USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 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 HE2:sc= -0.191 X(o=-0.19,f=-0.54) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.557 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.443 K(o=0.44,f=-0.15) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.17) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc= -0.0089 (180deg=-0.165) 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+ -153:sc= 0.975 (180deg=-1.06!) USER MOD Single : A 129 GLN : amide:sc= -0.543 K(o=-0.54,f=-11!) USER MOD Single : A 130 CYS SG : rot 96:sc= 0.0196 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 0.58 K(o=0.58,f=-0.12) USER MOD Single : A 137 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.281 -8.632 -13.311 1.00 0.00 N ATOM 85 CA TRP A 95 14.463 -8.653 -14.169 1.00 0.00 C ATOM 86 C TRP A 95 14.077 -8.775 -15.650 1.00 0.00 C ATOM 87 O TRP A 95 12.919 -9.018 -15.987 1.00 0.00 O ATOM 88 CB TRP A 95 15.403 -9.783 -13.730 1.00 0.00 C ATOM 89 CG TRP A 95 16.258 -9.432 -12.555 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.861 -9.401 -11.271 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.662 -9.044 -12.532 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.890 -9.020 -10.445 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.039 -8.779 -11.177 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.661 -8.887 -13.515 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.327 -8.372 -10.825 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.960 -8.476 -13.166 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.293 -8.216 -11.825 1.00 0.00 C ATOM 0 HA TRP A 95 14.992 -7.706 -14.061 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.809 -10.663 -13.485 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.046 -10.055 -14.567 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.864 -9.644 -10.933 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.817 -8.927 -9.432 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.425 -9.085 -14.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.575 -8.180 -9.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.709 -8.359 -13.935 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.292 -7.897 -11.567 1.00 0.00 H new ATOM 108 N THR A 96 15.066 -8.588 -16.536 1.00 0.00 N ATOM 109 CA THR A 96 14.855 -8.666 -17.975 1.00 0.00 C ATOM 110 C THR A 96 16.020 -9.417 -18.611 1.00 0.00 C ATOM 111 O THR A 96 17.072 -9.567 -17.993 1.00 0.00 O ATOM 112 CB THR A 96 14.741 -7.249 -18.572 1.00 0.00 C ATOM 113 OG1 THR A 96 16.025 -6.672 -18.679 1.00 0.00 O ATOM 114 CG2 THR A 96 13.862 -6.363 -17.685 1.00 0.00 C ATOM 0 H THR A 96 16.028 -8.380 -16.269 1.00 0.00 H new ATOM 0 HA THR A 96 13.927 -9.200 -18.179 1.00 0.00 H new ATOM 0 HB THR A 96 14.287 -7.325 -19.560 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.949 -5.772 -19.060 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.792 -5.367 -18.121 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.865 -6.797 -17.611 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.302 -6.294 -16.690 1.00 0.00 H new ATOM 122 N LYS A 97 15.834 -9.883 -19.851 1.00 0.00 N ATOM 123 CA LYS A 97 16.877 -10.601 -20.569 1.00 0.00 C ATOM 124 C LYS A 97 18.113 -9.710 -20.715 1.00 0.00 C ATOM 125 O LYS A 97 19.238 -10.192 -20.628 1.00 0.00 O ATOM 126 CB LYS A 97 16.344 -11.024 -21.943 1.00 0.00 C ATOM 127 CG LYS A 97 17.391 -11.885 -22.663 1.00 0.00 C ATOM 128 CD LYS A 97 16.786 -12.508 -23.928 1.00 0.00 C ATOM 129 CE LYS A 97 16.489 -11.417 -24.963 1.00 0.00 C ATOM 130 NZ LYS A 97 16.104 -12.007 -26.258 1.00 0.00 N ATOM 0 H LYS A 97 14.966 -9.772 -20.374 1.00 0.00 H new ATOM 0 HA LYS A 97 17.164 -11.494 -20.013 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.416 -11.584 -21.827 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.111 -10.142 -22.540 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.255 -11.275 -22.927 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.747 -12.671 -21.997 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.476 -13.240 -24.348 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.869 -13.041 -23.677 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.687 -10.775 -24.599 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.368 -10.786 -25.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.908 -11.248 -26.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.880 -12.601 -26.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.251 -12.590 -26.134 1.00 0.00 H new ATOM 144 N GLU A 98 17.893 -8.409 -20.937 1.00 0.00 N ATOM 145 CA GLU A 98 18.977 -7.452 -21.094 1.00 0.00 C ATOM 146 C GLU A 98 19.704 -7.285 -19.764 1.00 0.00 C ATOM 147 O GLU A 98 20.925 -7.389 -19.708 1.00 0.00 O ATOM 148 CB GLU A 98 18.403 -6.114 -21.581 1.00 0.00 C ATOM 149 CG GLU A 98 19.537 -5.107 -21.840 1.00 0.00 C ATOM 150 CD GLU A 98 20.010 -4.442 -20.547 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.138 -3.925 -19.817 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.237 -4.460 -20.310 1.00 0.00 O ATOM 0 H GLU A 98 16.962 -7.999 -21.011 1.00 0.00 H new ATOM 0 HA GLU A 98 19.693 -7.812 -21.833 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.829 -6.268 -22.495 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.715 -5.713 -20.836 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.375 -5.617 -22.314 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.193 -4.343 -22.537 1.00 0.00 H new ATOM 159 N GLU A 99 18.947 -7.025 -18.695 1.00 0.00 N ATOM 160 CA GLU A 99 19.515 -6.834 -17.373 1.00 0.00 C ATOM 161 C GLU A 99 20.361 -8.056 -16.994 1.00 0.00 C ATOM 162 O GLU A 99 21.488 -7.911 -16.519 1.00 0.00 O ATOM 163 CB GLU A 99 18.376 -6.597 -16.373 1.00 0.00 C ATOM 164 CG GLU A 99 18.893 -5.800 -15.174 1.00 0.00 C ATOM 165 CD GLU A 99 17.790 -5.553 -14.150 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.639 -5.951 -14.434 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.115 -4.964 -13.095 1.00 0.00 O ATOM 0 H GLU A 99 17.931 -6.943 -18.728 1.00 0.00 H new ATOM 0 HA GLU A 99 20.170 -5.963 -17.360 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.562 -6.056 -16.857 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.970 -7.551 -16.038 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.714 -6.341 -14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.294 -4.846 -15.516 1.00 0.00 H new ATOM 174 N ASP A 100 19.817 -9.261 -17.221 1.00 0.00 N ATOM 175 CA ASP A 100 20.528 -10.502 -16.940 1.00 0.00 C ATOM 176 C ASP A 100 21.785 -10.587 -17.805 1.00 0.00 C ATOM 177 O ASP A 100 22.865 -10.895 -17.304 1.00 0.00 O ATOM 178 CB ASP A 100 19.605 -11.696 -17.216 1.00 0.00 C ATOM 179 CG ASP A 100 18.836 -12.094 -15.972 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.480 -12.630 -15.046 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.612 -11.859 -15.963 1.00 0.00 O ATOM 0 H ASP A 100 18.880 -9.395 -17.601 1.00 0.00 H new ATOM 0 HA ASP A 100 20.826 -10.522 -15.892 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.906 -11.442 -18.013 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.196 -12.542 -17.568 1.00 0.00 H new ATOM 186 N GLN A 101 21.645 -10.309 -19.109 1.00 0.00 N ATOM 187 CA GLN A 101 22.771 -10.343 -20.033 1.00 0.00 C ATOM 188 C GLN A 101 23.874 -9.409 -19.533 1.00 0.00 C ATOM 189 O GLN A 101 25.059 -9.724 -19.654 1.00 0.00 O ATOM 190 CB GLN A 101 22.289 -9.938 -21.436 1.00 0.00 C ATOM 191 CG GLN A 101 23.457 -9.935 -22.432 1.00 0.00 C ATOM 192 CD GLN A 101 24.080 -11.321 -22.565 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.602 -12.147 -23.337 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.151 -11.574 -21.813 1.00 0.00 N ATOM 0 H GLN A 101 20.756 -10.058 -19.542 1.00 0.00 H new ATOM 0 HA GLN A 101 23.181 -11.351 -20.088 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.518 -10.630 -21.775 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.835 -8.948 -21.398 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.105 -9.598 -23.407 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.215 -9.224 -22.104 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.514 -10.857 -21.185 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.608 -12.485 -21.866 1.00 0.00 H new ATOM 203 N ARG A 102 23.483 -8.261 -18.967 1.00 0.00 N ATOM 204 CA ARG A 102 24.438 -7.304 -18.442 1.00 0.00 C ATOM 205 C ARG A 102 25.235 -7.948 -17.307 1.00 0.00 C ATOM 206 O ARG A 102 26.454 -7.838 -17.276 1.00 0.00 O ATOM 207 CB ARG A 102 23.703 -6.046 -17.960 1.00 0.00 C ATOM 208 CG ARG A 102 24.534 -4.806 -18.310 1.00 0.00 C ATOM 209 CD ARG A 102 23.916 -3.559 -17.672 1.00 0.00 C ATOM 210 NE ARG A 102 22.551 -3.326 -18.165 1.00 0.00 N ATOM 211 CZ ARG A 102 21.769 -2.330 -17.713 1.00 0.00 C ATOM 212 NH1 ARG A 102 22.263 -1.418 -16.862 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.495 -2.247 -18.111 1.00 0.00 N ATOM 0 H ARG A 102 22.508 -7.981 -18.865 1.00 0.00 H new ATOM 0 HA ARG A 102 25.134 -7.009 -19.227 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.721 -5.983 -18.428 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.540 -6.096 -16.883 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.558 -4.934 -17.958 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.581 -4.684 -19.392 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.899 -3.673 -16.588 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.537 -2.690 -17.891 1.00 0.00 H new ATOM 0 HE ARG A 102 22.180 -3.948 -18.883 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.234 -1.479 -16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.667 -0.664 -16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.117 -2.939 -18.757 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.902 -1.491 -17.768 1.00 0.00 H new ATOM 227 N VAL A 103 24.548 -8.631 -16.376 1.00 0.00 N ATOM 228 CA VAL A 103 25.219 -9.302 -15.265 1.00 0.00 C ATOM 229 C VAL A 103 26.207 -10.329 -15.813 1.00 0.00 C ATOM 230 O VAL A 103 27.359 -10.358 -15.393 1.00 0.00 O ATOM 231 CB VAL A 103 24.186 -9.979 -14.349 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.900 -10.831 -13.295 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.353 -8.918 -13.637 1.00 0.00 C ATOM 0 H VAL A 103 23.533 -8.729 -16.376 1.00 0.00 H new ATOM 0 HA VAL A 103 25.764 -8.565 -14.675 1.00 0.00 H new ATOM 0 HB VAL A 103 23.541 -10.611 -14.959 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.161 -11.307 -12.650 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.497 -11.597 -13.790 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.551 -10.196 -12.694 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.623 -9.403 -12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.006 -8.285 -13.037 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.834 -8.307 -14.375 1.00 0.00 H new ATOM 243 N ILE A 104 25.753 -11.171 -16.754 1.00 0.00 N ATOM 244 CA ILE A 104 26.603 -12.192 -17.358 1.00 0.00 C ATOM 245 C ILE A 104 27.884 -11.549 -17.891 1.00 0.00 C ATOM 246 O ILE A 104 28.986 -11.986 -17.555 1.00 0.00 O ATOM 247 CB ILE A 104 25.837 -12.896 -18.494 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.711 -13.763 -17.915 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.799 -13.781 -19.302 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.818 -14.283 -19.043 1.00 0.00 C ATOM 0 H ILE A 104 24.797 -11.159 -17.110 1.00 0.00 H new ATOM 0 HA ILE A 104 26.874 -12.934 -16.606 1.00 0.00 H new ATOM 0 HB ILE A 104 25.405 -12.138 -19.147 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.134 -14.600 -17.360 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.118 -13.180 -17.210 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.251 -14.276 -20.104 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.589 -13.164 -19.730 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.240 -14.532 -18.646 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.022 -14.897 -18.623 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.382 -13.440 -19.579 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.414 -14.882 -19.732 1.00 0.00 H new ATOM 262 N GLU A 105 27.734 -10.514 -18.726 1.00 0.00 N ATOM 263 CA GLU A 105 28.870 -9.836 -19.326 1.00 0.00 C ATOM 264 C GLU A 105 29.792 -9.275 -18.243 1.00 0.00 C ATOM 265 O GLU A 105 30.976 -9.581 -18.229 1.00 0.00 O ATOM 266 CB GLU A 105 28.370 -8.713 -20.242 1.00 0.00 C ATOM 267 CG GLU A 105 29.541 -8.154 -21.060 1.00 0.00 C ATOM 268 CD GLU A 105 29.164 -6.840 -21.730 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.115 -6.827 -22.405 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.938 -5.871 -21.554 1.00 0.00 O ATOM 0 H GLU A 105 26.828 -10.132 -18.998 1.00 0.00 H new ATOM 0 HA GLU A 105 29.441 -10.551 -19.918 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.596 -9.092 -20.909 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.918 -7.920 -19.647 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.402 -8.000 -20.410 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.839 -8.879 -21.817 1.00 0.00 H new ATOM 277 N LEU A 106 29.244 -8.445 -17.348 1.00 0.00 N ATOM 278 CA LEU A 106 30.023 -7.798 -16.297 1.00 0.00 C ATOM 279 C LEU A 106 30.802 -8.827 -15.474 1.00 0.00 C ATOM 280 O LEU A 106 31.988 -8.633 -15.215 1.00 0.00 O ATOM 281 CB LEU A 106 29.087 -6.983 -15.398 1.00 0.00 C ATOM 282 CG LEU A 106 28.522 -5.774 -16.166 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.407 -5.128 -15.340 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.629 -4.746 -16.419 1.00 0.00 C ATOM 0 H LEU A 106 28.252 -8.207 -17.335 1.00 0.00 H new ATOM 0 HA LEU A 106 30.750 -7.130 -16.759 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.270 -7.613 -15.047 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.627 -6.641 -14.515 1.00 0.00 H new ATOM 0 HG LEU A 106 28.126 -6.112 -17.124 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.004 -4.271 -15.880 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.613 -5.855 -15.169 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.809 -4.797 -14.382 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.218 -3.895 -16.963 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.035 -4.406 -15.466 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.423 -5.204 -17.008 1.00 0.00 H new ATOM 296 N VAL A 107 30.145 -9.917 -15.061 1.00 0.00 N ATOM 297 CA VAL A 107 30.796 -10.954 -14.267 1.00 0.00 C ATOM 298 C VAL A 107 31.921 -11.604 -15.075 1.00 0.00 C ATOM 299 O VAL A 107 32.956 -11.946 -14.519 1.00 0.00 O ATOM 300 CB VAL A 107 29.757 -11.996 -13.820 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.459 -13.279 -13.358 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.941 -11.430 -12.655 1.00 0.00 C ATOM 0 H VAL A 107 29.163 -10.100 -15.266 1.00 0.00 H new ATOM 0 HA VAL A 107 31.237 -10.507 -13.376 1.00 0.00 H new ATOM 0 HB VAL A 107 29.103 -12.226 -14.661 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.713 -14.009 -13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.045 -13.690 -14.180 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.119 -13.051 -12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.203 -12.166 -12.336 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.606 -11.199 -11.823 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.431 -10.521 -12.975 1.00 0.00 H new ATOM 312 N GLN A 108 31.722 -11.772 -16.384 1.00 0.00 N ATOM 313 CA GLN A 108 32.733 -12.378 -17.238 1.00 0.00 C ATOM 314 C GLN A 108 33.868 -11.379 -17.490 1.00 0.00 C ATOM 315 O GLN A 108 35.009 -11.777 -17.713 1.00 0.00 O ATOM 316 CB GLN A 108 32.080 -12.818 -18.553 1.00 0.00 C ATOM 317 CG GLN A 108 33.069 -13.652 -19.373 1.00 0.00 C ATOM 318 CD GLN A 108 32.365 -14.342 -20.535 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.338 -15.567 -20.609 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.793 -13.552 -21.444 1.00 0.00 N ATOM 0 H GLN A 108 30.869 -11.496 -16.871 1.00 0.00 H new ATOM 0 HA GLN A 108 33.159 -13.254 -16.749 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.183 -13.402 -18.346 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.767 -11.944 -19.124 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.864 -13.011 -19.753 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.540 -14.398 -18.733 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.841 -12.538 -21.341 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.307 -13.961 -22.242 1.00 0.00 H new ATOM 329 N LYS A 109 33.544 -10.081 -17.453 1.00 0.00 N ATOM 330 CA LYS A 109 34.510 -9.023 -17.689 1.00 0.00 C ATOM 331 C LYS A 109 35.417 -8.858 -16.467 1.00 0.00 C ATOM 332 O LYS A 109 36.627 -9.045 -16.564 1.00 0.00 O ATOM 333 CB LYS A 109 33.752 -7.717 -17.988 1.00 0.00 C ATOM 334 CG LYS A 109 34.109 -7.210 -19.387 1.00 0.00 C ATOM 335 CD LYS A 109 33.161 -6.070 -19.771 1.00 0.00 C ATOM 336 CE LYS A 109 33.397 -5.669 -21.229 1.00 0.00 C ATOM 337 NZ LYS A 109 32.386 -4.695 -21.679 1.00 0.00 N ATOM 0 H LYS A 109 32.602 -9.743 -17.258 1.00 0.00 H new ATOM 0 HA LYS A 109 35.139 -9.276 -18.542 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.678 -7.887 -17.917 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.005 -6.962 -17.244 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.142 -6.862 -19.407 1.00 0.00 H new ATOM 0 HG3 LYS A 109 34.032 -8.021 -20.111 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.126 -6.383 -19.633 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.324 -5.213 -19.117 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.393 -5.240 -21.335 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.362 -6.554 -21.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.472 -4.554 -22.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.435 -5.054 -21.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.536 -3.789 -21.192 1.00 0.00 H new ATOM 351 N TYR A 110 34.825 -8.500 -15.319 1.00 0.00 N ATOM 352 CA TYR A 110 35.576 -8.288 -14.091 1.00 0.00 C ATOM 353 C TYR A 110 35.792 -9.616 -13.371 1.00 0.00 C ATOM 354 O TYR A 110 36.930 -10.054 -13.199 1.00 0.00 O ATOM 355 CB TYR A 110 34.814 -7.311 -13.185 1.00 0.00 C ATOM 356 CG TYR A 110 34.541 -5.964 -13.824 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.594 -5.222 -14.391 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.232 -5.447 -13.839 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.337 -3.969 -14.973 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.979 -4.194 -14.418 1.00 0.00 C ATOM 361 CZ TYR A 110 34.029 -3.455 -14.986 1.00 0.00 C ATOM 362 OH TYR A 110 33.780 -2.239 -15.548 1.00 0.00 O ATOM 0 H TYR A 110 33.820 -8.352 -15.224 1.00 0.00 H new ATOM 0 HA TYR A 110 36.550 -7.864 -14.335 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.865 -7.764 -12.896 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.386 -7.158 -12.270 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.600 -5.616 -14.379 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.422 -6.015 -13.405 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.145 -3.401 -15.410 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.975 -3.797 -14.427 1.00 0.00 H new ATOM 0 HH TYR A 110 32.825 -2.034 -15.474 1.00 0.00 H new ATOM 372 N GLY A 111 34.695 -10.244 -12.939 1.00 0.00 N ATOM 373 CA GLY A 111 34.746 -11.500 -12.209 1.00 0.00 C ATOM 374 C GLY A 111 33.555 -11.583 -11.255 1.00 0.00 C ATOM 375 O GLY A 111 32.775 -10.635 -11.157 1.00 0.00 O ATOM 0 H GLY A 111 33.750 -9.891 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.727 -12.339 -12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.679 -11.571 -11.650 1.00 0.00 H new ATOM 379 N PRO A 112 33.415 -12.716 -10.543 1.00 0.00 N ATOM 380 CA PRO A 112 32.354 -12.913 -9.574 1.00 0.00 C ATOM 381 C PRO A 112 32.481 -11.897 -8.437 1.00 0.00 C ATOM 382 O PRO A 112 33.476 -11.173 -8.354 1.00 0.00 O ATOM 383 CB PRO A 112 32.517 -14.348 -9.064 1.00 0.00 C ATOM 384 CG PRO A 112 33.808 -14.897 -9.683 1.00 0.00 C ATOM 385 CD PRO A 112 34.310 -13.843 -10.669 1.00 0.00 C ATOM 0 HA PRO A 112 31.366 -12.766 -10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.572 -14.367 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.661 -14.959 -9.350 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.554 -15.091 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.621 -15.843 -10.191 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.336 -13.553 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.308 -14.230 -11.688 1.00 0.00 H new ATOM 393 N LYS A 113 31.465 -11.845 -7.563 1.00 0.00 N ATOM 394 CA LYS A 113 31.440 -10.902 -6.451 1.00 0.00 C ATOM 395 C LYS A 113 31.487 -9.475 -7.009 1.00 0.00 C ATOM 396 O LYS A 113 30.996 -9.232 -8.111 1.00 0.00 O ATOM 397 CB LYS A 113 32.608 -11.181 -5.485 1.00 0.00 C ATOM 398 CG LYS A 113 32.618 -12.662 -5.090 1.00 0.00 C ATOM 399 CD LYS A 113 33.690 -12.901 -4.021 1.00 0.00 C ATOM 400 CE LYS A 113 33.665 -14.366 -3.570 1.00 0.00 C ATOM 401 NZ LYS A 113 34.050 -15.274 -4.668 1.00 0.00 N ATOM 0 H LYS A 113 30.647 -12.453 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 113 30.519 -11.020 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.553 -10.916 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.511 -10.559 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.639 -12.954 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.818 -13.281 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.674 -12.651 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.516 -12.246 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 113 34.345 -14.501 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.666 -14.623 -3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.221 -16.226 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.284 -15.314 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.917 -14.922 -5.122 1.00 0.00 H new ATOM 415 N ARG A 114 32.075 -8.535 -6.253 1.00 0.00 N ATOM 416 CA ARG A 114 32.185 -7.142 -6.685 1.00 0.00 C ATOM 417 C ARG A 114 30.807 -6.623 -7.099 1.00 0.00 C ATOM 418 O ARG A 114 30.669 -5.939 -8.115 1.00 0.00 O ATOM 419 CB ARG A 114 33.180 -7.039 -7.853 1.00 0.00 C ATOM 420 CG ARG A 114 34.539 -7.627 -7.452 1.00 0.00 C ATOM 421 CD ARG A 114 35.402 -7.803 -8.702 1.00 0.00 C ATOM 422 NE ARG A 114 36.677 -8.454 -8.373 1.00 0.00 N ATOM 423 CZ ARG A 114 37.453 -9.053 -9.295 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.094 -9.039 -10.585 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.585 -9.663 -8.922 1.00 0.00 N ATOM 0 H ARG A 114 32.482 -8.720 -5.336 1.00 0.00 H new ATOM 0 HA ARG A 114 32.554 -6.530 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.788 -7.570 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.300 -5.996 -8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.038 -6.968 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.400 -8.586 -6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.864 -8.400 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.592 -6.831 -9.157 1.00 0.00 H new ATOM 0 HE ARG A 114 36.988 -8.452 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.232 -8.574 -10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.683 -9.493 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.859 -9.674 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.174 -10.117 -9.620 1.00 0.00 H new ATOM 439 N TRP A 115 29.784 -6.960 -6.307 1.00 0.00 N ATOM 440 CA TRP A 115 28.416 -6.577 -6.602 1.00 0.00 C ATOM 441 C TRP A 115 28.239 -5.063 -6.519 1.00 0.00 C ATOM 442 O TRP A 115 27.268 -4.535 -7.043 1.00 0.00 O ATOM 443 CB TRP A 115 27.478 -7.324 -5.656 1.00 0.00 C ATOM 444 CG TRP A 115 27.591 -8.809 -5.792 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.998 -9.662 -4.838 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.341 -9.634 -6.969 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.039 -10.951 -5.316 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.648 -10.993 -6.644 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.897 -9.376 -8.287 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.537 -12.028 -7.578 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.774 -10.420 -9.226 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.101 -11.737 -8.875 1.00 0.00 C ATOM 0 H TRP A 115 29.889 -7.503 -5.450 1.00 0.00 H new ATOM 0 HA TRP A 115 28.168 -6.856 -7.626 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.701 -7.039 -4.628 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.450 -7.021 -5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.258 -9.374 -3.830 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.319 -11.764 -4.768 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.649 -8.366 -8.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.785 -13.042 -7.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.425 -10.203 -10.225 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.016 -12.527 -9.606 1.00 0.00 H new ATOM 463 N SER A 116 29.184 -4.360 -5.882 1.00 0.00 N ATOM 464 CA SER A 116 29.141 -2.909 -5.815 1.00 0.00 C ATOM 465 C SER A 116 29.380 -2.343 -7.218 1.00 0.00 C ATOM 466 O SER A 116 28.631 -1.486 -7.683 1.00 0.00 O ATOM 467 CB SER A 116 30.205 -2.410 -4.833 1.00 0.00 C ATOM 468 OG SER A 116 30.181 -0.999 -4.785 1.00 0.00 O ATOM 0 H SER A 116 29.984 -4.780 -5.409 1.00 0.00 H new ATOM 0 HA SER A 116 28.167 -2.574 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.020 -2.821 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.191 -2.757 -5.142 1.00 0.00 H new ATOM 0 HG SER A 116 30.861 -0.681 -4.155 1.00 0.00 H new ATOM 474 N VAL A 117 30.428 -2.839 -7.890 1.00 0.00 N ATOM 475 CA VAL A 117 30.769 -2.406 -9.238 1.00 0.00 C ATOM 476 C VAL A 117 29.622 -2.751 -10.187 1.00 0.00 C ATOM 477 O VAL A 117 29.164 -1.902 -10.949 1.00 0.00 O ATOM 478 CB VAL A 117 32.074 -3.098 -9.673 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.394 -2.753 -11.131 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.228 -2.632 -8.778 1.00 0.00 C ATOM 0 H VAL A 117 31.056 -3.548 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 117 30.921 -1.327 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 117 31.948 -4.177 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.319 -3.248 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.580 -3.091 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.511 -1.674 -11.232 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.150 -3.123 -9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.344 -1.552 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.011 -2.889 -7.741 1.00 0.00 H new ATOM 490 N ILE A 118 29.162 -4.003 -10.134 1.00 0.00 N ATOM 491 CA ILE A 118 28.080 -4.474 -10.985 1.00 0.00 C ATOM 492 C ILE A 118 26.811 -3.641 -10.740 1.00 0.00 C ATOM 493 O ILE A 118 26.138 -3.247 -11.692 1.00 0.00 O ATOM 494 CB ILE A 118 27.851 -5.968 -10.701 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.013 -6.782 -11.297 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.529 -6.431 -11.320 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.103 -8.151 -10.623 1.00 0.00 C ATOM 0 H ILE A 118 29.531 -4.712 -9.501 1.00 0.00 H new ATOM 0 HA ILE A 118 28.341 -4.354 -12.036 1.00 0.00 H new ATOM 0 HB ILE A 118 27.806 -6.123 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 118 28.866 -6.906 -12.370 1.00 0.00 H new ATOM 0 HG13 ILE A 118 29.950 -6.241 -11.164 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.381 -7.490 -11.111 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.706 -5.858 -10.892 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.558 -6.275 -12.398 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.929 -8.716 -11.055 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.272 -8.020 -9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.171 -8.695 -10.779 1.00 0.00 H new ATOM 509 N ALA A 119 26.488 -3.373 -9.466 1.00 0.00 N ATOM 510 CA ALA A 119 25.302 -2.598 -9.110 1.00 0.00 C ATOM 511 C ALA A 119 25.400 -1.175 -9.662 1.00 0.00 C ATOM 512 O ALA A 119 24.416 -0.642 -10.168 1.00 0.00 O ATOM 513 CB ALA A 119 25.147 -2.568 -7.590 1.00 0.00 C ATOM 0 H ALA A 119 27.038 -3.686 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 119 24.426 -3.073 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.262 -1.989 -7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.040 -3.586 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.028 -2.107 -7.143 1.00 0.00 H new ATOM 519 N LYS A 120 26.587 -0.557 -9.564 1.00 0.00 N ATOM 520 CA LYS A 120 26.793 0.804 -10.054 1.00 0.00 C ATOM 521 C LYS A 120 26.440 0.896 -11.541 1.00 0.00 C ATOM 522 O LYS A 120 26.007 1.949 -12.008 1.00 0.00 O ATOM 523 CB LYS A 120 28.247 1.224 -9.810 1.00 0.00 C ATOM 524 CG LYS A 120 28.421 1.640 -8.344 1.00 0.00 C ATOM 525 CD LYS A 120 29.909 1.675 -7.976 1.00 0.00 C ATOM 526 CE LYS A 120 30.637 2.724 -8.824 1.00 0.00 C ATOM 527 NZ LYS A 120 32.023 2.910 -8.358 1.00 0.00 N ATOM 0 H LYS A 120 27.416 -0.983 -9.149 1.00 0.00 H new ATOM 0 HA LYS A 120 26.136 1.484 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 120 28.919 0.400 -10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.513 2.052 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.976 2.622 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 120 27.895 0.940 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.024 1.908 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.355 0.693 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.639 2.414 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.102 3.672 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.495 3.625 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.017 3.228 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.537 2.009 -8.429 1.00 0.00 H new ATOM 541 N HIS A 121 26.617 -0.205 -12.283 1.00 0.00 N ATOM 542 CA HIS A 121 26.296 -0.240 -13.700 1.00 0.00 C ATOM 543 C HIS A 121 24.811 -0.546 -13.866 1.00 0.00 C ATOM 544 O HIS A 121 24.140 0.044 -14.716 1.00 0.00 O ATOM 545 CB HIS A 121 27.161 -1.298 -14.389 1.00 0.00 C ATOM 546 CG HIS A 121 28.629 -1.105 -14.108 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.202 0.150 -13.939 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.664 -1.989 -13.949 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.512 -0.050 -13.696 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.861 -1.336 -13.690 1.00 0.00 N ATOM 0 H HIS A 121 26.983 -1.083 -11.915 1.00 0.00 H new ATOM 0 HA HIS A 121 26.504 0.725 -14.162 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.856 -2.289 -14.053 1.00 0.00 H new ATOM 0 HB3 HIS A 121 26.991 -1.260 -15.465 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.723 1.049 -13.989 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.561 -3.062 -14.017 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.212 0.754 -13.523 1.00 0.00 H new ATOM 558 N LEU A 122 24.297 -1.464 -13.041 1.00 0.00 N ATOM 559 CA LEU A 122 22.894 -1.828 -13.063 1.00 0.00 C ATOM 560 C LEU A 122 22.106 -0.849 -12.201 1.00 0.00 C ATOM 561 O LEU A 122 21.592 -1.219 -11.146 1.00 0.00 O ATOM 562 CB LEU A 122 22.732 -3.263 -12.552 1.00 0.00 C ATOM 563 CG LEU A 122 23.119 -4.251 -13.655 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.458 -5.602 -13.038 1.00 0.00 C ATOM 565 CD2 LEU A 122 21.949 -4.420 -14.623 1.00 0.00 C ATOM 0 H LEU A 122 24.847 -1.968 -12.345 1.00 0.00 H new ATOM 0 HA LEU A 122 22.510 -1.780 -14.082 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.359 -3.419 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.701 -3.435 -12.242 1.00 0.00 H new ATOM 0 HG LEU A 122 23.987 -3.867 -14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.733 -6.303 -13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.293 -5.487 -12.347 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.591 -5.984 -12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.225 -5.124 -15.408 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.082 -4.801 -14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.704 -3.456 -15.069 1.00 0.00 H new ATOM 577 N LYS A 123 22.015 0.407 -12.662 1.00 0.00 N ATOM 578 CA LYS A 123 21.292 1.449 -11.949 1.00 0.00 C ATOM 579 C LYS A 123 19.830 1.035 -11.784 1.00 0.00 C ATOM 580 O LYS A 123 19.012 1.242 -12.681 1.00 0.00 O ATOM 581 CB LYS A 123 21.410 2.768 -12.719 1.00 0.00 C ATOM 582 CG LYS A 123 22.876 3.220 -12.747 1.00 0.00 C ATOM 583 CD LYS A 123 22.976 4.664 -13.254 1.00 0.00 C ATOM 584 CE LYS A 123 22.589 4.732 -14.735 1.00 0.00 C ATOM 585 NZ LYS A 123 22.819 6.082 -15.280 1.00 0.00 N ATOM 0 H LYS A 123 22.441 0.719 -13.535 1.00 0.00 H new ATOM 0 HA LYS A 123 21.721 1.590 -10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.039 2.641 -13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.792 3.532 -12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.306 3.147 -11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.455 2.560 -13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.320 5.309 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.992 5.035 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.171 4.004 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.540 4.462 -14.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.549 6.102 -16.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.245 6.771 -14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.825 6.327 -15.187 1.00 0.00 H new ATOM 599 N GLY A 124 19.514 0.440 -10.632 1.00 0.00 N ATOM 600 CA GLY A 124 18.178 -0.038 -10.337 1.00 0.00 C ATOM 601 C GLY A 124 18.255 -1.145 -9.292 1.00 0.00 C ATOM 602 O GLY A 124 17.421 -1.205 -8.392 1.00 0.00 O ATOM 0 H GLY A 124 20.185 0.280 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.560 0.781 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.705 -0.412 -11.245 1.00 0.00 H new ATOM 606 N ARG A 125 19.268 -2.019 -9.417 1.00 0.00 N ATOM 607 CA ARG A 125 19.475 -3.117 -8.482 1.00 0.00 C ATOM 608 C ARG A 125 20.741 -2.857 -7.673 1.00 0.00 C ATOM 609 O ARG A 125 21.777 -2.511 -8.237 1.00 0.00 O ATOM 610 CB ARG A 125 19.607 -4.441 -9.251 1.00 0.00 C ATOM 611 CG ARG A 125 18.309 -4.774 -9.999 1.00 0.00 C ATOM 612 CD ARG A 125 17.127 -4.832 -9.022 1.00 0.00 C ATOM 613 NE ARG A 125 16.212 -5.947 -9.316 1.00 0.00 N ATOM 614 CZ ARG A 125 15.456 -6.029 -10.429 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.920 -5.600 -11.610 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.226 -6.552 -10.347 1.00 0.00 N ATOM 0 H ARG A 125 19.958 -1.978 -10.167 1.00 0.00 H new ATOM 0 HA ARG A 125 18.621 -3.186 -7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.432 -4.373 -9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.848 -5.246 -8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.120 -4.021 -10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.412 -5.730 -10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.504 -4.934 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.576 -3.892 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 125 16.146 -6.704 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.858 -5.204 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.336 -5.669 -12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.871 -6.883 -9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.644 -6.620 -11.182 1.00 0.00 H new ATOM 630 N ILE A 126 20.656 -3.029 -6.350 1.00 0.00 N ATOM 631 CA ILE A 126 21.797 -2.825 -5.469 1.00 0.00 C ATOM 632 C ILE A 126 22.586 -4.132 -5.353 1.00 0.00 C ATOM 633 O ILE A 126 22.293 -5.104 -6.058 1.00 0.00 O ATOM 634 CB ILE A 126 21.309 -2.334 -4.091 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.321 -3.343 -3.482 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.625 -0.970 -4.250 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.195 -3.108 -1.976 1.00 0.00 C ATOM 0 H ILE A 126 19.802 -3.311 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 126 22.458 -2.062 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 126 22.166 -2.239 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.345 -3.241 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.664 -4.360 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.279 -0.621 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.335 -0.253 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.774 -1.066 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.493 -3.827 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.170 -3.233 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.831 -2.097 -1.795 1.00 0.00 H new ATOM 649 N GLY A 127 23.586 -4.158 -4.460 1.00 0.00 N ATOM 650 CA GLY A 127 24.401 -5.343 -4.243 1.00 0.00 C ATOM 651 C GLY A 127 23.637 -6.351 -3.388 1.00 0.00 C ATOM 652 O GLY A 127 24.056 -6.673 -2.279 1.00 0.00 O ATOM 0 H GLY A 127 23.844 -3.362 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.667 -5.792 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.334 -5.068 -3.750 1.00 0.00 H new ATOM 656 N LYS A 128 22.512 -6.843 -3.916 1.00 0.00 N ATOM 657 CA LYS A 128 21.671 -7.803 -3.221 1.00 0.00 C ATOM 658 C LYS A 128 20.914 -8.627 -4.260 1.00 0.00 C ATOM 659 O LYS A 128 21.063 -9.847 -4.316 1.00 0.00 O ATOM 660 CB LYS A 128 20.711 -7.042 -2.288 1.00 0.00 C ATOM 661 CG LYS A 128 20.174 -7.965 -1.184 1.00 0.00 C ATOM 662 CD LYS A 128 19.089 -8.896 -1.739 1.00 0.00 C ATOM 663 CE LYS A 128 18.185 -9.367 -0.595 1.00 0.00 C ATOM 664 NZ LYS A 128 17.159 -10.309 -1.079 1.00 0.00 N ATOM 0 H LYS A 128 22.165 -6.582 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 128 22.267 -8.482 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.229 -6.195 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.880 -6.638 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.990 -8.556 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.766 -7.367 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.498 -8.375 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.548 -9.754 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.789 -9.847 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.703 -8.507 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.325 -10.262 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.885 -10.055 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.543 -11.276 -1.069 1.00 0.00 H new ATOM 678 N GLN A 129 20.109 -7.953 -5.093 1.00 0.00 N ATOM 679 CA GLN A 129 19.349 -8.621 -6.137 1.00 0.00 C ATOM 680 C GLN A 129 20.311 -9.176 -7.184 1.00 0.00 C ATOM 681 O GLN A 129 20.087 -10.257 -7.715 1.00 0.00 O ATOM 682 CB GLN A 129 18.357 -7.644 -6.782 1.00 0.00 C ATOM 683 CG GLN A 129 17.370 -7.108 -5.732 1.00 0.00 C ATOM 684 CD GLN A 129 17.932 -5.897 -4.986 1.00 0.00 C ATOM 685 OE1 GLN A 129 18.944 -5.326 -5.385 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.271 -5.506 -3.897 1.00 0.00 N ATOM 0 H GLN A 129 19.973 -6.943 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 129 18.781 -9.443 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 129 18.898 -6.815 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 129 17.811 -8.146 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.435 -6.832 -6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.136 -7.897 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.434 -6.009 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.602 -4.704 -3.360 1.00 0.00 H new ATOM 695 N CYS A 130 21.388 -8.430 -7.476 1.00 0.00 N ATOM 696 CA CYS A 130 22.388 -8.860 -8.446 1.00 0.00 C ATOM 697 C CYS A 130 23.019 -10.169 -7.977 1.00 0.00 C ATOM 698 O CYS A 130 23.157 -11.111 -8.756 1.00 0.00 O ATOM 699 CB CYS A 130 23.464 -7.777 -8.599 1.00 0.00 C ATOM 700 SG CYS A 130 22.721 -6.285 -9.308 1.00 0.00 S ATOM 0 H CYS A 130 21.582 -7.524 -7.049 1.00 0.00 H new ATOM 0 HA CYS A 130 21.913 -9.019 -9.414 1.00 0.00 H new ATOM 0 HB2 CYS A 130 23.907 -7.550 -7.629 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.268 -8.136 -9.241 1.00 0.00 H new ATOM 0 HG CYS A 130 22.411 -5.459 -8.353 1.00 0.00 H new ATOM 706 N ARG A 131 23.400 -10.217 -6.695 1.00 0.00 N ATOM 707 CA ARG A 131 24.018 -11.392 -6.109 1.00 0.00 C ATOM 708 C ARG A 131 23.089 -12.600 -6.246 1.00 0.00 C ATOM 709 O ARG A 131 23.510 -13.653 -6.716 1.00 0.00 O ATOM 710 CB ARG A 131 24.338 -11.098 -4.632 1.00 0.00 C ATOM 711 CG ARG A 131 25.139 -12.253 -4.016 1.00 0.00 C ATOM 712 CD ARG A 131 24.198 -13.210 -3.273 1.00 0.00 C ATOM 713 NE ARG A 131 24.864 -14.488 -2.991 1.00 0.00 N ATOM 714 CZ ARG A 131 24.194 -15.606 -2.657 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.860 -15.582 -2.527 1.00 0.00 N ATOM 716 NH2 ARG A 131 24.864 -16.748 -2.455 1.00 0.00 N ATOM 0 H ARG A 131 23.285 -9.440 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 131 24.944 -11.629 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.906 -10.171 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.412 -10.952 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.675 -12.792 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.888 -11.860 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.871 -12.752 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.305 -13.386 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 131 25.881 -14.530 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.348 -14.713 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.357 -16.432 -2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.879 -16.768 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.359 -17.597 -2.202 1.00 0.00 H new ATOM 730 N GLU A 132 21.828 -12.447 -5.827 1.00 0.00 N ATOM 731 CA GLU A 132 20.859 -13.535 -5.875 1.00 0.00 C ATOM 732 C GLU A 132 20.615 -13.977 -7.309 1.00 0.00 C ATOM 733 O GLU A 132 20.700 -15.166 -7.597 1.00 0.00 O ATOM 734 CB GLU A 132 19.557 -13.078 -5.217 1.00 0.00 C ATOM 735 CG GLU A 132 19.756 -13.002 -3.701 1.00 0.00 C ATOM 736 CD GLU A 132 18.587 -12.299 -3.020 1.00 0.00 C ATOM 737 OE1 GLU A 132 18.023 -11.375 -3.646 1.00 0.00 O ATOM 738 OE2 GLU A 132 18.277 -12.692 -1.874 1.00 0.00 O ATOM 0 H GLU A 132 21.458 -11.574 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 132 21.254 -14.392 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.262 -12.103 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.752 -13.773 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.863 -14.008 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.681 -12.469 -3.480 1.00 0.00 H new ATOM 745 N ARG A 133 20.311 -13.033 -8.207 1.00 0.00 N ATOM 746 CA ARG A 133 20.054 -13.356 -9.606 1.00 0.00 C ATOM 747 C ARG A 133 21.129 -14.315 -10.120 1.00 0.00 C ATOM 748 O ARG A 133 20.834 -15.224 -10.898 1.00 0.00 O ATOM 749 CB ARG A 133 20.032 -12.062 -10.437 1.00 0.00 C ATOM 750 CG ARG A 133 19.478 -12.334 -11.842 1.00 0.00 C ATOM 751 CD ARG A 133 17.951 -12.432 -11.801 1.00 0.00 C ATOM 752 NE ARG A 133 17.411 -12.649 -13.149 1.00 0.00 N ATOM 753 CZ ARG A 133 16.138 -13.007 -13.388 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.309 -13.248 -12.371 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.700 -13.120 -14.645 1.00 0.00 N ATOM 0 H ARG A 133 20.238 -12.040 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 133 19.084 -13.845 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.419 -11.312 -9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.040 -11.653 -10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.780 -11.536 -12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.898 -13.261 -12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.651 -13.251 -11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.534 -11.518 -11.379 1.00 0.00 H new ATOM 0 HE ARG A 133 18.035 -12.521 -13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.641 -13.161 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.343 -13.520 -12.554 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.332 -12.935 -15.424 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.734 -13.392 -14.826 1.00 0.00 H new ATOM 769 N TRP A 134 22.374 -14.111 -9.674 1.00 0.00 N ATOM 770 CA TRP A 134 23.481 -14.942 -10.087 1.00 0.00 C ATOM 771 C TRP A 134 23.484 -16.276 -9.331 1.00 0.00 C ATOM 772 O TRP A 134 23.450 -17.338 -9.949 1.00 0.00 O ATOM 773 CB TRP A 134 24.794 -14.185 -9.859 1.00 0.00 C ATOM 774 CG TRP A 134 25.907 -14.673 -10.716 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.057 -15.225 -10.295 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.979 -14.682 -12.163 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.842 -15.590 -11.361 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.215 -15.279 -12.556 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.118 -14.248 -13.193 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.564 -15.448 -13.898 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.464 -14.411 -14.536 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.676 -15.021 -14.894 1.00 0.00 C ATOM 0 H TRP A 134 22.628 -13.368 -9.022 1.00 0.00 H new ATOM 0 HA TRP A 134 23.375 -15.170 -11.148 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.633 -13.124 -10.053 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.082 -14.278 -8.812 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.328 -15.363 -9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.759 -16.029 -11.283 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.177 -13.783 -12.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.507 -15.902 -14.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.792 -14.064 -15.307 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.924 -15.161 -15.936 1.00 0.00 H new ATOM 793 N HIS A 135 23.540 -16.224 -7.996 1.00 0.00 N ATOM 794 CA HIS A 135 23.633 -17.429 -7.176 1.00 0.00 C ATOM 795 C HIS A 135 22.262 -18.089 -6.969 1.00 0.00 C ATOM 796 O HIS A 135 21.921 -18.472 -5.851 1.00 0.00 O ATOM 797 CB HIS A 135 24.281 -17.067 -5.839 1.00 0.00 C ATOM 798 CG HIS A 135 25.723 -16.664 -6.002 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.758 -17.590 -6.071 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.335 -15.444 -6.123 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.899 -16.887 -6.220 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.709 -15.568 -6.258 1.00 0.00 N ATOM 0 H HIS A 135 23.522 -15.355 -7.462 1.00 0.00 H new ATOM 0 HA HIS A 135 24.251 -18.162 -7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.726 -16.251 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.217 -17.919 -5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.810 -14.500 -6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.872 -17.348 -6.301 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.405 -14.830 -6.361 1.00 0.00 H new ATOM 810 N ASN A 136 21.493 -18.242 -8.054 1.00 0.00 N ATOM 811 CA ASN A 136 20.208 -18.935 -8.014 1.00 0.00 C ATOM 812 C ASN A 136 19.907 -19.526 -9.382 1.00 0.00 C ATOM 813 O ASN A 136 20.001 -20.735 -9.577 1.00 0.00 O ATOM 814 CB ASN A 136 19.081 -17.976 -7.613 1.00 0.00 C ATOM 815 CG ASN A 136 19.005 -17.810 -6.106 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.544 -18.705 -5.402 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.451 -16.666 -5.610 1.00 0.00 N ATOM 0 H ASN A 136 21.746 -17.890 -8.977 1.00 0.00 H new ATOM 0 HA ASN A 136 20.267 -19.730 -7.270 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.244 -17.005 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.129 -18.354 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.420 -16.500 -4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.826 -15.951 -6.234 1.00 0.00 H new ATOM 824 N HIS A 137 19.525 -18.661 -10.322 1.00 0.00 N ATOM 825 CA HIS A 137 19.134 -19.090 -11.662 1.00 0.00 C ATOM 826 C HIS A 137 20.347 -19.525 -12.492 1.00 0.00 C ATOM 827 O HIS A 137 20.504 -20.712 -12.772 1.00 0.00 O ATOM 828 CB HIS A 137 18.384 -17.956 -12.367 1.00 0.00 C ATOM 829 CG HIS A 137 17.364 -17.296 -11.488 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.213 -17.936 -11.043 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.303 -16.044 -10.952 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.544 -17.044 -10.284 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.159 -15.863 -10.189 1.00 0.00 N ATOM 0 H HIS A 137 19.478 -17.652 -10.177 1.00 0.00 H new ATOM 0 HA HIS A 137 18.478 -19.955 -11.565 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.101 -17.209 -12.707 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.890 -18.351 -13.255 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.055 -15.284 -11.103 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.603 -17.264 -9.801 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.861 -15.031 -9.680 1.00 0.00 H new ATOM 841 N LEU A 138 21.190 -18.561 -12.900 1.00 0.00 N ATOM 842 CA LEU A 138 22.340 -18.842 -13.754 1.00 0.00 C ATOM 843 C LEU A 138 23.621 -18.301 -13.121 1.00 0.00 C ATOM 844 O LEU A 138 23.671 -17.148 -12.703 1.00 0.00 O ATOM 845 CB LEU A 138 22.106 -18.226 -15.148 1.00 0.00 C ATOM 846 CG LEU A 138 21.785 -16.720 -15.044 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.746 -15.929 -15.926 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.358 -16.458 -15.516 1.00 0.00 C ATOM 0 H LEU A 138 21.089 -17.578 -12.647 1.00 0.00 H new ATOM 0 HA LEU A 138 22.455 -19.920 -13.863 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.992 -18.370 -15.766 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.284 -18.743 -15.644 1.00 0.00 H new ATOM 0 HG LEU A 138 21.891 -16.409 -14.005 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.517 -14.866 -15.851 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.770 -16.104 -15.596 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.638 -16.251 -16.962 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.139 -15.393 -15.439 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.254 -16.776 -16.553 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.660 -17.017 -14.893 1.00 0.00 H new