USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 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= 0.0421 USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.12) USER MOD Single : A 101 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= 1.01 (180deg=-0.268!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.141) 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 HD1:sc= -0.46 X(o=-0.46,f=-0.35) USER MOD Single : A 123 LYS NZ :NH3+ 168:sc= -0.0273 (180deg=-0.216) USER MOD Single : A 128 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.1) USER MOD Single : A 129 GLN : amide:sc= 0.137 K(o=0.14,f=-4.5!) USER MOD Single : A 130 CYS SG : rot 75:sc= -0.344 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 136 ASN : amide:sc= 1.16 K(o=1.2,f=-0.023) USER MOD Single : A 137 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.491 -10.521 -13.330 1.00 0.00 N ATOM 85 CA TRP A 95 14.663 -10.068 -14.051 1.00 0.00 C ATOM 86 C TRP A 95 14.410 -10.093 -15.552 1.00 0.00 C ATOM 87 O TRP A 95 13.809 -11.031 -16.074 1.00 0.00 O ATOM 88 CB TRP A 95 15.846 -10.948 -13.680 1.00 0.00 C ATOM 89 CG TRP A 95 16.609 -10.453 -12.501 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.222 -10.545 -11.217 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.884 -9.758 -12.475 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.157 -9.974 -10.384 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.217 -9.466 -11.117 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.801 -9.339 -13.463 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.395 -8.801 -10.764 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.984 -8.665 -13.111 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.279 -8.395 -11.765 1.00 0.00 C ATOM 0 HA TRP A 95 14.887 -9.038 -13.774 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.488 -11.956 -13.473 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.519 -11.018 -14.535 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.303 -11.004 -10.884 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.080 -9.931 -9.368 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.591 -9.539 -14.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.619 -8.603 -9.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.672 -8.352 -13.883 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.188 -7.874 -11.505 1.00 0.00 H new ATOM 108 N THR A 96 14.872 -9.043 -16.237 1.00 0.00 N ATOM 109 CA THR A 96 14.682 -8.899 -17.666 1.00 0.00 C ATOM 110 C THR A 96 15.890 -9.473 -18.412 1.00 0.00 C ATOM 111 O THR A 96 16.987 -9.560 -17.859 1.00 0.00 O ATOM 112 CB THR A 96 14.478 -7.412 -17.993 1.00 0.00 C ATOM 113 OG1 THR A 96 15.707 -6.727 -17.884 1.00 0.00 O ATOM 114 CG2 THR A 96 13.463 -6.797 -17.014 1.00 0.00 C ATOM 0 H THR A 96 15.387 -8.274 -15.808 1.00 0.00 H new ATOM 0 HA THR A 96 13.800 -9.453 -17.987 1.00 0.00 H new ATOM 0 HB THR A 96 14.100 -7.321 -19.011 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.573 -5.779 -18.095 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.322 -5.742 -17.251 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.510 -7.319 -17.102 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.836 -6.893 -15.995 1.00 0.00 H new ATOM 122 N LYS A 97 15.675 -9.866 -19.672 1.00 0.00 N ATOM 123 CA LYS A 97 16.720 -10.443 -20.508 1.00 0.00 C ATOM 124 C LYS A 97 17.913 -9.488 -20.611 1.00 0.00 C ATOM 125 O LYS A 97 19.061 -9.916 -20.509 1.00 0.00 O ATOM 126 CB LYS A 97 16.121 -10.742 -21.894 1.00 0.00 C ATOM 127 CG LYS A 97 17.219 -11.134 -22.895 1.00 0.00 C ATOM 128 CD LYS A 97 17.516 -9.947 -23.821 1.00 0.00 C ATOM 129 CE LYS A 97 18.644 -10.306 -24.788 1.00 0.00 C ATOM 130 NZ LYS A 97 18.917 -9.187 -25.709 1.00 0.00 N ATOM 0 H LYS A 97 14.770 -9.791 -20.136 1.00 0.00 H new ATOM 0 HA LYS A 97 17.087 -11.369 -20.066 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.393 -11.549 -21.813 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.586 -9.865 -22.260 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.123 -11.428 -22.362 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.900 -11.996 -23.482 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.619 -9.678 -24.379 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.797 -9.075 -23.230 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.546 -10.550 -24.227 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.372 -11.195 -25.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.780 -9.388 -26.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.115 -9.071 -26.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.048 -8.312 -25.163 1.00 0.00 H new ATOM 144 N GLU A 98 17.639 -8.197 -20.821 1.00 0.00 N ATOM 145 CA GLU A 98 18.688 -7.200 -20.968 1.00 0.00 C ATOM 146 C GLU A 98 19.517 -7.105 -19.687 1.00 0.00 C ATOM 147 O GLU A 98 20.747 -7.098 -19.747 1.00 0.00 O ATOM 148 CB GLU A 98 18.058 -5.842 -21.321 1.00 0.00 C ATOM 149 CG GLU A 98 18.584 -5.359 -22.678 1.00 0.00 C ATOM 150 CD GLU A 98 18.269 -6.364 -23.782 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.069 -6.664 -23.958 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.238 -6.821 -24.430 1.00 0.00 O ATOM 0 H GLU A 98 16.693 -7.823 -20.892 1.00 0.00 H new ATOM 0 HA GLU A 98 19.358 -7.496 -21.776 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.972 -5.933 -21.353 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.294 -5.110 -20.548 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.137 -4.395 -22.922 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.661 -5.205 -22.619 1.00 0.00 H new ATOM 159 N GLU A 99 18.851 -7.029 -18.529 1.00 0.00 N ATOM 160 CA GLU A 99 19.547 -6.924 -17.258 1.00 0.00 C ATOM 161 C GLU A 99 20.407 -8.175 -17.034 1.00 0.00 C ATOM 162 O GLU A 99 21.552 -8.067 -16.598 1.00 0.00 O ATOM 163 CB GLU A 99 18.531 -6.730 -16.126 1.00 0.00 C ATOM 164 CG GLU A 99 19.199 -6.018 -14.944 1.00 0.00 C ATOM 165 CD GLU A 99 19.239 -4.509 -15.162 1.00 0.00 C ATOM 166 OE1 GLU A 99 18.261 -3.852 -14.749 1.00 0.00 O ATOM 167 OE2 GLU A 99 20.250 -4.039 -15.736 1.00 0.00 O ATOM 0 H GLU A 99 17.834 -7.039 -18.454 1.00 0.00 H new ATOM 0 HA GLU A 99 20.209 -6.058 -17.269 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.683 -6.145 -16.482 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.140 -7.696 -15.807 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.655 -6.241 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 99 20.213 -6.397 -14.814 1.00 0.00 H new ATOM 174 N ASP A 100 19.860 -9.361 -17.343 1.00 0.00 N ATOM 175 CA ASP A 100 20.603 -10.610 -17.203 1.00 0.00 C ATOM 176 C ASP A 100 21.857 -10.557 -18.068 1.00 0.00 C ATOM 177 O ASP A 100 22.947 -10.862 -17.596 1.00 0.00 O ATOM 178 CB ASP A 100 19.721 -11.799 -17.616 1.00 0.00 C ATOM 179 CG ASP A 100 19.187 -12.541 -16.402 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.830 -11.855 -15.425 1.00 0.00 O ATOM 181 OD2 ASP A 100 19.140 -13.787 -16.470 1.00 0.00 O ATOM 0 H ASP A 100 18.908 -9.475 -17.690 1.00 0.00 H new ATOM 0 HA ASP A 100 20.894 -10.740 -16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.888 -11.443 -18.222 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.298 -12.483 -18.238 1.00 0.00 H new ATOM 186 N GLN A 101 21.697 -10.168 -19.339 1.00 0.00 N ATOM 187 CA GLN A 101 22.814 -10.072 -20.265 1.00 0.00 C ATOM 188 C GLN A 101 23.889 -9.149 -19.688 1.00 0.00 C ATOM 189 O GLN A 101 25.076 -9.466 -19.744 1.00 0.00 O ATOM 190 CB GLN A 101 22.307 -9.550 -21.617 1.00 0.00 C ATOM 191 CG GLN A 101 23.419 -9.635 -22.671 1.00 0.00 C ATOM 192 CD GLN A 101 23.871 -11.077 -22.887 1.00 0.00 C ATOM 193 OE1 GLN A 101 25.038 -11.400 -22.687 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.944 -11.944 -23.295 1.00 0.00 N ATOM 0 H GLN A 101 20.796 -9.915 -19.744 1.00 0.00 H new ATOM 0 HA GLN A 101 23.258 -11.056 -20.415 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.445 -10.134 -21.940 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.972 -8.518 -21.514 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.062 -9.219 -23.613 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.268 -9.029 -22.356 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.985 -11.631 -23.449 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.193 -12.920 -23.453 1.00 0.00 H new ATOM 203 N ARG A 102 23.467 -8.008 -19.131 1.00 0.00 N ATOM 204 CA ARG A 102 24.390 -7.051 -18.542 1.00 0.00 C ATOM 205 C ARG A 102 25.181 -7.713 -17.408 1.00 0.00 C ATOM 206 O ARG A 102 26.400 -7.581 -17.357 1.00 0.00 O ATOM 207 CB ARG A 102 23.608 -5.827 -18.046 1.00 0.00 C ATOM 208 CG ARG A 102 23.355 -4.879 -19.226 1.00 0.00 C ATOM 209 CD ARG A 102 22.099 -4.030 -18.978 1.00 0.00 C ATOM 210 NE ARG A 102 22.106 -3.407 -17.651 1.00 0.00 N ATOM 211 CZ ARG A 102 22.814 -2.307 -17.351 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.717 -1.821 -18.214 1.00 0.00 N ATOM 213 NH2 ARG A 102 22.612 -1.696 -16.185 1.00 0.00 N ATOM 0 H ARG A 102 22.487 -7.731 -19.079 1.00 0.00 H new ATOM 0 HA ARG A 102 25.107 -6.717 -19.292 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.661 -6.139 -17.605 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.169 -5.314 -17.265 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.218 -4.228 -19.368 1.00 0.00 H new ATOM 0 HG3 ARG A 102 23.236 -5.455 -20.143 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.030 -3.255 -19.741 1.00 0.00 H new ATOM 0 HD3 ARG A 102 21.213 -4.657 -19.079 1.00 0.00 H new ATOM 0 HE ARG A 102 21.542 -3.833 -16.916 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.871 -2.288 -19.108 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.250 -0.984 -17.977 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.924 -2.065 -15.529 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.145 -0.859 -15.948 1.00 0.00 H new ATOM 227 N VAL A 103 24.498 -8.430 -16.503 1.00 0.00 N ATOM 228 CA VAL A 103 25.176 -9.104 -15.397 1.00 0.00 C ATOM 229 C VAL A 103 26.161 -10.133 -15.943 1.00 0.00 C ATOM 230 O VAL A 103 27.313 -10.152 -15.536 1.00 0.00 O ATOM 231 CB VAL A 103 24.150 -9.775 -14.472 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.868 -10.665 -13.451 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.365 -8.703 -13.726 1.00 0.00 C ATOM 0 H VAL A 103 23.486 -8.555 -16.518 1.00 0.00 H new ATOM 0 HA VAL A 103 25.728 -8.366 -14.816 1.00 0.00 H new ATOM 0 HB VAL A 103 23.475 -10.384 -15.073 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.133 -11.137 -12.799 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.436 -11.434 -13.974 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.547 -10.057 -12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.636 -9.177 -13.069 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.050 -8.098 -13.132 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.847 -8.066 -14.443 1.00 0.00 H new ATOM 243 N ILE A 104 25.703 -10.989 -16.864 1.00 0.00 N ATOM 244 CA ILE A 104 26.545 -12.021 -17.455 1.00 0.00 C ATOM 245 C ILE A 104 27.840 -11.396 -17.989 1.00 0.00 C ATOM 246 O ILE A 104 28.930 -11.889 -17.704 1.00 0.00 O ATOM 247 CB ILE A 104 25.763 -12.729 -18.578 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.673 -13.626 -17.968 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.720 -13.582 -19.425 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.674 -14.057 -19.046 1.00 0.00 C ATOM 0 H ILE A 104 24.745 -10.982 -17.215 1.00 0.00 H new ATOM 0 HA ILE A 104 26.816 -12.759 -16.700 1.00 0.00 H new ATOM 0 HB ILE A 104 25.296 -11.977 -19.214 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.129 -14.505 -17.513 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.153 -13.089 -17.174 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.160 -14.079 -20.217 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.483 -12.942 -19.867 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.197 -14.331 -18.792 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.908 -14.691 -18.600 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.205 -13.174 -19.482 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.196 -14.612 -19.825 1.00 0.00 H new ATOM 262 N GLU A 105 27.713 -10.312 -18.763 1.00 0.00 N ATOM 263 CA GLU A 105 28.862 -9.633 -19.347 1.00 0.00 C ATOM 264 C GLU A 105 29.779 -9.090 -18.247 1.00 0.00 C ATOM 265 O GLU A 105 30.979 -9.357 -18.251 1.00 0.00 O ATOM 266 CB GLU A 105 28.357 -8.502 -20.258 1.00 0.00 C ATOM 267 CG GLU A 105 29.510 -7.935 -21.105 1.00 0.00 C ATOM 268 CD GLU A 105 30.362 -6.938 -20.320 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.767 -6.122 -19.584 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.601 -7.002 -20.473 1.00 0.00 O ATOM 0 H GLU A 105 26.815 -9.888 -18.997 1.00 0.00 H new ATOM 0 HA GLU A 105 29.446 -10.336 -19.940 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.569 -8.878 -20.911 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.918 -7.709 -19.653 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.140 -8.753 -21.454 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.103 -7.446 -21.990 1.00 0.00 H new ATOM 277 N LEU A 106 29.213 -8.321 -17.310 1.00 0.00 N ATOM 278 CA LEU A 106 29.984 -7.708 -16.235 1.00 0.00 C ATOM 279 C LEU A 106 30.674 -8.771 -15.373 1.00 0.00 C ATOM 280 O LEU A 106 31.776 -8.542 -14.887 1.00 0.00 O ATOM 281 CB LEU A 106 29.058 -6.839 -15.378 1.00 0.00 C ATOM 282 CG LEU A 106 28.568 -5.623 -16.182 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.452 -4.923 -15.406 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.724 -4.643 -16.411 1.00 0.00 C ATOM 0 H LEU A 106 28.215 -8.110 -17.279 1.00 0.00 H new ATOM 0 HA LEU A 106 30.763 -7.084 -16.674 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.205 -7.428 -15.041 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.586 -6.504 -14.485 1.00 0.00 H new ATOM 0 HG LEU A 106 28.192 -5.959 -17.148 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.101 -4.060 -15.972 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.625 -5.617 -15.252 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.833 -4.593 -14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.367 -3.786 -16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.110 -4.304 -15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.519 -5.141 -16.965 1.00 0.00 H new ATOM 296 N VAL A 107 30.033 -9.928 -15.182 1.00 0.00 N ATOM 297 CA VAL A 107 30.608 -11.003 -14.384 1.00 0.00 C ATOM 298 C VAL A 107 31.760 -11.640 -15.155 1.00 0.00 C ATOM 299 O VAL A 107 32.829 -11.858 -14.600 1.00 0.00 O ATOM 300 CB VAL A 107 29.523 -12.038 -14.041 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.176 -13.329 -13.535 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.609 -11.476 -12.946 1.00 0.00 C ATOM 0 H VAL A 107 29.114 -10.140 -15.572 1.00 0.00 H new ATOM 0 HA VAL A 107 30.997 -10.605 -13.447 1.00 0.00 H new ATOM 0 HB VAL A 107 28.940 -12.253 -14.936 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.402 -14.058 -13.294 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.828 -13.734 -14.309 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.763 -13.114 -12.642 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.840 -12.209 -12.702 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.199 -11.259 -12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.137 -10.559 -13.301 1.00 0.00 H new ATOM 312 N GLN A 108 31.544 -11.928 -16.441 1.00 0.00 N ATOM 313 CA GLN A 108 32.581 -12.503 -17.283 1.00 0.00 C ATOM 314 C GLN A 108 33.788 -11.559 -17.318 1.00 0.00 C ATOM 315 O GLN A 108 34.931 -12.008 -17.358 1.00 0.00 O ATOM 316 CB GLN A 108 32.013 -12.726 -18.690 1.00 0.00 C ATOM 317 CG GLN A 108 33.047 -13.438 -19.569 1.00 0.00 C ATOM 318 CD GLN A 108 32.468 -13.746 -20.945 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.388 -14.904 -21.343 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.065 -12.704 -21.673 1.00 0.00 N ATOM 0 H GLN A 108 30.656 -11.770 -16.917 1.00 0.00 H new ATOM 0 HA GLN A 108 32.909 -13.462 -16.883 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.102 -13.321 -18.633 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.741 -11.770 -19.137 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.934 -12.813 -19.674 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.365 -14.363 -19.088 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.151 -11.758 -21.301 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.671 -12.853 -22.602 1.00 0.00 H new ATOM 329 N LYS A 109 33.518 -10.249 -17.300 1.00 0.00 N ATOM 330 CA LYS A 109 34.555 -9.233 -17.330 1.00 0.00 C ATOM 331 C LYS A 109 35.305 -9.194 -15.995 1.00 0.00 C ATOM 332 O LYS A 109 36.524 -9.352 -15.967 1.00 0.00 O ATOM 333 CB LYS A 109 33.898 -7.882 -17.629 1.00 0.00 C ATOM 334 CG LYS A 109 34.969 -6.801 -17.828 1.00 0.00 C ATOM 335 CD LYS A 109 34.461 -5.745 -18.818 1.00 0.00 C ATOM 336 CE LYS A 109 33.265 -4.988 -18.222 1.00 0.00 C ATOM 337 NZ LYS A 109 32.306 -4.608 -19.275 1.00 0.00 N ATOM 0 H LYS A 109 32.571 -9.872 -17.264 1.00 0.00 H new ATOM 0 HA LYS A 109 35.283 -9.465 -18.107 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.280 -7.960 -18.524 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.237 -7.602 -16.809 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.208 -6.333 -16.873 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.889 -7.251 -18.202 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.262 -5.045 -19.056 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.168 -6.224 -19.752 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.768 -5.612 -17.480 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.616 -4.095 -17.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.374 -4.430 -18.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.639 -3.746 -19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.227 -5.380 -19.968 1.00 0.00 H new ATOM 351 N TYR A 110 34.574 -8.974 -14.893 1.00 0.00 N ATOM 352 CA TYR A 110 35.168 -8.890 -13.564 1.00 0.00 C ATOM 353 C TYR A 110 35.161 -10.271 -12.900 1.00 0.00 C ATOM 354 O TYR A 110 36.183 -10.954 -12.882 1.00 0.00 O ATOM 355 CB TYR A 110 34.391 -7.864 -12.724 1.00 0.00 C ATOM 356 CG TYR A 110 34.401 -6.468 -13.317 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.622 -5.812 -13.557 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.187 -5.824 -13.627 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.630 -4.520 -14.108 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.198 -4.531 -14.176 1.00 0.00 C ATOM 361 CZ TYR A 110 34.418 -3.880 -14.418 1.00 0.00 C ATOM 362 OH TYR A 110 34.425 -2.626 -14.952 1.00 0.00 O ATOM 0 H TYR A 110 33.562 -8.851 -14.904 1.00 0.00 H new ATOM 0 HA TYR A 110 36.204 -8.561 -13.641 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.359 -8.199 -12.619 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.818 -7.828 -11.722 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.554 -6.302 -13.317 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.248 -6.324 -13.443 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.568 -4.018 -14.294 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.267 -4.037 -14.412 1.00 0.00 H new ATOM 0 HH TYR A 110 33.503 -2.331 -15.107 1.00 0.00 H new ATOM 372 N GLY A 111 34.008 -10.678 -12.355 1.00 0.00 N ATOM 373 CA GLY A 111 33.870 -11.967 -11.698 1.00 0.00 C ATOM 374 C GLY A 111 32.611 -11.970 -10.833 1.00 0.00 C ATOM 375 O GLY A 111 31.950 -10.939 -10.708 1.00 0.00 O ATOM 0 H GLY A 111 33.154 -10.121 -12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.814 -12.761 -12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.747 -12.168 -11.082 1.00 0.00 H new ATOM 379 N PRO A 112 32.275 -13.127 -10.225 1.00 0.00 N ATOM 380 CA PRO A 112 31.114 -13.262 -9.357 1.00 0.00 C ATOM 381 C PRO A 112 31.384 -12.621 -7.980 1.00 0.00 C ATOM 382 O PRO A 112 30.994 -13.165 -6.948 1.00 0.00 O ATOM 383 CB PRO A 112 30.888 -14.777 -9.245 1.00 0.00 C ATOM 384 CG PRO A 112 32.195 -15.443 -9.695 1.00 0.00 C ATOM 385 CD PRO A 112 33.024 -14.356 -10.383 1.00 0.00 C ATOM 0 HA PRO A 112 30.234 -12.752 -9.751 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.641 -15.058 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.055 -15.093 -9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.732 -15.859 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 112 31.994 -16.268 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.012 -14.273 -9.930 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.175 -14.589 -11.437 1.00 0.00 H new ATOM 393 N LYS A 113 32.056 -11.462 -7.975 1.00 0.00 N ATOM 394 CA LYS A 113 32.393 -10.744 -6.757 1.00 0.00 C ATOM 395 C LYS A 113 32.344 -9.247 -7.050 1.00 0.00 C ATOM 396 O LYS A 113 32.012 -8.849 -8.166 1.00 0.00 O ATOM 397 CB LYS A 113 33.795 -11.157 -6.280 1.00 0.00 C ATOM 398 CG LYS A 113 33.805 -12.637 -5.882 1.00 0.00 C ATOM 399 CD LYS A 113 35.146 -12.982 -5.225 1.00 0.00 C ATOM 400 CE LYS A 113 35.115 -14.419 -4.692 1.00 0.00 C ATOM 401 NZ LYS A 113 34.942 -15.395 -5.784 1.00 0.00 N ATOM 0 H LYS A 113 32.379 -11.001 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 113 31.682 -10.984 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.523 -10.981 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.094 -10.543 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.986 -12.844 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.648 -13.262 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.954 -12.871 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.350 -12.288 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 113 36.041 -14.630 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.301 -14.525 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.094 -16.356 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.979 -15.319 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.632 -15.199 -6.537 1.00 0.00 H new ATOM 415 N ARG A 114 32.674 -8.418 -6.047 1.00 0.00 N ATOM 416 CA ARG A 114 32.656 -6.967 -6.199 1.00 0.00 C ATOM 417 C ARG A 114 31.303 -6.536 -6.765 1.00 0.00 C ATOM 418 O ARG A 114 31.238 -5.790 -7.740 1.00 0.00 O ATOM 419 CB ARG A 114 33.806 -6.524 -7.119 1.00 0.00 C ATOM 420 CG ARG A 114 35.155 -6.910 -6.498 1.00 0.00 C ATOM 421 CD ARG A 114 36.286 -6.594 -7.483 1.00 0.00 C ATOM 422 NE ARG A 114 36.342 -5.158 -7.794 1.00 0.00 N ATOM 423 CZ ARG A 114 36.940 -4.248 -7.000 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.495 -4.622 -5.838 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.979 -2.962 -7.374 1.00 0.00 N ATOM 0 H ARG A 114 32.957 -8.737 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 114 32.796 -6.490 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.700 -6.992 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.763 -5.446 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.307 -6.364 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.162 -7.971 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 114 37.238 -6.913 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.139 -7.161 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 114 35.905 -4.833 -8.657 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.466 -5.600 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.946 -3.928 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.557 -2.675 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.431 -2.270 -6.776 1.00 0.00 H new ATOM 439 N TRP A 115 30.221 -7.020 -6.144 1.00 0.00 N ATOM 440 CA TRP A 115 28.870 -6.722 -6.591 1.00 0.00 C ATOM 441 C TRP A 115 28.590 -5.221 -6.524 1.00 0.00 C ATOM 442 O TRP A 115 27.652 -4.747 -7.153 1.00 0.00 O ATOM 443 CB TRP A 115 27.877 -7.530 -5.754 1.00 0.00 C ATOM 444 CG TRP A 115 27.985 -9.005 -5.985 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.469 -9.908 -5.116 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.639 -9.767 -7.180 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.472 -11.168 -5.666 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.968 -11.141 -6.954 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.087 -9.441 -8.441 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.773 -12.126 -7.925 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.882 -10.436 -9.420 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.232 -11.769 -9.165 1.00 0.00 C ATOM 0 H TRP A 115 30.264 -7.625 -5.324 1.00 0.00 H new ATOM 0 HA TRP A 115 28.757 -7.011 -7.636 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.044 -7.320 -4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.863 -7.204 -5.987 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.810 -9.675 -4.118 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.801 -12.008 -5.190 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.819 -8.417 -8.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.037 -13.153 -7.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.452 -10.168 -10.374 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.084 -12.521 -9.926 1.00 0.00 H new ATOM 463 N SER A 116 29.411 -4.469 -5.780 1.00 0.00 N ATOM 464 CA SER A 116 29.273 -3.025 -5.707 1.00 0.00 C ATOM 465 C SER A 116 29.593 -2.416 -7.078 1.00 0.00 C ATOM 466 O SER A 116 28.924 -1.483 -7.515 1.00 0.00 O ATOM 467 CB SER A 116 30.217 -2.478 -4.635 1.00 0.00 C ATOM 468 OG SER A 116 29.979 -3.147 -3.414 1.00 0.00 O ATOM 0 H SER A 116 30.177 -4.846 -5.222 1.00 0.00 H new ATOM 0 HA SER A 116 28.251 -2.759 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.253 -2.617 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.062 -1.406 -4.511 1.00 0.00 H new ATOM 0 HG SER A 116 30.584 -2.799 -2.727 1.00 0.00 H new ATOM 474 N VAL A 117 30.618 -2.959 -7.755 1.00 0.00 N ATOM 475 CA VAL A 117 31.016 -2.487 -9.076 1.00 0.00 C ATOM 476 C VAL A 117 29.903 -2.796 -10.073 1.00 0.00 C ATOM 477 O VAL A 117 29.504 -1.935 -10.851 1.00 0.00 O ATOM 478 CB VAL A 117 32.334 -3.167 -9.488 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.693 -2.792 -10.930 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.460 -2.716 -8.553 1.00 0.00 C ATOM 0 H VAL A 117 31.184 -3.729 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 117 31.179 -1.409 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 117 32.209 -4.248 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.627 -3.279 -11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.898 -3.119 -11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.810 -1.711 -11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.392 -3.199 -8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.576 -1.634 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.215 -2.994 -7.528 1.00 0.00 H new ATOM 490 N ILE A 118 29.398 -4.030 -10.043 1.00 0.00 N ATOM 491 CA ILE A 118 28.323 -4.444 -10.929 1.00 0.00 C ATOM 492 C ILE A 118 27.082 -3.579 -10.663 1.00 0.00 C ATOM 493 O ILE A 118 26.415 -3.147 -11.600 1.00 0.00 O ATOM 494 CB ILE A 118 28.043 -5.943 -10.711 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.237 -6.758 -11.245 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.765 -6.356 -11.456 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.240 -8.163 -10.644 1.00 0.00 C ATOM 0 H ILE A 118 29.722 -4.760 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 118 28.605 -4.303 -11.972 1.00 0.00 H new ATOM 0 HB ILE A 118 27.907 -6.135 -9.647 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.184 -6.821 -12.332 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.170 -6.250 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.577 -7.417 -11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.922 -5.777 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.888 -6.167 -12.522 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.090 -8.723 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.316 -8.094 -9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.315 -8.675 -10.911 1.00 0.00 H new ATOM 509 N ALA A 119 26.785 -3.321 -9.381 1.00 0.00 N ATOM 510 CA ALA A 119 25.637 -2.510 -8.992 1.00 0.00 C ATOM 511 C ALA A 119 25.776 -1.085 -9.534 1.00 0.00 C ATOM 512 O ALA A 119 24.794 -0.499 -9.977 1.00 0.00 O ATOM 513 CB ALA A 119 25.520 -2.496 -7.469 1.00 0.00 C ATOM 0 H ALA A 119 27.333 -3.669 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 119 24.732 -2.944 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.663 -1.890 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.386 -3.515 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.427 -2.073 -7.038 1.00 0.00 H new ATOM 519 N LYS A 120 26.996 -0.526 -9.501 1.00 0.00 N ATOM 520 CA LYS A 120 27.239 0.823 -10.007 1.00 0.00 C ATOM 521 C LYS A 120 26.790 0.924 -11.467 1.00 0.00 C ATOM 522 O LYS A 120 26.340 1.983 -11.904 1.00 0.00 O ATOM 523 CB LYS A 120 28.731 1.164 -9.880 1.00 0.00 C ATOM 524 CG LYS A 120 29.081 1.471 -8.417 1.00 0.00 C ATOM 525 CD LYS A 120 29.406 2.961 -8.250 1.00 0.00 C ATOM 526 CE LYS A 120 28.171 3.810 -8.570 1.00 0.00 C ATOM 527 NZ LYS A 120 28.410 5.230 -8.252 1.00 0.00 N ATOM 0 H LYS A 120 27.824 -0.991 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 120 26.664 1.537 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.334 0.330 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.970 2.023 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.246 1.199 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 120 29.934 0.868 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.737 3.157 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.228 3.238 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 120 27.918 3.707 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 120 27.316 3.445 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 27.559 5.784 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 28.628 5.327 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.211 5.582 -8.814 1.00 0.00 H new ATOM 541 N HIS A 121 26.912 -0.179 -12.216 1.00 0.00 N ATOM 542 CA HIS A 121 26.520 -0.217 -13.615 1.00 0.00 C ATOM 543 C HIS A 121 25.025 -0.515 -13.721 1.00 0.00 C ATOM 544 O HIS A 121 24.346 0.004 -14.611 1.00 0.00 O ATOM 545 CB HIS A 121 27.352 -1.280 -14.337 1.00 0.00 C ATOM 546 CG HIS A 121 28.826 -1.147 -14.043 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.450 0.085 -13.878 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.823 -2.071 -13.864 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.747 -0.167 -13.618 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.042 -1.467 -13.596 1.00 0.00 N ATOM 0 H HIS A 121 27.284 -1.061 -11.864 1.00 0.00 H new ATOM 0 HA HIS A 121 26.705 0.748 -14.086 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.011 -2.271 -14.037 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.189 -1.199 -15.412 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.677 -3.139 -13.924 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.478 0.609 -13.444 1.00 0.00 H new ATOM 0 HE2 HIS A 121 31.945 -1.910 -13.424 1.00 0.00 H new ATOM 558 N LEU A 122 24.512 -1.348 -12.805 1.00 0.00 N ATOM 559 CA LEU A 122 23.099 -1.685 -12.772 1.00 0.00 C ATOM 560 C LEU A 122 22.365 -0.655 -11.919 1.00 0.00 C ATOM 561 O LEU A 122 22.092 -0.885 -10.742 1.00 0.00 O ATOM 562 CB LEU A 122 22.911 -3.112 -12.239 1.00 0.00 C ATOM 563 CG LEU A 122 22.873 -4.099 -13.416 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.238 -4.161 -14.107 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.504 -5.488 -12.909 1.00 0.00 C ATOM 0 H LEU A 122 25.066 -1.799 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 122 22.679 -1.659 -13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.726 -3.369 -11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.987 -3.178 -11.665 1.00 0.00 H new ATOM 0 HG LEU A 122 22.127 -3.756 -14.133 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.193 -4.865 -14.938 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.501 -3.172 -14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.993 -4.490 -13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.478 -6.186 -13.746 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.247 -5.820 -12.183 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.523 -5.454 -12.435 1.00 0.00 H new ATOM 577 N LYS A 123 22.053 0.492 -12.535 1.00 0.00 N ATOM 578 CA LYS A 123 21.380 1.591 -11.857 1.00 0.00 C ATOM 579 C LYS A 123 19.929 1.213 -11.554 1.00 0.00 C ATOM 580 O LYS A 123 19.020 1.574 -12.299 1.00 0.00 O ATOM 581 CB LYS A 123 21.444 2.841 -12.743 1.00 0.00 C ATOM 582 CG LYS A 123 22.896 3.331 -12.847 1.00 0.00 C ATOM 583 CD LYS A 123 23.038 4.331 -14.006 1.00 0.00 C ATOM 584 CE LYS A 123 22.066 5.508 -13.836 1.00 0.00 C ATOM 585 NZ LYS A 123 22.244 6.173 -12.533 1.00 0.00 N ATOM 0 H LYS A 123 22.262 0.678 -13.516 1.00 0.00 H new ATOM 0 HA LYS A 123 21.878 1.800 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.055 2.615 -13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.814 3.627 -12.325 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.196 3.803 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.563 2.483 -13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.062 4.703 -14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.843 3.827 -14.953 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.223 6.229 -14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.040 5.150 -13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 21.725 7.074 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 21.877 5.560 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.255 6.355 -12.371 1.00 0.00 H new ATOM 599 N GLY A 124 19.724 0.485 -10.453 1.00 0.00 N ATOM 600 CA GLY A 124 18.402 0.053 -10.033 1.00 0.00 C ATOM 601 C GLY A 124 18.528 -1.214 -9.199 1.00 0.00 C ATOM 602 O GLY A 124 18.094 -1.253 -8.049 1.00 0.00 O ATOM 0 H GLY A 124 20.475 0.182 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.918 0.838 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.774 -0.132 -10.904 1.00 0.00 H new ATOM 606 N ARG A 125 19.134 -2.249 -9.787 1.00 0.00 N ATOM 607 CA ARG A 125 19.341 -3.515 -9.110 1.00 0.00 C ATOM 608 C ARG A 125 20.620 -3.431 -8.281 1.00 0.00 C ATOM 609 O ARG A 125 21.721 -3.487 -8.825 1.00 0.00 O ATOM 610 CB ARG A 125 19.428 -4.631 -10.153 1.00 0.00 C ATOM 611 CG ARG A 125 18.077 -4.754 -10.889 1.00 0.00 C ATOM 612 CD ARG A 125 17.475 -6.155 -10.707 1.00 0.00 C ATOM 613 NE ARG A 125 16.166 -6.087 -10.038 1.00 0.00 N ATOM 614 CZ ARG A 125 15.102 -6.842 -10.381 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.024 -7.424 -11.585 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.109 -7.012 -9.506 1.00 0.00 N ATOM 0 H ARG A 125 19.491 -2.225 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 125 18.509 -3.734 -8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.224 -4.416 -10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.679 -5.576 -9.670 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.383 -4.004 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.218 -4.550 -11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.365 -6.636 -11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.155 -6.773 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 125 16.056 -5.428 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.778 -7.300 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.211 -7.991 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.158 -6.573 -8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.300 -7.581 -9.756 1.00 0.00 H new ATOM 630 N ILE A 126 20.466 -3.286 -6.960 1.00 0.00 N ATOM 631 CA ILE A 126 21.599 -3.161 -6.052 1.00 0.00 C ATOM 632 C ILE A 126 22.402 -4.466 -6.000 1.00 0.00 C ATOM 633 O ILE A 126 21.991 -5.485 -6.558 1.00 0.00 O ATOM 634 CB ILE A 126 21.094 -2.765 -4.652 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.030 -3.766 -4.168 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.494 -1.355 -4.708 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.816 -3.613 -2.660 1.00 0.00 C ATOM 0 H ILE A 126 19.557 -3.253 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 126 22.266 -2.381 -6.419 1.00 0.00 H new ATOM 0 HB ILE A 126 21.930 -2.778 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.092 -3.596 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.345 -4.784 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.136 -1.072 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.257 -0.648 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.662 -1.341 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.061 -4.325 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.753 -3.806 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.481 -2.599 -2.441 1.00 0.00 H new ATOM 649 N GLY A 127 23.558 -4.419 -5.321 1.00 0.00 N ATOM 650 CA GLY A 127 24.449 -5.566 -5.196 1.00 0.00 C ATOM 651 C GLY A 127 23.699 -6.802 -4.702 1.00 0.00 C ATOM 652 O GLY A 127 23.966 -7.905 -5.162 1.00 0.00 O ATOM 0 H GLY A 127 23.895 -3.582 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.909 -5.779 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.257 -5.328 -4.504 1.00 0.00 H new ATOM 656 N LYS A 128 22.763 -6.615 -3.763 1.00 0.00 N ATOM 657 CA LYS A 128 21.981 -7.717 -3.219 1.00 0.00 C ATOM 658 C LYS A 128 21.247 -8.446 -4.349 1.00 0.00 C ATOM 659 O LYS A 128 21.324 -9.671 -4.454 1.00 0.00 O ATOM 660 CB LYS A 128 20.988 -7.164 -2.189 1.00 0.00 C ATOM 661 CG LYS A 128 20.148 -8.304 -1.606 1.00 0.00 C ATOM 662 CD LYS A 128 19.237 -7.757 -0.501 1.00 0.00 C ATOM 663 CE LYS A 128 18.138 -8.775 -0.176 1.00 0.00 C ATOM 664 NZ LYS A 128 18.709 -10.068 0.243 1.00 0.00 N ATOM 0 H LYS A 128 22.533 -5.704 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 128 22.640 -8.433 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.526 -6.653 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.338 -6.426 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.548 -8.766 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.799 -9.080 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.823 -7.544 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.789 -6.816 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.500 -8.383 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.505 -8.922 -1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.993 -10.610 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.003 -10.606 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.534 -9.902 0.854 1.00 0.00 H new ATOM 678 N GLN A 129 20.536 -7.685 -5.189 1.00 0.00 N ATOM 679 CA GLN A 129 19.778 -8.244 -6.298 1.00 0.00 C ATOM 680 C GLN A 129 20.713 -8.965 -7.268 1.00 0.00 C ATOM 681 O GLN A 129 20.447 -10.102 -7.649 1.00 0.00 O ATOM 682 CB GLN A 129 19.027 -7.114 -7.017 1.00 0.00 C ATOM 683 CG GLN A 129 17.752 -6.749 -6.246 1.00 0.00 C ATOM 684 CD GLN A 129 16.515 -7.351 -6.910 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.530 -6.655 -7.141 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.565 -8.649 -7.220 1.00 0.00 N ATOM 0 H GLN A 129 20.474 -6.670 -5.114 1.00 0.00 H new ATOM 0 HA GLN A 129 19.058 -8.969 -5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.670 -6.239 -7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.771 -7.425 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.829 -7.108 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.651 -5.665 -6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.403 -9.191 -7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.765 -9.098 -7.666 1.00 0.00 H new ATOM 695 N CYS A 130 21.801 -8.297 -7.669 1.00 0.00 N ATOM 696 CA CYS A 130 22.764 -8.866 -8.608 1.00 0.00 C ATOM 697 C CYS A 130 23.310 -10.190 -8.073 1.00 0.00 C ATOM 698 O CYS A 130 23.303 -11.198 -8.780 1.00 0.00 O ATOM 699 CB CYS A 130 23.905 -7.869 -8.835 1.00 0.00 C ATOM 700 SG CYS A 130 23.229 -6.333 -9.513 1.00 0.00 S ATOM 0 H CYS A 130 22.034 -7.356 -7.353 1.00 0.00 H new ATOM 0 HA CYS A 130 22.267 -9.062 -9.558 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.422 -7.670 -7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.641 -8.290 -9.520 1.00 0.00 H new ATOM 0 HG CYS A 130 22.617 -5.676 -8.573 1.00 0.00 H new ATOM 706 N ARG A 131 23.781 -10.181 -6.823 1.00 0.00 N ATOM 707 CA ARG A 131 24.329 -11.364 -6.183 1.00 0.00 C ATOM 708 C ARG A 131 23.312 -12.505 -6.240 1.00 0.00 C ATOM 709 O ARG A 131 23.621 -13.578 -6.746 1.00 0.00 O ATOM 710 CB ARG A 131 24.703 -11.005 -4.735 1.00 0.00 C ATOM 711 CG ARG A 131 25.506 -12.141 -4.067 1.00 0.00 C ATOM 712 CD ARG A 131 24.579 -13.237 -3.510 1.00 0.00 C ATOM 713 NE ARG A 131 23.455 -12.667 -2.751 1.00 0.00 N ATOM 714 CZ ARG A 131 23.554 -12.255 -1.475 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.726 -12.329 -0.828 1.00 0.00 N ATOM 716 NH2 ARG A 131 22.476 -11.769 -0.847 1.00 0.00 N ATOM 0 H ARG A 131 23.790 -9.350 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 131 25.225 -11.703 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.290 -10.087 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.797 -10.810 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.192 -12.578 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.114 -11.732 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.194 -13.840 -4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.151 -13.905 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 131 22.552 -12.580 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 131 25.549 -12.699 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 131 24.795 -12.015 0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 131 21.583 -11.712 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 131 22.548 -11.456 0.121 1.00 0.00 H new ATOM 730 N GLU A 132 22.100 -12.273 -5.719 1.00 0.00 N ATOM 731 CA GLU A 132 21.056 -13.294 -5.698 1.00 0.00 C ATOM 732 C GLU A 132 20.783 -13.818 -7.105 1.00 0.00 C ATOM 733 O GLU A 132 20.729 -15.026 -7.305 1.00 0.00 O ATOM 734 CB GLU A 132 19.779 -12.704 -5.081 1.00 0.00 C ATOM 735 CG GLU A 132 19.764 -12.961 -3.567 1.00 0.00 C ATOM 736 CD GLU A 132 19.250 -11.748 -2.802 1.00 0.00 C ATOM 737 OE1 GLU A 132 18.183 -11.226 -3.200 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.935 -11.363 -1.827 1.00 0.00 O ATOM 0 H GLU A 132 21.822 -11.383 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 132 21.392 -14.135 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.731 -11.633 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.900 -13.153 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.135 -13.824 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.770 -13.207 -3.228 1.00 0.00 H new ATOM 745 N ARG A 133 20.608 -12.923 -8.080 1.00 0.00 N ATOM 746 CA ARG A 133 20.326 -13.334 -9.448 1.00 0.00 C ATOM 747 C ARG A 133 21.349 -14.368 -9.909 1.00 0.00 C ATOM 748 O ARG A 133 20.999 -15.332 -10.593 1.00 0.00 O ATOM 749 CB ARG A 133 20.350 -12.109 -10.371 1.00 0.00 C ATOM 750 CG ARG A 133 20.048 -12.517 -11.826 1.00 0.00 C ATOM 751 CD ARG A 133 18.706 -13.252 -11.905 1.00 0.00 C ATOM 752 NE ARG A 133 18.264 -13.404 -13.294 1.00 0.00 N ATOM 753 CZ ARG A 133 17.210 -14.159 -13.647 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.390 -14.650 -12.708 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.979 -14.423 -14.937 1.00 0.00 N ATOM 0 H ARG A 133 20.657 -11.913 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 133 19.336 -13.788 -9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.615 -11.378 -10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.326 -11.627 -10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.023 -11.632 -12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.844 -13.158 -12.204 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.799 -14.234 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.954 -12.702 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 133 18.780 -12.915 -14.026 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.565 -14.451 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.590 -15.223 -12.978 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.603 -14.051 -15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.179 -14.996 -15.205 1.00 0.00 H new ATOM 769 N TRP A 134 22.614 -14.161 -9.542 1.00 0.00 N ATOM 770 CA TRP A 134 23.682 -15.036 -9.966 1.00 0.00 C ATOM 771 C TRP A 134 23.733 -16.320 -9.132 1.00 0.00 C ATOM 772 O TRP A 134 23.696 -17.412 -9.687 1.00 0.00 O ATOM 773 CB TRP A 134 25.012 -14.283 -9.895 1.00 0.00 C ATOM 774 CG TRP A 134 26.039 -14.840 -10.815 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.127 -15.543 -10.461 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.067 -14.779 -12.263 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.831 -15.944 -11.573 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.208 -15.502 -12.727 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.237 -14.191 -13.244 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.491 -15.649 -14.085 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.523 -14.330 -14.604 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.633 -15.070 -15.030 1.00 0.00 C ATOM 0 H TRP A 134 22.915 -13.388 -8.949 1.00 0.00 H new ATOM 0 HA TRP A 134 23.492 -15.339 -10.996 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.844 -13.234 -10.138 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.389 -14.317 -8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.411 -15.764 -9.443 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.692 -16.491 -11.550 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.369 -13.626 -12.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.361 -16.203 -14.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.881 -13.862 -15.335 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.828 -15.194 -16.085 1.00 0.00 H new ATOM 793 N HIS A 135 23.837 -16.193 -7.804 1.00 0.00 N ATOM 794 CA HIS A 135 23.997 -17.348 -6.919 1.00 0.00 C ATOM 795 C HIS A 135 22.677 -18.106 -6.687 1.00 0.00 C ATOM 796 O HIS A 135 22.455 -18.627 -5.595 1.00 0.00 O ATOM 797 CB HIS A 135 24.594 -16.869 -5.592 1.00 0.00 C ATOM 798 CG HIS A 135 26.016 -16.396 -5.741 1.00 0.00 C ATOM 799 ND1 HIS A 135 27.109 -17.221 -5.502 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.561 -15.191 -6.107 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.213 -16.482 -5.731 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.947 -15.231 -6.104 1.00 0.00 N ATOM 0 H HIS A 135 23.813 -15.296 -7.319 1.00 0.00 H new ATOM 0 HA HIS A 135 24.670 -18.058 -7.400 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.984 -16.058 -5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.558 -17.681 -4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.981 -14.318 -6.366 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.216 -16.867 -5.623 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.603 -14.484 -6.332 1.00 0.00 H new ATOM 810 N ASN A 136 21.815 -18.190 -7.710 1.00 0.00 N ATOM 811 CA ASN A 136 20.570 -18.952 -7.615 1.00 0.00 C ATOM 812 C ASN A 136 20.219 -19.546 -8.970 1.00 0.00 C ATOM 813 O ASN A 136 20.275 -20.758 -9.156 1.00 0.00 O ATOM 814 CB ASN A 136 19.423 -18.057 -7.135 1.00 0.00 C ATOM 815 CG ASN A 136 19.487 -17.832 -5.635 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.942 -18.615 -4.862 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.150 -16.761 -5.226 1.00 0.00 N ATOM 0 H ASN A 136 21.961 -17.738 -8.612 1.00 0.00 H new ATOM 0 HA ASN A 136 20.714 -19.755 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.468 -17.098 -7.651 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.469 -18.515 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.225 -16.557 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.586 -16.140 -5.908 1.00 0.00 H new ATOM 824 N HIS A 137 19.834 -18.680 -9.907 1.00 0.00 N ATOM 825 CA HIS A 137 19.387 -19.112 -11.228 1.00 0.00 C ATOM 826 C HIS A 137 20.565 -19.554 -12.102 1.00 0.00 C ATOM 827 O HIS A 137 20.730 -20.746 -12.355 1.00 0.00 O ATOM 828 CB HIS A 137 18.613 -17.972 -11.898 1.00 0.00 C ATOM 829 CG HIS A 137 17.573 -17.373 -11.000 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.274 -17.860 -10.908 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.618 -16.316 -10.138 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.632 -17.078 -10.017 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.400 -16.111 -9.509 1.00 0.00 N ATOM 0 H HIS A 137 19.823 -17.669 -9.773 1.00 0.00 H new ATOM 0 HA HIS A 137 18.732 -19.975 -11.110 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.313 -17.195 -12.206 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.134 -18.346 -12.803 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.497 -15.712 -9.967 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.598 -17.220 -9.741 1.00 0.00 H new ATOM 0 HE2 HIS A 137 16.151 -15.396 -8.825 1.00 0.00 H new ATOM 841 N LEU A 138 21.368 -18.590 -12.576 1.00 0.00 N ATOM 842 CA LEU A 138 22.485 -18.870 -13.474 1.00 0.00 C ATOM 843 C LEU A 138 23.810 -18.538 -12.793 1.00 0.00 C ATOM 844 O LEU A 138 24.111 -17.372 -12.549 1.00 0.00 O ATOM 845 CB LEU A 138 22.320 -18.063 -14.780 1.00 0.00 C ATOM 846 CG LEU A 138 21.878 -16.614 -14.483 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.621 -15.645 -15.390 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.382 -16.465 -14.744 1.00 0.00 C ATOM 0 H LEU A 138 21.258 -17.602 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 138 22.489 -19.932 -13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.262 -18.054 -15.328 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.583 -18.548 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 138 22.102 -16.392 -13.439 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.302 -14.626 -15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.693 -15.734 -15.217 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.401 -15.880 -16.431 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.076 -15.440 -14.533 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.170 -16.699 -15.787 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.830 -17.149 -14.099 1.00 0.00 H new