USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 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= -8.95! C(o=-9!,f=-13!) USER MOD Single : A 735 LYS NZ :NH3+ -155:sc= 1.31 (180deg=1.07) USER MOD Single : A 737 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.82) USER MOD Single : A 743 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.8!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ 136:sc= -1.06 (180deg=-3.58!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 751 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 760 THR OG1 : rot 71:sc= 0.885 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -2.5! K(o=-2.5!,f=-0.59) USER MOD Single : A 768 GLN : amide:sc= -5.39! C(o=-5.4!,f=-4.9!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.0621 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.861 -8.111 4.554 1.00 0.00 N ATOM 88 CA ARG A 730 7.365 -8.301 3.182 1.00 0.00 C ATOM 89 C ARG A 730 6.217 -7.323 2.921 1.00 0.00 C ATOM 90 O ARG A 730 6.130 -6.678 1.876 1.00 0.00 O ATOM 91 CB ARG A 730 6.912 -9.758 2.888 1.00 0.00 C ATOM 92 CG ARG A 730 7.181 -10.766 3.993 1.00 0.00 C ATOM 93 CD ARG A 730 6.731 -12.164 3.586 1.00 0.00 C ATOM 94 NE ARG A 730 6.917 -13.147 4.663 1.00 0.00 N ATOM 95 CZ ARG A 730 6.414 -14.396 4.677 1.00 0.00 C ATOM 96 NH1 ARG A 730 5.650 -14.830 3.681 1.00 0.00 N ATOM 97 NH2 ARG A 730 6.671 -15.196 5.695 1.00 0.00 N ATOM 0 HA ARG A 730 8.196 -8.101 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 730 5.842 -9.752 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 730 7.411 -10.098 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 730 8.246 -10.778 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 730 6.659 -10.463 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.679 -12.136 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 730 7.291 -12.482 2.707 1.00 0.00 H new ATOM 0 HE ARG A 730 7.474 -12.859 5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 730 5.439 -14.215 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 730 5.274 -15.778 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 730 7.249 -14.868 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 730 6.291 -16.143 5.708 1.00 0.00 H new ATOM 111 N GLN A 731 5.351 -7.235 3.897 1.00 0.00 N ATOM 112 CA GLN A 731 4.231 -6.321 3.895 1.00 0.00 C ATOM 113 C GLN A 731 4.675 -4.987 4.435 1.00 0.00 C ATOM 114 O GLN A 731 4.622 -3.984 3.744 1.00 0.00 O ATOM 115 CB GLN A 731 3.112 -6.904 4.765 1.00 0.00 C ATOM 116 CG GLN A 731 1.959 -5.968 5.104 1.00 0.00 C ATOM 117 CD GLN A 731 1.295 -5.301 3.909 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.791 -4.211 4.023 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.216 -5.974 2.788 1.00 0.00 N ATOM 0 H GLN A 731 5.404 -7.810 4.738 1.00 0.00 H new ATOM 0 HA GLN A 731 3.859 -6.182 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.704 -7.778 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.553 -7.255 5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.204 -6.531 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.327 -5.192 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.650 -6.894 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.721 -5.578 1.989 1.00 0.00 H new ATOM 128 N GLY A 732 5.177 -5.018 5.661 1.00 0.00 N ATOM 129 CA GLY A 732 5.612 -3.825 6.361 1.00 0.00 C ATOM 130 C GLY A 732 6.774 -3.085 5.716 1.00 0.00 C ATOM 131 O GLY A 732 7.195 -2.043 6.218 1.00 0.00 O ATOM 0 H GLY A 732 5.293 -5.877 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 732 4.767 -3.142 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 732 5.897 -4.102 7.376 1.00 0.00 H new ATOM 135 N GLY A 733 7.305 -3.629 4.652 1.00 0.00 N ATOM 136 CA GLY A 733 8.386 -2.995 3.977 1.00 0.00 C ATOM 137 C GLY A 733 8.319 -3.204 2.499 1.00 0.00 C ATOM 138 O GLY A 733 9.246 -3.766 1.899 1.00 0.00 O ATOM 0 H GLY A 733 7.000 -4.511 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.373 -1.927 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.330 -3.386 4.357 1.00 0.00 H new ATOM 142 N GLY A 734 7.241 -2.795 1.896 1.00 0.00 N ATOM 143 CA GLY A 734 7.138 -2.924 0.480 1.00 0.00 C ATOM 144 C GLY A 734 5.837 -2.429 -0.065 1.00 0.00 C ATOM 145 O GLY A 734 5.791 -1.406 -0.759 1.00 0.00 O ATOM 0 H GLY A 734 6.434 -2.376 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.954 -2.373 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.263 -3.972 0.207 1.00 0.00 H new ATOM 149 N LYS A 735 4.771 -3.109 0.273 1.00 0.00 N ATOM 150 CA LYS A 735 3.484 -2.804 -0.306 1.00 0.00 C ATOM 151 C LYS A 735 2.387 -3.156 0.667 1.00 0.00 C ATOM 152 O LYS A 735 2.624 -3.936 1.550 1.00 0.00 O ATOM 153 CB LYS A 735 3.286 -3.580 -1.633 1.00 0.00 C ATOM 154 CG LYS A 735 2.888 -5.086 -1.554 1.00 0.00 C ATOM 155 CD LYS A 735 3.879 -5.995 -0.795 1.00 0.00 C ATOM 156 CE LYS A 735 5.235 -6.102 -1.493 1.00 0.00 C ATOM 157 NZ LYS A 735 6.118 -7.097 -0.834 1.00 0.00 N ATOM 0 H LYS A 735 4.767 -3.877 0.945 1.00 0.00 H new ATOM 0 HA LYS A 735 3.443 -1.736 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.519 -3.063 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.214 -3.510 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.912 -5.162 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.775 -5.468 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.024 -5.606 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.448 -6.991 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.086 -6.383 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.722 -5.127 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.112 -6.861 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.953 -7.082 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.909 -8.046 -1.204 1.00 0.00 H new ATOM 171 N LEU A 736 1.181 -2.620 0.474 1.00 0.00 N ATOM 172 CA LEU A 736 0.066 -2.936 1.393 1.00 0.00 C ATOM 173 C LEU A 736 -1.081 -3.504 0.608 1.00 0.00 C ATOM 174 O LEU A 736 -1.540 -2.897 -0.359 1.00 0.00 O ATOM 175 CB LEU A 736 -0.491 -1.721 2.107 1.00 0.00 C ATOM 176 CG LEU A 736 0.477 -0.642 2.544 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.284 0.637 2.837 1.00 0.00 C ATOM 178 CD2 LEU A 736 1.210 -1.088 3.785 1.00 0.00 C ATOM 0 H LEU A 736 0.946 -1.981 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 736 0.477 -3.630 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.230 -1.260 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -1.023 -2.070 2.992 1.00 0.00 H new ATOM 0 HG LEU A 736 1.197 -0.461 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 736 0.415 1.412 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.807 0.963 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -1.007 0.456 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 736 1.906 -0.309 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.493 -1.274 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 736 1.762 -2.003 3.572 1.00 0.00 H new ATOM 190 N ASN A 737 -1.602 -4.614 1.019 1.00 0.00 N ATOM 191 CA ASN A 737 -2.716 -5.236 0.279 1.00 0.00 C ATOM 192 C ASN A 737 -3.708 -5.667 1.288 1.00 0.00 C ATOM 193 O ASN A 737 -3.349 -5.834 2.232 1.00 0.00 O ATOM 194 CB ASN A 737 -2.303 -6.464 -0.614 1.00 0.00 C ATOM 195 CG ASN A 737 -1.043 -6.334 -1.498 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.394 -7.327 -1.797 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.675 -5.163 -1.882 1.00 0.00 N ATOM 0 H ASN A 737 -1.298 -5.124 1.849 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.110 -4.498 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.161 -7.321 0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.144 -6.699 -1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.169 -5.052 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -1.227 -4.345 -1.624 1.00 0.00 H new ATOM 204 N PHE A 738 -4.974 -5.705 1.063 1.00 0.00 N ATOM 205 CA PHE A 738 -5.920 -6.231 2.087 1.00 0.00 C ATOM 206 C PHE A 738 -5.396 -7.557 2.635 1.00 0.00 C ATOM 207 O PHE A 738 -5.019 -7.637 3.798 1.00 0.00 O ATOM 208 CB PHE A 738 -7.269 -6.456 1.447 1.00 0.00 C ATOM 209 CG PHE A 738 -8.278 -7.092 2.335 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.728 -6.443 3.443 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.753 -8.356 2.060 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.640 -7.029 4.274 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.666 -8.955 2.887 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.110 -8.289 4.000 1.00 0.00 C ATOM 0 H PHE A 738 -5.414 -5.390 0.198 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.012 -5.512 2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.659 -5.497 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.137 -7.080 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.360 -5.453 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.402 -8.880 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -9.992 -6.500 5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.034 -9.946 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.828 -8.755 4.659 1.00 0.00 H new ATOM 224 N ASP A 739 -5.252 -8.527 1.748 1.00 0.00 N ATOM 225 CA ASP A 739 -4.795 -9.876 2.100 1.00 0.00 C ATOM 226 C ASP A 739 -3.345 -9.885 2.544 1.00 0.00 C ATOM 227 O ASP A 739 -2.940 -10.737 3.314 1.00 0.00 O ATOM 228 CB ASP A 739 -4.958 -10.821 0.916 1.00 0.00 C ATOM 229 CG ASP A 739 -5.742 -12.059 1.262 1.00 0.00 C ATOM 230 OD1 ASP A 739 -6.989 -11.998 1.331 1.00 0.00 O ATOM 231 OD2 ASP A 739 -5.132 -13.124 1.483 1.00 0.00 O ATOM 0 H ASP A 739 -5.448 -8.408 0.754 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.413 -10.213 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -5.458 -10.295 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -3.973 -11.111 0.550 1.00 0.00 H new ATOM 236 N GLU A 740 -2.563 -8.938 2.060 1.00 0.00 N ATOM 237 CA GLU A 740 -1.149 -8.895 2.404 1.00 0.00 C ATOM 238 C GLU A 740 -0.929 -7.974 3.608 1.00 0.00 C ATOM 239 O GLU A 740 -0.066 -8.215 4.426 1.00 0.00 O ATOM 240 CB GLU A 740 -0.330 -8.424 1.205 1.00 0.00 C ATOM 241 CG GLU A 740 1.128 -8.840 1.199 1.00 0.00 C ATOM 242 CD GLU A 740 1.325 -10.251 0.739 1.00 0.00 C ATOM 243 OE1 GLU A 740 0.833 -11.185 1.376 1.00 0.00 O ATOM 244 OE2 GLU A 740 2.022 -10.453 -0.270 1.00 0.00 O ATOM 0 H GLU A 740 -2.875 -8.195 1.435 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.817 -9.898 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.800 -8.801 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.378 -7.336 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.690 -8.169 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.537 -8.729 2.203 1.00 0.00 H new ATOM 251 N LEU A 741 -1.734 -6.915 3.712 1.00 0.00 N ATOM 252 CA LEU A 741 -1.691 -5.954 4.832 1.00 0.00 C ATOM 253 C LEU A 741 -1.891 -6.692 6.109 1.00 0.00 C ATOM 254 O LEU A 741 -1.426 -6.288 7.143 1.00 0.00 O ATOM 255 CB LEU A 741 -2.794 -4.897 4.730 1.00 0.00 C ATOM 256 CG LEU A 741 -2.892 -3.935 5.884 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.060 -2.679 5.658 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.301 -3.615 6.143 1.00 0.00 C ATOM 0 H LEU A 741 -2.445 -6.692 3.016 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.723 -5.454 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.637 -4.323 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.751 -5.408 4.626 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.475 -4.418 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.162 -2.015 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.012 -2.954 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.409 -2.168 4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.368 -2.919 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.740 -3.160 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.843 -4.529 6.388 1.00 0.00 H new ATOM 270 N ARG A 742 -2.617 -7.812 6.012 1.00 0.00 N ATOM 271 CA ARG A 742 -2.848 -8.678 7.131 1.00 0.00 C ATOM 272 C ARG A 742 -1.546 -9.114 7.645 1.00 0.00 C ATOM 273 O ARG A 742 -1.403 -9.155 8.712 1.00 0.00 O ATOM 274 CB ARG A 742 -3.654 -9.929 6.804 1.00 0.00 C ATOM 275 CG ARG A 742 -4.753 -9.757 5.818 1.00 0.00 C ATOM 276 CD ARG A 742 -5.946 -8.989 6.375 1.00 0.00 C ATOM 277 NE ARG A 742 -7.192 -9.743 6.159 1.00 0.00 N ATOM 278 CZ ARG A 742 -8.049 -10.163 7.108 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.769 -9.984 8.388 1.00 0.00 N ATOM 280 NH2 ARG A 742 -9.136 -10.848 6.774 1.00 0.00 N ATOM 0 H ARG A 742 -3.054 -8.127 5.146 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.430 -8.103 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.970 -10.689 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.080 -10.315 7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.368 -9.233 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -5.086 -10.738 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -5.804 -8.808 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -6.016 -8.014 5.892 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.430 -9.970 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.900 -9.525 8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -8.422 -10.304 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -9.325 -11.058 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.782 -11.164 7.497 1.00 0.00 H new ATOM 294 N GLN A 743 -0.565 -9.335 6.822 1.00 0.00 N ATOM 295 CA GLN A 743 0.778 -9.755 7.286 1.00 0.00 C ATOM 296 C GLN A 743 1.254 -8.812 8.364 1.00 0.00 C ATOM 297 O GLN A 743 1.909 -9.201 9.331 1.00 0.00 O ATOM 298 CB GLN A 743 1.743 -9.745 6.146 1.00 0.00 C ATOM 299 CG GLN A 743 2.616 -10.983 6.010 1.00 0.00 C ATOM 300 CD GLN A 743 2.707 -11.410 4.570 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.708 -11.945 4.124 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.639 -11.244 3.862 1.00 0.00 N ATOM 0 H GLN A 743 -0.644 -9.237 5.810 1.00 0.00 H new ATOM 0 HA GLN A 743 0.717 -10.767 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.182 -9.615 5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.392 -8.875 6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.614 -10.776 6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.203 -11.794 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 743 0.821 -10.792 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.614 -11.565 2.894 1.00 0.00 H new ATOM 311 N ASP A 744 0.826 -7.587 8.223 1.00 0.00 N ATOM 312 CA ASP A 744 1.112 -6.595 9.192 1.00 0.00 C ATOM 313 C ASP A 744 0.172 -6.706 10.394 1.00 0.00 C ATOM 314 O ASP A 744 0.604 -6.745 11.539 1.00 0.00 O ATOM 315 CB ASP A 744 1.033 -5.229 8.632 1.00 0.00 C ATOM 316 CG ASP A 744 2.150 -4.397 9.239 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.352 -4.787 9.116 1.00 0.00 O ATOM 318 OD2 ASP A 744 1.854 -3.398 9.916 1.00 0.00 O ATOM 0 H ASP A 744 0.272 -7.261 7.431 1.00 0.00 H new ATOM 0 HA ASP A 744 2.137 -6.773 9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 744 1.128 -5.258 7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.064 -4.783 8.855 1.00 0.00 H new ATOM 323 N LEU A 745 -1.118 -6.766 10.101 1.00 0.00 N ATOM 324 CA LEU A 745 -2.188 -6.824 11.089 1.00 0.00 C ATOM 325 C LEU A 745 -2.992 -8.145 11.082 1.00 0.00 C ATOM 326 O LEU A 745 -4.232 -8.142 11.117 1.00 0.00 O ATOM 327 CB LEU A 745 -3.050 -5.562 10.972 1.00 0.00 C ATOM 328 CG LEU A 745 -3.271 -5.020 9.569 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.367 -5.792 8.837 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.539 -3.513 9.629 1.00 0.00 C ATOM 0 H LEU A 745 -1.461 -6.776 9.140 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.733 -6.836 12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -4.024 -5.772 11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.590 -4.777 11.572 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.364 -5.168 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.498 -5.378 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -4.083 -6.842 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.302 -5.708 9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -3.696 -3.131 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.428 -3.325 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -2.683 -3.009 10.078 1.00 0.00 H new ATOM 342 N LYS A 746 -2.261 -9.268 10.994 1.00 0.00 N ATOM 343 CA LYS A 746 -2.847 -10.613 10.953 1.00 0.00 C ATOM 344 C LYS A 746 -3.681 -10.939 12.176 1.00 0.00 C ATOM 345 O LYS A 746 -3.139 -11.155 13.275 1.00 0.00 O ATOM 346 CB LYS A 746 -1.799 -11.762 10.723 1.00 0.00 C ATOM 347 CG LYS A 746 -1.207 -11.878 9.325 1.00 0.00 C ATOM 348 CD LYS A 746 -0.739 -13.290 9.010 1.00 0.00 C ATOM 349 CE LYS A 746 -0.278 -13.390 7.565 1.00 0.00 C ATOM 350 NZ LYS A 746 0.187 -14.738 7.201 1.00 0.00 N ATOM 0 H LYS A 746 -1.242 -9.266 10.949 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.500 -10.576 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -0.980 -11.622 11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.275 -12.711 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.953 -11.573 8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.367 -11.190 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.077 -13.566 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.550 -13.996 9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -1.099 -13.105 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.528 -12.676 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.488 -14.744 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 0.989 -15.004 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.587 -15.420 7.333 1.00 0.00 H new ATOM 364 N GLY A 747 -4.977 -10.932 11.999 1.00 0.00 N ATOM 365 CA GLY A 747 -5.864 -11.350 13.035 1.00 0.00 C ATOM 366 C GLY A 747 -6.472 -10.187 13.732 1.00 0.00 C ATOM 367 O GLY A 747 -5.899 -9.675 14.698 1.00 0.00 O ATOM 0 H GLY A 747 -5.437 -10.638 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.651 -11.974 12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.322 -11.964 13.754 1.00 0.00 H new ATOM 371 N LYS A 748 -7.618 -9.739 13.261 1.00 0.00 N ATOM 372 CA LYS A 748 -8.262 -8.622 13.908 1.00 0.00 C ATOM 373 C LYS A 748 -9.763 -8.568 13.672 1.00 0.00 C ATOM 374 O LYS A 748 -10.535 -8.243 14.574 1.00 0.00 O ATOM 375 CB LYS A 748 -7.607 -7.274 13.588 1.00 0.00 C ATOM 376 CG LYS A 748 -8.064 -6.631 12.323 1.00 0.00 C ATOM 377 CD LYS A 748 -7.670 -7.316 11.091 1.00 0.00 C ATOM 378 CE LYS A 748 -8.566 -6.812 10.081 1.00 0.00 C ATOM 379 NZ LYS A 748 -8.452 -5.325 9.962 1.00 0.00 N ATOM 0 H LYS A 748 -8.110 -10.121 12.453 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.113 -8.806 14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -7.799 -6.590 14.415 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.528 -7.416 13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.151 -6.557 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.676 -5.613 12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.631 -7.106 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.760 -8.397 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -8.338 -7.276 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -9.592 -7.084 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.428 -5.058 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -9.271 -4.876 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -7.578 -5.006 10.426 1.00 0.00 H new ATOM 393 N GLY A 749 -10.167 -8.908 12.483 1.00 0.00 N ATOM 394 CA GLY A 749 -11.534 -8.795 12.127 1.00 0.00 C ATOM 395 C GLY A 749 -12.154 -10.153 12.054 1.00 0.00 C ATOM 396 O GLY A 749 -11.468 -11.151 12.287 1.00 0.00 O ATOM 0 H GLY A 749 -9.559 -9.267 11.747 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.061 -8.184 12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.628 -8.290 11.165 1.00 0.00 H new ATOM 400 N HIS A 750 -13.406 -10.218 11.744 1.00 0.00 N ATOM 401 CA HIS A 750 -14.106 -11.499 11.714 1.00 0.00 C ATOM 402 C HIS A 750 -14.041 -12.127 10.331 1.00 0.00 C ATOM 403 O HIS A 750 -13.264 -13.052 10.095 1.00 0.00 O ATOM 404 CB HIS A 750 -15.567 -11.369 12.179 1.00 0.00 C ATOM 405 CG HIS A 750 -15.749 -10.901 13.581 1.00 0.00 C ATOM 406 ND1 HIS A 750 -16.320 -9.688 13.899 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.476 -11.495 14.754 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.384 -9.566 15.207 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.880 -10.648 15.740 1.00 0.00 N ATOM 0 H HIS A 750 -13.982 -9.411 11.505 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.594 -12.156 12.417 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.083 -10.678 11.513 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.053 -12.339 12.071 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.020 -12.465 14.890 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -16.783 -8.720 15.746 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -15.802 -10.830 16.741 1.00 0.00 H new ATOM 417 N THR A 751 -14.827 -11.626 9.423 1.00 0.00 N ATOM 418 CA THR A 751 -14.840 -12.138 8.068 1.00 0.00 C ATOM 419 C THR A 751 -14.143 -11.107 7.173 1.00 0.00 C ATOM 420 O THR A 751 -14.208 -9.900 7.469 1.00 0.00 O ATOM 421 CB THR A 751 -16.307 -12.331 7.614 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.158 -12.386 8.776 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.488 -13.638 6.852 1.00 0.00 C ATOM 0 H THR A 751 -15.475 -10.857 9.591 1.00 0.00 H new ATOM 0 HA THR A 751 -14.325 -13.097 8.006 1.00 0.00 H new ATOM 0 HB THR A 751 -16.566 -11.495 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.493 -11.488 8.979 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.530 -13.741 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.851 -13.635 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.213 -14.475 7.494 1.00 0.00 H new ATOM 431 N ASP A 752 -13.475 -11.563 6.109 1.00 0.00 N ATOM 432 CA ASP A 752 -12.747 -10.670 5.179 1.00 0.00 C ATOM 433 C ASP A 752 -13.657 -9.594 4.639 1.00 0.00 C ATOM 434 O ASP A 752 -13.246 -8.468 4.511 1.00 0.00 O ATOM 435 CB ASP A 752 -12.117 -11.448 4.000 1.00 0.00 C ATOM 436 CG ASP A 752 -10.983 -12.349 4.406 1.00 0.00 C ATOM 437 OD1 ASP A 752 -9.818 -11.896 4.423 1.00 0.00 O ATOM 438 OD2 ASP A 752 -11.224 -13.537 4.701 1.00 0.00 O ATOM 0 H ASP A 752 -13.419 -12.551 5.862 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.943 -10.210 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.890 -12.046 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.756 -10.736 3.258 1.00 0.00 H new ATOM 443 N ALA A 753 -14.919 -9.941 4.415 1.00 0.00 N ATOM 444 CA ALA A 753 -15.925 -9.004 3.891 1.00 0.00 C ATOM 445 C ALA A 753 -16.106 -7.795 4.775 1.00 0.00 C ATOM 446 O ALA A 753 -16.230 -6.694 4.299 1.00 0.00 O ATOM 447 CB ALA A 753 -17.251 -9.676 3.614 1.00 0.00 C ATOM 0 H ALA A 753 -15.281 -10.879 4.589 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.532 -8.652 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -17.958 -8.941 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.111 -10.466 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.641 -10.106 4.537 1.00 0.00 H new ATOM 453 N GLU A 754 -16.144 -8.027 6.051 1.00 0.00 N ATOM 454 CA GLU A 754 -16.291 -6.981 7.043 1.00 0.00 C ATOM 455 C GLU A 754 -15.111 -6.038 7.042 1.00 0.00 C ATOM 456 O GLU A 754 -15.269 -4.835 7.089 1.00 0.00 O ATOM 457 CB GLU A 754 -16.393 -7.624 8.408 1.00 0.00 C ATOM 458 CG GLU A 754 -17.734 -8.180 8.776 1.00 0.00 C ATOM 459 CD GLU A 754 -17.645 -8.950 10.046 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.317 -10.145 9.991 1.00 0.00 O ATOM 461 OE2 GLU A 754 -17.869 -8.377 11.126 1.00 0.00 O ATOM 0 H GLU A 754 -16.073 -8.963 6.450 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.186 -6.407 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.661 -8.430 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.111 -6.885 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.454 -7.369 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.099 -8.825 7.977 1.00 0.00 H new ATOM 468 N ILE A 755 -13.950 -6.596 6.968 1.00 0.00 N ATOM 469 CA ILE A 755 -12.707 -5.846 7.028 1.00 0.00 C ATOM 470 C ILE A 755 -12.441 -5.150 5.707 1.00 0.00 C ATOM 471 O ILE A 755 -11.973 -4.010 5.661 1.00 0.00 O ATOM 472 CB ILE A 755 -11.582 -6.819 7.312 1.00 0.00 C ATOM 473 CG1 ILE A 755 -11.955 -7.638 8.544 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.283 -6.093 7.544 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.026 -8.757 8.799 1.00 0.00 C ATOM 0 H ILE A 755 -13.819 -7.602 6.862 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.775 -5.090 7.811 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.443 -7.473 6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.974 -6.984 9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -12.964 -8.032 8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.493 -6.816 7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.027 -5.513 6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.388 -5.423 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.346 -9.300 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.025 -9.431 7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.020 -8.367 8.955 1.00 0.00 H new ATOM 487 N GLU A 756 -12.761 -5.832 4.656 1.00 0.00 N ATOM 488 CA GLU A 756 -12.561 -5.347 3.311 1.00 0.00 C ATOM 489 C GLU A 756 -13.409 -4.085 3.059 1.00 0.00 C ATOM 490 O GLU A 756 -12.972 -3.162 2.426 1.00 0.00 O ATOM 491 CB GLU A 756 -12.870 -6.428 2.280 1.00 0.00 C ATOM 492 CG GLU A 756 -12.424 -6.117 0.861 1.00 0.00 C ATOM 493 CD GLU A 756 -12.878 -7.160 -0.123 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.059 -7.159 -0.502 1.00 0.00 O ATOM 495 OE2 GLU A 756 -12.054 -7.992 -0.563 1.00 0.00 O ATOM 0 H GLU A 756 -13.178 -6.762 4.699 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.510 -5.081 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.395 -7.356 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -13.945 -6.606 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.818 -5.145 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.337 -6.043 0.832 1.00 0.00 H new ATOM 502 N ALA A 757 -14.640 -4.125 3.468 1.00 0.00 N ATOM 503 CA ALA A 757 -15.541 -2.984 3.358 1.00 0.00 C ATOM 504 C ALA A 757 -15.144 -1.852 4.314 1.00 0.00 C ATOM 505 O ALA A 757 -15.002 -0.676 3.893 1.00 0.00 O ATOM 506 CB ALA A 757 -16.956 -3.419 3.660 1.00 0.00 C ATOM 0 H ALA A 757 -15.065 -4.949 3.893 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.473 -2.606 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.625 -2.563 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.260 -4.188 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.005 -3.821 4.672 1.00 0.00 H new ATOM 512 N ILE A 758 -14.923 -2.203 5.580 1.00 0.00 N ATOM 513 CA ILE A 758 -14.667 -1.231 6.638 1.00 0.00 C ATOM 514 C ILE A 758 -13.487 -0.331 6.271 1.00 0.00 C ATOM 515 O ILE A 758 -13.575 0.899 6.380 1.00 0.00 O ATOM 516 CB ILE A 758 -14.465 -1.920 8.054 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.549 -0.907 9.215 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.138 -2.671 8.151 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.293 -0.105 9.480 1.00 0.00 C ATOM 0 H ILE A 758 -14.917 -3.172 5.900 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.554 -0.604 6.728 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.284 -2.634 8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.364 -0.213 9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.812 -1.446 10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.048 -3.124 9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.104 -3.450 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.314 -1.975 7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.464 0.574 10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.474 -0.782 9.725 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -13.035 0.471 8.591 1.00 0.00 H new ATOM 531 N PHE A 759 -12.416 -0.941 5.766 1.00 0.00 N ATOM 532 CA PHE A 759 -11.219 -0.217 5.454 1.00 0.00 C ATOM 533 C PHE A 759 -11.467 0.751 4.287 1.00 0.00 C ATOM 534 O PHE A 759 -10.939 1.817 4.245 1.00 0.00 O ATOM 535 CB PHE A 759 -10.026 -1.196 5.141 1.00 0.00 C ATOM 536 CG PHE A 759 -9.901 -1.724 3.692 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.574 -0.880 2.627 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.097 -3.050 3.413 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.471 -1.360 1.346 1.00 0.00 C ATOM 540 CE2 PHE A 759 -9.983 -3.533 2.117 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.677 -2.688 1.091 1.00 0.00 C ATOM 0 H PHE A 759 -12.369 -1.941 5.569 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.937 0.369 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.096 -0.687 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.111 -2.055 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.399 0.169 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.344 -3.731 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.227 -0.688 0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.137 -4.584 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.598 -3.066 0.082 1.00 0.00 H new ATOM 551 N THR A 760 -12.332 0.396 3.407 1.00 0.00 N ATOM 552 CA THR A 760 -12.573 1.181 2.216 1.00 0.00 C ATOM 553 C THR A 760 -13.022 2.591 2.627 1.00 0.00 C ATOM 554 O THR A 760 -12.611 3.599 2.041 1.00 0.00 O ATOM 555 CB THR A 760 -13.630 0.497 1.316 1.00 0.00 C ATOM 556 OG1 THR A 760 -13.197 -0.847 0.965 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.858 1.290 0.050 1.00 0.00 C ATOM 0 H THR A 760 -12.902 -0.447 3.478 1.00 0.00 H new ATOM 0 HA THR A 760 -11.653 1.257 1.637 1.00 0.00 H new ATOM 0 HB THR A 760 -14.564 0.449 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.247 -1.424 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.605 0.788 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.211 2.289 0.305 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.923 1.366 -0.505 1.00 0.00 H new ATOM 565 N LYS A 761 -13.790 2.640 3.696 1.00 0.00 N ATOM 566 CA LYS A 761 -14.273 3.903 4.201 1.00 0.00 C ATOM 567 C LYS A 761 -13.337 4.462 5.306 1.00 0.00 C ATOM 568 O LYS A 761 -12.939 5.623 5.259 1.00 0.00 O ATOM 569 CB LYS A 761 -15.707 3.742 4.711 1.00 0.00 C ATOM 570 CG LYS A 761 -16.526 5.049 4.843 1.00 0.00 C ATOM 571 CD LYS A 761 -17.965 4.754 5.232 1.00 0.00 C ATOM 572 CE LYS A 761 -18.049 4.002 6.553 1.00 0.00 C ATOM 573 NZ LYS A 761 -19.434 3.705 6.941 1.00 0.00 N ATOM 0 H LYS A 761 -14.090 1.823 4.228 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.274 4.629 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.238 3.069 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.673 3.257 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -16.068 5.695 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.505 5.592 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.520 5.689 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.441 4.165 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -17.489 3.070 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -17.574 4.594 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -19.439 3.193 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -19.964 4.594 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -19.881 3.118 6.209 1.00 0.00 H new ATOM 587 N TYR A 762 -12.945 3.618 6.262 1.00 0.00 N ATOM 588 CA TYR A 762 -12.171 4.083 7.426 1.00 0.00 C ATOM 589 C TYR A 762 -10.646 3.935 7.314 1.00 0.00 C ATOM 590 O TYR A 762 -9.919 4.535 8.107 1.00 0.00 O ATOM 591 CB TYR A 762 -12.646 3.420 8.701 1.00 0.00 C ATOM 592 CG TYR A 762 -13.827 4.074 9.392 1.00 0.00 C ATOM 593 CD1 TYR A 762 -15.145 3.775 9.058 1.00 0.00 C ATOM 594 CD2 TYR A 762 -13.606 4.952 10.437 1.00 0.00 C ATOM 595 CE1 TYR A 762 -16.200 4.341 9.760 1.00 0.00 C ATOM 596 CE2 TYR A 762 -14.649 5.526 11.122 1.00 0.00 C ATOM 597 CZ TYR A 762 -15.942 5.209 10.784 1.00 0.00 C ATOM 598 OH TYR A 762 -16.990 5.753 11.499 1.00 0.00 O ATOM 0 H TYR A 762 -13.146 2.618 6.259 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.365 5.155 7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.910 2.387 8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.812 3.388 9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -15.349 3.095 8.244 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -12.592 5.192 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -17.219 4.097 9.499 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -14.453 6.224 11.923 1.00 0.00 H new ATOM 0 HH TYR A 762 -16.638 6.349 12.193 1.00 0.00 H new ATOM 608 N ASP A 763 -10.155 3.102 6.405 1.00 0.00 N ATOM 609 CA ASP A 763 -8.696 2.942 6.213 1.00 0.00 C ATOM 610 C ASP A 763 -8.089 4.222 5.721 1.00 0.00 C ATOM 611 O ASP A 763 -8.788 5.047 5.086 1.00 0.00 O ATOM 612 CB ASP A 763 -8.340 1.835 5.221 1.00 0.00 C ATOM 613 CG ASP A 763 -6.841 1.574 5.171 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.266 1.140 6.181 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.210 1.930 4.138 1.00 0.00 O ATOM 0 H ASP A 763 -10.729 2.526 5.789 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.295 2.669 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.859 0.918 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.693 2.111 4.227 1.00 0.00 H new ATOM 620 N GLN A 764 -6.814 4.384 5.997 1.00 0.00 N ATOM 621 CA GLN A 764 -6.058 5.532 5.590 1.00 0.00 C ATOM 622 C GLN A 764 -6.140 5.757 4.097 1.00 0.00 C ATOM 623 O GLN A 764 -6.410 6.878 3.653 1.00 0.00 O ATOM 624 CB GLN A 764 -4.581 5.398 5.983 1.00 0.00 C ATOM 625 CG GLN A 764 -4.273 5.428 7.475 1.00 0.00 C ATOM 626 CD GLN A 764 -4.769 4.221 8.279 1.00 0.00 C ATOM 627 OE1 GLN A 764 -5.137 4.346 9.441 1.00 0.00 O ATOM 628 NE2 GLN A 764 -4.693 3.044 7.715 1.00 0.00 N ATOM 0 H GLN A 764 -6.268 3.702 6.523 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.498 6.385 6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.202 4.461 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.025 6.203 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -3.194 5.508 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -4.712 6.330 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -4.384 2.962 6.746 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -4.942 2.208 8.244 1.00 0.00 H new ATOM 637 N ASP A 765 -5.954 4.708 3.315 1.00 0.00 N ATOM 638 CA ASP A 765 -5.979 4.886 1.885 1.00 0.00 C ATOM 639 C ASP A 765 -7.206 4.302 1.242 1.00 0.00 C ATOM 640 O ASP A 765 -7.501 4.627 0.107 1.00 0.00 O ATOM 641 CB ASP A 765 -4.730 4.264 1.259 1.00 0.00 C ATOM 642 CG ASP A 765 -3.445 4.955 1.619 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.206 6.087 1.154 1.00 0.00 O ATOM 644 OD2 ASP A 765 -2.636 4.362 2.351 1.00 0.00 O ATOM 0 H ASP A 765 -5.789 3.755 3.638 1.00 0.00 H new ATOM 0 HA ASP A 765 -6.000 5.961 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -4.666 3.220 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.840 4.270 0.175 1.00 0.00 H new ATOM 649 N GLY A 766 -7.984 3.517 1.996 1.00 0.00 N ATOM 650 CA GLY A 766 -9.206 2.889 1.443 1.00 0.00 C ATOM 651 C GLY A 766 -8.932 2.013 0.223 1.00 0.00 C ATOM 652 O GLY A 766 -9.853 1.634 -0.493 1.00 0.00 O ATOM 0 H GLY A 766 -7.800 3.299 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.679 2.285 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.916 3.669 1.170 1.00 0.00 H new ATOM 656 N ASP A 767 -7.675 1.701 0.003 1.00 0.00 N ATOM 657 CA ASP A 767 -7.255 0.925 -1.139 1.00 0.00 C ATOM 658 C ASP A 767 -6.929 -0.470 -0.729 1.00 0.00 C ATOM 659 O ASP A 767 -7.589 -1.400 -1.183 1.00 0.00 O ATOM 660 CB ASP A 767 -6.080 1.579 -1.870 1.00 0.00 C ATOM 661 CG ASP A 767 -6.513 2.557 -2.944 1.00 0.00 C ATOM 662 OD1 ASP A 767 -7.018 2.114 -4.003 1.00 0.00 O ATOM 663 OD2 ASP A 767 -6.328 3.772 -2.777 1.00 0.00 O ATOM 0 H ASP A 767 -6.910 1.981 0.617 1.00 0.00 H new ATOM 0 HA ASP A 767 -8.086 0.891 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.454 2.099 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.464 0.802 -2.323 1.00 0.00 H new ATOM 668 N GLN A 768 -5.887 -0.596 0.135 1.00 0.00 N ATOM 669 CA GLN A 768 -5.470 -1.850 0.793 1.00 0.00 C ATOM 670 C GLN A 768 -5.569 -3.042 -0.154 1.00 0.00 C ATOM 671 O GLN A 768 -6.537 -3.785 -0.107 1.00 0.00 O ATOM 672 CB GLN A 768 -6.355 -2.049 2.023 1.00 0.00 C ATOM 673 CG GLN A 768 -5.672 -2.526 3.237 1.00 0.00 C ATOM 674 CD GLN A 768 -6.640 -2.557 4.396 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.796 -1.585 5.107 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.268 -3.679 4.624 1.00 0.00 N ATOM 0 H GLN A 768 -5.302 0.198 0.396 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.423 -1.780 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.843 -1.102 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.142 -2.759 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.264 -3.522 3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.832 -1.873 3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.119 -4.481 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.908 -3.754 5.415 1.00 0.00 H new ATOM 685 N GLU A 769 -4.535 -3.213 -0.991 1.00 0.00 N ATOM 686 CA GLU A 769 -4.430 -4.273 -2.046 1.00 0.00 C ATOM 687 C GLU A 769 -3.437 -3.840 -3.154 1.00 0.00 C ATOM 688 O GLU A 769 -3.413 -4.420 -4.225 1.00 0.00 O ATOM 689 CB GLU A 769 -5.772 -4.668 -2.725 1.00 0.00 C ATOM 690 CG GLU A 769 -6.409 -3.675 -3.679 1.00 0.00 C ATOM 691 CD GLU A 769 -7.447 -4.359 -4.487 1.00 0.00 C ATOM 692 OE1 GLU A 769 -8.418 -4.887 -3.899 1.00 0.00 O ATOM 693 OE2 GLU A 769 -7.300 -4.447 -5.716 1.00 0.00 O ATOM 0 H GLU A 769 -3.715 -2.607 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.079 -5.153 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.609 -5.597 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.494 -4.884 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.853 -2.851 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.650 -3.244 -4.332 1.00 0.00 H new ATOM 700 N LEU A 770 -2.559 -2.884 -2.859 1.00 0.00 N ATOM 701 CA LEU A 770 -1.699 -2.314 -3.907 1.00 0.00 C ATOM 702 C LEU A 770 -0.233 -2.700 -3.695 1.00 0.00 C ATOM 703 O LEU A 770 0.298 -2.525 -2.589 1.00 0.00 O ATOM 704 CB LEU A 770 -1.829 -0.764 -3.994 1.00 0.00 C ATOM 705 CG LEU A 770 -3.013 -0.143 -4.762 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.354 -0.487 -4.132 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.845 1.367 -4.856 1.00 0.00 C ATOM 0 H LEU A 770 -2.421 -2.492 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 770 -2.043 -2.736 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.865 -0.382 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.912 -0.384 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.009 -0.571 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.156 -0.027 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.486 -1.569 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.382 -0.112 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.687 1.794 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -2.808 1.792 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -1.919 1.598 -5.382 1.00 0.00 H new ATOM 719 N THR A 771 0.420 -3.241 -4.715 1.00 0.00 N ATOM 720 CA THR A 771 1.783 -3.649 -4.579 1.00 0.00 C ATOM 721 C THR A 771 2.725 -2.471 -4.849 1.00 0.00 C ATOM 722 O THR A 771 2.286 -1.408 -5.321 1.00 0.00 O ATOM 723 CB THR A 771 2.136 -4.825 -5.510 1.00 0.00 C ATOM 724 OG1 THR A 771 2.454 -4.367 -6.802 1.00 0.00 O ATOM 725 CG2 THR A 771 0.975 -5.769 -5.636 1.00 0.00 C ATOM 0 H THR A 771 0.016 -3.401 -5.638 1.00 0.00 H new ATOM 0 HA THR A 771 1.912 -3.990 -3.552 1.00 0.00 H new ATOM 0 HB THR A 771 2.994 -5.333 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.676 -5.131 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.245 -6.592 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.718 -6.163 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.117 -5.238 -6.049 1.00 0.00 H new ATOM 733 N GLU A 772 4.019 -2.652 -4.528 1.00 0.00 N ATOM 734 CA GLU A 772 5.048 -1.663 -4.752 1.00 0.00 C ATOM 735 C GLU A 772 5.083 -1.327 -6.232 1.00 0.00 C ATOM 736 O GLU A 772 5.224 -0.175 -6.608 1.00 0.00 O ATOM 737 CB GLU A 772 6.398 -2.201 -4.222 1.00 0.00 C ATOM 738 CG GLU A 772 7.507 -1.168 -4.017 1.00 0.00 C ATOM 739 CD GLU A 772 8.132 -0.649 -5.287 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.745 -1.446 -6.021 1.00 0.00 O ATOM 741 OE2 GLU A 772 8.063 0.570 -5.547 1.00 0.00 O ATOM 0 H GLU A 772 4.368 -3.509 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 772 4.839 -0.741 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.217 -2.701 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.761 -2.959 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 772 7.100 -0.325 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.288 -1.612 -3.400 1.00 0.00 H new ATOM 748 N HIS A 773 4.843 -2.342 -7.068 1.00 0.00 N ATOM 749 CA HIS A 773 4.878 -2.145 -8.519 1.00 0.00 C ATOM 750 C HIS A 773 3.741 -1.259 -8.967 1.00 0.00 C ATOM 751 O HIS A 773 3.913 -0.425 -9.852 1.00 0.00 O ATOM 752 CB HIS A 773 4.863 -3.468 -9.296 1.00 0.00 C ATOM 753 CG HIS A 773 5.997 -4.364 -8.945 1.00 0.00 C ATOM 754 ND1 HIS A 773 5.866 -5.480 -8.152 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.289 -4.290 -9.269 1.00 0.00 C ATOM 756 CE1 HIS A 773 7.052 -6.047 -8.008 1.00 0.00 C ATOM 757 NE2 HIS A 773 7.925 -5.345 -8.675 1.00 0.00 N ATOM 0 H HIS A 773 4.626 -3.293 -6.771 1.00 0.00 H new ATOM 0 HA HIS A 773 5.824 -1.652 -8.744 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.924 -3.986 -9.101 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.893 -3.255 -10.365 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.749 -3.534 -9.888 1.00 0.00 H new ATOM 0 HE1 HIS A 773 7.262 -6.939 -7.436 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.922 -5.550 -8.743 1.00 0.00 H new ATOM 765 N GLU A 774 2.595 -1.406 -8.331 1.00 0.00 N ATOM 766 CA GLU A 774 1.428 -0.592 -8.697 1.00 0.00 C ATOM 767 C GLU A 774 1.556 0.814 -8.131 1.00 0.00 C ATOM 768 O GLU A 774 1.249 1.812 -8.809 1.00 0.00 O ATOM 769 CB GLU A 774 0.146 -1.244 -8.230 1.00 0.00 C ATOM 770 CG GLU A 774 0.042 -2.681 -8.688 1.00 0.00 C ATOM 771 CD GLU A 774 -1.125 -3.386 -8.100 1.00 0.00 C ATOM 772 OE1 GLU A 774 -1.348 -3.283 -6.890 1.00 0.00 O ATOM 773 OE2 GLU A 774 -1.836 -4.086 -8.824 1.00 0.00 O ATOM 0 H GLU A 774 2.437 -2.066 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 774 1.392 -0.521 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 774 0.095 -1.206 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.706 -0.680 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.033 -2.707 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.955 -3.211 -8.418 1.00 0.00 H new