29.416 -2.872 -5.813 1.00 0.00 C ATOM 465 C SER A 116 29.730 -2.292 -7.195 1.00 0.00 C ATOM 466 O SER A 116 29.047 -1.383 -7.659 1.00 0.00 O ATOM 467 CB SER A 116 30.387 -2.329 -4.764 1.00 0.00 C ATOM 468 OG SER A 116 30.224 -3.039 -3.554 1.00 0.00 O ATOM 0 H SER A 116 30.298 -4.700 -5.316 1.00 0.00 H new ATOM 0 HA SER A 116 28.403 -2.582 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.413 -2.426 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.205 -1.267 -4.601 1.00 0.00 H new ATOM 0 HG SER A 116 30.848 -2.691 -2.884 1.00 0.00 H new ATOM 474 N VAL A 117 30.770 -2.831 -7.851 1.00 0.00 N ATOM 475 CA VAL A 117 31.176 -2.383 -9.177 1.00 0.00 C ATOM 476 C VAL A 117 30.093 -2.749 -10.189 1.00 0.00 C ATOM 477 O VAL A 117 29.705 -1.926 -11.013 1.00 0.00 O ATOM 478 CB VAL A 117 32.520 -3.040 -9.544 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.890 -2.713 -10.994 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.619 -2.520 -8.611 1.00 0.00 C ATOM 0 H VAL A 117 31.345 -3.584 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 117 31.304 -1.301 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 117 32.425 -4.120 -9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.842 -3.183 -11.241 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.115 -3.090 -11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.977 -1.633 -11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.569 -2.986 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.704 -1.438 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.366 -2.765 -7.579 1.00 0.00 H new ATOM 490 N ILE A 118 29.602 -3.987 -10.122 1.00 0.00 N ATOM 491 CA ILE A 118 28.562 -4.452 -11.026 1.00 0.00 C ATOM 492 C ILE A 118 27.289 -3.617 -10.817 1.00 0.00 C ATOM 493 O ILE A 118 26.625 -3.247 -11.785 1.00 0.00 O ATOM 494 CB ILE A 118 28.321 -5.951 -10.779 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.567 -6.739 -11.230 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.097 -6.424 -11.576 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.633 -8.092 -10.521 1.00 0.00 C ATOM 0 H ILE A 118 29.913 -4.685 -9.446 1.00 0.00 H new ATOM 0 HA ILE A 118 28.867 -4.326 -12.065 1.00 0.00 H new ATOM 0 HB ILE A 118 28.138 -6.120 -9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.538 -6.889 -12.309 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.467 -6.164 -11.012 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.934 -7.486 -11.395 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.218 -5.863 -11.260 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.269 -6.259 -12.640 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.519 -8.634 -10.852 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.685 -7.936 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.742 -8.672 -10.761 1.00 0.00 H new ATOM 509 N ALA A 119 26.959 -3.314 -9.553 1.00 0.00 N ATOM 510 CA ALA A 119 25.783 -2.515 -9.223 1.00 0.00 C ATOM 511 C ALA A 119 25.954 -1.081 -9.732 1.00 0.00 C ATOM 512 O ALA A 119 24.993 -0.475 -10.193 1.00 0.00 O ATOM 513 CB ALA A 119 25.566 -2.526 -7.710 1.00 0.00 C ATOM 0 H ALA A 119 27.498 -3.616 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 119 24.908 -2.946 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.688 -1.929 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.415 -3.551 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.441 -2.106 -7.214 1.00 0.00 H new ATOM 519 N LYS A 120 27.180 -0.540 -9.651 1.00 0.00 N ATOM 520 CA LYS A 120 27.461 0.813 -10.127 1.00 0.00 C ATOM 521 C LYS A 120 27.070 0.942 -11.600 1.00 0.00 C ATOM 522 O LYS A 120 26.701 2.026 -12.051 1.00 0.00 O ATOM 523 CB LYS A 120 28.951 1.129 -9.940 1.00 0.00 C ATOM 524 CG LYS A 120 29.223 1.539 -8.489 1.00 0.00 C ATOM 525 CD LYS A 120 29.288 3.066 -8.387 1.00 0.00 C ATOM 526 CE LYS A 120 30.686 3.555 -8.781 1.00 0.00 C ATOM 527 NZ LYS A 120 30.761 5.026 -8.741 1.00 0.00 N ATOM 0 H LYS A 120 27.989 -1.023 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 120 26.874 1.526 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.551 0.257 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.248 1.932 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.437 1.155 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 120 30.161 1.102 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 120 28.539 3.515 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.056 3.382 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.428 3.131 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.930 3.202 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.717 5.332 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.068 5.427 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.551 5.358 -7.778 1.00 0.00 H new ATOM 541 N HIS A 121 27.151 -0.167 -12.347 1.00 0.00 N ATOM 542 CA HIS A 121 26.802 -0.178 -13.755 1.00 0.00 C ATOM 543 C HIS A 121 25.303 -0.414 -13.887 1.00 0.00 C ATOM 544 O HIS A 121 24.629 0.275 -14.653 1.00 0.00 O ATOM 545 CB HIS A 121 27.616 -1.263 -14.462 1.00 0.00 C ATOM 546 CG HIS A 121 29.088 -1.158 -14.147 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.713 0.057 -13.884 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.082 -2.095 -14.029 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.007 -0.216 -13.631 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.300 -1.515 -13.704 1.00 0.00 N ATOM 0 H HIS A 121 27.459 -1.070 -11.987 1.00 0.00 H new ATOM 0 HA HIS A 121 27.038 0.777 -14.225 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.250 -2.245 -14.162 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.469 -1.183 -15.539 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.935 -3.155 -14.172 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.737 0.543 -13.392 1.00 0.00 H new ATOM 0 HE2 HIS A 121 32.200 -1.971 -13.557 1.00 0.00 H new ATOM 558 N LEU A 122 24.778 -1.379 -13.121 1.00 0.00 N ATOM 559 CA LEU A 122 23.354 -1.660 -13.106 1.00 0.00 C ATOM 560 C LEU A 122 22.667 -0.648 -12.189 1.00 0.00 C ATOM 561 O LEU A 122 22.312 -0.970 -11.055 1.00 0.00 O ATOM 562 CB LEU A 122 23.109 -3.100 -12.622 1.00 0.00 C ATOM 563 CG LEU A 122 22.917 -4.034 -13.821 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.237 -4.211 -14.572 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.432 -5.394 -13.327 1.00 0.00 C ATOM 0 H LEU A 122 25.329 -1.976 -12.504 1.00 0.00 H new ATOM 0 HA LEU A 122 22.940 -1.571 -14.110 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.952 -3.438 -12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.227 -3.132 -11.982 1.00 0.00 H new ATOM 0 HG LEU A 122 22.181 -3.598 -14.496 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.086 -4.877 -15.421 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.586 -3.242 -14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.982 -4.641 -13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.294 -6.062 -14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.171 -5.819 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.484 -5.274 -12.803 1.00 0.00 H new ATOM 577 N LYS A 123 22.487 0.582 -12.689 1.00 0.00 N ATOM 578 CA LYS A 123 21.858 1.653 -11.926 1.00 0.00 C ATOM 579 C LYS A 123 20.370 1.352 -11.735 1.00 0.00 C ATOM 580 O LYS A 123 19.519 1.938 -12.401 1.00 0.00 O ATOM 581 CB LYS A 123 22.064 2.983 -12.659 1.00 0.00 C ATOM 582 CG LYS A 123 23.562 3.311 -12.723 1.00 0.00 C ATOM 583 CD LYS A 123 23.768 4.745 -13.227 1.00 0.00 C ATOM 584 CE LYS A 123 23.325 4.859 -14.690 1.00 0.00 C ATOM 585 NZ LYS A 123 23.702 6.166 -15.257 1.00 0.00 N ATOM 0 H LYS A 123 22.774 0.855 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 123 22.315 1.725 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.652 2.922 -13.666 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.529 3.780 -12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.009 3.197 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.068 2.609 -13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.198 5.440 -12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.818 5.024 -13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.781 4.060 -15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.245 4.727 -14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 23.391 6.217 -16.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.247 6.925 -14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.735 6.279 -15.212 1.00 0.00 H new ATOM 599 N GLY A 124 20.070 0.432 -10.816 1.00 0.00 N ATOM 600 CA GLY A 124 18.709 0.029 -10.524 1.00 0.00 C ATOM 601 C GLY A 124 18.727 -1.203 -9.626 1.00 0.00 C ATOM 602 O GLY A 124 17.991 -1.265 -8.639 1.00 0.00 O ATOM 0 H GLY A 124 20.772 -0.051 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.175 0.842 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.176 -0.190 -11.449 1.00 0.00 H new ATOM 606 N ARG A 125 19.577 -2.178 -9.972 1.00 0.00 N ATOM 607 CA ARG A 125 19.720 -3.405 -9.204 1.00 0.00 C ATOM 608 C ARG A 125 20.880 -3.243 -8.228 1.00 0.00 C ATOM 609 O ARG A 125 22.032 -3.145 -8.649 1.00 0.00 O ATOM 610 CB ARG A 125 19.993 -4.582 -10.152 1.00 0.00 C ATOM 611 CG ARG A 125 18.884 -4.711 -11.206 1.00 0.00 C ATOM 612 CD ARG A 125 17.609 -5.281 -10.579 1.00 0.00 C ATOM 613 NE ARG A 125 16.572 -5.434 -11.604 1.00 0.00 N ATOM 614 CZ ARG A 125 15.457 -6.162 -11.433 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.203 -6.749 -10.258 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.593 -6.301 -12.445 1.00 0.00 N ATOM 0 H ARG A 125 20.181 -2.131 -10.793 1.00 0.00 H new ATOM 0 HA ARG A 125 18.802 -3.605 -8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.954 -4.440 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.063 -5.506 -9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.675 -3.735 -11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.218 -5.359 -12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.821 -6.245 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.256 -4.619 -9.788 1.00 0.00 H new ATOM 0 HE ARG A 125 16.705 -4.961 -12.498 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.859 -6.645 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.354 -7.300 -10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.783 -5.855 -13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.745 -6.853 -12.319 1.00 0.00 H new ATOM 630 N ILE A 126 20.583 -3.215 -6.925 1.00 0.00 N ATOM 631 CA ILE A 126 21.619 -3.074 -5.914 1.00 0.00 C ATOM 632 C ILE A 126 22.456 -4.356 -5.850 1.00 0.00 C ATOM 633 O ILE A 126 22.135 -5.353 -6.502 1.00 0.00 O ATOM 634 CB ILE A 126 20.991 -2.743 -4.548 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.914 -3.777 -4.190 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.366 -1.344 -4.602 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.674 -3.781 -2.679 1.00 0.00 C ATOM 0 H ILE A 126 19.636 -3.288 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 126 22.278 -2.249 -6.183 1.00 0.00 H new ATOM 0 HB ILE A 126 21.768 -2.770 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 126 18.987 -3.544 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.226 -4.768 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.920 -1.107 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.137 -0.610 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.596 -1.319 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.909 -4.517 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.600 -4.036 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.342 -2.793 -2.361 1.00 0.00 H new ATOM 649 N GLY A 127 23.535 -4.320 -5.062 1.00 0.00 N ATOM 650 CA GLY A 127 24.442 -5.449 -4.924 1.00 0.00 C ATOM 651 C GLY A 127 23.707 -6.721 -4.493 1.00 0.00 C ATOM 652 O GLY A 127 24.181 -7.823 -4.769 1.00 0.00 O ATOM 0 H GLY A 127 23.798 -3.507 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.949 -5.626 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.212 -5.209 -4.191 1.00 0.00 H new ATOM 656 N LYS A 128 22.555 -6.581 -3.816 1.00 0.00 N ATOM 657 CA LYS A 128 21.810 -7.734 -3.344 1.00 0.00 C ATOM 658 C LYS A 128 21.129 -8.402 -4.524 1.00 0.00 C ATOM 659 O LYS A 128 21.201 -9.611 -4.675 1.00 0.00 O ATOM 660 CB LYS A 128 20.781 -7.301 -2.295 1.00 0.00 C ATOM 661 CG LYS A 128 20.265 -8.538 -1.545 1.00 0.00 C ATOM 662 CD LYS A 128 19.064 -8.156 -0.672 1.00 0.00 C ATOM 663 CE LYS A 128 17.758 -8.325 -1.460 1.00 0.00 C ATOM 664 NZ LYS A 128 17.387 -9.750 -1.590 1.00 0.00 N ATOM 0 H LYS A 128 22.131 -5.681 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 128 22.490 -8.446 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.233 -6.600 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.952 -6.781 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.977 -9.312 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.058 -8.955 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.041 -8.781 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.163 -7.124 -0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.956 -7.783 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.870 -7.885 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.352 -9.844 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.739 -10.119 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.809 -10.291 -0.808 1.00 0.00 H new ATOM 678 N GLN A 129 20.468 -7.601 -5.361 1.00 0.00 N ATOM 679 CA GLN A 129 19.778 -8.103 -6.532 1.00 0.00 C ATOM 680 C GLN A 129 20.762 -8.832 -7.444 1.00 0.00 C ATOM 681 O GLN A 129 20.504 -9.960 -7.859 1.00 0.00 O ATOM 682 CB GLN A 129 19.138 -6.927 -7.284 1.00 0.00 C ATOM 683 CG GLN A 129 17.671 -6.764 -6.890 1.00 0.00 C ATOM 684 CD GLN A 129 17.506 -5.803 -5.725 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.789 -6.150 -4.582 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.040 -4.588 -6.024 1.00 0.00 N ATOM 0 H GLN A 129 20.401 -6.590 -5.240 1.00 0.00 H new ATOM 0 HA GLN A 129 19.001 -8.803 -6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.683 -6.009 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.214 -7.092 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.103 -6.400 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.256 -7.736 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.820 -4.350 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.904 -3.898 -5.285 1.00 0.00 H new ATOM 695 N CYS A 130 21.885 -8.177 -7.758 1.00 0.00 N ATOM 696 CA CYS A 130 22.894 -8.742 -8.643 1.00 0.00 C ATOM 697 C CYS A 130 23.413 -10.067 -8.085 1.00 0.00 C ATOM 698 O CYS A 130 23.378 -11.087 -8.776 1.00 0.00 O ATOM 699 CB CYS A 130 24.037 -7.738 -8.813 1.00 0.00 C ATOM 700 SG CYS A 130 23.405 -6.263 -9.654 1.00 0.00 S ATOM 0 H CYS A 130 22.114 -7.247 -7.406 1.00 0.00 H new ATOM 0 HA CYS A 130 22.449 -8.942 -9.618 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.450 -7.469 -7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.847 -8.183 -9.391 1.00 0.00 H new ATOM 0 HG CYS A 130 24.368 -5.402 -9.802 1.00 0.00 H new ATOM 706 N ARG A 131 23.898 -10.053 -6.836 1.00 0.00 N ATOM 707 CA ARG A 131 24.435 -11.249 -6.202 1.00 0.00 C ATOM 708 C ARG A 131 23.373 -12.348 -6.160 1.00 0.00 C ATOM 709 O ARG A 131 23.664 -13.502 -6.461 1.00 0.00 O ATOM 710 CB ARG A 131 24.919 -10.897 -4.786 1.00 0.00 C ATOM 711 CG ARG A 131 25.700 -12.074 -4.183 1.00 0.00 C ATOM 712 CD ARG A 131 24.776 -12.937 -3.315 1.00 0.00 C ATOM 713 NE ARG A 131 25.403 -14.232 -3.018 1.00 0.00 N ATOM 714 CZ ARG A 131 24.716 -15.296 -2.565 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.400 -15.199 -2.325 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.349 -16.456 -2.351 1.00 0.00 N ATOM 0 H ARG A 131 23.926 -9.220 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 131 25.279 -11.623 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.552 -10.011 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.066 -10.655 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.131 -12.679 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.529 -11.700 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.550 -12.415 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.828 -13.096 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 131 26.408 -14.329 -3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.916 -14.316 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.883 -16.009 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.350 -16.532 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.830 -17.264 -2.007 1.00 0.00 H new ATOM 730 N GLU A 132 22.147 -11.984 -5.777 1.00 0.00 N ATOM 731 CA GLU A 132 21.047 -12.928 -5.668 1.00 0.00 C ATOM 732 C GLU A 132 20.802 -13.603 -7.015 1.00 0.00 C ATOM 733 O GLU A 132 21.020 -14.802 -7.143 1.00 0.00 O ATOM 734 CB GLU A 132 19.802 -12.175 -5.176 1.00 0.00 C ATOM 735 CG GLU A 132 18.628 -13.135 -4.979 1.00 0.00 C ATOM 736 CD GLU A 132 17.407 -12.381 -4.462 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.585 -11.604 -3.494 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.319 -12.589 -5.043 1.00 0.00 O ATOM 0 H GLU A 132 21.895 -11.026 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 132 21.288 -13.713 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.025 -11.669 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.530 -11.404 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.388 -13.625 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.905 -13.919 -4.274 1.00 0.00 H new ATOM 745 N ARG A 133 20.355 -12.830 -8.014 1.00 0.00 N ATOM 746 CA ARG A 133 20.069 -13.352 -9.349 1.00 0.00 C ATOM 747 C ARG A 133 21.137 -14.359 -9.765 1.00 0.00 C ATOM 748 O ARG A 133 20.817 -15.454 -10.232 1.00 0.00 O ATOM 749 CB ARG A 133 20.030 -12.175 -10.337 1.00 0.00 C ATOM 750 CG ARG A 133 19.659 -12.652 -11.750 1.00 0.00 C ATOM 751 CD ARG A 133 18.220 -13.173 -11.780 1.00 0.00 C ATOM 752 NE ARG A 133 17.730 -13.259 -13.162 1.00 0.00 N ATOM 753 CZ ARG A 133 16.570 -13.846 -13.504 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.857 -14.502 -12.589 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.128 -13.774 -14.762 1.00 0.00 N ATOM 0 H ARG A 133 20.183 -11.829 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 133 19.107 -13.864 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.305 -11.435 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.002 -11.682 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.769 -11.831 -12.458 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.344 -13.439 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.173 -14.155 -11.310 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.576 -12.512 -11.201 1.00 0.00 H new ATOM 0 HE ARG A 133 18.301 -12.851 -13.902 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.191 -14.559 -11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.977 -14.947 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.671 -13.273 -15.465 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.248 -14.220 -15.020 1.00 0.00 H new ATOM 769 N TRP A 134 22.405 -13.980 -9.599 1.00 0.00 N ATOM 770 CA TRP A 134 23.514 -14.814 -10.000 1.00 0.00 C ATOM 771 C TRP A 134 23.572 -16.110 -9.182 1.00 0.00 C ATOM 772 O TRP A 134 23.577 -17.198 -9.758 1.00 0.00 O ATOM 773 CB TRP A 134 24.816 -14.021 -9.869 1.00 0.00 C ATOM 774 CG TRP A 134 25.893 -14.506 -10.773 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.062 -15.048 -10.393 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.908 -14.523 -12.226 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.809 -15.410 -11.486 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.135 -15.112 -12.659 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.008 -14.104 -13.235 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.440 -15.287 -14.008 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.310 -14.282 -14.587 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.517 -14.881 -14.976 1.00 0.00 C ATOM 0 H TRP A 134 22.680 -13.090 -9.184 1.00 0.00 H new ATOM 0 HA TRP A 134 23.374 -15.105 -11.041 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.617 -12.971 -10.083 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.165 -14.076 -8.838 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.372 -15.181 -9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.733 -15.839 -11.441 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.074 -13.640 -12.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.379 -15.731 -14.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.608 -13.955 -15.340 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.733 -15.029 -16.024 1.00 0.00 H new ATOM 793 N HIS A 135 23.629 -15.996 -7.848 1.00 0.00 N ATOM 794 CA HIS A 135 23.760 -17.159 -6.970 1.00 0.00 C ATOM 795 C HIS A 135 22.396 -17.783 -6.639 1.00 0.00 C ATOM 796 O HIS A 135 22.214 -18.316 -5.546 1.00 0.00 O ATOM 797 CB HIS A 135 24.487 -16.734 -5.690 1.00 0.00 C ATOM 798 CG HIS A 135 25.934 -16.396 -5.935 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.961 -17.312 -5.739 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.559 -15.254 -6.365 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.110 -16.681 -6.051 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.934 -15.419 -6.442 1.00 0.00 N ATOM 0 H HIS A 135 23.586 -15.104 -7.355 1.00 0.00 H new ATOM 0 HA HIS A 135 24.338 -17.924 -7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.983 -15.869 -5.260 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.424 -17.537 -4.956 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.864 -18.276 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.044 -14.338 -6.613 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.080 -17.152 -5.990 1.00 0.00 H new ATOM 810 N ASN A 136 21.447 -17.733 -7.584 1.00 0.00 N ATOM 811 CA ASN A 136 20.133 -18.353 -7.409 1.00 0.00 C ATOM 812 C ASN A 136 19.819 -19.179 -8.628 1.00 0.00 C ATOM 813 O ASN A 136 19.704 -20.400 -8.554 1.00 0.00 O ATOM 814 CB ASN A 136 19.047 -17.286 -7.231 1.00 0.00 C ATOM 815 CG ASN A 136 18.917 -16.884 -5.779 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.882 -17.102 -5.157 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.968 -16.300 -5.241 1.00 0.00 N ATOM 0 H ASN A 136 21.570 -17.265 -8.482 1.00 0.00 H new ATOM 0 HA ASN A 136 20.154 -18.979 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.289 -16.411 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.093 -17.669 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.944 -16.007 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.806 -16.141 -5.801 1.00 0.00 H new ATOM 824 N HIS A 137 19.665 -18.493 -9.753 1.00 0.00 N ATOM 825 CA HIS A 137 19.308 -19.141 -11.006 1.00 0.00 C ATOM 826 C HIS A 137 19.862 -18.372 -12.209 1.00 0.00 C ATOM 827 O HIS A 137 19.106 -17.742 -12.947 1.00 0.00 O ATOM 828 CB HIS A 137 17.777 -19.261 -11.083 1.00 0.00 C ATOM 829 CG HIS A 137 17.054 -18.007 -10.648 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.759 -18.028 -10.141 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.415 -16.683 -10.629 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.430 -16.752 -9.857 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.400 -15.878 -10.133 1.00 0.00 N ATOM 0 H HIS A 137 19.783 -17.482 -9.822 1.00 0.00 H new ATOM 0 HA HIS A 137 19.753 -20.136 -11.035 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.490 -19.500 -12.107 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.453 -20.093 -10.458 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.171 -18.851 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.374 -16.312 -10.960 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.474 -16.465 -9.446 1.00 0.00 H new ATOM 841 N LEU A 138 21.186 -18.441 -12.416 1.00 0.00 N ATOM 842 CA LEU A 138 21.818 -17.800 -13.564 1.00 0.00 C ATOM 843 C LEU A 138 23.246 -18.321 -13.729 1.00 0.00 C ATOM 844 O LEU A 138 23.538 -18.988 -14.715 1.00 0.00 O ATOM 845 CB LEU A 138 21.811 -16.264 -13.390 1.00 0.00 C ATOM 846 CG LEU A 138 21.600 -15.545 -14.737 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.564 -16.089 -15.794 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.156 -15.720 -15.216 1.00 0.00 C ATOM 0 H LEU A 138 21.833 -18.935 -11.801 1.00 0.00 H new ATOM 0 HA LEU A 138 21.254 -18.043 -14.464 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.020 -15.979 -12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.754 -15.942 -12.948 1.00 0.00 H new ATOM 0 HG LEU A 138 21.800 -14.484 -14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.400 -15.569 -16.738 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.591 -15.930 -15.466 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.388 -17.156 -15.932 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.024 -15.206 -16.168 1.00 0.00 H new ATOM 0 HD22 LEU A 138 19.941 -16.781 -15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.474 -15.297 -14.478 1.00 0.00 H new