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 Single : A 96 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0131 (180deg=-0.171) USER MOD Single : A 101 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.31) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -167:sc= -0.314 (180deg=-0.878) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 121 HIS : no HE2:sc= -0.293 K(o=-0.29,f=-1.4) USER MOD Single : A 123 LYS NZ :NH3+ -128:sc= -0.085 (180deg=-0.924) USER MOD Single : A 128 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.993) USER MOD Single : A 129 GLN : amide:sc= 0.265 K(o=0.27,f=-3.9!) USER MOD Single : A 130 CYS SG : rot 99:sc= -0.1 USER MOD Single : A 135 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0087) USER MOD Single : A 136 ASN : amide:sc= 0.839 K(o=0.84,f=-0.011) USER MOD Single : A 137 HIS : no HE2:sc= -0.787 K(o=-0.79,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.346 -10.535 -13.044 1.00 0.00 N ATOM 85 CA TRP A 95 14.402 -9.991 -13.899 1.00 0.00 C ATOM 86 C TRP A 95 13.995 -10.091 -15.381 1.00 0.00 C ATOM 87 O TRP A 95 12.890 -10.534 -15.697 1.00 0.00 O ATOM 88 CB TRP A 95 15.720 -10.734 -13.622 1.00 0.00 C ATOM 89 CG TRP A 95 16.567 -10.135 -12.544 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.314 -10.172 -11.224 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.819 -9.407 -12.674 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.305 -9.536 -10.516 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.269 -9.033 -11.369 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.625 -9.020 -13.762 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.450 -8.314 -11.162 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.813 -8.292 -13.562 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.225 -7.937 -12.265 1.00 0.00 C ATOM 0 HA TRP A 95 14.550 -8.935 -13.672 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.489 -11.765 -13.352 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.301 -10.768 -14.543 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.448 -10.639 -10.780 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.326 -9.447 -9.500 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.327 -9.286 -14.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.761 -8.052 -10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.413 -8.003 -14.412 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.136 -7.375 -12.121 1.00 0.00 H new ATOM 108 N THR A 96 14.893 -9.669 -16.289 1.00 0.00 N ATOM 109 CA THR A 96 14.632 -9.717 -17.727 1.00 0.00 C ATOM 110 C THR A 96 15.881 -10.218 -18.456 1.00 0.00 C ATOM 111 O THR A 96 16.987 -10.139 -17.923 1.00 0.00 O ATOM 112 CB THR A 96 14.218 -8.327 -18.238 1.00 0.00 C ATOM 113 OG1 THR A 96 15.303 -7.436 -18.139 1.00 0.00 O ATOM 114 CG2 THR A 96 13.046 -7.787 -17.414 1.00 0.00 C ATOM 0 H THR A 96 15.808 -9.290 -16.044 1.00 0.00 H new ATOM 0 HA THR A 96 13.811 -10.407 -17.925 1.00 0.00 H new ATOM 0 HB THR A 96 13.914 -8.418 -19.281 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.032 -6.553 -18.468 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.763 -6.802 -17.786 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.197 -8.466 -17.500 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.342 -7.708 -16.368 1.00 0.00 H new ATOM 122 N LYS A 97 15.696 -10.740 -19.678 1.00 0.00 N ATOM 123 CA LYS A 97 16.791 -11.291 -20.469 1.00 0.00 C ATOM 124 C LYS A 97 17.846 -10.224 -20.768 1.00 0.00 C ATOM 125 O LYS A 97 19.040 -10.498 -20.672 1.00 0.00 O ATOM 126 CB LYS A 97 16.232 -11.872 -21.773 1.00 0.00 C ATOM 127 CG LYS A 97 17.341 -12.621 -22.520 1.00 0.00 C ATOM 128 CD LYS A 97 16.788 -13.189 -23.831 1.00 0.00 C ATOM 129 CE LYS A 97 17.850 -14.061 -24.512 1.00 0.00 C ATOM 130 NZ LYS A 97 19.049 -13.275 -24.863 1.00 0.00 N ATOM 0 H LYS A 97 14.787 -10.789 -20.138 1.00 0.00 H new ATOM 0 HA LYS A 97 17.275 -12.082 -19.896 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.405 -12.548 -21.556 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.835 -11.072 -22.398 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.173 -11.947 -22.726 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.731 -13.427 -21.899 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.893 -13.779 -23.633 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.493 -12.376 -24.494 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.131 -14.879 -23.849 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.431 -14.510 -25.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.665 -13.840 -25.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.762 -12.407 -25.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.565 -13.024 -23.996 1.00 0.00 H new ATOM 144 N GLU A 98 17.410 -9.014 -21.138 1.00 0.00 N ATOM 145 CA GLU A 98 18.332 -7.934 -21.460 1.00 0.00 C ATOM 146 C GLU A 98 19.242 -7.667 -20.263 1.00 0.00 C ATOM 147 O GLU A 98 20.460 -7.730 -20.383 1.00 0.00 O ATOM 148 CB GLU A 98 17.533 -6.679 -21.848 1.00 0.00 C ATOM 149 CG GLU A 98 18.438 -5.673 -22.581 1.00 0.00 C ATOM 150 CD GLU A 98 19.416 -4.986 -21.628 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.958 -4.562 -20.547 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.607 -4.896 -22.003 1.00 0.00 O ATOM 0 H GLU A 98 16.424 -8.765 -21.220 1.00 0.00 H new ATOM 0 HA GLU A 98 18.959 -8.215 -22.307 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.695 -6.957 -22.487 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.113 -6.217 -20.955 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.995 -6.189 -23.363 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.821 -4.921 -23.072 1.00 0.00 H new ATOM 159 N GLU A 99 18.640 -7.373 -19.108 1.00 0.00 N ATOM 160 CA GLU A 99 19.386 -7.083 -17.893 1.00 0.00 C ATOM 161 C GLU A 99 20.308 -8.260 -17.552 1.00 0.00 C ATOM 162 O GLU A 99 21.462 -8.055 -17.176 1.00 0.00 O ATOM 163 CB GLU A 99 18.392 -6.815 -16.760 1.00 0.00 C ATOM 164 CG GLU A 99 18.574 -5.394 -16.224 1.00 0.00 C ATOM 165 CD GLU A 99 17.411 -4.999 -15.319 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.469 -5.823 -15.197 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.481 -3.885 -14.760 1.00 0.00 O ATOM 0 H GLU A 99 17.627 -7.331 -18.994 1.00 0.00 H new ATOM 0 HA GLU A 99 20.011 -6.201 -18.035 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.372 -6.947 -17.122 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.541 -7.537 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.510 -5.328 -15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.646 -4.694 -17.056 1.00 0.00 H new ATOM 174 N ASP A 100 19.799 -9.493 -17.693 1.00 0.00 N ATOM 175 CA ASP A 100 20.589 -10.690 -17.429 1.00 0.00 C ATOM 176 C ASP A 100 21.828 -10.697 -18.317 1.00 0.00 C ATOM 177 O ASP A 100 22.917 -11.022 -17.853 1.00 0.00 O ATOM 178 CB ASP A 100 19.741 -11.945 -17.688 1.00 0.00 C ATOM 179 CG ASP A 100 19.105 -12.462 -16.410 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.824 -11.628 -15.527 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.904 -13.692 -16.336 1.00 0.00 O ATOM 0 H ASP A 100 18.841 -9.680 -17.989 1.00 0.00 H new ATOM 0 HA ASP A 100 20.903 -10.689 -16.385 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.963 -11.715 -18.416 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.366 -12.724 -18.125 1.00 0.00 H new ATOM 186 N GLN A 101 21.665 -10.337 -19.597 1.00 0.00 N ATOM 187 CA GLN A 101 22.781 -10.298 -20.528 1.00 0.00 C ATOM 188 C GLN A 101 23.853 -9.338 -20.009 1.00 0.00 C ATOM 189 O GLN A 101 25.046 -9.628 -20.116 1.00 0.00 O ATOM 190 CB GLN A 101 22.284 -9.880 -21.920 1.00 0.00 C ATOM 191 CG GLN A 101 23.429 -9.948 -22.941 1.00 0.00 C ATOM 192 CD GLN A 101 23.999 -11.360 -23.045 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.476 -12.189 -23.783 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.075 -11.630 -22.301 1.00 0.00 N ATOM 0 H GLN A 101 20.768 -10.070 -20.003 1.00 0.00 H new ATOM 0 HA GLN A 101 23.225 -11.290 -20.611 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.470 -10.533 -22.233 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.883 -8.867 -21.881 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.067 -9.627 -23.918 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.219 -9.255 -22.651 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.475 -10.908 -21.702 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.497 -12.558 -22.332 1.00 0.00 H new ATOM 203 N ARG A 102 23.431 -8.197 -19.440 1.00 0.00 N ATOM 204 CA ARG A 102 24.370 -7.225 -18.895 1.00 0.00 C ATOM 205 C ARG A 102 25.131 -7.855 -17.730 1.00 0.00 C ATOM 206 O ARG A 102 26.351 -7.756 -17.667 1.00 0.00 O ATOM 207 CB ARG A 102 23.635 -5.958 -18.438 1.00 0.00 C ATOM 208 CG ARG A 102 22.710 -5.450 -19.548 1.00 0.00 C ATOM 209 CD ARG A 102 22.399 -3.968 -19.325 1.00 0.00 C ATOM 210 NE ARG A 102 23.489 -3.119 -19.822 1.00 0.00 N ATOM 211 CZ ARG A 102 23.667 -2.833 -21.126 1.00 0.00 C ATOM 212 NH1 ARG A 102 22.825 -3.317 -22.052 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.694 -2.060 -21.502 1.00 0.00 N ATOM 0 H ARG A 102 22.450 -7.933 -19.350 1.00 0.00 H new ATOM 0 HA ARG A 102 25.078 -6.938 -19.672 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.054 -6.170 -17.540 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.357 -5.185 -18.175 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.183 -5.590 -20.520 1.00 0.00 H new ATOM 0 HG3 ARG A 102 21.786 -6.028 -19.557 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.470 -3.708 -19.833 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.244 -3.782 -18.262 1.00 0.00 H new ATOM 0 HE ARG A 102 24.144 -2.726 -19.146 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.042 -3.907 -21.771 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.968 -3.095 -23.037 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.337 -1.691 -20.802 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.833 -1.841 -22.488 1.00 0.00 H new ATOM 227 N VAL A 103 24.407 -8.510 -16.806 1.00 0.00 N ATOM 228 CA VAL A 103 25.032 -9.165 -15.661 1.00 0.00 C ATOM 229 C VAL A 103 26.061 -10.178 -16.153 1.00 0.00 C ATOM 230 O VAL A 103 27.194 -10.179 -15.690 1.00 0.00 O ATOM 231 CB VAL A 103 23.959 -9.852 -14.799 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.624 -10.772 -13.767 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.137 -8.794 -14.066 1.00 0.00 C ATOM 0 H VAL A 103 23.391 -8.596 -16.836 1.00 0.00 H new ATOM 0 HA VAL A 103 25.539 -8.421 -15.047 1.00 0.00 H new ATOM 0 HB VAL A 103 23.311 -10.442 -15.447 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.857 -11.254 -13.161 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.211 -11.533 -14.282 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.278 -10.184 -13.123 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.377 -9.282 -13.456 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.792 -8.203 -13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.654 -8.141 -14.793 1.00 0.00 H new ATOM 243 N ILE A 104 25.661 -11.037 -17.095 1.00 0.00 N ATOM 244 CA ILE A 104 26.544 -12.053 -17.650 1.00 0.00 C ATOM 245 C ILE A 104 27.815 -11.399 -18.198 1.00 0.00 C ATOM 246 O ILE A 104 28.915 -11.881 -17.945 1.00 0.00 O ATOM 247 CB ILE A 104 25.794 -12.826 -18.750 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.765 -13.764 -18.102 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.788 -13.649 -19.583 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.689 -14.158 -19.119 1.00 0.00 C ATOM 0 H ILE A 104 24.720 -11.044 -17.489 1.00 0.00 H new ATOM 0 HA ILE A 104 26.841 -12.755 -16.871 1.00 0.00 H new ATOM 0 HB ILE A 104 25.284 -12.118 -19.403 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.264 -14.657 -17.726 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.303 -13.272 -17.246 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.250 -14.193 -20.359 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.515 -12.982 -20.046 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.306 -14.357 -18.936 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.967 -14.823 -18.645 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.179 -13.263 -19.475 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.155 -14.669 -19.962 1.00 0.00 H new ATOM 262 N GLU A 105 27.662 -10.301 -18.948 1.00 0.00 N ATOM 263 CA GLU A 105 28.798 -9.600 -19.532 1.00 0.00 C ATOM 264 C GLU A 105 29.710 -9.044 -18.432 1.00 0.00 C ATOM 265 O GLU A 105 30.928 -9.201 -18.496 1.00 0.00 O ATOM 266 CB GLU A 105 28.288 -8.463 -20.426 1.00 0.00 C ATOM 267 CG GLU A 105 29.435 -7.929 -21.298 1.00 0.00 C ATOM 268 CD GLU A 105 29.366 -6.412 -21.429 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.249 -5.911 -21.679 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.437 -5.780 -21.273 1.00 0.00 O ATOM 0 H GLU A 105 26.757 -9.882 -19.162 1.00 0.00 H new ATOM 0 HA GLU A 105 29.379 -10.299 -20.133 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.476 -8.822 -21.058 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.882 -7.659 -19.811 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.392 -8.216 -20.861 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.386 -8.385 -22.287 1.00 0.00 H new ATOM 277 N LEU A 106 29.121 -8.386 -17.428 1.00 0.00 N ATOM 278 CA LEU A 106 29.883 -7.775 -16.350 1.00 0.00 C ATOM 279 C LEU A 106 30.576 -8.850 -15.511 1.00 0.00 C ATOM 280 O LEU A 106 31.674 -8.628 -15.014 1.00 0.00 O ATOM 281 CB LEU A 106 28.946 -6.923 -15.485 1.00 0.00 C ATOM 282 CG LEU A 106 28.398 -5.735 -16.298 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.121 -5.208 -15.639 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.433 -4.609 -16.344 1.00 0.00 C ATOM 0 H LEU A 106 28.111 -8.266 -17.346 1.00 0.00 H new ATOM 0 HA LEU A 106 30.656 -7.132 -16.771 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.120 -7.534 -15.121 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.482 -6.557 -14.609 1.00 0.00 H new ATOM 0 HG LEU A 106 28.182 -6.072 -17.312 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.734 -4.367 -16.215 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.374 -6.001 -15.608 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.344 -4.880 -14.624 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.036 -3.774 -16.921 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.655 -4.277 -15.330 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.346 -4.973 -16.814 1.00 0.00 H new ATOM 296 N VAL A 107 29.937 -10.012 -15.359 1.00 0.00 N ATOM 297 CA VAL A 107 30.501 -11.109 -14.586 1.00 0.00 C ATOM 298 C VAL A 107 31.656 -11.731 -15.364 1.00 0.00 C ATOM 299 O VAL A 107 32.725 -11.932 -14.819 1.00 0.00 O ATOM 300 CB VAL A 107 29.408 -12.144 -14.280 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.043 -13.465 -13.837 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.512 -11.622 -13.155 1.00 0.00 C ATOM 0 H VAL A 107 29.023 -10.213 -15.766 1.00 0.00 H new ATOM 0 HA VAL A 107 30.887 -10.739 -13.636 1.00 0.00 H new ATOM 0 HB VAL A 107 28.818 -12.310 -15.181 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.259 -14.192 -13.623 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.683 -13.846 -14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.639 -13.299 -12.940 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.736 -12.356 -12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.112 -11.452 -12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.049 -10.685 -13.464 1.00 0.00 H new ATOM 312 N GLN A 108 31.440 -12.030 -16.643 1.00 0.00 N ATOM 313 CA GLN A 108 32.479 -12.610 -17.480 1.00 0.00 C ATOM 314 C GLN A 108 33.680 -11.657 -17.559 1.00 0.00 C ATOM 315 O GLN A 108 34.815 -12.097 -17.725 1.00 0.00 O ATOM 316 CB GLN A 108 31.897 -12.876 -18.873 1.00 0.00 C ATOM 317 CG GLN A 108 32.920 -13.617 -19.741 1.00 0.00 C ATOM 318 CD GLN A 108 32.313 -14.000 -21.085 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.169 -15.180 -21.392 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.956 -12.998 -21.889 1.00 0.00 N ATOM 0 H GLN A 108 30.551 -11.878 -17.120 1.00 0.00 H new ATOM 0 HA GLN A 108 32.825 -13.551 -17.052 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.985 -13.467 -18.787 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.622 -11.933 -19.346 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.795 -12.986 -19.899 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.262 -14.513 -19.223 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.094 -12.032 -21.592 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.545 -13.198 -22.801 1.00 0.00 H new ATOM 329 N LYS A 109 33.416 -10.349 -17.447 1.00 0.00 N ATOM 330 CA LYS A 109 34.446 -9.329 -17.544 1.00 0.00 C ATOM 331 C LYS A 109 35.202 -9.166 -16.215 1.00 0.00 C ATOM 332 O LYS A 109 36.413 -9.369 -16.168 1.00 0.00 O ATOM 333 CB LYS A 109 33.772 -8.019 -17.965 1.00 0.00 C ATOM 334 CG LYS A 109 34.825 -6.941 -18.238 1.00 0.00 C ATOM 335 CD LYS A 109 34.245 -5.861 -19.167 1.00 0.00 C ATOM 336 CE LYS A 109 32.988 -5.232 -18.545 1.00 0.00 C ATOM 337 NZ LYS A 109 31.759 -5.919 -18.994 1.00 0.00 N ATOM 0 H LYS A 109 32.480 -9.977 -17.287 1.00 0.00 H new ATOM 0 HA LYS A 109 35.189 -9.622 -18.286 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.170 -8.183 -18.859 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.093 -7.683 -17.181 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.147 -6.490 -17.299 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.707 -7.390 -18.695 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.993 -5.089 -19.348 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.999 -6.299 -20.134 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.056 -5.279 -17.458 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.936 -4.177 -18.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 30.929 -5.346 -18.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.790 -6.046 -20.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 31.692 -6.849 -18.532 1.00 0.00 H new ATOM 351 N TYR A 110 34.492 -8.782 -15.145 1.00 0.00 N ATOM 352 CA TYR A 110 35.111 -8.535 -13.842 1.00 0.00 C ATOM 353 C TYR A 110 35.269 -9.831 -13.046 1.00 0.00 C ATOM 354 O TYR A 110 36.309 -10.052 -12.422 1.00 0.00 O ATOM 355 CB TYR A 110 34.248 -7.541 -13.057 1.00 0.00 C ATOM 356 CG TYR A 110 34.148 -6.178 -13.712 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.311 -5.418 -13.937 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.893 -5.667 -14.091 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.219 -4.153 -14.542 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.804 -4.403 -14.695 1.00 0.00 C ATOM 361 CZ TYR A 110 33.965 -3.646 -14.921 1.00 0.00 C ATOM 362 OH TYR A 110 33.873 -2.419 -15.508 1.00 0.00 O ATOM 0 H TYR A 110 33.483 -8.636 -15.160 1.00 0.00 H new ATOM 0 HA TYR A 110 36.106 -8.120 -14.003 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.246 -7.954 -12.942 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.662 -7.424 -12.055 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.275 -5.807 -13.644 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.999 -6.247 -13.917 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.112 -3.571 -14.715 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.840 -4.012 -14.987 1.00 0.00 H new ATOM 0 HH TYR A 110 32.934 -2.221 -15.707 1.00 0.00 H new ATOM 372 N GLY A 111 34.233 -10.675 -13.056 1.00 0.00 N ATOM 373 CA GLY A 111 34.225 -11.928 -12.308 1.00 0.00 C ATOM 374 C GLY A 111 33.208 -11.836 -11.170 1.00 0.00 C ATOM 375 O GLY A 111 32.670 -10.760 -10.909 1.00 0.00 O ATOM 0 H GLY A 111 33.377 -10.505 -13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.973 -12.757 -12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.218 -12.131 -11.907 1.00 0.00 H new ATOM 379 N PRO A 112 32.943 -12.963 -10.484 1.00 0.00 N ATOM 380 CA PRO A 112 32.015 -13.006 -9.370 1.00 0.00 C ATOM 381 C PRO A 112 32.483 -12.090 -8.232 1.00 0.00 C ATOM 382 O PRO A 112 33.592 -11.548 -8.278 1.00 0.00 O ATOM 383 CB PRO A 112 31.965 -14.472 -8.926 1.00 0.00 C ATOM 384 CG PRO A 112 33.017 -15.224 -9.750 1.00 0.00 C ATOM 385 CD PRO A 112 33.553 -14.238 -10.788 1.00 0.00 C ATOM 0 HA PRO A 112 31.026 -12.648 -9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.175 -14.560 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.973 -14.892 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.821 -15.587 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.577 -16.095 -10.235 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.640 -14.172 -10.737 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.300 -14.560 -11.798 1.00 0.00 H new ATOM 393 N LYS A 113 31.622 -11.923 -7.213 1.00 0.00 N ATOM 394 CA LYS A 113 31.902 -11.063 -6.061 1.00 0.00 C ATOM 395 C LYS A 113 31.999 -9.603 -6.514 1.00 0.00 C ATOM 396 O LYS A 113 31.741 -9.294 -7.677 1.00 0.00 O ATOM 397 CB LYS A 113 33.187 -11.512 -5.341 1.00 0.00 C ATOM 398 CG LYS A 113 33.103 -13.005 -4.998 1.00 0.00 C ATOM 399 CD LYS A 113 34.293 -13.409 -4.119 1.00 0.00 C ATOM 400 CE LYS A 113 34.030 -13.013 -2.660 1.00 0.00 C ATOM 401 NZ LYS A 113 35.122 -13.472 -1.782 1.00 0.00 N ATOM 0 H LYS A 113 30.713 -12.383 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 113 31.082 -11.149 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.053 -11.325 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.326 -10.929 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.168 -13.215 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.099 -13.597 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.457 -14.484 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.201 -12.924 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 113 33.930 -11.930 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.086 -13.444 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.920 -13.192 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.200 -14.508 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 36.018 -13.041 -2.088 1.00 0.00 H new ATOM 415 N ARG A 114 32.364 -8.702 -5.585 1.00 0.00 N ATOM 416 CA ARG A 114 32.471 -7.273 -5.877 1.00 0.00 C ATOM 417 C ARG A 114 31.168 -6.790 -6.516 1.00 0.00 C ATOM 418 O ARG A 114 31.185 -6.000 -7.458 1.00 0.00 O ATOM 419 CB ARG A 114 33.664 -7.017 -6.811 1.00 0.00 C ATOM 420 CG ARG A 114 34.973 -7.458 -6.140 1.00 0.00 C ATOM 421 CD ARG A 114 36.005 -7.798 -7.215 1.00 0.00 C ATOM 422 NE ARG A 114 35.601 -9.001 -7.956 1.00 0.00 N ATOM 423 CZ ARG A 114 36.089 -9.327 -9.164 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.027 -8.569 -9.748 1.00 0.00 N ATOM 425 NH2 ARG A 114 35.635 -10.414 -9.785 1.00 0.00 N ATOM 0 H ARG A 114 32.590 -8.947 -4.621 1.00 0.00 H new ATOM 0 HA ARG A 114 32.637 -6.719 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.526 -7.561 -7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.716 -5.958 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.350 -6.663 -5.496 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.795 -8.325 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.112 -6.959 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.980 -7.958 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 114 34.913 -9.622 -7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.377 -7.736 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.391 -8.825 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 114 34.921 -10.993 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 114 36.001 -10.667 -10.703 1.00 0.00 H new ATOM 439 N TRP A 115 30.037 -7.279 -5.998 1.00 0.00 N ATOM 440 CA TRP A 115 28.728 -6.946 -6.535 1.00 0.00 C ATOM 441 C TRP A 115 28.429 -5.455 -6.390 1.00 0.00 C ATOM 442 O TRP A 115 27.533 -4.947 -7.055 1.00 0.00 O ATOM 443 CB TRP A 115 27.676 -7.813 -5.846 1.00 0.00 C ATOM 444 CG TRP A 115 27.749 -9.246 -6.265 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.125 -10.282 -5.496 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.482 -9.815 -7.578 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.125 -11.454 -6.218 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.738 -11.221 -7.526 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.057 -9.286 -8.819 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.591 -12.047 -8.642 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.904 -10.117 -9.945 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.177 -11.489 -9.860 1.00 0.00 C ATOM 0 H TRP A 115 30.010 -7.913 -5.199 1.00 0.00 H new ATOM 0 HA TRP A 115 28.709 -7.156 -7.605 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.807 -7.747 -4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.684 -7.422 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.391 -10.205 -4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.376 -12.368 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.847 -8.230 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.794 -13.105 -8.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.574 -9.694 -10.882 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.069 -12.116 -10.732 1.00 0.00 H new ATOM 463 N SER A 116 29.185 -4.748 -5.543 1.00 0.00 N ATOM 464 CA SER A 116 29.019 -3.313 -5.393 1.00 0.00 C ATOM 465 C SER A 116 29.410 -2.625 -6.706 1.00 0.00 C ATOM 466 O SER A 116 28.787 -1.644 -7.105 1.00 0.00 O ATOM 467 CB SER A 116 29.889 -2.813 -4.237 1.00 0.00 C ATOM 468 OG SER A 116 29.634 -1.443 -4.010 1.00 0.00 O ATOM 0 H SER A 116 29.914 -5.152 -4.956 1.00 0.00 H new ATOM 0 HA SER A 116 27.979 -3.077 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 116 29.677 -3.387 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.943 -2.963 -4.471 1.00 0.00 H new ATOM 0 HG SER A 116 30.191 -1.125 -3.269 1.00 0.00 H new ATOM 474 N VAL A 117 30.447 -3.151 -7.375 1.00 0.00 N ATOM 475 CA VAL A 117 30.921 -2.599 -8.636 1.00 0.00 C ATOM 476 C VAL A 117 29.863 -2.817 -9.716 1.00 0.00 C ATOM 477 O VAL A 117 29.471 -1.875 -10.402 1.00 0.00 O ATOM 478 CB VAL A 117 32.251 -3.273 -9.018 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.725 -2.762 -10.381 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.313 -2.954 -7.961 1.00 0.00 C ATOM 0 H VAL A 117 30.972 -3.965 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 117 31.093 -1.527 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 117 32.098 -4.351 -9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.667 -3.244 -10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.975 -2.994 -11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.871 -1.683 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.253 -3.433 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.458 -1.875 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 117 32.984 -3.327 -6.991 1.00 0.00 H new ATOM 490 N ILE A 118 29.399 -4.063 -9.861 1.00 0.00 N ATOM 491 CA ILE A 118 28.388 -4.400 -10.853 1.00 0.00 C ATOM 492 C ILE A 118 27.104 -3.607 -10.576 1.00 0.00 C ATOM 493 O ILE A 118 26.459 -3.136 -11.509 1.00 0.00 O ATOM 494 CB ILE A 118 28.151 -5.924 -10.835 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.366 -6.615 -11.488 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.870 -6.268 -11.612 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.225 -8.137 -11.453 1.00 0.00 C ATOM 0 H ILE A 118 29.713 -4.854 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 118 28.727 -4.126 -11.852 1.00 0.00 H new ATOM 0 HB ILE A 118 28.033 -6.270 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.466 -6.281 -12.521 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.278 -6.320 -10.968 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.712 -7.346 -11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.019 -5.768 -11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.970 -5.934 -12.645 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.097 -8.594 -11.921 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.151 -8.472 -10.418 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.326 -8.432 -11.995 1.00 0.00 H new ATOM 509 N ALA A 119 26.740 -3.453 -9.297 1.00 0.00 N ATOM 510 CA ALA A 119 25.546 -2.706 -8.916 1.00 0.00 C ATOM 511 C ALA A 119 25.672 -1.245 -9.354 1.00 0.00 C ATOM 512 O ALA A 119 24.715 -0.668 -9.867 1.00 0.00 O ATOM 513 CB ALA A 119 25.350 -2.798 -7.402 1.00 0.00 C ATOM 0 H ALA A 119 27.261 -3.839 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 119 24.677 -3.136 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.458 -2.240 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.233 -3.842 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.219 -2.377 -6.896 1.00 0.00 H new ATOM 519 N LYS A 120 26.857 -0.647 -9.153 1.00 0.00 N ATOM 520 CA LYS A 120 27.099 0.743 -9.534 1.00 0.00 C ATOM 521 C LYS A 120 26.903 0.929 -11.042 1.00 0.00 C ATOM 522 O LYS A 120 26.583 2.030 -11.487 1.00 0.00 O ATOM 523 CB LYS A 120 28.516 1.152 -9.117 1.00 0.00 C ATOM 524 CG LYS A 120 28.536 1.488 -7.621 1.00 0.00 C ATOM 525 CD LYS A 120 29.981 1.537 -7.110 1.00 0.00 C ATOM 526 CE LYS A 120 30.746 2.672 -7.800 1.00 0.00 C ATOM 527 NZ LYS A 120 32.074 2.864 -7.188 1.00 0.00 N ATOM 0 H LYS A 120 27.660 -1.110 -8.728 1.00 0.00 H new ATOM 0 HA LYS A 120 26.381 1.383 -9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.216 0.343 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.842 2.015 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.049 2.448 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 120 27.971 0.740 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.988 1.687 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.476 0.585 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.860 2.446 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.173 3.596 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.571 3.638 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.961 3.102 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.627 1.988 -7.277 1.00 0.00 H new ATOM 541 N HIS A 121 27.091 -0.141 -11.825 1.00 0.00 N ATOM 542 CA HIS A 121 26.920 -0.079 -13.266 1.00 0.00 C ATOM 543 C HIS A 121 25.447 -0.277 -13.593 1.00 0.00 C ATOM 544 O HIS A 121 24.871 0.491 -14.365 1.00 0.00 O ATOM 545 CB HIS A 121 27.792 -1.148 -13.929 1.00 0.00 C ATOM 546 CG HIS A 121 29.241 -1.023 -13.533 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.819 0.193 -13.187 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.252 -1.941 -13.407 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.105 -0.061 -12.884 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.436 -1.346 -13.000 1.00 0.00 N ATOM 0 H HIS A 121 27.363 -1.060 -11.474 1.00 0.00 H new ATOM 0 HA HIS A 121 27.233 0.892 -13.650 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.425 -2.137 -13.653 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.704 -1.066 -15.012 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.357 1.102 -13.167 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.140 -2.997 -13.601 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.802 0.704 -12.576 1.00 0.00 H new ATOM 558 N LEU A 122 24.834 -1.301 -12.989 1.00 0.00 N ATOM 559 CA LEU A 122 23.422 -1.571 -13.176 1.00 0.00 C ATOM 560 C LEU A 122 22.624 -0.686 -12.221 1.00 0.00 C ATOM 561 O LEU A 122 21.947 -1.184 -11.321 1.00 0.00 O ATOM 562 CB LEU A 122 23.137 -3.060 -12.921 1.00 0.00 C ATOM 563 CG LEU A 122 23.950 -3.942 -13.885 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.604 -5.410 -13.638 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.623 -3.584 -15.339 1.00 0.00 C ATOM 0 H LEU A 122 25.306 -1.955 -12.364 1.00 0.00 H new ATOM 0 HA LEU A 122 23.126 -1.345 -14.200 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.388 -3.312 -11.891 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.073 -3.259 -13.048 1.00 0.00 H new ATOM 0 HG LEU A 122 25.012 -3.773 -13.709 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.178 -6.039 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.848 -5.673 -12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.539 -5.567 -13.810 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.206 -4.216 -16.009 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.560 -3.743 -15.523 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.870 -2.538 -15.521 1.00 0.00 H new ATOM 577 N LYS A 123 22.721 0.638 -12.428 1.00 0.00 N ATOM 578 CA LYS A 123 22.044 1.621 -11.593 1.00 0.00 C ATOM 579 C LYS A 123 20.569 1.256 -11.437 1.00 0.00 C ATOM 580 O LYS A 123 19.798 1.355 -12.390 1.00 0.00 O ATOM 581 CB LYS A 123 22.196 3.009 -12.225 1.00 0.00 C ATOM 582 CG LYS A 123 23.673 3.425 -12.209 1.00 0.00 C ATOM 583 CD LYS A 123 23.816 4.907 -12.583 1.00 0.00 C ATOM 584 CE LYS A 123 23.361 5.142 -14.031 1.00 0.00 C ATOM 585 NZ LYS A 123 21.941 5.537 -14.092 1.00 0.00 N ATOM 0 H LYS A 123 23.273 1.048 -13.181 1.00 0.00 H new ATOM 0 HA LYS A 123 22.495 1.630 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.823 2.996 -13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.597 3.736 -11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.096 3.251 -11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.238 2.810 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.221 5.518 -11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.854 5.219 -12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.976 5.919 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.513 4.233 -14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 21.438 4.923 -14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 21.513 5.441 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.869 6.526 -14.406 1.00 0.00 H new ATOM 599 N GLY A 124 20.193 0.829 -10.227 1.00 0.00 N ATOM 600 CA GLY A 124 18.833 0.419 -9.924 1.00 0.00 C ATOM 601 C GLY A 124 18.867 -0.856 -9.091 1.00 0.00 C ATOM 602 O GLY A 124 18.137 -0.981 -8.109 1.00 0.00 O ATOM 0 H GLY A 124 20.831 0.761 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.315 1.209 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.277 0.250 -10.846 1.00 0.00 H new ATOM 606 N ARG A 125 19.727 -1.802 -9.487 1.00 0.00 N ATOM 607 CA ARG A 125 19.880 -3.063 -8.781 1.00 0.00 C ATOM 608 C ARG A 125 21.031 -2.928 -7.789 1.00 0.00 C ATOM 609 O ARG A 125 22.196 -2.956 -8.179 1.00 0.00 O ATOM 610 CB ARG A 125 20.150 -4.188 -9.791 1.00 0.00 C ATOM 611 CG ARG A 125 18.983 -4.313 -10.784 1.00 0.00 C ATOM 612 CD ARG A 125 17.813 -5.077 -10.148 1.00 0.00 C ATOM 613 NE ARG A 125 16.574 -4.848 -10.904 1.00 0.00 N ATOM 614 CZ ARG A 125 16.358 -5.355 -12.128 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.182 -6.278 -12.632 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.319 -4.932 -12.852 1.00 0.00 N ATOM 0 H ARG A 125 20.331 -1.708 -10.304 1.00 0.00 H new ATOM 0 HA ARG A 125 18.969 -3.310 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.075 -3.985 -10.331 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.289 -5.132 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.652 -3.321 -11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.317 -4.831 -11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.038 -6.143 -10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.680 -4.755 -9.115 1.00 0.00 H new ATOM 0 HE ARG A 125 15.844 -4.277 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.981 -6.601 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.012 -6.659 -13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.689 -4.224 -12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.155 -5.317 -13.782 1.00 0.00 H new ATOM 630 N ILE A 126 20.696 -2.772 -6.502 1.00 0.00 N ATOM 631 CA ILE A 126 21.691 -2.600 -5.449 1.00 0.00 C ATOM 632 C ILE A 126 22.557 -3.855 -5.306 1.00 0.00 C ATOM 633 O ILE A 126 22.308 -4.871 -5.962 1.00 0.00 O ATOM 634 CB ILE A 126 20.979 -2.277 -4.122 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.002 -3.411 -3.756 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.214 -0.954 -4.260 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.538 -3.255 -2.306 1.00 0.00 C ATOM 0 H ILE A 126 19.732 -2.762 -6.168 1.00 0.00 H new ATOM 0 HA ILE A 126 22.349 -1.773 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 126 21.722 -2.184 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.142 -3.392 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.488 -4.378 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.710 -0.725 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.913 -0.153 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.475 -1.042 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.848 -4.061 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.401 -3.297 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.034 -2.296 -2.186 1.00 0.00 H new ATOM 649 N GLY A 127 23.577 -3.776 -4.433 1.00 0.00 N ATOM 650 CA GLY A 127 24.480 -4.890 -4.175 1.00 0.00 C ATOM 651 C GLY A 127 23.758 -5.970 -3.375 1.00 0.00 C ATOM 652 O GLY A 127 24.023 -6.157 -2.187 1.00 0.00 O ATOM 0 H GLY A 127 23.790 -2.937 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.840 -5.303 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.354 -4.541 -3.625 1.00 0.00 H new ATOM 656 N LYS A 128 22.842 -6.673 -4.040 1.00 0.00 N ATOM 657 CA LYS A 128 22.060 -7.735 -3.433 1.00 0.00 C ATOM 658 C LYS A 128 21.221 -8.389 -4.523 1.00 0.00 C ATOM 659 O LYS A 128 21.221 -9.603 -4.659 1.00 0.00 O ATOM 660 CB LYS A 128 21.168 -7.164 -2.317 1.00 0.00 C ATOM 661 CG LYS A 128 21.415 -7.934 -1.014 1.00 0.00 C ATOM 662 CD LYS A 128 20.789 -7.181 0.166 1.00 0.00 C ATOM 663 CE LYS A 128 21.870 -6.410 0.936 1.00 0.00 C ATOM 664 NZ LYS A 128 22.548 -5.424 0.073 1.00 0.00 N ATOM 0 H LYS A 128 22.624 -6.515 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 128 22.715 -8.480 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.383 -6.105 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.119 -7.240 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.987 -8.934 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 128 22.486 -8.056 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.028 -6.490 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.290 -7.885 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 128 21.419 -5.901 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 128 22.603 -7.110 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 23.175 -4.829 0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 23.110 -5.921 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.838 -4.826 -0.395 1.00 0.00 H new ATOM 678 N GLN A 129 20.518 -7.565 -5.308 1.00 0.00 N ATOM 679 CA GLN A 129 19.702 -8.048 -6.410 1.00 0.00 C ATOM 680 C GLN A 129 20.601 -8.729 -7.443 1.00 0.00 C ATOM 681 O GLN A 129 20.341 -9.860 -7.851 1.00 0.00 O ATOM 682 CB GLN A 129 18.949 -6.861 -7.032 1.00 0.00 C ATOM 683 CG GLN A 129 17.451 -6.978 -6.743 1.00 0.00 C ATOM 684 CD GLN A 129 16.785 -7.913 -7.745 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.924 -9.128 -7.655 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.066 -7.343 -8.710 1.00 0.00 N ATOM 0 H GLN A 129 20.503 -6.552 -5.192 1.00 0.00 H new ATOM 0 HA GLN A 129 18.973 -8.776 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.333 -5.925 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.119 -6.837 -8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.298 -7.352 -5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 129 16.987 -5.993 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 129 15.977 -6.328 -8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.605 -7.922 -9.412 1.00 0.00 H new ATOM 695 N CYS A 130 21.665 -8.030 -7.857 1.00 0.00 N ATOM 696 CA CYS A 130 22.627 -8.561 -8.817 1.00 0.00 C ATOM 697 C CYS A 130 23.216 -9.869 -8.291 1.00 0.00 C ATOM 698 O CYS A 130 23.319 -10.848 -9.029 1.00 0.00 O ATOM 699 CB CYS A 130 23.743 -7.536 -9.045 1.00 0.00 C ATOM 700 SG CYS A 130 23.045 -6.052 -9.809 1.00 0.00 S ATOM 0 H CYS A 130 21.878 -7.086 -7.535 1.00 0.00 H new ATOM 0 HA CYS A 130 22.123 -8.757 -9.763 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.218 -7.282 -8.098 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.516 -7.960 -9.686 1.00 0.00 H new ATOM 0 HG CYS A 130 22.852 -5.145 -8.898 1.00 0.00 H new ATOM 706 N ARG A 131 23.603 -9.878 -7.010 1.00 0.00 N ATOM 707 CA ARG A 131 24.182 -11.054 -6.384 1.00 0.00 C ATOM 708 C ARG A 131 23.192 -12.213 -6.447 1.00 0.00 C ATOM 709 O ARG A 131 23.516 -13.276 -6.959 1.00 0.00 O ATOM 710 CB ARG A 131 24.557 -10.716 -4.931 1.00 0.00 C ATOM 711 CG ARG A 131 25.279 -11.902 -4.275 1.00 0.00 C ATOM 712 CD ARG A 131 24.293 -12.723 -3.436 1.00 0.00 C ATOM 713 NE ARG A 131 24.910 -13.971 -2.972 1.00 0.00 N ATOM 714 CZ ARG A 131 24.200 -15.000 -2.474 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.868 -14.905 -2.352 1.00 0.00 N ATOM 716 NH2 ARG A 131 24.826 -16.123 -2.100 1.00 0.00 N ATOM 0 H ARG A 131 23.521 -9.073 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 131 25.085 -11.357 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.198 -9.835 -4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.659 -10.470 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.729 -12.533 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.091 -11.539 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.962 -12.136 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.407 -12.950 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 131 25.924 -14.063 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.389 -14.051 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.333 -15.687 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.839 -16.197 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.290 -16.904 -1.722 1.00 0.00 H new ATOM 730 N GLU A 132 21.983 -12.000 -5.919 1.00 0.00 N ATOM 731 CA GLU A 132 20.951 -13.022 -5.889 1.00 0.00 C ATOM 732 C GLU A 132 20.721 -13.592 -7.283 1.00 0.00 C ATOM 733 O GLU A 132 20.624 -14.806 -7.440 1.00 0.00 O ATOM 734 CB GLU A 132 19.663 -12.416 -5.326 1.00 0.00 C ATOM 735 CG GLU A 132 19.794 -12.257 -3.806 1.00 0.00 C ATOM 736 CD GLU A 132 18.854 -11.175 -3.283 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.733 -11.083 -3.828 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.277 -10.460 -2.348 1.00 0.00 O ATOM 0 H GLU A 132 21.700 -11.113 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 132 21.270 -13.843 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.472 -11.448 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.813 -13.056 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.569 -13.205 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.823 -12.003 -3.551 1.00 0.00 H new ATOM 745 N ARG A 133 20.636 -12.728 -8.299 1.00 0.00 N ATOM 746 CA ARG A 133 20.419 -13.186 -9.661 1.00 0.00 C ATOM 747 C ARG A 133 21.476 -14.222 -10.034 1.00 0.00 C ATOM 748 O ARG A 133 21.159 -15.227 -10.670 1.00 0.00 O ATOM 749 CB ARG A 133 20.468 -11.994 -10.629 1.00 0.00 C ATOM 750 CG ARG A 133 20.050 -12.423 -12.048 1.00 0.00 C ATOM 751 CD ARG A 133 18.633 -13.008 -12.039 1.00 0.00 C ATOM 752 NE ARG A 133 18.119 -13.162 -13.403 1.00 0.00 N ATOM 753 CZ ARG A 133 16.980 -13.816 -13.692 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.215 -14.302 -12.710 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.608 -13.979 -14.964 1.00 0.00 N ATOM 0 H ARG A 133 20.714 -11.716 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 133 19.435 -13.650 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.806 -11.204 -10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.476 -11.580 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.091 -11.566 -12.720 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.752 -13.163 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.639 -13.976 -11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.971 -12.357 -11.468 1.00 0.00 H new ATOM 0 HE ARG A 133 18.651 -12.753 -14.171 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.494 -14.178 -11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.352 -14.797 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.188 -13.607 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.744 -14.475 -15.183 1.00 0.00 H new ATOM 769 N TRP A 134 22.736 -13.973 -9.641 1.00 0.00 N ATOM 770 CA TRP A 134 23.835 -14.864 -9.974 1.00 0.00 C ATOM 771 C TRP A 134 24.126 -15.865 -8.847 1.00 0.00 C ATOM 772 O TRP A 134 25.185 -16.495 -8.849 1.00 0.00 O ATOM 773 CB TRP A 134 25.083 -14.040 -10.287 1.00 0.00 C ATOM 774 CG TRP A 134 26.020 -14.747 -11.203 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.178 -15.335 -10.858 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.859 -15.008 -12.622 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.746 -15.963 -11.938 1.00 0.00 N ATOM 778 CE2 TRP A 134 26.960 -15.801 -13.066 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.881 -14.671 -13.583 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.070 -16.253 -14.381 1.00 0.00 C ATOM 781 CZ3 TRP A 134 24.991 -15.114 -14.909 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.077 -15.913 -15.309 1.00 0.00 C ATOM 0 H TRP A 134 23.009 -13.158 -9.092 1.00 0.00 H new ATOM 0 HA TRP A 134 23.546 -15.443 -10.851 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.785 -13.093 -10.737 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.600 -13.802 -9.357 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.604 -15.316 -9.866 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.626 -16.478 -11.913 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.036 -14.064 -13.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 27.912 -16.859 -14.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.235 -14.839 -15.630 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.145 -16.263 -16.328 1.00 0.00 H new ATOM 793 N HIS A 135 23.203 -16.024 -7.890 1.00 0.00 N ATOM 794 CA HIS A 135 23.392 -16.966 -6.791 1.00 0.00 C ATOM 795 C HIS A 135 22.060 -17.635 -6.439 1.00 0.00 C ATOM 796 O HIS A 135 21.763 -17.870 -5.269 1.00 0.00 O ATOM 797 CB HIS A 135 24.003 -16.240 -5.586 1.00 0.00 C ATOM 798 CG HIS A 135 25.482 -15.986 -5.760 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.450 -16.891 -5.338 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.193 -14.948 -6.313 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.648 -16.355 -5.649 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.560 -15.166 -6.246 1.00 0.00 N ATOM 0 H HIS A 135 22.322 -15.512 -7.859 1.00 0.00 H new ATOM 0 HA HIS A 135 24.084 -17.752 -7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.488 -15.291 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.842 -16.834 -4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.741 -14.069 -6.747 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.588 -16.842 -5.435 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.315 -14.564 -6.574 1.00 0.00 H new ATOM 810 N ASN A 136 21.273 -17.955 -7.472 1.00 0.00 N ATOM 811 CA ASN A 136 20.007 -18.662 -7.314 1.00 0.00 C ATOM 812 C ASN A 136 19.796 -19.538 -8.536 1.00 0.00 C ATOM 813 O ASN A 136 19.989 -20.749 -8.480 1.00 0.00 O ATOM 814 CB ASN A 136 18.850 -17.668 -7.169 1.00 0.00 C ATOM 815 CG ASN A 136 18.700 -17.206 -5.729 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.278 -17.974 -4.869 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.041 -15.953 -5.468 1.00 0.00 N ATOM 0 H ASN A 136 21.500 -17.729 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 136 20.036 -19.275 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.024 -16.807 -7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.923 -18.134 -7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.958 -15.589 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.387 -15.352 -6.216 1.00 0.00 H new ATOM 824 N HIS A 137 19.401 -18.906 -9.641 1.00 0.00 N ATOM 825 CA HIS A 137 19.175 -19.608 -10.903 1.00 0.00 C ATOM 826 C HIS A 137 20.454 -19.560 -11.743 1.00 0.00 C ATOM 827 O HIS A 137 21.029 -20.603 -12.050 1.00 0.00 O ATOM 828 CB HIS A 137 17.980 -18.996 -11.661 1.00 0.00 C ATOM 829 CG HIS A 137 17.429 -17.750 -11.016 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.233 -17.734 -10.308 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.892 -16.464 -10.954 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.054 -16.470 -9.876 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.035 -15.641 -10.238 1.00 0.00 N ATOM 0 H HIS A 137 19.230 -17.901 -9.687 1.00 0.00 H new ATOM 0 HA HIS A 137 18.928 -20.650 -10.700 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.289 -18.761 -12.680 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.186 -19.740 -11.732 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.611 -18.526 -10.147 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.813 -16.130 -11.408 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.200 -16.158 -9.293 1.00 0.00 H new ATOM 841 N LEU A 138 20.904 -18.351 -12.110 1.00 0.00 N ATOM 842 CA LEU A 138 22.127 -18.192 -12.887 1.00 0.00 C ATOM 843 C LEU A 138 23.328 -18.273 -11.947 1.00 0.00 C ATOM 844 O LEU A 138 23.207 -17.961 -10.764 1.00 0.00 O ATOM 845 CB LEU A 138 22.121 -16.847 -13.629 1.00 0.00 C ATOM 846 CG LEU A 138 21.136 -16.880 -14.809 1.00 0.00 C ATOM 847 CD1 LEU A 138 19.791 -16.287 -14.384 1.00 0.00 C ATOM 848 CD2 LEU A 138 21.699 -16.056 -15.969 1.00 0.00 C ATOM 0 H LEU A 138 20.436 -17.475 -11.878 1.00 0.00 H new ATOM 0 HA LEU A 138 22.190 -18.988 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.845 -16.048 -12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.124 -16.622 -13.992 1.00 0.00 H new ATOM 0 HG LEU A 138 20.995 -17.914 -15.123 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.099 -16.314 -15.226 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.381 -16.869 -13.559 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.933 -15.255 -14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.000 -16.080 -16.805 1.00 0.00 H new ATOM 0 HD22 LEU A 138 21.844 -15.025 -15.646 1.00 0.00 H new ATOM 0 HD23 LEU A 138 22.655 -16.475 -16.283 1.00 0.00 H new