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 -120:sc= 0.164 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -0.151 K(o=0.013,f=-1.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= -0.105 (180deg=-0.144) USER MOD Single : A 101 GLN : amide:sc= 0.279 X(o=0.28,f=-0.17) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 131:sc= 1.26 (180deg=0.835) 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+ 173:sc= 0 (180deg=-0.0185) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.6!) USER MOD Single : A 130 CYS SG : rot 81:sc= 0.0555 USER MOD Single : A 135 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.0049) USER MOD Single : A 136 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.25) USER MOD Single : A 137 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.103 -10.092 -13.416 1.00 0.00 N ATOM 85 CA TRP A 95 14.173 -9.560 -14.256 1.00 0.00 C ATOM 86 C TRP A 95 13.832 -9.718 -15.743 1.00 0.00 C ATOM 87 O TRP A 95 12.748 -10.184 -16.096 1.00 0.00 O ATOM 88 CB TRP A 95 15.493 -10.259 -13.909 1.00 0.00 C ATOM 89 CG TRP A 95 16.228 -9.679 -12.746 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.755 -9.544 -11.495 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.584 -9.157 -12.704 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.702 -8.982 -10.669 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.865 -8.719 -11.370 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.611 -9.012 -13.657 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.098 -8.165 -11.010 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.849 -8.453 -13.303 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.095 -8.029 -11.982 1.00 0.00 C ATOM 0 HA TRP A 95 14.282 -8.493 -14.062 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.287 -11.309 -13.702 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.144 -10.228 -14.783 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.764 -9.837 -11.180 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.565 -8.787 -9.677 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.444 -9.335 -14.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.278 -7.846 -9.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.621 -8.347 -14.051 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.051 -7.600 -11.720 1.00 0.00 H new ATOM 108 N THR A 96 14.769 -9.315 -16.612 1.00 0.00 N ATOM 109 CA THR A 96 14.593 -9.401 -18.053 1.00 0.00 C ATOM 110 C THR A 96 15.876 -9.957 -18.672 1.00 0.00 C ATOM 111 O THR A 96 16.947 -9.847 -18.080 1.00 0.00 O ATOM 112 CB THR A 96 14.251 -8.011 -18.630 1.00 0.00 C ATOM 113 OG1 THR A 96 15.440 -7.307 -18.927 1.00 0.00 O ATOM 114 CG2 THR A 96 13.420 -7.202 -17.621 1.00 0.00 C ATOM 0 H THR A 96 15.666 -8.922 -16.328 1.00 0.00 H new ATOM 0 HA THR A 96 13.765 -10.069 -18.291 1.00 0.00 H new ATOM 0 HB THR A 96 13.670 -8.149 -19.542 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.216 -6.427 -19.294 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.187 -6.224 -18.043 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.494 -7.734 -17.403 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.989 -7.074 -16.700 1.00 0.00 H new ATOM 122 N LYS A 97 15.763 -10.557 -19.862 1.00 0.00 N ATOM 123 CA LYS A 97 16.906 -11.149 -20.548 1.00 0.00 C ATOM 124 C LYS A 97 18.012 -10.106 -20.746 1.00 0.00 C ATOM 125 O LYS A 97 19.190 -10.416 -20.591 1.00 0.00 O ATOM 126 CB LYS A 97 16.438 -11.715 -21.897 1.00 0.00 C ATOM 127 CG LYS A 97 17.515 -12.635 -22.495 1.00 0.00 C ATOM 128 CD LYS A 97 17.475 -14.017 -21.821 1.00 0.00 C ATOM 129 CE LYS A 97 16.720 -15.019 -22.706 1.00 0.00 C ATOM 130 NZ LYS A 97 15.307 -14.633 -22.875 1.00 0.00 N ATOM 0 H LYS A 97 14.882 -10.643 -20.369 1.00 0.00 H new ATOM 0 HA LYS A 97 17.319 -11.957 -19.944 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.510 -12.270 -21.763 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.224 -10.898 -22.587 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.356 -12.742 -23.568 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.500 -12.187 -22.362 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.490 -14.372 -21.642 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.988 -13.941 -20.849 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.201 -15.079 -23.682 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.776 -16.013 -22.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.795 -15.396 -23.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.878 -14.468 -21.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.250 -13.762 -23.441 1.00 0.00 H new ATOM 144 N GLU A 98 17.627 -8.874 -21.093 1.00 0.00 N ATOM 145 CA GLU A 98 18.580 -7.798 -21.328 1.00 0.00 C ATOM 146 C GLU A 98 19.295 -7.429 -20.026 1.00 0.00 C ATOM 147 O GLU A 98 20.519 -7.295 -20.003 1.00 0.00 O ATOM 148 CB GLU A 98 17.833 -6.589 -21.902 1.00 0.00 C ATOM 149 CG GLU A 98 18.830 -5.494 -22.292 1.00 0.00 C ATOM 150 CD GLU A 98 18.117 -4.324 -22.958 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.126 -3.849 -22.360 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.575 -3.927 -24.050 1.00 0.00 O ATOM 0 H GLU A 98 16.652 -8.601 -21.217 1.00 0.00 H new ATOM 0 HA GLU A 98 19.336 -8.124 -22.042 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.252 -6.890 -22.774 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.127 -6.204 -21.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.359 -5.146 -21.405 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.579 -5.903 -22.970 1.00 0.00 H new ATOM 159 N GLU A 99 18.529 -7.262 -18.943 1.00 0.00 N ATOM 160 CA GLU A 99 19.093 -6.894 -17.653 1.00 0.00 C ATOM 161 C GLU A 99 20.033 -8.003 -17.168 1.00 0.00 C ATOM 162 O GLU A 99 21.091 -7.719 -16.608 1.00 0.00 O ATOM 163 CB GLU A 99 17.952 -6.640 -16.656 1.00 0.00 C ATOM 164 CG GLU A 99 18.009 -5.188 -16.156 1.00 0.00 C ATOM 165 CD GLU A 99 16.655 -4.724 -15.628 1.00 0.00 C ATOM 166 OE1 GLU A 99 15.772 -5.598 -15.446 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.517 -3.502 -15.410 1.00 0.00 O ATOM 0 H GLU A 99 17.516 -7.378 -18.941 1.00 0.00 H new ATOM 0 HA GLU A 99 19.677 -5.978 -17.742 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.991 -6.832 -17.133 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.033 -7.327 -15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.757 -5.103 -15.367 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.327 -4.535 -16.968 1.00 0.00 H new ATOM 174 N ASP A 100 19.652 -9.265 -17.395 1.00 0.00 N ATOM 175 CA ASP A 100 20.482 -10.401 -17.019 1.00 0.00 C ATOM 176 C ASP A 100 21.767 -10.389 -17.848 1.00 0.00 C ATOM 177 O ASP A 100 22.853 -10.589 -17.310 1.00 0.00 O ATOM 178 CB ASP A 100 19.706 -11.705 -17.243 1.00 0.00 C ATOM 179 CG ASP A 100 18.953 -12.112 -15.992 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.629 -12.517 -15.024 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.710 -12.015 -16.022 1.00 0.00 O ATOM 0 H ASP A 100 18.770 -9.520 -17.839 1.00 0.00 H new ATOM 0 HA ASP A 100 20.745 -10.332 -15.963 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.005 -11.578 -18.068 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.396 -12.498 -17.530 1.00 0.00 H new ATOM 186 N GLN A 101 21.637 -10.152 -19.162 1.00 0.00 N ATOM 187 CA GLN A 101 22.780 -10.117 -20.066 1.00 0.00 C ATOM 188 C GLN A 101 23.830 -9.125 -19.558 1.00 0.00 C ATOM 189 O GLN A 101 25.028 -9.390 -19.656 1.00 0.00 O ATOM 190 CB GLN A 101 22.300 -9.742 -21.477 1.00 0.00 C ATOM 191 CG GLN A 101 23.475 -9.730 -22.465 1.00 0.00 C ATOM 192 CD GLN A 101 24.135 -11.103 -22.563 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.683 -11.958 -23.319 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.206 -11.312 -21.797 1.00 0.00 N ATOM 0 H GLN A 101 20.741 -9.981 -19.618 1.00 0.00 H new ATOM 0 HA GLN A 101 23.246 -11.102 -20.104 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.545 -10.454 -21.811 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.826 -8.761 -21.456 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.121 -9.424 -23.449 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.212 -8.992 -22.147 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.546 -10.572 -21.183 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.685 -12.212 -21.825 1.00 0.00 H new ATOM 203 N ARG A 102 23.386 -7.986 -19.014 1.00 0.00 N ATOM 204 CA ARG A 102 24.300 -6.985 -18.486 1.00 0.00 C ATOM 205 C ARG A 102 25.120 -7.578 -17.339 1.00 0.00 C ATOM 206 O ARG A 102 26.336 -7.413 -17.309 1.00 0.00 O ATOM 207 CB ARG A 102 23.511 -5.753 -18.025 1.00 0.00 C ATOM 208 CG ARG A 102 23.226 -4.838 -19.227 1.00 0.00 C ATOM 209 CD ARG A 102 23.963 -3.497 -19.072 1.00 0.00 C ATOM 210 NE ARG A 102 25.369 -3.678 -18.664 1.00 0.00 N ATOM 211 CZ ARG A 102 26.342 -4.099 -19.494 1.00 0.00 C ATOM 212 NH1 ARG A 102 26.058 -4.454 -20.753 1.00 0.00 N ATOM 213 NH2 ARG A 102 27.605 -4.162 -19.052 1.00 0.00 N ATOM 0 H ARG A 102 22.399 -7.741 -18.931 1.00 0.00 H new ATOM 0 HA ARG A 102 24.991 -6.674 -19.269 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.574 -6.062 -17.561 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.077 -5.209 -17.268 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.542 -5.329 -20.148 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.154 -4.662 -19.311 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.928 -2.954 -20.016 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.448 -2.884 -18.332 1.00 0.00 H new ATOM 0 HE ARG A 102 25.619 -3.472 -17.697 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.097 -4.407 -21.092 1.00 0.00 H new ATOM 0 HH12 ARG A 102 26.803 -4.772 -21.374 1.00 0.00 H new ATOM 0 HH21 ARG A 102 27.824 -3.892 -18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 102 28.348 -4.480 -19.674 1.00 0.00 H new ATOM 227 N VAL A 103 24.466 -8.272 -16.398 1.00 0.00 N ATOM 228 CA VAL A 103 25.172 -8.883 -15.275 1.00 0.00 C ATOM 229 C VAL A 103 26.134 -9.949 -15.797 1.00 0.00 C ATOM 230 O VAL A 103 27.270 -10.028 -15.339 1.00 0.00 O ATOM 231 CB VAL A 103 24.173 -9.483 -14.277 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.930 -10.163 -13.131 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.300 -8.372 -13.699 1.00 0.00 C ATOM 0 H VAL A 103 23.457 -8.421 -16.395 1.00 0.00 H new ATOM 0 HA VAL A 103 25.747 -8.120 -14.751 1.00 0.00 H new ATOM 0 HB VAL A 103 23.552 -10.215 -14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.216 -10.588 -12.425 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.560 -10.957 -13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.553 -9.429 -12.620 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.590 -8.799 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.929 -7.643 -13.188 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.756 -7.880 -14.505 1.00 0.00 H new ATOM 243 N ILE A 104 25.680 -10.766 -16.759 1.00 0.00 N ATOM 244 CA ILE A 104 26.519 -11.803 -17.346 1.00 0.00 C ATOM 245 C ILE A 104 27.796 -11.167 -17.892 1.00 0.00 C ATOM 246 O ILE A 104 28.899 -11.636 -17.605 1.00 0.00 O ATOM 247 CB ILE A 104 25.738 -12.539 -18.453 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.638 -13.412 -17.826 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.696 -13.423 -19.268 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.743 -14.008 -18.916 1.00 0.00 C ATOM 0 H ILE A 104 24.736 -10.723 -17.142 1.00 0.00 H new ATOM 0 HA ILE A 104 26.796 -12.536 -16.588 1.00 0.00 H new ATOM 0 HB ILE A 104 25.279 -11.802 -19.112 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.090 -14.212 -17.240 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.038 -12.814 -17.140 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.138 -13.940 -20.049 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.466 -12.801 -19.724 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.164 -14.155 -18.610 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.970 -14.623 -18.456 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.276 -13.203 -19.484 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.345 -14.623 -19.585 1.00 0.00 H new ATOM 262 N GLU A 105 27.642 -10.094 -18.673 1.00 0.00 N ATOM 263 CA GLU A 105 28.770 -9.383 -19.246 1.00 0.00 C ATOM 264 C GLU A 105 29.690 -8.884 -18.130 1.00 0.00 C ATOM 265 O GLU A 105 30.898 -9.083 -18.188 1.00 0.00 O ATOM 266 CB GLU A 105 28.245 -8.206 -20.079 1.00 0.00 C ATOM 267 CG GLU A 105 29.397 -7.530 -20.836 1.00 0.00 C ATOM 268 CD GLU A 105 29.085 -6.062 -21.087 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.153 -5.803 -21.875 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.782 -5.217 -20.476 1.00 0.00 O ATOM 0 H GLU A 105 26.734 -9.702 -18.920 1.00 0.00 H new ATOM 0 HA GLU A 105 29.343 -10.051 -19.889 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.494 -8.559 -20.786 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.755 -7.482 -19.428 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.319 -7.618 -20.261 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.564 -8.039 -21.785 1.00 0.00 H new ATOM 277 N LEU A 106 29.111 -8.226 -17.121 1.00 0.00 N ATOM 278 CA LEU A 106 29.877 -7.647 -16.025 1.00 0.00 C ATOM 279 C LEU A 106 30.667 -8.721 -15.263 1.00 0.00 C ATOM 280 O LEU A 106 31.811 -8.481 -14.898 1.00 0.00 O ATOM 281 CB LEU A 106 28.930 -6.887 -15.088 1.00 0.00 C ATOM 282 CG LEU A 106 28.393 -5.625 -15.791 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.137 -5.126 -15.072 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.452 -4.521 -15.768 1.00 0.00 C ATOM 0 H LEU A 106 28.104 -8.083 -17.045 1.00 0.00 H new ATOM 0 HA LEU A 106 30.606 -6.949 -16.437 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.101 -7.531 -14.795 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.455 -6.609 -14.174 1.00 0.00 H new ATOM 0 HG LEU A 106 28.151 -5.876 -16.824 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.761 -4.234 -15.573 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.373 -5.903 -15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.381 -4.886 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.063 -3.633 -16.267 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.701 -4.277 -14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.348 -4.865 -16.285 1.00 0.00 H new ATOM 296 N VAL A 107 30.077 -9.899 -15.020 1.00 0.00 N ATOM 297 CA VAL A 107 30.773 -10.962 -14.304 1.00 0.00 C ATOM 298 C VAL A 107 31.891 -11.522 -15.182 1.00 0.00 C ATOM 299 O VAL A 107 32.986 -11.777 -14.696 1.00 0.00 O ATOM 300 CB VAL A 107 29.776 -12.057 -13.891 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.531 -13.326 -13.475 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.949 -11.561 -12.702 1.00 0.00 C ATOM 0 H VAL A 107 29.127 -10.133 -15.308 1.00 0.00 H new ATOM 0 HA VAL A 107 31.222 -10.563 -13.395 1.00 0.00 H new ATOM 0 HB VAL A 107 29.125 -12.284 -14.736 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.816 -14.096 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.129 -13.684 -14.313 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.185 -13.101 -12.632 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.240 -12.333 -12.404 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.612 -11.336 -11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.406 -10.660 -12.987 1.00 0.00 H new ATOM 312 N GLN A 108 31.621 -11.705 -16.476 1.00 0.00 N ATOM 313 CA GLN A 108 32.624 -12.204 -17.405 1.00 0.00 C ATOM 314 C GLN A 108 33.777 -11.197 -17.511 1.00 0.00 C ATOM 315 O GLN A 108 34.935 -11.586 -17.650 1.00 0.00 O ATOM 316 CB GLN A 108 31.968 -12.434 -18.772 1.00 0.00 C ATOM 317 CG GLN A 108 32.978 -13.050 -19.746 1.00 0.00 C ATOM 318 CD GLN A 108 32.331 -13.324 -21.099 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.579 -12.606 -22.064 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.501 -14.365 -21.170 1.00 0.00 N ATOM 0 H GLN A 108 30.713 -11.513 -16.900 1.00 0.00 H new ATOM 0 HA GLN A 108 33.031 -13.149 -17.046 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.107 -13.094 -18.664 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.598 -11.489 -19.170 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.825 -12.375 -19.873 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.370 -13.979 -19.331 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.325 -14.934 -20.342 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.042 -14.592 -22.052 1.00 0.00 H new ATOM 329 N LYS A 109 33.445 -9.903 -17.449 1.00 0.00 N ATOM 330 CA LYS A 109 34.419 -8.831 -17.567 1.00 0.00 C ATOM 331 C LYS A 109 35.260 -8.715 -16.290 1.00 0.00 C ATOM 332 O LYS A 109 36.483 -8.826 -16.342 1.00 0.00 O ATOM 333 CB LYS A 109 33.660 -7.526 -17.849 1.00 0.00 C ATOM 334 CG LYS A 109 34.621 -6.447 -18.356 1.00 0.00 C ATOM 335 CD LYS A 109 33.814 -5.271 -18.926 1.00 0.00 C ATOM 336 CE LYS A 109 33.405 -5.570 -20.375 1.00 0.00 C ATOM 337 NZ LYS A 109 32.387 -4.615 -20.852 1.00 0.00 N ATOM 0 H LYS A 109 32.488 -9.577 -17.315 1.00 0.00 H new ATOM 0 HA LYS A 109 35.109 -9.041 -18.385 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.880 -7.704 -18.590 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.165 -7.183 -16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.261 -6.103 -17.543 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.275 -6.859 -19.124 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.927 -5.099 -18.317 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.409 -4.358 -18.888 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.282 -5.522 -21.020 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.014 -6.585 -20.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.672 -4.238 -21.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.471 -5.100 -20.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.299 -3.833 -20.172 1.00 0.00 H new ATOM 351 N TYR A 110 34.600 -8.481 -15.149 1.00 0.00 N ATOM 352 CA TYR A 110 35.278 -8.315 -13.871 1.00 0.00 C ATOM 353 C TYR A 110 35.541 -9.673 -13.228 1.00 0.00 C ATOM 354 O TYR A 110 36.693 -10.096 -13.119 1.00 0.00 O ATOM 355 CB TYR A 110 34.411 -7.442 -12.953 1.00 0.00 C ATOM 356 CG TYR A 110 34.279 -6.014 -13.435 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.395 -5.157 -13.414 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.042 -5.540 -13.906 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.272 -3.832 -13.865 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.922 -4.218 -14.359 1.00 0.00 C ATOM 361 CZ TYR A 110 34.035 -3.363 -14.338 1.00 0.00 C ATOM 362 OH TYR A 110 33.914 -2.079 -14.780 1.00 0.00 O ATOM 0 H TYR A 110 33.585 -8.403 -15.092 1.00 0.00 H new ATOM 0 HA TYR A 110 36.240 -7.827 -14.030 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.418 -7.885 -12.874 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.841 -7.442 -11.951 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.346 -5.518 -13.051 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.183 -6.195 -13.919 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.128 -3.174 -13.848 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.972 -3.857 -14.724 1.00 0.00 H new ATOM 0 HH TYR A 110 33.246 -1.608 -14.239 1.00 0.00 H new ATOM 372 N GLY A 111 34.474 -10.345 -12.790 1.00 0.00 N ATOM 373 CA GLY A 111 34.578 -11.638 -12.133 1.00 0.00 C ATOM 374 C GLY A 111 33.472 -11.772 -11.088 1.00 0.00 C ATOM 375 O GLY A 111 32.696 -10.838 -10.887 1.00 0.00 O ATOM 0 H GLY A 111 33.517 -10.004 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.496 -12.438 -12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.554 -11.739 -11.659 1.00 0.00 H new ATOM 379 N PRO A 112 33.401 -12.934 -10.414 1.00 0.00 N ATOM 380 CA PRO A 112 32.424 -13.181 -9.375 1.00 0.00 C ATOM 381 C PRO A 112 32.628 -12.203 -8.215 1.00 0.00 C ATOM 382 O PRO A 112 33.669 -11.547 -8.129 1.00 0.00 O ATOM 383 CB PRO A 112 32.642 -14.631 -8.931 1.00 0.00 C ATOM 384 CG PRO A 112 33.894 -15.134 -9.660 1.00 0.00 C ATOM 385 CD PRO A 112 34.292 -14.045 -10.656 1.00 0.00 C ATOM 0 HA PRO A 112 31.404 -13.034 -9.729 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.774 -14.689 -7.851 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.777 -15.246 -9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.702 -15.326 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.691 -16.073 -10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.331 -13.749 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.199 -14.402 -11.682 1.00 0.00 H new ATOM 393 N LYS A 113 31.627 -12.107 -7.327 1.00 0.00 N ATOM 394 CA LYS A 113 31.671 -11.192 -6.190 1.00 0.00 C ATOM 395 C LYS A 113 31.765 -9.752 -6.707 1.00 0.00 C ATOM 396 O LYS A 113 31.349 -9.475 -7.829 1.00 0.00 O ATOM 397 CB LYS A 113 32.851 -11.545 -5.263 1.00 0.00 C ATOM 398 CG LYS A 113 32.816 -13.041 -4.923 1.00 0.00 C ATOM 399 CD LYS A 113 33.768 -13.340 -3.757 1.00 0.00 C ATOM 400 CE LYS A 113 35.222 -13.138 -4.199 1.00 0.00 C ATOM 401 NZ LYS A 113 36.159 -13.573 -3.148 1.00 0.00 N ATOM 0 H LYS A 113 30.772 -12.660 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 113 30.759 -11.288 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.794 -11.295 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.797 -10.954 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.801 -13.338 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.103 -13.627 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.541 -12.686 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.623 -14.364 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.409 -13.701 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 113 35.393 -12.087 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 37.136 -13.426 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.993 -13.018 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 36.010 -14.582 -2.946 1.00 0.00 H new ATOM 415 N ARG A 114 32.310 -8.836 -5.890 1.00 0.00 N ATOM 416 CA ARG A 114 32.455 -7.432 -6.275 1.00 0.00 C ATOM 417 C ARG A 114 31.098 -6.875 -6.715 1.00 0.00 C ATOM 418 O ARG A 114 31.014 -6.109 -7.676 1.00 0.00 O ATOM 419 CB ARG A 114 33.485 -7.304 -7.413 1.00 0.00 C ATOM 420 CG ARG A 114 34.735 -8.139 -7.107 1.00 0.00 C ATOM 421 CD ARG A 114 35.722 -8.026 -8.272 1.00 0.00 C ATOM 422 NE ARG A 114 36.501 -9.266 -8.415 1.00 0.00 N ATOM 423 CZ ARG A 114 37.009 -9.685 -9.588 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.018 -8.869 -10.649 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.507 -10.924 -9.696 1.00 0.00 N ATOM 0 H ARG A 114 32.658 -9.049 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 114 32.810 -6.857 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.041 -7.635 -8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.763 -6.258 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.202 -7.790 -6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.459 -9.182 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.180 -7.822 -9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.395 -7.185 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 114 36.664 -9.835 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.639 -7.925 -10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.404 -9.191 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 114 37.501 -11.548 -8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.892 -11.243 -10.585 1.00 0.00 H new ATOM 439 N TRP A 115 30.036 -7.272 -6.010 1.00 0.00 N ATOM 440 CA TRP A 115 28.684 -6.865 -6.345 1.00 0.00 C ATOM 441 C TRP A 115 28.502 -5.361 -6.170 1.00 0.00 C ATOM 442 O TRP A 115 27.640 -4.772 -6.812 1.00 0.00 O ATOM 443 CB TRP A 115 27.707 -7.669 -5.495 1.00 0.00 C ATOM 444 CG TRP A 115 27.794 -9.137 -5.759 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.178 -10.078 -4.881 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.543 -9.850 -7.006 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.191 -11.322 -5.469 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.811 -11.239 -6.797 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.123 -9.467 -8.301 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.683 -12.186 -7.816 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.988 -10.421 -9.329 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.277 -11.770 -9.090 1.00 0.00 C ATOM 0 H TRP A 115 30.096 -7.882 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 115 28.485 -7.072 -7.396 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.907 -7.480 -4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.691 -7.327 -5.693 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.441 -9.884 -3.852 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.446 -12.187 -4.992 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.903 -8.429 -8.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.895 -13.227 -7.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.659 -10.109 -10.309 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.187 -12.491 -9.889 1.00 0.00 H new ATOM 463 N SER A 116 29.318 -4.732 -5.319 1.00 0.00 N ATOM 464 CA SER A 116 29.259 -3.292 -5.133 1.00 0.00 C ATOM 465 C SER A 116 29.676 -2.603 -6.435 1.00 0.00 C ATOM 466 O SER A 116 29.057 -1.626 -6.852 1.00 0.00 O ATOM 467 CB SER A 116 30.179 -2.887 -3.978 1.00 0.00 C ATOM 468 OG SER A 116 30.027 -1.508 -3.710 1.00 0.00 O ATOM 0 H SER A 116 30.024 -5.202 -4.752 1.00 0.00 H new ATOM 0 HA SER A 116 28.243 -2.985 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 116 29.939 -3.469 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.216 -3.106 -4.232 1.00 0.00 H new ATOM 0 HG SER A 116 30.616 -1.252 -2.970 1.00 0.00 H new ATOM 474 N VAL A 117 30.732 -3.125 -7.076 1.00 0.00 N ATOM 475 CA VAL A 117 31.236 -2.576 -8.325 1.00 0.00 C ATOM 476 C VAL A 117 30.255 -2.889 -9.455 1.00 0.00 C ATOM 477 O VAL A 117 29.867 -1.999 -10.204 1.00 0.00 O ATOM 478 CB VAL A 117 32.624 -3.173 -8.617 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.145 -2.648 -9.958 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.600 -2.779 -7.504 1.00 0.00 C ATOM 0 H VAL A 117 31.252 -3.935 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 117 31.332 -1.493 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 117 32.541 -4.259 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 117 34.128 -3.074 -10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.456 -2.934 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.222 -1.561 -9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.582 -3.203 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.677 -1.693 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.237 -3.160 -6.550 1.00 0.00 H new ATOM 490 N ILE A 118 29.855 -4.159 -9.573 1.00 0.00 N ATOM 491 CA ILE A 118 28.923 -4.585 -10.609 1.00 0.00 C ATOM 492 C ILE A 118 27.633 -3.755 -10.524 1.00 0.00 C ATOM 493 O ILE A 118 27.108 -3.326 -11.548 1.00 0.00 O ATOM 494 CB ILE A 118 28.647 -6.091 -10.447 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.905 -6.885 -10.842 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.472 -6.516 -11.337 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.843 -8.302 -10.271 1.00 0.00 C ATOM 0 H ILE A 118 30.167 -4.910 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 118 29.353 -4.420 -11.597 1.00 0.00 H new ATOM 0 HB ILE A 118 28.392 -6.296 -9.407 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.990 -6.927 -11.928 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.795 -6.376 -10.472 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.288 -7.583 -11.212 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.580 -5.958 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.712 -6.309 -12.380 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.740 -8.850 -10.559 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.781 -8.254 -9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.964 -8.814 -10.662 1.00 0.00 H new ATOM 509 N ALA A 119 27.128 -3.527 -9.301 1.00 0.00 N ATOM 510 CA ALA A 119 25.907 -2.750 -9.093 1.00 0.00 C ATOM 511 C ALA A 119 26.075 -1.326 -9.627 1.00 0.00 C ATOM 512 O ALA A 119 25.139 -0.767 -10.194 1.00 0.00 O ATOM 513 CB ALA A 119 25.571 -2.722 -7.604 1.00 0.00 C ATOM 0 H ALA A 119 27.553 -3.874 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 119 25.090 -3.221 -9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.661 -2.143 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.419 -3.740 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.392 -2.263 -7.054 1.00 0.00 H new ATOM 519 N LYS A 120 27.270 -0.742 -9.448 1.00 0.00 N ATOM 520 CA LYS A 120 27.558 0.607 -9.931 1.00 0.00 C ATOM 521 C LYS A 120 27.296 0.708 -11.436 1.00 0.00 C ATOM 522 O LYS A 120 27.045 1.799 -11.948 1.00 0.00 O ATOM 523 CB LYS A 120 29.028 0.957 -9.643 1.00 0.00 C ATOM 524 CG LYS A 120 29.127 2.205 -8.763 1.00 0.00 C ATOM 525 CD LYS A 120 28.955 1.825 -7.289 1.00 0.00 C ATOM 526 CE LYS A 120 29.634 2.876 -6.411 1.00 0.00 C ATOM 527 NZ LYS A 120 28.940 4.175 -6.498 1.00 0.00 N ATOM 0 H LYS A 120 28.052 -1.190 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 120 26.904 1.308 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.516 0.118 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.557 1.125 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 120 30.093 2.689 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.362 2.925 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 120 27.896 1.757 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.390 0.843 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 120 29.646 2.536 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.673 2.995 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 29.349 4.834 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.053 4.566 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 27.929 4.042 -6.295 1.00 0.00 H new ATOM 541 N HIS A 121 27.370 -0.427 -12.139 1.00 0.00 N ATOM 542 CA HIS A 121 27.200 -0.466 -13.579 1.00 0.00 C ATOM 543 C HIS A 121 25.792 -0.947 -13.908 1.00 0.00 C ATOM 544 O HIS A 121 25.192 -0.493 -14.882 1.00 0.00 O ATOM 545 CB HIS A 121 28.279 -1.378 -14.166 1.00 0.00 C ATOM 546 CG HIS A 121 29.627 -1.118 -13.533 1.00 0.00 C ATOM 547 ND1 HIS A 121 30.075 0.164 -13.224 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.631 -1.949 -13.108 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.285 0.027 -12.649 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.685 -1.240 -12.549 1.00 0.00 N ATOM 0 H HIS A 121 27.550 -1.339 -11.718 1.00 0.00 H new ATOM 0 HA HIS A 121 27.314 0.525 -14.019 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.999 -2.420 -14.013 1.00 0.00 H new ATOM 0 HB3 HIS A 121 28.345 -1.220 -15.242 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.581 1.039 -13.400 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.605 -3.025 -13.197 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.874 0.863 -12.302 1.00 0.00 H new ATOM 558 N LEU A 122 25.256 -1.850 -13.077 1.00 0.00 N ATOM 559 CA LEU A 122 23.896 -2.328 -13.228 1.00 0.00 C ATOM 560 C LEU A 122 22.965 -1.288 -12.592 1.00 0.00 C ATOM 561 O LEU A 122 22.341 -1.538 -11.561 1.00 0.00 O ATOM 562 CB LEU A 122 23.762 -3.719 -12.567 1.00 0.00 C ATOM 563 CG LEU A 122 22.668 -4.564 -13.253 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.365 -3.772 -13.358 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.122 -4.993 -14.653 1.00 0.00 C ATOM 0 H LEU A 122 25.757 -2.261 -12.290 1.00 0.00 H new ATOM 0 HA LEU A 122 23.625 -2.448 -14.277 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.716 -4.243 -12.621 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.523 -3.600 -11.510 1.00 0.00 H new ATOM 0 HG LEU A 122 22.496 -5.452 -12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.605 -4.384 -13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.025 -3.497 -12.360 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.534 -2.869 -13.945 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.339 -5.588 -15.123 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.318 -4.108 -15.259 1.00 0.00 H new ATOM 0 HD23 LEU A 122 24.032 -5.588 -14.574 1.00 0.00 H new ATOM 577 N LYS A 123 22.891 -0.107 -13.220 1.00 0.00 N ATOM 578 CA LYS A 123 22.077 0.993 -12.730 1.00 0.00 C ATOM 579 C LYS A 123 20.602 0.602 -12.762 1.00 0.00 C ATOM 580 O LYS A 123 19.939 0.746 -13.788 1.00 0.00 O ATOM 581 CB LYS A 123 22.334 2.234 -13.592 1.00 0.00 C ATOM 582 CG LYS A 123 23.794 2.680 -13.433 1.00 0.00 C ATOM 583 CD LYS A 123 24.012 4.031 -14.125 1.00 0.00 C ATOM 584 CE LYS A 123 23.889 3.872 -15.646 1.00 0.00 C ATOM 585 NZ LYS A 123 24.286 5.110 -16.341 1.00 0.00 N ATOM 0 H LYS A 123 23.396 0.104 -14.080 1.00 0.00 H new ATOM 0 HA LYS A 123 22.345 1.221 -11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 123 22.123 2.012 -14.638 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.663 3.040 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.045 2.760 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.460 1.931 -13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.279 4.754 -13.767 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.997 4.423 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.516 3.046 -15.981 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.862 3.618 -15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 24.194 4.976 -17.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.671 5.891 -16.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.274 5.337 -16.109 1.00 0.00 H new ATOM 599 N GLY A 124 20.099 0.105 -11.630 1.00 0.00 N ATOM 600 CA GLY A 124 18.718 -0.323 -11.511 1.00 0.00 C ATOM 601 C GLY A 124 18.593 -1.363 -10.402 1.00 0.00 C ATOM 602 O GLY A 124 17.566 -1.427 -9.728 1.00 0.00 O ATOM 0 H GLY A 124 20.643 -0.009 -10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.080 0.533 -11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.375 -0.743 -12.457 1.00 0.00 H new ATOM 606 N ARG A 125 19.645 -2.177 -10.218 1.00 0.00 N ATOM 607 CA ARG A 125 19.661 -3.218 -9.200 1.00 0.00 C ATOM 608 C ARG A 125 20.896 -3.047 -8.317 1.00 0.00 C ATOM 609 O ARG A 125 22.008 -2.914 -8.825 1.00 0.00 O ATOM 610 CB ARG A 125 19.674 -4.603 -9.874 1.00 0.00 C ATOM 611 CG ARG A 125 18.597 -4.713 -10.969 1.00 0.00 C ATOM 612 CD ARG A 125 17.190 -4.497 -10.384 1.00 0.00 C ATOM 613 NE ARG A 125 16.320 -5.671 -10.570 1.00 0.00 N ATOM 614 CZ ARG A 125 15.875 -6.085 -11.769 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.531 -5.763 -12.881 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.766 -6.825 -11.848 1.00 0.00 N ATOM 0 H ARG A 125 20.500 -2.126 -10.772 1.00 0.00 H new ATOM 0 HA ARG A 125 18.768 -3.138 -8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.656 -4.787 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.509 -5.375 -9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.788 -3.974 -11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.652 -5.694 -11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.272 -4.273 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.731 -3.629 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 125 16.040 -6.199 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.378 -5.198 -12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.186 -6.081 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.258 -7.075 -10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.427 -7.140 -12.757 1.00 0.00 H new ATOM 630 N ILE A 126 20.699 -3.052 -6.991 1.00 0.00 N ATOM 631 CA ILE A 126 21.800 -2.898 -6.048 1.00 0.00 C ATOM 632 C ILE A 126 22.593 -4.206 -5.948 1.00 0.00 C ATOM 633 O ILE A 126 22.211 -5.217 -6.536 1.00 0.00 O ATOM 634 CB ILE A 126 21.259 -2.466 -4.671 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.244 -3.496 -4.148 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.590 -1.091 -4.795 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.988 -3.268 -2.656 1.00 0.00 C ATOM 0 H ILE A 126 19.784 -3.162 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 126 22.475 -2.120 -6.405 1.00 0.00 H new ATOM 0 HB ILE A 126 22.088 -2.406 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.309 -3.412 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.621 -4.506 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.207 -0.784 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.320 -0.361 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.767 -1.150 -5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.268 -4.002 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.923 -3.375 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.591 -2.264 -2.504 1.00 0.00 H new ATOM 649 N GLY A 127 23.704 -4.174 -5.199 1.00 0.00 N ATOM 650 CA GLY A 127 24.573 -5.332 -5.031 1.00 0.00 C ATOM 651 C GLY A 127 23.790 -6.552 -4.548 1.00 0.00 C ATOM 652 O GLY A 127 24.019 -7.660 -5.027 1.00 0.00 O ATOM 0 H GLY A 127 24.019 -3.344 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.061 -5.563 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.361 -5.097 -4.315 1.00 0.00 H new ATOM 656 N LYS A 128 22.870 -6.349 -3.598 1.00 0.00 N ATOM 657 CA LYS A 128 22.072 -7.436 -3.048 1.00 0.00 C ATOM 658 C LYS A 128 21.290 -8.136 -4.164 1.00 0.00 C ATOM 659 O LYS A 128 21.296 -9.361 -4.248 1.00 0.00 O ATOM 660 CB LYS A 128 21.118 -6.870 -1.987 1.00 0.00 C ATOM 661 CG LYS A 128 20.477 -8.009 -1.180 1.00 0.00 C ATOM 662 CD LYS A 128 21.444 -8.490 -0.092 1.00 0.00 C ATOM 663 CE LYS A 128 20.755 -9.547 0.776 1.00 0.00 C ATOM 664 NZ LYS A 128 21.639 -9.996 1.867 1.00 0.00 N ATOM 0 H LYS A 128 22.664 -5.434 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 128 22.726 -8.173 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.662 -6.204 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.342 -6.275 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.548 -7.666 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.222 -8.836 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 128 22.342 -8.908 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.761 -7.649 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.836 -9.136 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 128 20.471 -10.400 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 21.148 -10.712 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 22.505 -10.409 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.889 -9.184 2.467 1.00 0.00 H new ATOM 678 N GLN A 129 20.616 -7.352 -5.013 1.00 0.00 N ATOM 679 CA GLN A 129 19.813 -7.889 -6.102 1.00 0.00 C ATOM 680 C GLN A 129 20.704 -8.590 -7.120 1.00 0.00 C ATOM 681 O GLN A 129 20.440 -9.727 -7.492 1.00 0.00 O ATOM 682 CB GLN A 129 19.045 -6.754 -6.766 1.00 0.00 C ATOM 683 CG GLN A 129 18.020 -6.179 -5.792 1.00 0.00 C ATOM 684 CD GLN A 129 17.169 -5.130 -6.484 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.323 -3.938 -6.240 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.275 -5.579 -7.359 1.00 0.00 N ATOM 0 H GLN A 129 20.616 -6.333 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 129 19.108 -8.619 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.736 -5.973 -7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.543 -7.119 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.385 -6.977 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.529 -5.737 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.185 -6.581 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.679 -4.922 -7.862 1.00 0.00 H new ATOM 695 N CYS A 130 21.759 -7.907 -7.571 1.00 0.00 N ATOM 696 CA CYS A 130 22.703 -8.482 -8.527 1.00 0.00 C ATOM 697 C CYS A 130 23.183 -9.848 -8.025 1.00 0.00 C ATOM 698 O CYS A 130 23.151 -10.830 -8.765 1.00 0.00 O ATOM 699 CB CYS A 130 23.892 -7.534 -8.715 1.00 0.00 C ATOM 700 SG CYS A 130 23.336 -6.047 -9.585 1.00 0.00 S ATOM 0 H CYS A 130 21.980 -6.952 -7.287 1.00 0.00 H new ATOM 0 HA CYS A 130 22.207 -8.617 -9.488 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.316 -7.266 -7.747 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.680 -8.028 -9.282 1.00 0.00 H new ATOM 0 HG CYS A 130 22.774 -5.234 -8.740 1.00 0.00 H new ATOM 706 N ARG A 131 23.621 -9.902 -6.760 1.00 0.00 N ATOM 707 CA ARG A 131 24.096 -11.135 -6.150 1.00 0.00 C ATOM 708 C ARG A 131 22.976 -12.175 -6.143 1.00 0.00 C ATOM 709 O ARG A 131 23.194 -13.326 -6.520 1.00 0.00 O ATOM 710 CB ARG A 131 24.576 -10.834 -4.720 1.00 0.00 C ATOM 711 CG ARG A 131 25.312 -12.048 -4.134 1.00 0.00 C ATOM 712 CD ARG A 131 24.352 -12.903 -3.298 1.00 0.00 C ATOM 713 NE ARG A 131 24.972 -14.187 -2.947 1.00 0.00 N ATOM 714 CZ ARG A 131 24.307 -15.179 -2.330 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.018 -15.022 -1.997 1.00 0.00 N ATOM 716 NH2 ARG A 131 24.934 -16.329 -2.048 1.00 0.00 N ATOM 0 H ARG A 131 23.653 -9.093 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 131 24.929 -11.539 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.238 -9.968 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.724 -10.579 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.736 -12.648 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.144 -11.713 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.076 -12.367 -2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.433 -13.078 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 131 25.954 -14.333 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.539 -14.148 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.517 -15.777 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.914 -16.451 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.431 -17.083 -1.580 1.00 0.00 H new ATOM 730 N GLU A 132 21.779 -11.763 -5.706 1.00 0.00 N ATOM 731 CA GLU A 132 20.624 -12.644 -5.630 1.00 0.00 C ATOM 732 C GLU A 132 20.374 -13.292 -6.991 1.00 0.00 C ATOM 733 O GLU A 132 20.475 -14.508 -7.123 1.00 0.00 O ATOM 734 CB GLU A 132 19.407 -11.823 -5.170 1.00 0.00 C ATOM 735 CG GLU A 132 18.173 -12.719 -5.016 1.00 0.00 C ATOM 736 CD GLU A 132 16.927 -11.884 -4.720 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.019 -10.643 -4.844 1.00 0.00 O ATOM 738 OE2 GLU A 132 15.895 -12.497 -4.378 1.00 0.00 O ATOM 0 H GLU A 132 21.592 -10.809 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 132 20.803 -13.443 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.629 -11.336 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.201 -11.034 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.021 -13.296 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.336 -13.435 -4.210 1.00 0.00 H new ATOM 745 N ARG A 133 20.050 -12.473 -7.998 1.00 0.00 N ATOM 746 CA ARG A 133 19.766 -12.952 -9.346 1.00 0.00 C ATOM 747 C ARG A 133 20.786 -14.005 -9.770 1.00 0.00 C ATOM 748 O ARG A 133 20.422 -15.037 -10.332 1.00 0.00 O ATOM 749 CB ARG A 133 19.807 -11.758 -10.317 1.00 0.00 C ATOM 750 CG ARG A 133 19.434 -12.197 -11.742 1.00 0.00 C ATOM 751 CD ARG A 133 17.943 -12.530 -11.826 1.00 0.00 C ATOM 752 NE ARG A 133 17.576 -12.909 -13.197 1.00 0.00 N ATOM 753 CZ ARG A 133 16.430 -13.540 -13.513 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.609 -13.963 -12.551 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.110 -13.738 -14.795 1.00 0.00 N ATOM 0 H ARG A 133 19.979 -11.461 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 133 18.778 -13.412 -9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.118 -10.985 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.804 -11.318 -10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.676 -11.403 -12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.024 -13.068 -12.027 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.708 -13.345 -11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.354 -11.669 -11.511 1.00 0.00 H new ATOM 0 HE ARG A 133 18.225 -12.682 -13.950 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.849 -13.809 -11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.741 -14.441 -12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.734 -13.411 -15.533 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.242 -14.216 -15.036 1.00 0.00 H new ATOM 769 N TRP A 134 22.061 -13.728 -9.511 1.00 0.00 N ATOM 770 CA TRP A 134 23.136 -14.597 -9.928 1.00 0.00 C ATOM 771 C TRP A 134 23.134 -15.927 -9.161 1.00 0.00 C ATOM 772 O TRP A 134 22.906 -16.978 -9.753 1.00 0.00 O ATOM 773 CB TRP A 134 24.463 -13.853 -9.749 1.00 0.00 C ATOM 774 CG TRP A 134 25.557 -14.375 -10.606 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.615 -15.090 -10.194 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.715 -14.239 -12.042 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.420 -15.419 -11.254 1.00 0.00 N ATOM 778 CE2 TRP A 134 26.905 -14.921 -12.433 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.972 -13.610 -13.065 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.324 -14.986 -13.761 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.394 -13.668 -14.400 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.565 -14.366 -14.750 1.00 0.00 C ATOM 0 H TRP A 134 22.368 -12.896 -9.007 1.00 0.00 H new ATOM 0 HA TRP A 134 22.996 -14.854 -10.978 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.311 -12.797 -9.972 1.00 0.00 H new ATOM 0 HB3 TRP A 134 24.768 -13.918 -8.705 1.00 0.00 H new ATOM 0 HD1 TRP A 134 26.806 -15.368 -9.168 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.282 -15.959 -11.181 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.066 -13.077 -12.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.230 -15.513 -14.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.816 -13.173 -15.166 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.874 -14.421 -15.783 1.00 0.00 H new ATOM 793 N HIS A 135 23.410 -15.883 -7.853 1.00 0.00 N ATOM 794 CA HIS A 135 23.552 -17.092 -7.040 1.00 0.00 C ATOM 795 C HIS A 135 22.275 -17.940 -7.018 1.00 0.00 C ATOM 796 O HIS A 135 22.360 -19.163 -6.925 1.00 0.00 O ATOM 797 CB HIS A 135 23.961 -16.694 -5.623 1.00 0.00 C ATOM 798 CG HIS A 135 25.400 -16.255 -5.553 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.400 -17.044 -4.994 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.043 -15.119 -5.972 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.550 -16.349 -5.103 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.400 -15.161 -5.691 1.00 0.00 N ATOM 0 H HIS A 135 23.540 -15.015 -7.333 1.00 0.00 H new ATOM 0 HA HIS A 135 24.325 -17.714 -7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.318 -15.886 -5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.806 -17.538 -4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.552 -14.291 -6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.501 -16.718 -4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.110 -14.456 -5.886 1.00 0.00 H new ATOM 810 N ASN A 136 21.100 -17.311 -7.094 1.00 0.00 N ATOM 811 CA ASN A 136 19.835 -18.047 -7.059 1.00 0.00 C ATOM 812 C ASN A 136 19.642 -18.799 -8.360 1.00 0.00 C ATOM 813 O ASN A 136 18.960 -19.823 -8.392 1.00 0.00 O ATOM 814 CB ASN A 136 18.669 -17.082 -6.833 1.00 0.00 C ATOM 815 CG ASN A 136 18.659 -16.594 -5.396 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.695 -16.805 -4.667 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.743 -15.949 -4.990 1.00 0.00 N ATOM 0 H ASN A 136 20.998 -16.300 -7.180 1.00 0.00 H new ATOM 0 HA ASN A 136 19.863 -18.761 -6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.754 -16.233 -7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.727 -17.580 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.802 -15.603 -4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.519 -15.799 -5.635 1.00 0.00 H new ATOM 824 N HIS A 137 20.236 -18.279 -9.431 1.00 0.00 N ATOM 825 CA HIS A 137 20.107 -18.880 -10.755 1.00 0.00 C ATOM 826 C HIS A 137 21.484 -19.106 -11.397 1.00 0.00 C ATOM 827 O HIS A 137 22.340 -19.773 -10.818 1.00 0.00 O ATOM 828 CB HIS A 137 19.223 -17.976 -11.623 1.00 0.00 C ATOM 829 CG HIS A 137 17.934 -17.601 -10.947 1.00 0.00 C ATOM 830 ND1 HIS A 137 17.066 -18.536 -10.394 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.343 -16.392 -10.715 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.030 -17.845 -9.879 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.138 -16.525 -10.042 1.00 0.00 N ATOM 0 H HIS A 137 20.814 -17.439 -9.407 1.00 0.00 H new ATOM 0 HA HIS A 137 19.638 -19.860 -10.667 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.774 -17.069 -11.874 1.00 0.00 H new ATOM 0 HB3 HIS A 137 19.002 -18.484 -12.561 1.00 0.00 H new ATOM 0 HD2 HIS A 137 17.764 -15.445 -11.019 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.193 -18.314 -9.382 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.493 -15.793 -9.745 1.00 0.00 H new ATOM 841 N LEU A 138 21.675 -18.560 -12.606 1.00 0.00 N ATOM 842 CA LEU A 138 22.899 -18.730 -13.375 1.00 0.00 C ATOM 843 C LEU A 138 24.123 -18.208 -12.607 1.00 0.00 C ATOM 844 O LEU A 138 24.258 -17.009 -12.379 1.00 0.00 O ATOM 845 CB LEU A 138 22.743 -18.014 -14.733 1.00 0.00 C ATOM 846 CG LEU A 138 22.172 -16.588 -14.550 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.990 -15.603 -15.377 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.714 -16.531 -15.022 1.00 0.00 C ATOM 0 H LEU A 138 20.975 -17.985 -13.074 1.00 0.00 H new ATOM 0 HA LEU A 138 23.067 -19.793 -13.546 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.711 -17.960 -15.232 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.083 -18.593 -15.379 1.00 0.00 H new ATOM 0 HG LEU A 138 22.221 -16.328 -13.493 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.588 -14.598 -15.248 1.00 0.00 H new ATOM 0 HD12 LEU A 138 24.028 -15.624 -15.045 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.940 -15.882 -16.430 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.327 -15.521 -14.887 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.662 -16.801 -16.077 1.00 0.00 H new ATOM 0 HD23 LEU A 138 20.115 -17.230 -14.439 1.00 0.00 H new