USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 LYS NZ :NH3+ -109:sc= 1.45 (180deg=0.227) USER MOD Set 1.2: A 110 TYR OH : rot -165:sc= 1.27 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.861 K(o=3.6,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.337 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.309 X(o=0.31,f=-0.16) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -160:sc= -0.0147 (180deg=-0.256) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -160:sc= -0.182 (180deg=-0.776) USER MOD Single : A 123 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.187) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN :FLIP amide:sc= -0.473 F(o=-1.1,f=-0.47) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.0147 USER MOD Single : A 135 HIS : no HE2:sc= 0.0379 K(o=0.038,f=-0.88) USER MOD Single : A 136 ASN : amide:sc= 0.921 K(o=0.92,f=-0.039) USER MOD Single : A 137 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=-9.5e-05) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.245 -9.399 -13.800 1.00 0.00 N ATOM 85 CA TRP A 95 14.494 -9.283 -14.527 1.00 0.00 C ATOM 86 C TRP A 95 14.252 -9.485 -16.014 1.00 0.00 C ATOM 87 O TRP A 95 13.453 -10.334 -16.410 1.00 0.00 O ATOM 88 CB TRP A 95 15.492 -10.305 -13.994 1.00 0.00 C ATOM 89 CG TRP A 95 16.259 -9.839 -12.803 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.797 -9.784 -11.543 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.629 -9.341 -12.735 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.758 -9.307 -10.687 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.922 -9.010 -11.375 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.660 -9.134 -13.681 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.162 -8.506 -10.979 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.912 -8.622 -13.284 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.161 -8.307 -11.937 1.00 0.00 C ATOM 0 HA TRP A 95 14.908 -8.285 -14.383 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.957 -11.219 -13.734 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.194 -10.561 -14.788 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.801 -10.076 -11.243 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.632 -9.188 -9.682 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.486 -9.371 -14.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.348 -8.272 -9.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.687 -8.470 -14.021 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.122 -7.912 -11.642 1.00 0.00 H new ATOM 108 N THR A 96 14.947 -8.691 -16.831 1.00 0.00 N ATOM 109 CA THR A 96 14.810 -8.745 -18.274 1.00 0.00 C ATOM 110 C THR A 96 16.014 -9.473 -18.870 1.00 0.00 C ATOM 111 O THR A 96 17.077 -9.528 -18.253 1.00 0.00 O ATOM 112 CB THR A 96 14.689 -7.313 -18.824 1.00 0.00 C ATOM 113 OG1 THR A 96 15.973 -6.747 -18.979 1.00 0.00 O ATOM 114 CG2 THR A 96 13.862 -6.446 -17.858 1.00 0.00 C ATOM 0 H THR A 96 15.618 -7.996 -16.504 1.00 0.00 H new ATOM 0 HA THR A 96 13.911 -9.295 -18.551 1.00 0.00 H new ATOM 0 HB THR A 96 14.190 -7.350 -19.792 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.889 -5.836 -19.331 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.782 -5.434 -18.255 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.865 -6.873 -17.748 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.353 -6.416 -16.885 1.00 0.00 H new ATOM 122 N LYS A 97 15.843 -10.033 -20.074 1.00 0.00 N ATOM 123 CA LYS A 97 16.910 -10.757 -20.753 1.00 0.00 C ATOM 124 C LYS A 97 18.143 -9.864 -20.897 1.00 0.00 C ATOM 125 O LYS A 97 19.266 -10.321 -20.704 1.00 0.00 O ATOM 126 CB LYS A 97 16.408 -11.208 -22.131 1.00 0.00 C ATOM 127 CG LYS A 97 17.519 -11.954 -22.881 1.00 0.00 C ATOM 128 CD LYS A 97 17.029 -12.327 -24.282 1.00 0.00 C ATOM 129 CE LYS A 97 18.178 -12.955 -25.076 1.00 0.00 C ATOM 130 NZ LYS A 97 17.773 -13.227 -26.467 1.00 0.00 N ATOM 0 H LYS A 97 14.967 -9.995 -20.596 1.00 0.00 H new ATOM 0 HA LYS A 97 17.191 -11.632 -20.168 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.539 -11.856 -22.016 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.086 -10.343 -22.710 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.409 -11.328 -22.950 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.803 -12.852 -22.332 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.196 -13.027 -24.213 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.659 -11.441 -24.797 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.038 -12.286 -25.068 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.491 -13.883 -24.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.569 -13.652 -26.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.967 -13.884 -26.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.497 -12.337 -26.929 1.00 0.00 H new ATOM 144 N GLU A 98 17.924 -8.595 -21.244 1.00 0.00 N ATOM 145 CA GLU A 98 19.006 -7.646 -21.449 1.00 0.00 C ATOM 146 C GLU A 98 19.713 -7.367 -20.123 1.00 0.00 C ATOM 147 O GLU A 98 20.940 -7.337 -20.069 1.00 0.00 O ATOM 148 CB GLU A 98 18.437 -6.352 -22.052 1.00 0.00 C ATOM 149 CG GLU A 98 19.065 -6.102 -23.425 1.00 0.00 C ATOM 150 CD GLU A 98 18.691 -7.213 -24.404 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.472 -7.405 -24.606 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.630 -7.849 -24.929 1.00 0.00 O ATOM 0 H GLU A 98 16.994 -8.203 -21.389 1.00 0.00 H new ATOM 0 HA GLU A 98 19.738 -8.063 -22.141 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.354 -6.429 -22.146 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.641 -5.511 -21.390 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.729 -5.141 -23.814 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.149 -6.046 -23.329 1.00 0.00 H new ATOM 159 N GLU A 99 18.934 -7.165 -19.054 1.00 0.00 N ATOM 160 CA GLU A 99 19.485 -6.903 -17.734 1.00 0.00 C ATOM 161 C GLU A 99 20.374 -8.074 -17.313 1.00 0.00 C ATOM 162 O GLU A 99 21.504 -7.873 -16.864 1.00 0.00 O ATOM 163 CB GLU A 99 18.331 -6.698 -16.747 1.00 0.00 C ATOM 164 CG GLU A 99 18.830 -5.970 -15.503 1.00 0.00 C ATOM 165 CD GLU A 99 17.690 -5.721 -14.524 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.800 -6.595 -14.442 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.727 -4.658 -13.872 1.00 0.00 O ATOM 0 H GLU A 99 17.915 -7.180 -19.086 1.00 0.00 H new ATOM 0 HA GLU A 99 20.097 -6.001 -17.747 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.535 -6.123 -17.220 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.905 -7.662 -16.468 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.608 -6.561 -15.019 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.282 -5.021 -15.789 1.00 0.00 H new ATOM 174 N ASP A 100 19.861 -9.298 -17.472 1.00 0.00 N ATOM 175 CA ASP A 100 20.603 -10.502 -17.139 1.00 0.00 C ATOM 176 C ASP A 100 21.870 -10.583 -17.987 1.00 0.00 C ATOM 177 O ASP A 100 22.955 -10.807 -17.459 1.00 0.00 O ATOM 178 CB ASP A 100 19.714 -11.727 -17.381 1.00 0.00 C ATOM 179 CG ASP A 100 19.024 -12.158 -16.102 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.740 -12.626 -15.191 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.789 -12.015 -16.055 1.00 0.00 O ATOM 0 H ASP A 100 18.924 -9.474 -17.834 1.00 0.00 H new ATOM 0 HA ASP A 100 20.894 -10.476 -16.089 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.968 -11.495 -18.141 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.318 -12.548 -17.767 1.00 0.00 H new ATOM 186 N GLN A 101 21.727 -10.397 -19.306 1.00 0.00 N ATOM 187 CA GLN A 101 22.854 -10.448 -20.227 1.00 0.00 C ATOM 188 C GLN A 101 23.936 -9.463 -19.783 1.00 0.00 C ATOM 189 O GLN A 101 25.126 -9.773 -19.854 1.00 0.00 O ATOM 190 CB GLN A 101 22.361 -10.124 -21.646 1.00 0.00 C ATOM 191 CG GLN A 101 23.523 -10.180 -22.649 1.00 0.00 C ATOM 192 CD GLN A 101 24.150 -11.571 -22.698 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.693 -12.433 -23.443 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.200 -11.786 -21.903 1.00 0.00 N ATOM 0 H GLN A 101 20.831 -10.209 -19.755 1.00 0.00 H new ATOM 0 HA GLN A 101 23.289 -11.448 -20.226 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.587 -10.833 -21.938 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.908 -9.133 -21.662 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.163 -9.906 -23.641 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.281 -9.447 -22.372 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.545 -11.039 -21.300 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.658 -12.698 -21.898 1.00 0.00 H new ATOM 203 N ARG A 102 23.520 -8.279 -19.324 1.00 0.00 N ATOM 204 CA ARG A 102 24.448 -7.263 -18.869 1.00 0.00 C ATOM 205 C ARG A 102 25.246 -7.789 -17.672 1.00 0.00 C ATOM 206 O ARG A 102 26.466 -7.697 -17.661 1.00 0.00 O ATOM 207 CB ARG A 102 23.672 -5.993 -18.508 1.00 0.00 C ATOM 208 CG ARG A 102 24.613 -4.788 -18.518 1.00 0.00 C ATOM 209 CD ARG A 102 23.811 -3.516 -18.243 1.00 0.00 C ATOM 210 NE ARG A 102 24.694 -2.345 -18.163 1.00 0.00 N ATOM 211 CZ ARG A 102 24.364 -1.218 -17.507 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.159 -1.095 -16.938 1.00 0.00 N ATOM 213 NH2 ARG A 102 25.244 -0.214 -17.421 1.00 0.00 N ATOM 0 H ARG A 102 22.539 -8.008 -19.261 1.00 0.00 H new ATOM 0 HA ARG A 102 25.155 -7.020 -19.663 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.861 -5.838 -19.219 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.217 -6.102 -17.524 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.389 -4.912 -17.763 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.116 -4.713 -19.482 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.075 -3.368 -19.033 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.259 -3.624 -17.309 1.00 0.00 H new ATOM 0 HE ARG A 102 25.601 -2.388 -18.627 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.485 -1.858 -17.000 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.914 -0.238 -16.442 1.00 0.00 H new ATOM 0 HH21 ARG A 102 26.164 -0.304 -17.853 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.995 0.641 -16.924 1.00 0.00 H new ATOM 227 N VAL A 103 24.556 -8.346 -16.666 1.00 0.00 N ATOM 228 CA VAL A 103 25.224 -8.884 -15.484 1.00 0.00 C ATOM 229 C VAL A 103 26.181 -10.007 -15.893 1.00 0.00 C ATOM 230 O VAL A 103 27.318 -10.042 -15.431 1.00 0.00 O ATOM 231 CB VAL A 103 24.179 -9.381 -14.475 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.861 -10.191 -13.366 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.469 -8.178 -13.852 1.00 0.00 C ATOM 0 H VAL A 103 23.540 -8.433 -16.652 1.00 0.00 H new ATOM 0 HA VAL A 103 25.809 -8.098 -15.006 1.00 0.00 H new ATOM 0 HB VAL A 103 23.458 -10.015 -14.991 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.111 -10.539 -12.656 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.372 -11.049 -13.804 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.586 -9.562 -12.849 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.726 -8.526 -13.135 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.199 -7.549 -13.342 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.976 -7.601 -14.634 1.00 0.00 H new ATOM 243 N ILE A 104 25.721 -10.920 -16.760 1.00 0.00 N ATOM 244 CA ILE A 104 26.549 -12.022 -17.240 1.00 0.00 C ATOM 245 C ILE A 104 27.855 -11.462 -17.815 1.00 0.00 C ATOM 246 O ILE A 104 28.942 -11.916 -17.456 1.00 0.00 O ATOM 247 CB ILE A 104 25.775 -12.813 -18.315 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.673 -13.658 -17.662 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.736 -13.731 -19.085 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.741 -14.231 -18.735 1.00 0.00 C ATOM 0 H ILE A 104 24.775 -10.912 -17.141 1.00 0.00 H new ATOM 0 HA ILE A 104 26.789 -12.695 -16.417 1.00 0.00 H new ATOM 0 HB ILE A 104 25.319 -12.105 -19.007 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.119 -14.469 -17.086 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.102 -13.047 -16.962 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.181 -14.286 -19.842 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.506 -13.129 -19.568 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.204 -14.431 -18.393 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.963 -14.829 -18.260 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.282 -13.414 -19.292 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.314 -14.858 -19.418 1.00 0.00 H new ATOM 262 N GLU A 105 27.735 -10.474 -18.710 1.00 0.00 N ATOM 263 CA GLU A 105 28.884 -9.856 -19.354 1.00 0.00 C ATOM 264 C GLU A 105 29.809 -9.227 -18.310 1.00 0.00 C ATOM 265 O GLU A 105 31.005 -9.507 -18.296 1.00 0.00 O ATOM 266 CB GLU A 105 28.378 -8.807 -20.357 1.00 0.00 C ATOM 267 CG GLU A 105 29.559 -8.081 -21.021 1.00 0.00 C ATOM 268 CD GLU A 105 29.954 -6.829 -20.240 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.059 -5.981 -20.033 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.142 -6.743 -19.868 1.00 0.00 O ATOM 0 H GLU A 105 26.838 -10.086 -19.003 1.00 0.00 H new ATOM 0 HA GLU A 105 29.464 -10.610 -19.886 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.766 -9.290 -21.119 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.741 -8.085 -19.846 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.413 -8.756 -21.086 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.292 -7.806 -22.041 1.00 0.00 H new ATOM 277 N LEU A 106 29.256 -8.374 -17.441 1.00 0.00 N ATOM 278 CA LEU A 106 30.040 -7.682 -16.424 1.00 0.00 C ATOM 279 C LEU A 106 30.778 -8.682 -15.528 1.00 0.00 C ATOM 280 O LEU A 106 31.928 -8.445 -15.167 1.00 0.00 O ATOM 281 CB LEU A 106 29.118 -6.786 -15.590 1.00 0.00 C ATOM 282 CG LEU A 106 28.564 -5.635 -16.448 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.462 -4.914 -15.669 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.681 -4.644 -16.794 1.00 0.00 C ATOM 0 H LEU A 106 28.261 -8.148 -17.426 1.00 0.00 H new ATOM 0 HA LEU A 106 30.790 -7.063 -16.917 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.295 -7.376 -15.187 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.666 -6.382 -14.739 1.00 0.00 H new ATOM 0 HG LEU A 106 28.158 -6.042 -17.374 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.065 -4.097 -16.272 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.661 -5.616 -15.437 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.873 -4.514 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.275 -3.835 -17.401 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.100 -4.233 -15.876 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.464 -5.158 -17.352 1.00 0.00 H new ATOM 296 N VAL A 107 30.126 -9.795 -15.170 1.00 0.00 N ATOM 297 CA VAL A 107 30.748 -10.809 -14.325 1.00 0.00 C ATOM 298 C VAL A 107 31.877 -11.490 -15.097 1.00 0.00 C ATOM 299 O VAL A 107 32.939 -11.738 -14.542 1.00 0.00 O ATOM 300 CB VAL A 107 29.691 -11.826 -13.859 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.365 -13.133 -13.428 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.928 -11.249 -12.666 1.00 0.00 C ATOM 0 H VAL A 107 29.171 -10.011 -15.454 1.00 0.00 H new ATOM 0 HA VAL A 107 31.173 -10.341 -13.437 1.00 0.00 H new ATOM 0 HB VAL A 107 29.008 -12.028 -14.684 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.606 -13.843 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.916 -13.553 -14.269 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.053 -12.934 -12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.178 -11.966 -12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.624 -11.047 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.437 -10.322 -12.962 1.00 0.00 H new ATOM 312 N GLN A 108 31.652 -11.785 -16.378 1.00 0.00 N ATOM 313 CA GLN A 108 32.670 -12.410 -17.207 1.00 0.00 C ATOM 314 C GLN A 108 33.858 -11.454 -17.376 1.00 0.00 C ATOM 315 O GLN A 108 35.000 -11.895 -17.483 1.00 0.00 O ATOM 316 CB GLN A 108 32.058 -12.773 -18.565 1.00 0.00 C ATOM 317 CG GLN A 108 33.057 -13.594 -19.387 1.00 0.00 C ATOM 318 CD GLN A 108 32.420 -14.089 -20.680 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.205 -15.286 -20.851 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.116 -13.165 -21.592 1.00 0.00 N ATOM 0 H GLN A 108 30.772 -11.599 -16.859 1.00 0.00 H new ATOM 0 HA GLN A 108 33.033 -13.321 -16.732 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.140 -13.342 -18.419 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.788 -11.866 -19.106 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.931 -12.985 -19.617 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.406 -14.444 -18.800 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.313 -12.181 -21.407 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.687 -13.442 -22.475 1.00 0.00 H new ATOM 329 N LYS A 109 33.577 -10.145 -17.403 1.00 0.00 N ATOM 330 CA LYS A 109 34.601 -9.129 -17.581 1.00 0.00 C ATOM 331 C LYS A 109 35.425 -8.958 -16.300 1.00 0.00 C ATOM 332 O LYS A 109 36.638 -9.154 -16.317 1.00 0.00 O ATOM 333 CB LYS A 109 33.922 -7.813 -17.982 1.00 0.00 C ATOM 334 CG LYS A 109 34.964 -6.823 -18.519 1.00 0.00 C ATOM 335 CD LYS A 109 34.298 -5.834 -19.488 1.00 0.00 C ATOM 336 CE LYS A 109 33.305 -4.932 -18.742 1.00 0.00 C ATOM 337 NZ LYS A 109 34.005 -3.939 -17.910 1.00 0.00 N ATOM 0 H LYS A 109 32.634 -9.770 -17.302 1.00 0.00 H new ATOM 0 HA LYS A 109 35.290 -9.435 -18.369 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.164 -8.003 -18.742 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.410 -7.382 -17.122 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.423 -6.281 -17.692 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.762 -7.363 -19.029 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.059 -5.223 -19.973 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.780 -6.381 -20.275 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.664 -4.421 -19.460 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.656 -5.543 -18.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 33.885 -4.181 -16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 35.017 -3.939 -18.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.608 -2.995 -18.088 1.00 0.00 H new ATOM 351 N TYR A 110 34.768 -8.585 -15.192 1.00 0.00 N ATOM 352 CA TYR A 110 35.451 -8.369 -13.922 1.00 0.00 C ATOM 353 C TYR A 110 35.692 -9.703 -13.220 1.00 0.00 C ATOM 354 O TYR A 110 36.839 -10.100 -13.008 1.00 0.00 O ATOM 355 CB TYR A 110 34.606 -7.453 -13.024 1.00 0.00 C ATOM 356 CG TYR A 110 34.235 -6.125 -13.651 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.214 -5.334 -14.283 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.906 -5.670 -13.582 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.859 -4.096 -14.846 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.556 -4.434 -14.142 1.00 0.00 C ATOM 361 CZ TYR A 110 33.530 -3.647 -14.774 1.00 0.00 C ATOM 362 OH TYR A 110 33.186 -2.447 -15.324 1.00 0.00 O ATOM 0 H TYR A 110 33.761 -8.428 -15.157 1.00 0.00 H new ATOM 0 HA TYR A 110 36.412 -7.893 -14.116 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.691 -7.978 -12.749 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.155 -7.264 -12.101 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.236 -5.678 -14.335 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.154 -6.274 -13.097 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.608 -3.490 -15.334 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.535 -4.087 -14.087 1.00 0.00 H new ATOM 0 HH TYR A 110 32.306 -2.174 -14.989 1.00 0.00 H new ATOM 372 N GLY A 111 34.603 -10.379 -12.848 1.00 0.00 N ATOM 373 CA GLY A 111 34.663 -11.646 -12.141 1.00 0.00 C ATOM 374 C GLY A 111 33.443 -11.772 -11.225 1.00 0.00 C ATOM 375 O GLY A 111 32.661 -10.827 -11.105 1.00 0.00 O ATOM 0 H GLY A 111 33.653 -10.056 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.685 -12.472 -12.852 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.580 -11.706 -11.555 1.00 0.00 H new ATOM 379 N PRO A 112 33.281 -12.937 -10.573 1.00 0.00 N ATOM 380 CA PRO A 112 32.185 -13.180 -9.656 1.00 0.00 C ATOM 381 C PRO A 112 32.272 -12.239 -8.453 1.00 0.00 C ATOM 382 O PRO A 112 33.274 -11.543 -8.275 1.00 0.00 O ATOM 383 CB PRO A 112 32.324 -14.644 -9.223 1.00 0.00 C ATOM 384 CG PRO A 112 33.656 -15.149 -9.789 1.00 0.00 C ATOM 385 CD PRO A 112 34.180 -14.056 -10.720 1.00 0.00 C ATOM 0 HA PRO A 112 31.218 -12.996 -10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.309 -14.729 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.493 -15.239 -9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.367 -15.348 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.517 -16.085 -10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.199 -13.774 -10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.204 -14.403 -11.753 1.00 0.00 H new ATOM 393 N LYS A 113 31.215 -12.227 -7.628 1.00 0.00 N ATOM 394 CA LYS A 113 31.154 -11.383 -6.438 1.00 0.00 C ATOM 395 C LYS A 113 31.265 -9.911 -6.856 1.00 0.00 C ATOM 396 O LYS A 113 30.815 -9.541 -7.939 1.00 0.00 O ATOM 397 CB LYS A 113 32.270 -11.779 -5.444 1.00 0.00 C ATOM 398 CG LYS A 113 32.217 -13.286 -5.130 1.00 0.00 C ATOM 399 CD LYS A 113 31.124 -13.579 -4.088 1.00 0.00 C ATOM 400 CE LYS A 113 31.643 -13.296 -2.671 1.00 0.00 C ATOM 401 NZ LYS A 113 32.632 -14.306 -2.248 1.00 0.00 N ATOM 0 H LYS A 113 30.384 -12.802 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 113 30.200 -11.526 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.243 -11.525 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.161 -11.207 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.018 -13.847 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.184 -13.620 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.247 -12.965 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.809 -14.620 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 113 32.096 -12.305 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 113 30.808 -13.287 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.710 -14.302 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 32.326 -15.247 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.558 -14.082 -2.666 1.00 0.00 H new ATOM 415 N ARG A 114 31.865 -9.077 -5.993 1.00 0.00 N ATOM 416 CA ARG A 114 32.055 -7.657 -6.272 1.00 0.00 C ATOM 417 C ARG A 114 30.717 -7.013 -6.635 1.00 0.00 C ATOM 418 O ARG A 114 30.601 -6.341 -7.662 1.00 0.00 O ATOM 419 CB ARG A 114 33.074 -7.484 -7.412 1.00 0.00 C ATOM 420 CG ARG A 114 34.347 -8.288 -7.114 1.00 0.00 C ATOM 421 CD ARG A 114 35.306 -8.189 -8.301 1.00 0.00 C ATOM 422 NE ARG A 114 36.277 -9.291 -8.279 1.00 0.00 N ATOM 423 CZ ARG A 114 36.959 -9.688 -9.366 1.00 0.00 C ATOM 424 NH1 ARG A 114 36.917 -8.961 -10.488 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.681 -10.815 -9.329 1.00 0.00 N ATOM 0 H ARG A 114 32.229 -9.373 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 114 32.443 -7.161 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.637 -7.817 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.321 -6.429 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.827 -7.907 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.094 -9.331 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.742 -8.214 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.831 -7.234 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 114 36.441 -9.777 -7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.366 -8.103 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.436 -9.265 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 114 37.713 -11.372 -8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.199 -11.116 -10.155 1.00 0.00 H new ATOM 439 N TRP A 115 29.707 -7.225 -5.785 1.00 0.00 N ATOM 440 CA TRP A 115 28.373 -6.696 -6.013 1.00 0.00 C ATOM 441 C TRP A 115 28.316 -5.224 -5.611 1.00 0.00 C ATOM 442 O TRP A 115 27.582 -4.841 -4.702 1.00 0.00 O ATOM 443 CB TRP A 115 27.371 -7.545 -5.231 1.00 0.00 C ATOM 444 CG TRP A 115 27.472 -9.008 -5.533 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.749 -9.976 -4.645 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.329 -9.690 -6.815 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.787 -11.208 -5.255 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.541 -11.089 -6.611 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.047 -9.274 -8.137 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.484 -12.014 -7.657 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.982 -10.208 -9.192 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.208 -11.568 -8.953 1.00 0.00 C ATOM 0 H TRP A 115 29.798 -7.767 -4.925 1.00 0.00 H new ATOM 0 HA TRP A 115 28.117 -6.747 -7.071 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.529 -7.390 -4.164 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.361 -7.203 -5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 115 27.919 -9.809 -3.592 1.00 0.00 H new ATOM 0 HE1 TRP A 115 27.971 -12.088 -4.774 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.879 -8.227 -8.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.652 -13.064 -7.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.756 -9.871 -10.193 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.169 -12.273 -9.770 1.00 0.00 H new ATOM 463 N SER A 116 29.103 -4.408 -6.315 1.00 0.00 N ATOM 464 CA SER A 116 29.167 -2.975 -6.097 1.00 0.00 C ATOM 465 C SER A 116 29.463 -2.308 -7.435 1.00 0.00 C ATOM 466 O SER A 116 28.733 -1.421 -7.867 1.00 0.00 O ATOM 467 CB SER A 116 30.253 -2.657 -5.065 1.00 0.00 C ATOM 468 OG SER A 116 30.327 -1.261 -4.869 1.00 0.00 O ATOM 0 H SER A 116 29.718 -4.735 -7.060 1.00 0.00 H new ATOM 0 HA SER A 116 28.221 -2.598 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.029 -3.155 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.216 -3.038 -5.406 1.00 0.00 H new ATOM 0 HG SER A 116 31.021 -1.060 -4.207 1.00 0.00 H new ATOM 474 N VAL A 117 30.535 -2.759 -8.101 1.00 0.00 N ATOM 475 CA VAL A 117 30.899 -2.252 -9.413 1.00 0.00 C ATOM 476 C VAL A 117 29.781 -2.596 -10.396 1.00 0.00 C ATOM 477 O VAL A 117 29.375 -1.761 -11.200 1.00 0.00 O ATOM 478 CB VAL A 117 32.234 -2.878 -9.849 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.599 -2.397 -11.256 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.340 -2.468 -8.872 1.00 0.00 C ATOM 0 H VAL A 117 31.163 -3.478 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 117 31.025 -1.170 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 117 32.133 -3.963 -9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.546 -2.844 -11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.817 -2.693 -11.956 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.694 -1.311 -11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.285 -2.913 -9.184 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.435 -1.382 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.088 -2.816 -7.870 1.00 0.00 H new ATOM 490 N ILE A 118 29.280 -3.832 -10.315 1.00 0.00 N ATOM 491 CA ILE A 118 28.199 -4.289 -11.169 1.00 0.00 C ATOM 492 C ILE A 118 26.939 -3.469 -10.874 1.00 0.00 C ATOM 493 O ILE A 118 26.246 -3.047 -11.795 1.00 0.00 O ATOM 494 CB ILE A 118 27.962 -5.790 -10.927 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.215 -6.583 -11.349 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.754 -6.265 -11.747 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.210 -7.965 -10.696 1.00 0.00 C ATOM 0 H ILE A 118 29.616 -4.535 -9.657 1.00 0.00 H new ATOM 0 HA ILE A 118 28.458 -4.149 -12.218 1.00 0.00 H new ATOM 0 HB ILE A 118 27.765 -5.956 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.241 -6.685 -12.434 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.114 -6.039 -11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.591 -7.328 -11.572 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.867 -5.707 -11.445 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.945 -6.097 -12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.100 -8.515 -11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.206 -7.855 -9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.320 -8.512 -11.008 1.00 0.00 H new ATOM 509 N ALA A 119 26.651 -3.240 -9.584 1.00 0.00 N ATOM 510 CA ALA A 119 25.481 -2.473 -9.172 1.00 0.00 C ATOM 511 C ALA A 119 25.561 -1.043 -9.717 1.00 0.00 C ATOM 512 O ALA A 119 24.552 -0.487 -10.145 1.00 0.00 O ATOM 513 CB ALA A 119 25.392 -2.466 -7.645 1.00 0.00 C ATOM 0 H ALA A 119 27.220 -3.580 -8.809 1.00 0.00 H new ATOM 0 HA ALA A 119 24.583 -2.938 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.518 -1.893 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.303 -3.490 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.291 -2.010 -7.230 1.00 0.00 H new ATOM 519 N LYS A 120 26.765 -0.449 -9.703 1.00 0.00 N ATOM 520 CA LYS A 120 26.968 0.908 -10.206 1.00 0.00 C ATOM 521 C LYS A 120 26.565 0.995 -11.681 1.00 0.00 C ATOM 522 O LYS A 120 26.185 2.064 -12.153 1.00 0.00 O ATOM 523 CB LYS A 120 28.435 1.312 -10.025 1.00 0.00 C ATOM 524 CG LYS A 120 28.680 1.743 -8.573 1.00 0.00 C ATOM 525 CD LYS A 120 30.189 1.820 -8.288 1.00 0.00 C ATOM 526 CE LYS A 120 30.702 3.255 -8.475 1.00 0.00 C ATOM 527 NZ LYS A 120 30.563 3.703 -9.872 1.00 0.00 N ATOM 0 H LYS A 120 27.611 -0.893 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 120 26.340 1.596 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.086 0.476 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.683 2.128 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.219 2.714 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.210 1.034 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.390 1.486 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.726 1.146 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.149 3.928 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.749 3.309 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.202 4.505 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.808 2.922 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.581 3.999 -10.046 1.00 0.00 H new ATOM 541 N HIS A 121 26.646 -0.127 -12.407 1.00 0.00 N ATOM 542 CA HIS A 121 26.273 -0.167 -13.810 1.00 0.00 C ATOM 543 C HIS A 121 24.778 -0.449 -13.912 1.00 0.00 C ATOM 544 O HIS A 121 24.063 0.224 -14.659 1.00 0.00 O ATOM 545 CB HIS A 121 27.094 -1.246 -14.523 1.00 0.00 C ATOM 546 CG HIS A 121 28.579 -1.076 -14.317 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.182 0.168 -14.158 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.609 -1.977 -14.234 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.502 -0.058 -13.995 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.829 -1.349 -14.034 1.00 0.00 N ATOM 0 H HIS A 121 26.970 -1.020 -12.035 1.00 0.00 H new ATOM 0 HA HIS A 121 26.481 0.789 -14.291 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.791 -2.228 -14.159 1.00 0.00 H new ATOM 0 HB3 HIS A 121 26.874 -1.219 -15.590 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.716 1.075 -14.164 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.485 -3.047 -14.315 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.224 0.731 -13.847 1.00 0.00 H new ATOM 558 N LEU A 122 24.307 -1.442 -13.147 1.00 0.00 N ATOM 559 CA LEU A 122 22.899 -1.802 -13.112 1.00 0.00 C ATOM 560 C LEU A 122 22.190 -0.881 -12.116 1.00 0.00 C ATOM 561 O LEU A 122 21.700 -1.331 -11.080 1.00 0.00 O ATOM 562 CB LEU A 122 22.744 -3.282 -12.695 1.00 0.00 C ATOM 563 CG LEU A 122 22.868 -4.240 -13.897 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.701 -4.030 -14.866 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.191 -4.033 -14.633 1.00 0.00 C ATOM 0 H LEU A 122 24.896 -2.012 -12.540 1.00 0.00 H new ATOM 0 HA LEU A 122 22.453 -1.683 -14.099 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.504 -3.531 -11.954 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.774 -3.424 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 122 22.841 -5.260 -13.515 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.801 -4.713 -15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.761 -4.226 -14.351 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.709 -3.002 -15.228 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.250 -4.722 -15.475 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.248 -3.008 -14.998 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.020 -4.222 -13.951 1.00 0.00 H new ATOM 577 N LYS A 123 22.145 0.417 -12.439 1.00 0.00 N ATOM 578 CA LYS A 123 21.518 1.412 -11.581 1.00 0.00 C ATOM 579 C LYS A 123 20.107 0.962 -11.207 1.00 0.00 C ATOM 580 O LYS A 123 19.328 0.569 -12.074 1.00 0.00 O ATOM 581 CB LYS A 123 21.483 2.761 -12.312 1.00 0.00 C ATOM 582 CG LYS A 123 22.913 3.273 -12.581 1.00 0.00 C ATOM 583 CD LYS A 123 23.674 3.563 -11.269 1.00 0.00 C ATOM 584 CE LYS A 123 22.871 4.494 -10.347 1.00 0.00 C ATOM 585 NZ LYS A 123 22.434 5.711 -11.057 1.00 0.00 N ATOM 0 H LYS A 123 22.541 0.799 -13.298 1.00 0.00 H new ATOM 0 HA LYS A 123 22.095 1.523 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.946 2.656 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.937 3.490 -11.714 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.461 2.532 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 123 22.867 4.181 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.880 2.626 -10.752 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.637 4.019 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.000 3.964 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.481 4.772 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.417 6.512 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.096 5.917 -11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.481 5.563 -11.446 1.00 0.00 H new ATOM 599 N GLY A 124 19.791 1.015 -9.906 1.00 0.00 N ATOM 600 CA GLY A 124 18.495 0.590 -9.396 1.00 0.00 C ATOM 601 C GLY A 124 18.641 -0.750 -8.682 1.00 0.00 C ATOM 602 O GLY A 124 18.069 -0.951 -7.611 1.00 0.00 O ATOM 0 H GLY A 124 20.429 1.353 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.100 1.338 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.782 0.501 -10.215 1.00 0.00 H new ATOM 606 N ARG A 125 19.414 -1.666 -9.278 1.00 0.00 N ATOM 607 CA ARG A 125 19.645 -2.978 -8.700 1.00 0.00 C ATOM 608 C ARG A 125 20.782 -2.883 -7.689 1.00 0.00 C ATOM 609 O ARG A 125 21.952 -2.860 -8.069 1.00 0.00 O ATOM 610 CB ARG A 125 20.006 -3.977 -9.806 1.00 0.00 C ATOM 611 CG ARG A 125 18.880 -4.076 -10.843 1.00 0.00 C ATOM 612 CD ARG A 125 17.686 -4.853 -10.273 1.00 0.00 C ATOM 613 NE ARG A 125 16.863 -5.367 -11.365 1.00 0.00 N ATOM 614 CZ ARG A 125 15.780 -6.139 -11.193 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.316 -6.395 -9.966 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.163 -6.657 -12.257 1.00 0.00 N ATOM 0 H ARG A 125 19.890 -1.512 -10.167 1.00 0.00 H new ATOM 0 HA ARG A 125 18.741 -3.324 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.930 -3.667 -10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.191 -4.958 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.562 -3.076 -11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.248 -4.572 -11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.039 -5.677 -9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.091 -4.203 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 125 17.129 -5.123 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.786 -6.002 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.492 -6.983 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.516 -6.465 -13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.339 -7.245 -12.133 1.00 0.00 H new ATOM 630 N ILE A 126 20.439 -2.832 -6.401 1.00 0.00 N ATOM 631 CA ILE A 126 21.436 -2.760 -5.346 1.00 0.00 C ATOM 632 C ILE A 126 22.250 -4.059 -5.323 1.00 0.00 C ATOM 633 O ILE A 126 21.912 -5.020 -6.015 1.00 0.00 O ATOM 634 CB ILE A 126 20.756 -2.505 -3.984 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.671 -3.580 -3.702 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.166 -1.086 -3.962 1.00 0.00 C ATOM 637 CD1 ILE A 126 18.247 -3.042 -3.918 1.00 0.00 C ATOM 0 H ILE A 126 19.475 -2.840 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 126 22.113 -1.928 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 126 21.499 -2.581 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.835 -4.439 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 126 19.772 -3.934 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.686 -0.906 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.963 -0.358 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.430 -0.986 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 126 17.524 -3.831 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 126 18.070 -2.201 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 126 18.135 -2.713 -4.951 1.00 0.00 H new ATOM 649 N GLY A 127 23.323 -4.085 -4.524 1.00 0.00 N ATOM 650 CA GLY A 127 24.179 -5.259 -4.412 1.00 0.00 C ATOM 651 C GLY A 127 23.345 -6.517 -4.153 1.00 0.00 C ATOM 652 O GLY A 127 23.663 -7.588 -4.665 1.00 0.00 O ATOM 0 H GLY A 127 23.616 -3.298 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.757 -5.382 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 127 24.894 -5.118 -3.601 1.00 0.00 H new ATOM 656 N LYS A 128 22.274 -6.378 -3.357 1.00 0.00 N ATOM 657 CA LYS A 128 21.399 -7.493 -3.025 1.00 0.00 C ATOM 658 C LYS A 128 20.802 -8.107 -4.296 1.00 0.00 C ATOM 659 O LYS A 128 20.773 -9.326 -4.433 1.00 0.00 O ATOM 660 CB LYS A 128 20.288 -6.995 -2.089 1.00 0.00 C ATOM 661 CG LYS A 128 19.501 -8.183 -1.510 1.00 0.00 C ATOM 662 CD LYS A 128 20.230 -8.767 -0.291 1.00 0.00 C ATOM 663 CE LYS A 128 19.893 -7.949 0.962 1.00 0.00 C ATOM 664 NZ LYS A 128 20.532 -8.527 2.159 1.00 0.00 N ATOM 0 H LYS A 128 21.998 -5.493 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 128 21.975 -8.269 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 128 20.722 -6.409 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.613 -6.335 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 128 18.501 -7.859 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.380 -8.953 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.938 -9.807 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.306 -8.759 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.226 -6.920 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.812 -7.919 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 20.288 -7.955 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 20.195 -9.501 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.564 -8.533 2.033 1.00 0.00 H new ATOM 678 N GLN A 129 20.321 -7.263 -5.221 1.00 0.00 N ATOM 679 CA GLN A 129 19.703 -7.739 -6.452 1.00 0.00 C ATOM 680 C GLN A 129 20.700 -8.549 -7.271 1.00 0.00 C ATOM 681 O GLN A 129 20.441 -9.706 -7.595 1.00 0.00 O ATOM 682 CB GLN A 129 19.208 -6.548 -7.289 1.00 0.00 C ATOM 683 CG GLN A 129 17.862 -6.021 -6.779 1.00 0.00 C ATOM 684 CD GLN A 129 16.827 -7.134 -6.665 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.632 -7.884 -7.747 1.00 0.00 O flip ATOM 686 NE2 GLN A 129 16.217 -7.313 -5.617 1.00 0.00 N flip ATOM 0 H GLN A 129 20.352 -6.247 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 129 18.858 -8.375 -6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.948 -5.748 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.109 -6.851 -8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.000 -5.552 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.494 -5.249 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.399 -6.713 -4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.527 -8.062 -5.550 1.00 0.00 H new ATOM 695 N CYS A 130 21.833 -7.931 -7.616 1.00 0.00 N ATOM 696 CA CYS A 130 22.851 -8.579 -8.430 1.00 0.00 C ATOM 697 C CYS A 130 23.296 -9.886 -7.773 1.00 0.00 C ATOM 698 O CYS A 130 23.408 -10.911 -8.445 1.00 0.00 O ATOM 699 CB CYS A 130 24.039 -7.631 -8.617 1.00 0.00 C ATOM 700 SG CYS A 130 23.481 -6.130 -9.468 1.00 0.00 S ATOM 0 H CYS A 130 22.064 -6.977 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 130 22.436 -8.816 -9.410 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.470 -7.375 -7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.822 -8.121 -9.196 1.00 0.00 H new ATOM 0 HG CYS A 130 24.487 -5.322 -9.626 1.00 0.00 H new ATOM 706 N ARG A 131 23.544 -9.848 -6.458 1.00 0.00 N ATOM 707 CA ARG A 131 23.971 -11.023 -5.719 1.00 0.00 C ATOM 708 C ARG A 131 22.922 -12.129 -5.831 1.00 0.00 C ATOM 709 O ARG A 131 23.247 -13.244 -6.205 1.00 0.00 O ATOM 710 CB ARG A 131 24.200 -10.646 -4.250 1.00 0.00 C ATOM 711 CG ARG A 131 24.782 -11.843 -3.485 1.00 0.00 C ATOM 712 CD ARG A 131 24.327 -11.793 -2.026 1.00 0.00 C ATOM 713 NE ARG A 131 24.885 -12.918 -1.261 1.00 0.00 N ATOM 714 CZ ARG A 131 24.415 -14.178 -1.347 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.375 -14.462 -2.145 1.00 0.00 N ATOM 716 NH2 ARG A 131 24.991 -15.153 -0.632 1.00 0.00 N ATOM 0 H ARG A 131 23.453 -9.006 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 131 24.905 -11.395 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.881 -9.797 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.260 -10.336 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.455 -12.775 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.871 -11.826 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.641 -10.851 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.238 -11.822 -1.980 1.00 0.00 H new ATOM 0 HE ARG A 131 25.668 -12.735 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.935 -13.722 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.025 -15.418 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.783 -14.941 -0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.638 -16.108 -0.695 1.00 0.00 H new ATOM 730 N GLU A 132 21.669 -11.818 -5.494 1.00 0.00 N ATOM 731 CA GLU A 132 20.591 -12.797 -5.515 1.00 0.00 C ATOM 732 C GLU A 132 20.441 -13.413 -6.907 1.00 0.00 C ATOM 733 O GLU A 132 20.438 -14.632 -7.044 1.00 0.00 O ATOM 734 CB GLU A 132 19.290 -12.112 -5.078 1.00 0.00 C ATOM 735 CG GLU A 132 18.172 -13.149 -4.926 1.00 0.00 C ATOM 736 CD GLU A 132 16.858 -12.475 -4.552 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.848 -11.772 -3.516 1.00 0.00 O ATOM 738 OE2 GLU A 132 15.879 -12.671 -5.308 1.00 0.00 O ATOM 0 H GLU A 132 21.378 -10.885 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 132 20.824 -13.607 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.444 -11.591 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.002 -11.360 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.051 -13.700 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.445 -13.875 -4.160 1.00 0.00 H new ATOM 745 N ARG A 133 20.309 -12.573 -7.934 1.00 0.00 N ATOM 746 CA ARG A 133 20.111 -13.046 -9.296 1.00 0.00 C ATOM 747 C ARG A 133 21.194 -14.062 -9.687 1.00 0.00 C ATOM 748 O ARG A 133 20.909 -15.020 -10.406 1.00 0.00 O ATOM 749 CB ARG A 133 20.112 -11.840 -10.254 1.00 0.00 C ATOM 750 CG ARG A 133 19.743 -12.271 -11.686 1.00 0.00 C ATOM 751 CD ARG A 133 18.258 -12.643 -11.766 1.00 0.00 C ATOM 752 NE ARG A 133 17.864 -12.948 -13.150 1.00 0.00 N ATOM 753 CZ ARG A 133 16.715 -13.577 -13.465 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.871 -13.950 -12.500 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.414 -13.827 -14.742 1.00 0.00 N ATOM 0 H ARG A 133 20.336 -11.557 -7.843 1.00 0.00 H new ATOM 0 HA ARG A 133 19.150 -13.556 -9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.403 -11.091 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.096 -11.372 -10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.960 -11.462 -12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.354 -13.122 -11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.061 -13.506 -11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.653 -11.821 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 133 18.490 -12.670 -13.906 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.096 -13.759 -11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.001 -14.426 -12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.055 -13.542 -15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.543 -14.303 -14.977 1.00 0.00 H new ATOM 769 N TRP A 134 22.434 -13.849 -9.227 1.00 0.00 N ATOM 770 CA TRP A 134 23.550 -14.705 -9.602 1.00 0.00 C ATOM 771 C TRP A 134 23.689 -15.932 -8.685 1.00 0.00 C ATOM 772 O TRP A 134 23.816 -17.052 -9.174 1.00 0.00 O ATOM 773 CB TRP A 134 24.835 -13.875 -9.593 1.00 0.00 C ATOM 774 CG TRP A 134 25.903 -14.428 -10.473 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.036 -15.025 -10.066 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.945 -14.463 -11.926 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.783 -15.439 -11.141 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.147 -15.124 -12.329 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.089 -14.007 -12.955 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.465 -15.335 -13.672 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.408 -14.216 -14.301 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.585 -14.889 -14.662 1.00 0.00 C ATOM 0 H TRP A 134 22.682 -13.088 -8.594 1.00 0.00 H new ATOM 0 HA TRP A 134 23.359 -15.093 -10.603 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.604 -12.858 -9.910 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.212 -13.813 -8.572 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.320 -15.161 -9.033 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.683 -15.914 -11.073 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.176 -13.490 -12.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.382 -15.838 -13.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.741 -13.856 -15.070 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.811 -15.062 -15.704 1.00 0.00 H new ATOM 793 N HIS A 135 23.687 -15.724 -7.362 1.00 0.00 N ATOM 794 CA HIS A 135 23.905 -16.803 -6.392 1.00 0.00 C ATOM 795 C HIS A 135 22.656 -17.681 -6.197 1.00 0.00 C ATOM 796 O HIS A 135 22.490 -18.276 -5.132 1.00 0.00 O ATOM 797 CB HIS A 135 24.339 -16.186 -5.054 1.00 0.00 C ATOM 798 CG HIS A 135 25.755 -15.676 -5.077 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.837 -16.461 -4.696 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.303 -14.467 -5.422 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.939 -15.697 -4.829 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.682 -14.464 -5.267 1.00 0.00 N ATOM 0 H HIS A 135 23.535 -14.809 -6.937 1.00 0.00 H new ATOM 0 HA HIS A 135 24.686 -17.456 -6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.667 -15.366 -4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.240 -16.933 -4.266 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.803 -17.429 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.731 -13.620 -5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.934 -16.049 -4.603 1.00 0.00 H new ATOM 810 N ASN A 136 21.787 -17.779 -7.211 1.00 0.00 N ATOM 811 CA ASN A 136 20.598 -18.626 -7.131 1.00 0.00 C ATOM 812 C ASN A 136 20.339 -19.279 -8.477 1.00 0.00 C ATOM 813 O ASN A 136 20.337 -20.504 -8.586 1.00 0.00 O ATOM 814 CB ASN A 136 19.381 -17.797 -6.710 1.00 0.00 C ATOM 815 CG ASN A 136 19.444 -17.442 -5.233 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.891 -18.150 -4.397 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.118 -16.345 -4.912 1.00 0.00 N ATOM 0 H ASN A 136 21.888 -17.281 -8.095 1.00 0.00 H new ATOM 0 HA ASN A 136 20.768 -19.401 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.335 -16.885 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.468 -18.356 -6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.192 -16.060 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.562 -15.787 -5.642 1.00 0.00 H new ATOM 824 N HIS A 137 20.106 -18.455 -9.498 1.00 0.00 N ATOM 825 CA HIS A 137 19.797 -18.949 -10.835 1.00 0.00 C ATOM 826 C HIS A 137 21.084 -19.241 -11.618 1.00 0.00 C ATOM 827 O HIS A 137 22.009 -19.859 -11.093 1.00 0.00 O ATOM 828 CB HIS A 137 18.928 -17.917 -11.565 1.00 0.00 C ATOM 829 CG HIS A 137 17.815 -17.385 -10.711 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.693 -18.131 -10.372 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.630 -16.174 -10.112 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.918 -17.336 -9.608 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.435 -16.121 -9.411 1.00 0.00 N ATOM 0 H HIS A 137 20.126 -17.438 -9.422 1.00 0.00 H new ATOM 0 HA HIS A 137 19.245 -19.886 -10.756 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.555 -17.088 -11.894 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.506 -18.373 -12.461 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.330 -15.354 -10.176 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.971 -17.651 -9.195 1.00 0.00 H new ATOM 0 HE2 HIS A 137 16.046 -15.344 -8.876 1.00 0.00 H new ATOM 841 N LEU A 138 21.121 -18.799 -12.884 1.00 0.00 N ATOM 842 CA LEU A 138 22.248 -19.014 -13.780 1.00 0.00 C ATOM 843 C LEU A 138 23.580 -18.669 -13.106 1.00 0.00 C ATOM 844 O LEU A 138 23.725 -17.610 -12.497 1.00 0.00 O ATOM 845 CB LEU A 138 22.047 -18.165 -15.046 1.00 0.00 C ATOM 846 CG LEU A 138 21.735 -16.700 -14.674 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.650 -15.765 -15.449 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.281 -16.371 -15.020 1.00 0.00 C ATOM 0 H LEU A 138 20.356 -18.277 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 138 22.289 -20.071 -14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.944 -18.206 -15.664 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.231 -18.576 -15.641 1.00 0.00 H new ATOM 0 HG LEU A 138 21.895 -16.569 -13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.425 -14.732 -15.182 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.689 -15.986 -15.203 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.493 -15.906 -16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.069 -15.335 -14.754 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.121 -16.511 -16.089 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.616 -17.032 -14.464 1.00 0.00 H new