USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 332 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 731 GLN : amide:sc= -8.07! C(o=-8.1!,f=-11!) USER MOD Single : A 735 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.16) USER MOD Single : A 737 ASN : amide:sc= -4.6! K(o=-4.6!,f=-0.45) USER MOD Single : A 743 GLN : amide:sc= -0.383! X(o=-0.38!,f=-0.63) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -140:sc= -0.146 (180deg=-2.09!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 751 THR OG1 : rot -50:sc= 0.975 USER MOD Single : A 760 THR OG1 : rot 78:sc= 0.806 USER MOD Single : A 761 LYS NZ :NH3+ -165:sc= -0.0656 (180deg=-0.35) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -2.13 K(o=-2.1,f=-1.2) USER MOD Single : A 768 GLN : amide:sc= -6.17! C(o=-6.2!,f=-4.9!) USER MOD Single : A 771 THR OG1 : rot 180:sc= 0.0034 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.885 -8.707 4.246 1.00 0.00 N ATOM 88 CA ARG A 730 7.447 -8.431 2.898 1.00 0.00 C ATOM 89 C ARG A 730 6.385 -7.340 2.815 1.00 0.00 C ATOM 90 O ARG A 730 6.419 -6.481 1.926 1.00 0.00 O ATOM 91 CB ARG A 730 7.020 -9.669 2.128 1.00 0.00 C ATOM 92 CG ARG A 730 6.329 -10.746 2.934 1.00 0.00 C ATOM 93 CD ARG A 730 5.683 -11.779 2.035 1.00 0.00 C ATOM 94 NE ARG A 730 6.634 -12.415 1.129 1.00 0.00 N ATOM 95 CZ ARG A 730 6.293 -13.087 0.024 1.00 0.00 C ATOM 96 NH1 ARG A 730 5.000 -13.264 -0.299 1.00 0.00 N ATOM 97 NH2 ARG A 730 7.238 -13.583 -0.756 1.00 0.00 N ATOM 0 HA ARG A 730 8.340 -8.046 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.352 -9.360 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 730 7.903 -10.104 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.052 -11.232 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.572 -10.294 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.208 -12.543 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 730 4.894 -11.304 1.451 1.00 0.00 H new ATOM 0 HE ARG A 730 7.626 -12.342 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 730 4.268 -12.884 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 730 4.751 -13.778 -1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 730 8.220 -13.452 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 730 6.985 -14.097 -1.600 1.00 0.00 H new ATOM 111 N GLN A 731 5.450 -7.385 3.731 1.00 0.00 N ATOM 112 CA GLN A 731 4.373 -6.416 3.793 1.00 0.00 C ATOM 113 C GLN A 731 4.885 -5.115 4.359 1.00 0.00 C ATOM 114 O GLN A 731 4.773 -4.064 3.744 1.00 0.00 O ATOM 115 CB GLN A 731 3.251 -6.986 4.667 1.00 0.00 C ATOM 116 CG GLN A 731 2.155 -6.010 5.092 1.00 0.00 C ATOM 117 CD GLN A 731 1.441 -5.322 3.941 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.979 -4.211 4.078 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.286 -6.000 2.826 1.00 0.00 N ATOM 0 H GLN A 731 5.410 -8.097 4.461 1.00 0.00 H new ATOM 0 HA GLN A 731 3.986 -6.219 2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.784 -7.810 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.700 -7.408 5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.419 -6.548 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.594 -5.249 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.686 -6.934 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.766 -5.592 2.049 1.00 0.00 H new ATOM 128 N GLY A 732 5.560 -5.237 5.473 1.00 0.00 N ATOM 129 CA GLY A 732 6.028 -4.067 6.211 1.00 0.00 C ATOM 130 C GLY A 732 7.195 -3.379 5.538 1.00 0.00 C ATOM 131 O GLY A 732 7.682 -2.345 6.007 1.00 0.00 O ATOM 0 H GLY A 732 5.804 -6.131 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 732 5.207 -3.358 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.321 -4.370 7.216 1.00 0.00 H new ATOM 135 N GLY A 733 7.655 -3.956 4.465 1.00 0.00 N ATOM 136 CA GLY A 733 8.736 -3.408 3.743 1.00 0.00 C ATOM 137 C GLY A 733 8.513 -3.504 2.277 1.00 0.00 C ATOM 138 O GLY A 733 9.303 -4.137 1.568 1.00 0.00 O ATOM 0 H GLY A 733 7.281 -4.822 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.871 -2.364 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.655 -3.931 4.008 1.00 0.00 H new ATOM 142 N GLY A 734 7.419 -2.939 1.804 1.00 0.00 N ATOM 143 CA GLY A 734 7.211 -2.944 0.395 1.00 0.00 C ATOM 144 C GLY A 734 5.875 -2.434 -0.061 1.00 0.00 C ATOM 145 O GLY A 734 5.783 -1.362 -0.659 1.00 0.00 O ATOM 0 H GLY A 734 6.693 -2.490 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.990 -2.341 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.335 -3.964 0.030 1.00 0.00 H new ATOM 149 N LYS A 735 4.835 -3.164 0.237 1.00 0.00 N ATOM 150 CA LYS A 735 3.540 -2.859 -0.329 1.00 0.00 C ATOM 151 C LYS A 735 2.451 -3.181 0.665 1.00 0.00 C ATOM 152 O LYS A 735 2.698 -3.943 1.561 1.00 0.00 O ATOM 153 CB LYS A 735 3.328 -3.658 -1.645 1.00 0.00 C ATOM 154 CG LYS A 735 2.936 -5.159 -1.516 1.00 0.00 C ATOM 155 CD LYS A 735 3.969 -6.026 -0.774 1.00 0.00 C ATOM 156 CE LYS A 735 5.301 -6.116 -1.519 1.00 0.00 C ATOM 157 NZ LYS A 735 6.264 -6.990 -0.820 1.00 0.00 N ATOM 0 H LYS A 735 4.853 -3.969 0.863 1.00 0.00 H new ATOM 0 HA LYS A 735 3.497 -1.795 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.552 -3.156 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.248 -3.599 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.981 -5.229 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.786 -5.570 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.139 -5.612 0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.565 -7.029 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.129 -6.497 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.726 -5.118 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.176 -6.971 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 6.396 -6.651 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.899 -7.964 -0.802 1.00 0.00 H new ATOM 171 N LEU A 736 1.242 -2.641 0.483 1.00 0.00 N ATOM 172 CA LEU A 736 0.138 -2.967 1.409 1.00 0.00 C ATOM 173 C LEU A 736 -1.042 -3.503 0.622 1.00 0.00 C ATOM 174 O LEU A 736 -1.500 -2.881 -0.328 1.00 0.00 O ATOM 175 CB LEU A 736 -0.354 -1.784 2.268 1.00 0.00 C ATOM 176 CG LEU A 736 0.693 -0.823 2.861 1.00 0.00 C ATOM 177 CD1 LEU A 736 0.957 0.350 1.927 1.00 0.00 C ATOM 178 CD2 LEU A 736 0.251 -0.330 4.225 1.00 0.00 C ATOM 0 H LEU A 736 1.001 -1.996 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 736 0.547 -3.707 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.039 -1.194 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -0.935 -2.193 3.095 1.00 0.00 H new ATOM 0 HG LEU A 736 1.626 -1.374 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 736 1.700 1.010 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 736 1.329 -0.022 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 736 0.031 0.902 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 736 1.003 0.348 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.699 0.196 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 736 0.130 -1.179 4.897 1.00 0.00 H new ATOM 190 N ASN A 737 -1.556 -4.644 1.013 1.00 0.00 N ATOM 191 CA ASN A 737 -2.688 -5.280 0.279 1.00 0.00 C ATOM 192 C ASN A 737 -3.656 -5.750 1.287 1.00 0.00 C ATOM 193 O ASN A 737 -3.272 -5.980 2.203 1.00 0.00 O ATOM 194 CB ASN A 737 -2.282 -6.498 -0.642 1.00 0.00 C ATOM 195 CG ASN A 737 -1.300 -6.241 -1.790 1.00 0.00 C ATOM 196 OD1 ASN A 737 -1.429 -6.834 -2.859 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.337 -5.427 -1.589 1.00 0.00 N ATOM 0 H ASN A 737 -1.231 -5.168 1.825 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.096 -4.527 -0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -1.853 -7.270 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.195 -6.910 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.348 -5.256 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -0.253 -4.948 -0.693 1.00 0.00 H new ATOM 204 N PHE A 738 -4.929 -5.788 1.083 1.00 0.00 N ATOM 205 CA PHE A 738 -5.880 -6.334 2.101 1.00 0.00 C ATOM 206 C PHE A 738 -5.337 -7.637 2.724 1.00 0.00 C ATOM 207 O PHE A 738 -4.933 -7.630 3.884 1.00 0.00 O ATOM 208 CB PHE A 738 -7.235 -6.565 1.441 1.00 0.00 C ATOM 209 CG PHE A 738 -8.256 -7.208 2.314 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.689 -6.577 3.437 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.760 -8.453 2.010 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.614 -7.156 4.262 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.689 -9.050 2.824 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.115 -8.399 3.958 1.00 0.00 C ATOM 0 H PHE A 738 -5.376 -5.455 0.229 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.993 -5.613 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.624 -5.606 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.091 -7.186 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.296 -5.601 3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.420 -8.965 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -9.949 -6.638 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.083 -10.024 2.576 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.842 -8.864 4.608 1.00 0.00 H new ATOM 224 N ASP A 739 -5.214 -8.684 1.927 1.00 0.00 N ATOM 225 CA ASP A 739 -4.694 -9.977 2.408 1.00 0.00 C ATOM 226 C ASP A 739 -3.215 -9.934 2.769 1.00 0.00 C ATOM 227 O ASP A 739 -2.758 -10.689 3.630 1.00 0.00 O ATOM 228 CB ASP A 739 -4.974 -11.106 1.429 1.00 0.00 C ATOM 229 CG ASP A 739 -6.381 -11.645 1.566 1.00 0.00 C ATOM 230 OD1 ASP A 739 -6.601 -12.575 2.363 1.00 0.00 O ATOM 231 OD2 ASP A 739 -7.290 -11.151 0.891 1.00 0.00 O ATOM 0 H ASP A 739 -5.465 -8.676 0.938 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.240 -10.181 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -4.821 -10.748 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.260 -11.913 1.594 1.00 0.00 H new ATOM 236 N GLU A 740 -2.469 -9.048 2.152 1.00 0.00 N ATOM 237 CA GLU A 740 -1.047 -8.943 2.479 1.00 0.00 C ATOM 238 C GLU A 740 -0.849 -8.002 3.679 1.00 0.00 C ATOM 239 O GLU A 740 -0.005 -8.234 4.529 1.00 0.00 O ATOM 240 CB GLU A 740 -0.230 -8.457 1.279 1.00 0.00 C ATOM 241 CG GLU A 740 1.230 -8.898 1.279 1.00 0.00 C ATOM 242 CD GLU A 740 1.403 -10.312 0.813 1.00 0.00 C ATOM 243 OE1 GLU A 740 1.023 -11.248 1.528 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.935 -10.499 -0.299 1.00 0.00 O ATOM 0 H GLU A 740 -2.801 -8.400 1.438 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.688 -9.938 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.704 -8.816 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.266 -7.368 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.807 -8.234 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.636 -8.798 2.286 1.00 0.00 H new ATOM 251 N LEU A 741 -1.662 -6.952 3.754 1.00 0.00 N ATOM 252 CA LEU A 741 -1.634 -5.951 4.831 1.00 0.00 C ATOM 253 C LEU A 741 -1.827 -6.627 6.138 1.00 0.00 C ATOM 254 O LEU A 741 -1.363 -6.169 7.144 1.00 0.00 O ATOM 255 CB LEU A 741 -2.764 -4.924 4.681 1.00 0.00 C ATOM 256 CG LEU A 741 -2.915 -3.959 5.828 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.044 -2.729 5.673 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.323 -3.620 6.028 1.00 0.00 C ATOM 0 H LEU A 741 -2.379 -6.764 3.053 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.671 -5.443 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.595 -4.353 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.705 -5.460 4.553 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.558 -4.459 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.192 -2.068 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -0.997 -3.028 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.315 -2.204 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.415 -2.922 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.718 -3.159 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.887 -4.526 6.250 1.00 0.00 H new ATOM 270 N ARG A 742 -2.544 -7.750 6.106 1.00 0.00 N ATOM 271 CA ARG A 742 -2.770 -8.544 7.280 1.00 0.00 C ATOM 272 C ARG A 742 -1.460 -8.929 7.819 1.00 0.00 C ATOM 273 O ARG A 742 -1.319 -8.916 8.880 1.00 0.00 O ATOM 274 CB ARG A 742 -3.524 -9.828 7.029 1.00 0.00 C ATOM 275 CG ARG A 742 -4.544 -9.812 5.958 1.00 0.00 C ATOM 276 CD ARG A 742 -5.804 -9.090 6.300 1.00 0.00 C ATOM 277 NE ARG A 742 -6.899 -9.645 5.520 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.414 -10.881 5.636 1.00 0.00 C ATOM 279 NH1 ARG A 742 -6.966 -11.741 6.552 1.00 0.00 N ATOM 280 NH2 ARG A 742 -8.355 -11.255 4.805 1.00 0.00 N ATOM 0 H ARG A 742 -2.977 -8.121 5.260 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.371 -7.933 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.798 -10.606 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.014 -10.120 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.110 -9.353 5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.792 -10.841 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.015 -9.186 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.696 -8.026 6.091 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.317 -9.037 4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.215 -11.466 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -7.374 -12.673 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.685 -10.612 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -8.758 -12.189 4.878 1.00 0.00 H new ATOM 294 N GLN A 743 -0.472 -9.193 7.010 1.00 0.00 N ATOM 295 CA GLN A 743 0.858 -9.560 7.506 1.00 0.00 C ATOM 296 C GLN A 743 1.335 -8.528 8.513 1.00 0.00 C ATOM 297 O GLN A 743 1.990 -8.840 9.507 1.00 0.00 O ATOM 298 CB GLN A 743 1.828 -9.653 6.375 1.00 0.00 C ATOM 299 CG GLN A 743 2.498 -11.002 6.219 1.00 0.00 C ATOM 300 CD GLN A 743 2.384 -11.529 4.809 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.269 -12.218 4.315 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.265 -11.265 4.183 1.00 0.00 N ATOM 0 H GLN A 743 -0.548 -9.165 5.993 1.00 0.00 H new ATOM 0 HA GLN A 743 0.794 -10.534 7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.307 -9.413 5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.599 -8.895 6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.550 -10.918 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.046 -11.714 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 743 0.554 -10.687 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.104 -11.638 3.247 1.00 0.00 H new ATOM 311 N ASP A 744 0.899 -7.325 8.284 1.00 0.00 N ATOM 312 CA ASP A 744 1.188 -6.236 9.178 1.00 0.00 C ATOM 313 C ASP A 744 0.258 -6.287 10.391 1.00 0.00 C ATOM 314 O ASP A 744 0.697 -6.262 11.534 1.00 0.00 O ATOM 315 CB ASP A 744 1.042 -4.891 8.505 1.00 0.00 C ATOM 316 CG ASP A 744 2.181 -3.958 8.896 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.277 -4.037 8.291 1.00 0.00 O ATOM 318 OD2 ASP A 744 2.021 -3.165 9.857 1.00 0.00 O ATOM 0 H ASP A 744 0.334 -7.068 7.475 1.00 0.00 H new ATOM 0 HA ASP A 744 2.226 -6.350 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 744 1.029 -5.021 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.088 -4.443 8.783 1.00 0.00 H new ATOM 323 N LEU A 745 -1.034 -6.374 10.115 1.00 0.00 N ATOM 324 CA LEU A 745 -2.084 -6.370 11.125 1.00 0.00 C ATOM 325 C LEU A 745 -2.885 -7.682 11.204 1.00 0.00 C ATOM 326 O LEU A 745 -4.121 -7.670 11.265 1.00 0.00 O ATOM 327 CB LEU A 745 -2.969 -5.138 10.923 1.00 0.00 C ATOM 328 CG LEU A 745 -3.274 -4.715 9.485 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.248 -5.653 8.835 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.766 -3.284 9.469 1.00 0.00 C ATOM 0 H LEU A 745 -1.391 -6.451 9.163 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.606 -6.307 12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -3.918 -5.319 11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.494 -4.297 11.428 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.357 -4.767 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.444 -5.324 7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.829 -6.659 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.180 -5.658 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -3.983 -2.985 8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.672 -3.204 10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -2.998 -2.631 9.883 1.00 0.00 H new ATOM 342 N LYS A 746 -2.176 -8.803 11.166 1.00 0.00 N ATOM 343 CA LYS A 746 -2.800 -10.131 11.214 1.00 0.00 C ATOM 344 C LYS A 746 -3.660 -10.289 12.469 1.00 0.00 C ATOM 345 O LYS A 746 -3.166 -10.168 13.592 1.00 0.00 O ATOM 346 CB LYS A 746 -1.757 -11.302 11.115 1.00 0.00 C ATOM 347 CG LYS A 746 -1.088 -11.555 9.756 1.00 0.00 C ATOM 348 CD LYS A 746 -0.577 -12.993 9.673 1.00 0.00 C ATOM 349 CE LYS A 746 0.170 -13.267 8.377 1.00 0.00 C ATOM 350 NZ LYS A 746 0.634 -14.670 8.291 1.00 0.00 N ATOM 0 H LYS A 746 -1.158 -8.824 11.101 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.439 -10.199 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -0.970 -11.112 11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.257 -12.222 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.801 -11.369 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.260 -10.860 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.082 -13.191 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.419 -13.681 9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -0.480 -13.048 7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 746 1.026 -12.597 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 1.138 -14.815 7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 1.275 -14.873 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.185 -15.310 8.335 1.00 0.00 H new ATOM 364 N GLY A 747 -4.937 -10.531 12.272 1.00 0.00 N ATOM 365 CA GLY A 747 -5.845 -10.633 13.389 1.00 0.00 C ATOM 366 C GLY A 747 -6.434 -9.262 13.727 1.00 0.00 C ATOM 367 O GLY A 747 -5.744 -8.422 14.316 1.00 0.00 O ATOM 0 H GLY A 747 -5.366 -10.660 11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.647 -11.331 13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.321 -11.034 14.256 1.00 0.00 H new ATOM 371 N LYS A 748 -7.696 -9.025 13.364 1.00 0.00 N ATOM 372 CA LYS A 748 -8.333 -7.695 13.568 1.00 0.00 C ATOM 373 C LYS A 748 -9.825 -7.731 13.265 1.00 0.00 C ATOM 374 O LYS A 748 -10.584 -6.888 13.737 1.00 0.00 O ATOM 375 CB LYS A 748 -7.687 -6.575 12.692 1.00 0.00 C ATOM 376 CG LYS A 748 -8.025 -6.639 11.190 1.00 0.00 C ATOM 377 CD LYS A 748 -7.457 -7.891 10.563 1.00 0.00 C ATOM 378 CE LYS A 748 -8.368 -8.442 9.557 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.918 -9.737 9.046 1.00 0.00 N ATOM 0 H LYS A 748 -8.303 -9.720 12.930 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.171 -7.461 14.620 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -8.004 -5.606 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.604 -6.626 12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.106 -6.618 11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.624 -5.760 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.496 -7.665 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.272 -8.636 11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.362 -8.551 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.458 -7.739 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.087 -9.783 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.902 -9.851 9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.445 -10.499 9.519 1.00 0.00 H new ATOM 393 N GLY A 749 -10.238 -8.675 12.460 1.00 0.00 N ATOM 394 CA GLY A 749 -11.607 -8.703 12.062 1.00 0.00 C ATOM 395 C GLY A 749 -12.161 -10.100 12.007 1.00 0.00 C ATOM 396 O GLY A 749 -11.406 -11.064 12.070 1.00 0.00 O ATOM 0 H GLY A 749 -9.653 -9.418 12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.197 -8.108 12.759 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.707 -8.237 11.082 1.00 0.00 H new ATOM 400 N HIS A 750 -13.458 -10.208 11.854 1.00 0.00 N ATOM 401 CA HIS A 750 -14.115 -11.499 11.763 1.00 0.00 C ATOM 402 C HIS A 750 -14.037 -12.042 10.344 1.00 0.00 C ATOM 403 O HIS A 750 -13.181 -12.868 10.045 1.00 0.00 O ATOM 404 CB HIS A 750 -15.568 -11.421 12.251 1.00 0.00 C ATOM 405 CG HIS A 750 -15.706 -11.187 13.718 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.559 -9.946 14.295 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.951 -12.040 14.734 1.00 0.00 C ATOM 408 CE1 HIS A 750 -15.704 -10.054 15.600 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.943 -11.309 15.886 1.00 0.00 N ATOM 0 H HIS A 750 -14.090 -9.410 11.789 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.589 -12.192 12.419 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.077 -10.619 11.717 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.077 -12.349 11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -16.122 -13.103 14.651 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.637 -9.245 16.312 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -16.099 -11.682 16.823 1.00 0.00 H new ATOM 417 N THR A 751 -14.874 -11.547 9.458 1.00 0.00 N ATOM 418 CA THR A 751 -14.849 -12.011 8.088 1.00 0.00 C ATOM 419 C THR A 751 -14.172 -11.032 7.180 1.00 0.00 C ATOM 420 O THR A 751 -14.247 -9.818 7.397 1.00 0.00 O ATOM 421 CB THR A 751 -16.245 -12.347 7.536 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.234 -11.374 7.903 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.664 -13.741 7.905 1.00 0.00 C ATOM 0 H THR A 751 -15.573 -10.831 9.658 1.00 0.00 H new ATOM 0 HA THR A 751 -14.272 -12.935 8.110 1.00 0.00 H new ATOM 0 HB THR A 751 -16.168 -12.307 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.193 -11.214 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.655 -13.943 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.951 -14.456 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.691 -13.838 8.990 1.00 0.00 H new ATOM 431 N ASP A 752 -13.528 -11.565 6.158 1.00 0.00 N ATOM 432 CA ASP A 752 -12.800 -10.792 5.147 1.00 0.00 C ATOM 433 C ASP A 752 -13.690 -9.709 4.557 1.00 0.00 C ATOM 434 O ASP A 752 -13.244 -8.609 4.348 1.00 0.00 O ATOM 435 CB ASP A 752 -12.326 -11.731 4.012 1.00 0.00 C ATOM 436 CG ASP A 752 -11.443 -12.874 4.468 1.00 0.00 C ATOM 437 OD1 ASP A 752 -11.922 -13.752 5.215 1.00 0.00 O ATOM 438 OD2 ASP A 752 -10.260 -12.941 4.081 1.00 0.00 O ATOM 0 H ASP A 752 -13.491 -12.571 5.997 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.940 -10.324 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.201 -12.143 3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.783 -11.142 3.273 1.00 0.00 H new ATOM 443 N ALA A 753 -14.974 -10.012 4.402 1.00 0.00 N ATOM 444 CA ALA A 753 -15.955 -9.083 3.841 1.00 0.00 C ATOM 445 C ALA A 753 -16.124 -7.852 4.703 1.00 0.00 C ATOM 446 O ALA A 753 -16.204 -6.758 4.203 1.00 0.00 O ATOM 447 CB ALA A 753 -17.283 -9.762 3.619 1.00 0.00 C ATOM 0 H ALA A 753 -15.369 -10.915 4.663 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.569 -8.758 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -17.992 -9.047 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.155 -10.593 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.663 -10.137 4.569 1.00 0.00 H new ATOM 453 N GLU A 754 -16.181 -8.052 5.993 1.00 0.00 N ATOM 454 CA GLU A 754 -16.333 -6.979 6.948 1.00 0.00 C ATOM 455 C GLU A 754 -15.156 -6.037 6.925 1.00 0.00 C ATOM 456 O GLU A 754 -15.334 -4.834 6.894 1.00 0.00 O ATOM 457 CB GLU A 754 -16.448 -7.558 8.344 1.00 0.00 C ATOM 458 CG GLU A 754 -17.764 -8.162 8.719 1.00 0.00 C ATOM 459 CD GLU A 754 -17.657 -8.856 10.036 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.065 -9.950 10.088 1.00 0.00 O ATOM 461 OE2 GLU A 754 -18.148 -8.322 11.045 1.00 0.00 O ATOM 0 H GLU A 754 -16.123 -8.977 6.419 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.231 -6.424 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.679 -8.322 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.221 -6.767 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.527 -7.385 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.079 -8.869 7.952 1.00 0.00 H new ATOM 468 N ILE A 755 -13.994 -6.596 6.890 1.00 0.00 N ATOM 469 CA ILE A 755 -12.746 -5.850 6.956 1.00 0.00 C ATOM 470 C ILE A 755 -12.455 -5.201 5.597 1.00 0.00 C ATOM 471 O ILE A 755 -11.979 -4.068 5.518 1.00 0.00 O ATOM 472 CB ILE A 755 -11.629 -6.828 7.301 1.00 0.00 C ATOM 473 CG1 ILE A 755 -12.085 -7.706 8.461 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.380 -6.062 7.726 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.396 -9.038 8.510 1.00 0.00 C ATOM 0 H ILE A 755 -13.863 -7.605 6.813 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.816 -5.067 7.711 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.400 -7.438 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.906 -7.178 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -13.161 -7.865 8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.586 -6.768 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.053 -5.417 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.607 -5.453 8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.769 -9.610 9.360 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.596 -9.585 7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.322 -8.888 8.617 1.00 0.00 H new ATOM 487 N GLU A 756 -12.778 -5.916 4.540 1.00 0.00 N ATOM 488 CA GLU A 756 -12.568 -5.457 3.179 1.00 0.00 C ATOM 489 C GLU A 756 -13.411 -4.195 2.892 1.00 0.00 C ATOM 490 O GLU A 756 -12.974 -3.296 2.213 1.00 0.00 O ATOM 491 CB GLU A 756 -12.896 -6.552 2.178 1.00 0.00 C ATOM 492 CG GLU A 756 -12.452 -6.258 0.758 1.00 0.00 C ATOM 493 CD GLU A 756 -13.110 -7.166 -0.231 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.255 -6.877 -0.614 1.00 0.00 O ATOM 495 OE2 GLU A 756 -12.506 -8.185 -0.643 1.00 0.00 O ATOM 0 H GLU A 756 -13.199 -6.843 4.600 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.514 -5.201 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.428 -7.480 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -13.973 -6.719 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.686 -5.222 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.370 -6.366 0.686 1.00 0.00 H new ATOM 502 N ALA A 757 -14.645 -4.219 3.303 1.00 0.00 N ATOM 503 CA ALA A 757 -15.544 -3.077 3.161 1.00 0.00 C ATOM 504 C ALA A 757 -15.144 -1.920 4.092 1.00 0.00 C ATOM 505 O ALA A 757 -14.978 -0.766 3.642 1.00 0.00 O ATOM 506 CB ALA A 757 -16.969 -3.502 3.453 1.00 0.00 C ATOM 0 H ALA A 757 -15.073 -5.029 3.751 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.470 -2.721 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.634 -2.645 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.267 -4.282 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.033 -3.885 4.472 1.00 0.00 H new ATOM 512 N ILE A 758 -14.921 -2.240 5.378 1.00 0.00 N ATOM 513 CA ILE A 758 -14.661 -1.229 6.401 1.00 0.00 C ATOM 514 C ILE A 758 -13.483 -0.359 6.014 1.00 0.00 C ATOM 515 O ILE A 758 -13.554 0.867 6.102 1.00 0.00 O ATOM 516 CB ILE A 758 -14.467 -1.843 7.851 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.445 -0.744 8.948 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.213 -2.688 7.960 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.064 -0.146 9.262 1.00 0.00 C ATOM 0 H ILE A 758 -14.917 -3.198 5.729 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.554 -0.606 6.452 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.330 -2.488 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.109 0.064 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.856 -1.164 9.866 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.128 -3.084 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.268 -3.514 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.340 -2.075 7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.163 0.610 10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.395 -0.935 9.606 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.653 0.311 8.362 1.00 0.00 H new ATOM 531 N PHE A 759 -12.419 -0.994 5.532 1.00 0.00 N ATOM 532 CA PHE A 759 -11.223 -0.275 5.200 1.00 0.00 C ATOM 533 C PHE A 759 -11.468 0.669 4.013 1.00 0.00 C ATOM 534 O PHE A 759 -10.952 1.735 3.963 1.00 0.00 O ATOM 535 CB PHE A 759 -10.036 -1.260 4.910 1.00 0.00 C ATOM 536 CG PHE A 759 -9.912 -1.836 3.477 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.590 -1.023 2.383 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.094 -3.173 3.241 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.483 -1.543 1.119 1.00 0.00 C ATOM 540 CE2 PHE A 759 -9.974 -3.697 1.961 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.675 -2.880 0.907 1.00 0.00 C ATOM 0 H PHE A 759 -12.373 -2.000 5.368 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.942 0.334 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.106 -0.743 5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.119 -2.098 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.423 0.033 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.335 -3.830 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.246 -0.895 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.118 -4.755 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.591 -3.289 -0.089 1.00 0.00 H new ATOM 551 N THR A 760 -12.327 0.292 3.133 1.00 0.00 N ATOM 552 CA THR A 760 -12.560 1.058 1.929 1.00 0.00 C ATOM 553 C THR A 760 -13.028 2.474 2.296 1.00 0.00 C ATOM 554 O THR A 760 -12.660 3.463 1.656 1.00 0.00 O ATOM 555 CB THR A 760 -13.567 0.332 1.009 1.00 0.00 C ATOM 556 OG1 THR A 760 -13.025 -0.963 0.637 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.846 1.136 -0.249 1.00 0.00 C ATOM 0 H THR A 760 -12.894 -0.552 3.214 1.00 0.00 H new ATOM 0 HA THR A 760 -11.628 1.149 1.371 1.00 0.00 H new ATOM 0 HB THR A 760 -14.504 0.212 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.141 -1.592 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.558 0.598 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.263 2.105 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.917 1.283 -0.800 1.00 0.00 H new ATOM 565 N LYS A 761 -13.806 2.561 3.353 1.00 0.00 N ATOM 566 CA LYS A 761 -14.245 3.860 3.808 1.00 0.00 C ATOM 567 C LYS A 761 -13.320 4.418 4.919 1.00 0.00 C ATOM 568 O LYS A 761 -12.892 5.571 4.856 1.00 0.00 O ATOM 569 CB LYS A 761 -15.705 3.845 4.257 1.00 0.00 C ATOM 570 CG LYS A 761 -16.368 5.243 4.240 1.00 0.00 C ATOM 571 CD LYS A 761 -17.861 5.202 4.545 1.00 0.00 C ATOM 572 CE LYS A 761 -18.454 6.604 4.521 1.00 0.00 C ATOM 573 NZ LYS A 761 -17.821 7.499 5.525 1.00 0.00 N ATOM 0 H LYS A 761 -14.140 1.769 3.901 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.178 4.534 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.270 3.175 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.763 3.436 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -15.872 5.882 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.216 5.699 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.370 4.574 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.025 4.749 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.330 7.032 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -19.526 6.547 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -18.409 8.347 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -17.734 6.997 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -16.877 7.780 5.193 1.00 0.00 H new ATOM 587 N TYR A 762 -12.953 3.577 5.893 1.00 0.00 N ATOM 588 CA TYR A 762 -12.219 4.042 7.075 1.00 0.00 C ATOM 589 C TYR A 762 -10.693 3.929 6.982 1.00 0.00 C ATOM 590 O TYR A 762 -9.992 4.627 7.719 1.00 0.00 O ATOM 591 CB TYR A 762 -12.714 3.328 8.333 1.00 0.00 C ATOM 592 CG TYR A 762 -14.022 3.846 8.920 1.00 0.00 C ATOM 593 CD1 TYR A 762 -14.005 4.932 9.764 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.259 3.237 8.669 1.00 0.00 C ATOM 595 CE1 TYR A 762 -15.159 5.409 10.348 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.420 3.719 9.254 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.358 4.798 10.091 1.00 0.00 C ATOM 598 OH TYR A 762 -17.510 5.270 10.677 1.00 0.00 O ATOM 0 H TYR A 762 -13.151 2.576 5.886 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.432 5.110 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.835 2.269 8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.941 3.402 9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -13.066 5.422 9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.309 2.382 8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -15.118 6.263 11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.368 3.244 9.049 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.271 4.724 10.388 1.00 0.00 H new ATOM 608 N ASP A 763 -10.182 3.073 6.110 1.00 0.00 N ATOM 609 CA ASP A 763 -8.705 2.883 5.940 1.00 0.00 C ATOM 610 C ASP A 763 -8.030 4.141 5.450 1.00 0.00 C ATOM 611 O ASP A 763 -8.683 5.006 4.842 1.00 0.00 O ATOM 612 CB ASP A 763 -8.358 1.759 4.970 1.00 0.00 C ATOM 613 CG ASP A 763 -6.869 1.471 4.960 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.343 0.988 5.981 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.207 1.874 3.965 1.00 0.00 O ATOM 0 H ASP A 763 -10.749 2.487 5.497 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.341 2.622 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.902 0.856 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.684 2.031 3.966 1.00 0.00 H new ATOM 620 N GLN A 764 -6.738 4.256 5.733 1.00 0.00 N ATOM 621 CA GLN A 764 -5.940 5.391 5.329 1.00 0.00 C ATOM 622 C GLN A 764 -6.052 5.641 3.824 1.00 0.00 C ATOM 623 O GLN A 764 -6.255 6.781 3.399 1.00 0.00 O ATOM 624 CB GLN A 764 -4.438 5.237 5.696 1.00 0.00 C ATOM 625 CG GLN A 764 -4.118 4.960 7.170 1.00 0.00 C ATOM 626 CD GLN A 764 -4.324 3.504 7.600 1.00 0.00 C ATOM 627 OE1 GLN A 764 -4.709 3.226 8.734 1.00 0.00 O ATOM 628 NE2 GLN A 764 -3.960 2.578 6.757 1.00 0.00 N ATOM 0 H GLN A 764 -6.216 3.552 6.255 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.342 6.241 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.022 4.426 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -3.919 6.149 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -3.082 5.240 7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -4.743 5.601 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -3.644 2.835 5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -3.991 1.596 7.033 1.00 0.00 H new ATOM 637 N ASP A 765 -5.933 4.598 3.009 1.00 0.00 N ATOM 638 CA ASP A 765 -6.032 4.811 1.587 1.00 0.00 C ATOM 639 C ASP A 765 -7.284 4.267 0.980 1.00 0.00 C ATOM 640 O ASP A 765 -7.635 4.656 -0.126 1.00 0.00 O ATOM 641 CB ASP A 765 -4.822 4.236 0.861 1.00 0.00 C ATOM 642 CG ASP A 765 -3.663 5.191 0.799 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.781 6.241 0.110 1.00 0.00 O ATOM 644 OD2 ASP A 765 -2.619 4.923 1.429 1.00 0.00 O ATOM 0 H ASP A 765 -5.774 3.634 3.302 1.00 0.00 H new ATOM 0 HA ASP A 765 -6.062 5.893 1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -4.505 3.322 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -5.112 3.959 -0.153 1.00 0.00 H new ATOM 649 N GLY A 766 -8.033 3.465 1.732 1.00 0.00 N ATOM 650 CA GLY A 766 -9.242 2.819 1.182 1.00 0.00 C ATOM 651 C GLY A 766 -8.914 1.926 -0.021 1.00 0.00 C ATOM 652 O GLY A 766 -9.801 1.507 -0.768 1.00 0.00 O ATOM 0 H GLY A 766 -7.837 3.244 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.720 2.222 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.958 3.584 0.882 1.00 0.00 H new ATOM 656 N ASP A 767 -7.642 1.644 -0.190 1.00 0.00 N ATOM 657 CA ASP A 767 -7.145 0.864 -1.296 1.00 0.00 C ATOM 658 C ASP A 767 -6.872 -0.527 -0.845 1.00 0.00 C ATOM 659 O ASP A 767 -7.575 -1.441 -1.256 1.00 0.00 O ATOM 660 CB ASP A 767 -5.892 1.500 -1.918 1.00 0.00 C ATOM 661 CG ASP A 767 -6.187 2.610 -2.889 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.459 3.724 -2.469 1.00 0.00 O ATOM 663 OD2 ASP A 767 -6.080 2.398 -4.110 1.00 0.00 O ATOM 0 H ASP A 767 -6.912 1.957 0.450 1.00 0.00 H new ATOM 0 HA ASP A 767 -7.909 0.841 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.260 1.888 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.320 0.726 -2.430 1.00 0.00 H new ATOM 668 N GLN A 768 -5.838 -0.662 0.003 1.00 0.00 N ATOM 669 CA GLN A 768 -5.462 -1.906 0.704 1.00 0.00 C ATOM 670 C GLN A 768 -5.566 -3.127 -0.206 1.00 0.00 C ATOM 671 O GLN A 768 -6.535 -3.872 -0.128 1.00 0.00 O ATOM 672 CB GLN A 768 -6.352 -2.072 1.947 1.00 0.00 C ATOM 673 CG GLN A 768 -5.698 -2.596 3.157 1.00 0.00 C ATOM 674 CD GLN A 768 -6.695 -2.692 4.303 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.896 -1.756 5.042 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.269 -3.843 4.503 1.00 0.00 N ATOM 0 H GLN A 768 -5.219 0.117 0.228 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.418 -1.830 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.787 -1.102 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.177 -2.737 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.275 -3.579 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.870 -1.946 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.087 -4.621 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.901 -3.967 5.294 1.00 0.00 H new ATOM 685 N GLU A 769 -4.527 -3.341 -1.027 1.00 0.00 N ATOM 686 CA GLU A 769 -4.441 -4.448 -2.050 1.00 0.00 C ATOM 687 C GLU A 769 -3.449 -4.044 -3.175 1.00 0.00 C ATOM 688 O GLU A 769 -3.461 -4.619 -4.262 1.00 0.00 O ATOM 689 CB GLU A 769 -5.817 -4.839 -2.712 1.00 0.00 C ATOM 690 CG GLU A 769 -6.420 -3.819 -3.702 1.00 0.00 C ATOM 691 CD GLU A 769 -7.574 -4.372 -4.477 1.00 0.00 C ATOM 692 OE1 GLU A 769 -7.390 -5.364 -5.205 1.00 0.00 O ATOM 693 OE2 GLU A 769 -8.685 -3.798 -4.413 1.00 0.00 O ATOM 0 H GLU A 769 -3.696 -2.750 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.098 -5.325 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.687 -5.786 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.542 -5.011 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.748 -2.937 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.646 -3.493 -4.396 1.00 0.00 H new ATOM 700 N LEU A 770 -2.538 -3.144 -2.884 1.00 0.00 N ATOM 701 CA LEU A 770 -1.698 -2.581 -3.923 1.00 0.00 C ATOM 702 C LEU A 770 -0.212 -2.923 -3.691 1.00 0.00 C ATOM 703 O LEU A 770 0.314 -2.714 -2.589 1.00 0.00 O ATOM 704 CB LEU A 770 -1.891 -1.039 -3.992 1.00 0.00 C ATOM 705 CG LEU A 770 -3.099 -0.449 -4.747 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.418 -0.834 -4.106 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.977 1.059 -4.813 1.00 0.00 C ATOM 0 H LEU A 770 -2.358 -2.787 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.998 -3.022 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.938 -0.671 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.991 -0.619 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.092 -0.865 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.240 -0.395 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.518 -1.919 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.446 -0.464 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.833 1.470 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -2.950 1.466 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -2.059 1.327 -5.337 1.00 0.00 H new ATOM 719 N THR A 771 0.465 -3.450 -4.708 1.00 0.00 N ATOM 720 CA THR A 771 1.847 -3.802 -4.581 1.00 0.00 C ATOM 721 C THR A 771 2.718 -2.564 -4.827 1.00 0.00 C ATOM 722 O THR A 771 2.207 -1.512 -5.253 1.00 0.00 O ATOM 723 CB THR A 771 2.265 -4.929 -5.565 1.00 0.00 C ATOM 724 OG1 THR A 771 2.575 -4.417 -6.848 1.00 0.00 O ATOM 725 CG2 THR A 771 1.155 -5.914 -5.715 1.00 0.00 C ATOM 0 H THR A 771 0.063 -3.637 -5.627 1.00 0.00 H new ATOM 0 HA THR A 771 1.994 -4.178 -3.568 1.00 0.00 H new ATOM 0 HB THR A 771 3.152 -5.406 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.835 -5.153 -7.440 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.457 -6.700 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.925 -6.353 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.271 -5.409 -6.104 1.00 0.00 H new ATOM 733 N GLU A 772 4.022 -2.682 -4.548 1.00 0.00 N ATOM 734 CA GLU A 772 4.977 -1.631 -4.750 1.00 0.00 C ATOM 735 C GLU A 772 4.951 -1.212 -6.208 1.00 0.00 C ATOM 736 O GLU A 772 4.989 -0.029 -6.521 1.00 0.00 O ATOM 737 CB GLU A 772 6.365 -2.118 -4.298 1.00 0.00 C ATOM 738 CG GLU A 772 7.393 -1.023 -4.078 1.00 0.00 C ATOM 739 CD GLU A 772 7.935 -0.444 -5.363 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.497 -1.211 -6.190 1.00 0.00 O ATOM 741 OE2 GLU A 772 7.823 0.774 -5.562 1.00 0.00 O ATOM 0 H GLU A 772 4.432 -3.535 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 772 4.728 -0.754 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.251 -2.679 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.750 -2.812 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 772 6.942 -0.224 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.220 -1.423 -3.491 1.00 0.00 H new ATOM 748 N HIS A 773 4.758 -2.195 -7.091 1.00 0.00 N ATOM 749 CA HIS A 773 4.774 -1.920 -8.523 1.00 0.00 C ATOM 750 C HIS A 773 3.562 -1.091 -8.935 1.00 0.00 C ATOM 751 O HIS A 773 3.660 -0.226 -9.804 1.00 0.00 O ATOM 752 CB HIS A 773 4.862 -3.210 -9.344 1.00 0.00 C ATOM 753 CG HIS A 773 6.012 -4.086 -8.942 1.00 0.00 C ATOM 754 ND1 HIS A 773 5.849 -5.332 -8.375 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.346 -3.881 -9.015 1.00 0.00 C ATOM 756 CE1 HIS A 773 7.045 -5.851 -8.118 1.00 0.00 C ATOM 757 NE2 HIS A 773 7.960 -4.989 -8.498 1.00 0.00 N ATOM 0 H HIS A 773 4.592 -3.170 -6.843 1.00 0.00 H new ATOM 0 HA HIS A 773 5.670 -1.336 -8.734 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.932 -3.768 -9.234 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.958 -2.956 -10.400 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.837 -3.004 -9.409 1.00 0.00 H new ATOM 0 HE1 HIS A 773 7.233 -6.817 -7.673 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.968 -5.124 -8.420 1.00 0.00 H new ATOM 765 N GLU A 774 2.431 -1.325 -8.295 1.00 0.00 N ATOM 766 CA GLU A 774 1.214 -0.535 -8.617 1.00 0.00 C ATOM 767 C GLU A 774 1.275 0.867 -7.935 1.00 0.00 C ATOM 768 O GLU A 774 0.874 1.890 -8.516 1.00 0.00 O ATOM 769 CB GLU A 774 -0.038 -1.296 -8.188 1.00 0.00 C ATOM 770 CG GLU A 774 -0.056 -2.744 -8.673 1.00 0.00 C ATOM 771 CD GLU A 774 -1.216 -3.528 -8.114 1.00 0.00 C ATOM 772 OE1 GLU A 774 -1.180 -3.888 -6.926 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.195 -3.812 -8.851 1.00 0.00 O ATOM 0 H GLU A 774 2.310 -2.030 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 774 1.170 -0.383 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -0.109 -1.283 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.918 -0.780 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.104 -2.758 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.877 -3.230 -8.389 1.00 0.00 H new