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= -9.41! C(o=-9.4!,f=-10!) USER MOD Single : A 735 LYS NZ :NH3+ -117:sc= 0.835 (180deg=-0.00455) USER MOD Single : A 737 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.61) USER MOD Single : A 743 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.88) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -109:sc= -1.24 (180deg=-3.33!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot -54:sc= 1.21 USER MOD Single : A 760 THR OG1 : rot 75:sc= 0.773 USER MOD Single : A 761 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.12) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -0.0941 X(o=-0.094,f=-0.094) USER MOD Single : A 768 GLN : amide:sc= -6.5! C(o=-6.5!,f=-6.1!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.0365 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.888 -8.330 4.385 1.00 0.00 N ATOM 88 CA ARG A 730 7.475 -8.090 3.022 1.00 0.00 C ATOM 89 C ARG A 730 6.385 -7.036 2.908 1.00 0.00 C ATOM 90 O ARG A 730 6.503 -6.091 2.147 1.00 0.00 O ATOM 91 CB ARG A 730 7.160 -9.350 2.217 1.00 0.00 C ATOM 92 CG ARG A 730 6.521 -10.503 2.959 1.00 0.00 C ATOM 93 CD ARG A 730 6.263 -11.663 2.010 1.00 0.00 C ATOM 94 NE ARG A 730 7.490 -12.156 1.371 1.00 0.00 N ATOM 95 CZ ARG A 730 7.518 -13.105 0.425 1.00 0.00 C ATOM 96 NH1 ARG A 730 6.410 -13.765 0.102 1.00 0.00 N ATOM 97 NH2 ARG A 730 8.650 -13.406 -0.178 1.00 0.00 N ATOM 0 HA ARG A 730 8.363 -7.675 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.500 -9.070 1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.089 -9.708 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.172 -10.827 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.584 -10.179 3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.791 -12.478 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 730 5.559 -11.348 1.240 1.00 0.00 H new ATOM 0 HE ARG A 730 8.378 -11.750 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 730 5.532 -13.550 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 730 6.438 -14.486 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 730 9.508 -12.916 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 730 8.668 -14.129 -0.898 1.00 0.00 H new ATOM 111 N GLN A 731 5.330 -7.219 3.671 1.00 0.00 N ATOM 112 CA GLN A 731 4.229 -6.274 3.747 1.00 0.00 C ATOM 113 C GLN A 731 4.724 -4.952 4.272 1.00 0.00 C ATOM 114 O GLN A 731 4.584 -3.931 3.627 1.00 0.00 O ATOM 115 CB GLN A 731 3.144 -6.856 4.666 1.00 0.00 C ATOM 116 CG GLN A 731 2.052 -5.885 5.130 1.00 0.00 C ATOM 117 CD GLN A 731 1.329 -5.177 3.999 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.884 -4.057 4.151 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.131 -5.851 2.891 1.00 0.00 N ATOM 0 H GLN A 731 5.208 -8.039 4.266 1.00 0.00 H new ATOM 0 HA GLN A 731 3.808 -6.106 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.665 -7.686 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.630 -7.271 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.322 -6.434 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.500 -5.137 5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.516 -6.790 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.592 -5.436 2.131 1.00 0.00 H new ATOM 128 N GLY A 732 5.374 -5.020 5.401 1.00 0.00 N ATOM 129 CA GLY A 732 5.864 -3.830 6.074 1.00 0.00 C ATOM 130 C GLY A 732 6.988 -3.137 5.325 1.00 0.00 C ATOM 131 O GLY A 732 7.338 -2.000 5.621 1.00 0.00 O ATOM 0 H GLY A 732 5.583 -5.893 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 732 5.039 -3.130 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.214 -4.102 7.070 1.00 0.00 H new ATOM 135 N GLY A 733 7.554 -3.817 4.368 1.00 0.00 N ATOM 136 CA GLY A 733 8.628 -3.257 3.636 1.00 0.00 C ATOM 137 C GLY A 733 8.475 -3.474 2.179 1.00 0.00 C ATOM 138 O GLY A 733 9.391 -3.992 1.516 1.00 0.00 O ATOM 0 H GLY A 733 7.282 -4.758 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.688 -2.188 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.566 -3.699 3.972 1.00 0.00 H new ATOM 142 N GLY A 734 7.337 -3.127 1.661 1.00 0.00 N ATOM 143 CA GLY A 734 7.147 -3.300 0.273 1.00 0.00 C ATOM 144 C GLY A 734 5.862 -2.724 -0.223 1.00 0.00 C ATOM 145 O GLY A 734 5.855 -1.728 -0.937 1.00 0.00 O ATOM 0 H GLY A 734 6.548 -2.732 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.976 -2.835 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.174 -4.364 0.039 1.00 0.00 H new ATOM 149 N LYS A 735 4.769 -3.329 0.170 1.00 0.00 N ATOM 150 CA LYS A 735 3.486 -2.926 -0.341 1.00 0.00 C ATOM 151 C LYS A 735 2.393 -3.217 0.660 1.00 0.00 C ATOM 152 O LYS A 735 2.611 -4.017 1.529 1.00 0.00 O ATOM 153 CB LYS A 735 3.198 -3.641 -1.666 1.00 0.00 C ATOM 154 CG LYS A 735 2.681 -5.110 -1.638 1.00 0.00 C ATOM 155 CD LYS A 735 3.603 -6.105 -0.957 1.00 0.00 C ATOM 156 CE LYS A 735 3.246 -7.530 -1.400 1.00 0.00 C ATOM 157 NZ LYS A 735 4.189 -8.547 -0.891 1.00 0.00 N ATOM 0 H LYS A 735 4.743 -4.099 0.839 1.00 0.00 H new ATOM 0 HA LYS A 735 3.509 -1.851 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.464 -3.045 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.116 -3.627 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.715 -5.129 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.511 -5.439 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.640 -5.885 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.512 -6.017 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 735 2.240 -7.770 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 735 3.228 -7.572 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 4.670 -9.006 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 4.895 -8.090 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 3.667 -9.262 -0.345 1.00 0.00 H new ATOM 171 N LEU A 736 1.206 -2.620 0.492 1.00 0.00 N ATOM 172 CA LEU A 736 0.081 -2.894 1.415 1.00 0.00 C ATOM 173 C LEU A 736 -1.097 -3.420 0.637 1.00 0.00 C ATOM 174 O LEU A 736 -1.550 -2.806 -0.332 1.00 0.00 O ATOM 175 CB LEU A 736 -0.390 -1.698 2.258 1.00 0.00 C ATOM 176 CG LEU A 736 0.673 -0.782 2.892 1.00 0.00 C ATOM 177 CD1 LEU A 736 1.049 0.367 1.965 1.00 0.00 C ATOM 178 CD2 LEU A 736 0.186 -0.253 4.227 1.00 0.00 C ATOM 0 H LEU A 736 0.995 -1.958 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 736 0.473 -3.627 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.028 -1.079 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -1.016 -2.085 3.062 1.00 0.00 H new ATOM 0 HG LEU A 736 1.570 -1.378 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 736 1.801 0.992 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 736 1.451 -0.033 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 736 0.164 0.966 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 736 0.948 0.393 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.731 0.317 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -0.010 -1.088 4.900 1.00 0.00 H new ATOM 190 N ASN A 737 -1.631 -4.536 1.055 1.00 0.00 N ATOM 191 CA ASN A 737 -2.713 -5.209 0.294 1.00 0.00 C ATOM 192 C ASN A 737 -3.718 -5.663 1.286 1.00 0.00 C ATOM 193 O ASN A 737 -3.372 -5.808 2.245 1.00 0.00 O ATOM 194 CB ASN A 737 -2.207 -6.445 -0.549 1.00 0.00 C ATOM 195 CG ASN A 737 -0.951 -6.255 -1.424 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.224 -7.205 -1.679 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.661 -5.073 -1.838 1.00 0.00 N ATOM 0 H ASN A 737 -1.354 -5.016 1.911 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.126 -4.503 -0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.012 -7.265 0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.022 -6.763 -1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.185 -4.918 -2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -1.277 -4.290 -1.618 1.00 0.00 H new ATOM 204 N PHE A 738 -4.977 -5.765 1.029 1.00 0.00 N ATOM 205 CA PHE A 738 -5.927 -6.293 2.057 1.00 0.00 C ATOM 206 C PHE A 738 -5.380 -7.595 2.664 1.00 0.00 C ATOM 207 O PHE A 738 -5.020 -7.621 3.836 1.00 0.00 O ATOM 208 CB PHE A 738 -7.266 -6.556 1.412 1.00 0.00 C ATOM 209 CG PHE A 738 -8.274 -7.211 2.300 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.756 -6.569 3.408 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.724 -8.481 2.022 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.667 -7.171 4.223 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.640 -9.094 2.837 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.112 -8.435 3.941 1.00 0.00 C ATOM 0 H PHE A 738 -5.407 -5.505 0.142 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.041 -5.555 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.675 -5.609 1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.113 -7.184 0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.410 -5.572 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.351 -9.001 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.039 -6.650 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -9.988 -10.091 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.834 -8.911 4.588 1.00 0.00 H new ATOM 224 N ASP A 739 -5.196 -8.603 1.820 1.00 0.00 N ATOM 225 CA ASP A 739 -4.715 -9.927 2.249 1.00 0.00 C ATOM 226 C ASP A 739 -3.277 -9.859 2.724 1.00 0.00 C ATOM 227 O ASP A 739 -2.866 -10.623 3.576 1.00 0.00 O ATOM 228 CB ASP A 739 -4.785 -10.936 1.100 1.00 0.00 C ATOM 229 CG ASP A 739 -5.178 -12.321 1.576 1.00 0.00 C ATOM 230 OD1 ASP A 739 -6.397 -12.627 1.642 1.00 0.00 O ATOM 231 OD2 ASP A 739 -4.275 -13.130 1.898 1.00 0.00 O ATOM 0 H ASP A 739 -5.374 -8.534 0.818 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.361 -10.247 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -5.506 -10.590 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -3.816 -10.986 0.603 1.00 0.00 H new ATOM 236 N GLU A 740 -2.511 -8.926 2.190 1.00 0.00 N ATOM 237 CA GLU A 740 -1.114 -8.858 2.549 1.00 0.00 C ATOM 238 C GLU A 740 -0.927 -7.890 3.715 1.00 0.00 C ATOM 239 O GLU A 740 -0.062 -8.075 4.545 1.00 0.00 O ATOM 240 CB GLU A 740 -0.271 -8.449 1.342 1.00 0.00 C ATOM 241 CG GLU A 740 1.222 -8.794 1.453 1.00 0.00 C ATOM 242 CD GLU A 740 1.540 -10.233 1.206 1.00 0.00 C ATOM 243 OE1 GLU A 740 0.742 -11.111 1.574 1.00 0.00 O ATOM 244 OE2 GLU A 740 2.590 -10.501 0.600 1.00 0.00 O ATOM 0 H GLU A 740 -2.826 -8.222 1.522 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.775 -9.844 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.676 -8.932 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.371 -7.374 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.778 -8.184 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.573 -8.522 2.448 1.00 0.00 H new ATOM 251 N LEU A 741 -1.761 -6.851 3.773 1.00 0.00 N ATOM 252 CA LEU A 741 -1.747 -5.856 4.861 1.00 0.00 C ATOM 253 C LEU A 741 -1.962 -6.559 6.156 1.00 0.00 C ATOM 254 O LEU A 741 -1.540 -6.102 7.184 1.00 0.00 O ATOM 255 CB LEU A 741 -2.879 -4.836 4.727 1.00 0.00 C ATOM 256 CG LEU A 741 -3.025 -3.860 5.866 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.158 -2.630 5.690 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.438 -3.516 6.065 1.00 0.00 C ATOM 0 H LEU A 741 -2.472 -6.670 3.065 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.788 -5.341 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.726 -4.271 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.818 -5.377 4.616 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.664 -4.350 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.301 -1.960 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.111 -2.928 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.438 -2.116 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.528 -2.810 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.834 -3.063 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -5.003 -4.419 6.296 1.00 0.00 H new ATOM 270 N ARG A 742 -2.660 -7.699 6.086 1.00 0.00 N ATOM 271 CA ARG A 742 -2.893 -8.517 7.248 1.00 0.00 C ATOM 272 C ARG A 742 -1.587 -8.893 7.803 1.00 0.00 C ATOM 273 O ARG A 742 -1.460 -8.876 8.877 1.00 0.00 O ATOM 274 CB ARG A 742 -3.654 -9.799 6.965 1.00 0.00 C ATOM 275 CG ARG A 742 -4.736 -9.700 5.947 1.00 0.00 C ATOM 276 CD ARG A 742 -5.941 -8.911 6.411 1.00 0.00 C ATOM 277 NE ARG A 742 -7.168 -9.643 6.101 1.00 0.00 N ATOM 278 CZ ARG A 742 -8.117 -9.969 6.975 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.973 -9.667 8.252 1.00 0.00 N ATOM 280 NH2 ARG A 742 -9.166 -10.666 6.590 1.00 0.00 N ATOM 0 H ARG A 742 -3.069 -8.064 5.226 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.503 -7.926 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.942 -10.557 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.091 -10.153 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.334 -9.235 5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -5.056 -10.705 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -5.877 -8.731 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.957 -7.936 5.924 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.309 -9.928 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -7.133 -9.183 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -8.701 -9.918 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -9.254 -10.959 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.890 -10.913 7.265 1.00 0.00 H new ATOM 294 N GLN A 743 -0.588 -9.123 6.996 1.00 0.00 N ATOM 295 CA GLN A 743 0.759 -9.484 7.486 1.00 0.00 C ATOM 296 C GLN A 743 1.193 -8.474 8.526 1.00 0.00 C ATOM 297 O GLN A 743 1.833 -8.799 9.523 1.00 0.00 O ATOM 298 CB GLN A 743 1.736 -9.506 6.347 1.00 0.00 C ATOM 299 CG GLN A 743 2.722 -10.678 6.358 1.00 0.00 C ATOM 300 CD GLN A 743 2.945 -11.229 4.975 1.00 0.00 C ATOM 301 OE1 GLN A 743 4.029 -11.706 4.646 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.913 -11.218 4.182 1.00 0.00 N ATOM 0 H GLN A 743 -0.661 -9.072 5.980 1.00 0.00 H new ATOM 0 HA GLN A 743 0.730 -10.478 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.178 -9.530 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.303 -8.575 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.673 -10.350 6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.343 -11.467 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 743 1.032 -10.811 4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.985 -11.616 3.246 1.00 0.00 H new ATOM 311 N ASP A 744 0.726 -7.273 8.315 1.00 0.00 N ATOM 312 CA ASP A 744 0.948 -6.207 9.229 1.00 0.00 C ATOM 313 C ASP A 744 0.005 -6.245 10.424 1.00 0.00 C ATOM 314 O ASP A 744 0.428 -6.125 11.575 1.00 0.00 O ATOM 315 CB ASP A 744 0.882 -4.884 8.567 1.00 0.00 C ATOM 316 CG ASP A 744 2.074 -4.069 8.999 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.235 -4.580 8.893 1.00 0.00 O ATOM 318 OD2 ASP A 744 1.880 -2.942 9.498 1.00 0.00 O ATOM 0 H ASP A 744 0.178 -7.014 7.495 1.00 0.00 H new ATOM 0 HA ASP A 744 1.960 -6.353 9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 744 0.878 -5.003 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -0.043 -4.373 8.835 1.00 0.00 H new ATOM 323 N LEU A 745 -1.270 -6.382 10.146 1.00 0.00 N ATOM 324 CA LEU A 745 -2.319 -6.412 11.150 1.00 0.00 C ATOM 325 C LEU A 745 -3.088 -7.763 11.234 1.00 0.00 C ATOM 326 O LEU A 745 -4.320 -7.781 11.350 1.00 0.00 O ATOM 327 CB LEU A 745 -3.232 -5.205 10.946 1.00 0.00 C ATOM 328 CG LEU A 745 -3.476 -4.756 9.511 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.505 -5.634 8.825 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.896 -3.297 9.522 1.00 0.00 C ATOM 0 H LEU A 745 -1.620 -6.478 9.193 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.849 -6.340 12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -4.197 -5.430 11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.810 -4.364 11.497 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.556 -4.857 8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.656 -5.287 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -4.151 -6.665 8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.448 -5.582 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.074 -2.962 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.810 -3.186 10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -3.105 -2.694 9.969 1.00 0.00 H new ATOM 342 N LYS A 746 -2.340 -8.875 11.159 1.00 0.00 N ATOM 343 CA LYS A 746 -2.897 -10.249 11.160 1.00 0.00 C ATOM 344 C LYS A 746 -3.783 -10.550 12.360 1.00 0.00 C ATOM 345 O LYS A 746 -3.293 -10.728 13.487 1.00 0.00 O ATOM 346 CB LYS A 746 -1.807 -11.377 11.019 1.00 0.00 C ATOM 347 CG LYS A 746 -1.164 -11.557 9.643 1.00 0.00 C ATOM 348 CD LYS A 746 -0.582 -12.958 9.473 1.00 0.00 C ATOM 349 CE LYS A 746 0.017 -13.140 8.087 1.00 0.00 C ATOM 350 NZ LYS A 746 0.639 -14.459 7.903 1.00 0.00 N ATOM 0 H LYS A 746 -1.322 -8.852 11.095 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.519 -10.265 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -1.014 -11.173 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.262 -12.325 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.907 -11.375 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.376 -10.816 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.184 -13.131 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.363 -13.701 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -0.763 -13.004 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.763 -12.364 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 1.030 -14.527 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 1.403 -14.582 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.076 -15.202 8.039 1.00 0.00 H new ATOM 364 N GLY A 747 -5.074 -10.548 12.133 1.00 0.00 N ATOM 365 CA GLY A 747 -5.994 -10.966 13.143 1.00 0.00 C ATOM 366 C GLY A 747 -6.598 -9.808 13.843 1.00 0.00 C ATOM 367 O GLY A 747 -6.056 -9.335 14.846 1.00 0.00 O ATOM 0 H GLY A 747 -5.504 -10.260 11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.781 -11.570 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.479 -11.600 13.865 1.00 0.00 H new ATOM 371 N LYS A 748 -7.704 -9.318 13.329 1.00 0.00 N ATOM 372 CA LYS A 748 -8.356 -8.210 13.979 1.00 0.00 C ATOM 373 C LYS A 748 -9.851 -8.179 13.728 1.00 0.00 C ATOM 374 O LYS A 748 -10.633 -7.732 14.577 1.00 0.00 O ATOM 375 CB LYS A 748 -7.723 -6.854 13.644 1.00 0.00 C ATOM 376 CG LYS A 748 -8.196 -6.230 12.373 1.00 0.00 C ATOM 377 CD LYS A 748 -7.790 -6.915 11.158 1.00 0.00 C ATOM 378 CE LYS A 748 -8.743 -6.491 10.154 1.00 0.00 C ATOM 379 NZ LYS A 748 -8.750 -4.996 9.998 1.00 0.00 N ATOM 0 H LYS A 748 -8.160 -9.661 12.483 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.202 -8.383 15.044 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -7.922 -6.165 14.465 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.642 -6.979 13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.285 -6.179 12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.829 -5.204 12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.772 -6.647 10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.810 -7.997 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -8.498 -6.956 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -9.740 -6.834 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.634 -4.610 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -7.940 -4.590 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.681 -4.752 8.989 1.00 0.00 H new ATOM 393 N GLY A 749 -10.241 -8.645 12.580 1.00 0.00 N ATOM 394 CA GLY A 749 -11.605 -8.614 12.207 1.00 0.00 C ATOM 395 C GLY A 749 -12.143 -10.011 12.112 1.00 0.00 C ATOM 396 O GLY A 749 -11.384 -10.977 12.290 1.00 0.00 O ATOM 0 H GLY A 749 -9.618 -9.054 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.178 -8.044 12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.717 -8.106 11.249 1.00 0.00 H new ATOM 400 N HIS A 750 -13.399 -10.142 11.817 1.00 0.00 N ATOM 401 CA HIS A 750 -14.013 -11.456 11.747 1.00 0.00 C ATOM 402 C HIS A 750 -13.907 -12.039 10.359 1.00 0.00 C ATOM 403 O HIS A 750 -13.033 -12.860 10.101 1.00 0.00 O ATOM 404 CB HIS A 750 -15.454 -11.468 12.268 1.00 0.00 C ATOM 405 CG HIS A 750 -15.566 -11.289 13.754 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.643 -12.343 14.637 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.604 -10.171 14.516 1.00 0.00 C ATOM 408 CE1 HIS A 750 -15.720 -11.875 15.871 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.697 -10.569 15.819 1.00 0.00 N ATOM 0 H HIS A 750 -14.028 -9.364 11.619 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.448 -12.102 12.419 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.015 -10.675 11.773 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -15.923 -12.412 11.989 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.568 -9.152 14.159 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.790 -12.470 16.769 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -15.742 -9.945 16.625 1.00 0.00 H new ATOM 417 N THR A 751 -14.742 -11.610 9.458 1.00 0.00 N ATOM 418 CA THR A 751 -14.668 -12.097 8.099 1.00 0.00 C ATOM 419 C THR A 751 -14.003 -11.107 7.199 1.00 0.00 C ATOM 420 O THR A 751 -14.030 -9.894 7.476 1.00 0.00 O ATOM 421 CB THR A 751 -16.027 -12.514 7.525 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.067 -11.559 7.779 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.408 -13.903 7.953 1.00 0.00 C ATOM 0 H THR A 751 -15.480 -10.928 9.631 1.00 0.00 H new ATOM 0 HA THR A 751 -14.057 -12.999 8.144 1.00 0.00 H new ATOM 0 HB THR A 751 -15.908 -12.531 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.109 -11.369 8.739 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.377 -14.162 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.656 -14.611 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.468 -13.945 9.041 1.00 0.00 H new ATOM 431 N ASP A 752 -13.379 -11.610 6.133 1.00 0.00 N ATOM 432 CA ASP A 752 -12.696 -10.756 5.157 1.00 0.00 C ATOM 433 C ASP A 752 -13.642 -9.711 4.622 1.00 0.00 C ATOM 434 O ASP A 752 -13.261 -8.583 4.457 1.00 0.00 O ATOM 435 CB ASP A 752 -12.140 -11.563 3.974 1.00 0.00 C ATOM 436 CG ASP A 752 -10.984 -12.462 4.319 1.00 0.00 C ATOM 437 OD1 ASP A 752 -9.843 -11.983 4.410 1.00 0.00 O ATOM 438 OD2 ASP A 752 -11.202 -13.684 4.503 1.00 0.00 O ATOM 0 H ASP A 752 -13.332 -12.607 5.922 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.864 -10.284 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.943 -12.170 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.824 -10.870 3.194 1.00 0.00 H new ATOM 443 N ALA A 753 -14.909 -10.081 4.457 1.00 0.00 N ATOM 444 CA ALA A 753 -15.934 -9.176 3.931 1.00 0.00 C ATOM 445 C ALA A 753 -16.126 -7.959 4.797 1.00 0.00 C ATOM 446 O ALA A 753 -16.257 -6.858 4.292 1.00 0.00 O ATOM 447 CB ALA A 753 -17.243 -9.884 3.701 1.00 0.00 C ATOM 0 H ALA A 753 -15.256 -11.013 4.683 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.567 -8.830 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -17.975 -9.177 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.099 -10.691 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.604 -10.297 4.643 1.00 0.00 H new ATOM 453 N GLU A 754 -16.157 -8.174 6.076 1.00 0.00 N ATOM 454 CA GLU A 754 -16.306 -7.125 7.062 1.00 0.00 C ATOM 455 C GLU A 754 -15.135 -6.170 7.041 1.00 0.00 C ATOM 456 O GLU A 754 -15.314 -4.965 7.075 1.00 0.00 O ATOM 457 CB GLU A 754 -16.388 -7.762 8.436 1.00 0.00 C ATOM 458 CG GLU A 754 -17.702 -8.370 8.821 1.00 0.00 C ATOM 459 CD GLU A 754 -17.559 -9.125 10.097 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.187 -10.311 10.053 1.00 0.00 O ATOM 461 OE2 GLU A 754 -17.768 -8.542 11.169 1.00 0.00 O ATOM 0 H GLU A 754 -16.078 -9.106 6.483 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.210 -6.562 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.624 -8.537 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.134 -7.005 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.454 -7.589 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.049 -9.036 8.031 1.00 0.00 H new ATOM 468 N ILE A 755 -13.967 -6.714 6.958 1.00 0.00 N ATOM 469 CA ILE A 755 -12.738 -5.945 7.000 1.00 0.00 C ATOM 470 C ILE A 755 -12.486 -5.252 5.680 1.00 0.00 C ATOM 471 O ILE A 755 -12.055 -4.100 5.632 1.00 0.00 O ATOM 472 CB ILE A 755 -11.599 -6.887 7.299 1.00 0.00 C ATOM 473 CG1 ILE A 755 -11.943 -7.627 8.581 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.312 -6.132 7.455 1.00 0.00 C ATOM 475 CD1 ILE A 755 -10.995 -8.693 8.914 1.00 0.00 C ATOM 0 H ILE A 755 -13.822 -7.719 6.857 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.820 -5.180 7.772 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.463 -7.590 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.979 -6.914 9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -12.941 -8.056 8.487 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.504 -6.831 7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.091 -5.595 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.405 -5.421 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.303 -9.178 9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -10.976 -9.428 8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.999 -8.268 9.041 1.00 0.00 H new ATOM 487 N GLU A 756 -12.792 -5.941 4.634 1.00 0.00 N ATOM 488 CA GLU A 756 -12.615 -5.452 3.286 1.00 0.00 C ATOM 489 C GLU A 756 -13.493 -4.190 3.047 1.00 0.00 C ATOM 490 O GLU A 756 -13.088 -3.261 2.400 1.00 0.00 O ATOM 491 CB GLU A 756 -12.953 -6.529 2.268 1.00 0.00 C ATOM 492 CG GLU A 756 -12.588 -6.182 0.844 1.00 0.00 C ATOM 493 CD GLU A 756 -13.445 -6.916 -0.128 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.543 -6.423 -0.417 1.00 0.00 O ATOM 495 OE2 GLU A 756 -13.062 -8.007 -0.609 1.00 0.00 O ATOM 0 H GLU A 756 -13.182 -6.882 4.680 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.567 -5.180 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.440 -7.449 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -14.023 -6.734 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.697 -5.108 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.541 -6.425 0.665 1.00 0.00 H new ATOM 502 N ALA A 757 -14.721 -4.246 3.477 1.00 0.00 N ATOM 503 CA ALA A 757 -15.646 -3.111 3.379 1.00 0.00 C ATOM 504 C ALA A 757 -15.257 -1.968 4.336 1.00 0.00 C ATOM 505 O ALA A 757 -15.141 -0.786 3.919 1.00 0.00 O ATOM 506 CB ALA A 757 -17.053 -3.573 3.687 1.00 0.00 C ATOM 0 H ALA A 757 -15.128 -5.075 3.910 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.592 -2.726 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.738 -2.728 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.348 -4.342 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.089 -3.982 4.697 1.00 0.00 H new ATOM 512 N ILE A 758 -15.011 -2.324 5.601 1.00 0.00 N ATOM 513 CA ILE A 758 -14.741 -1.351 6.655 1.00 0.00 C ATOM 514 C ILE A 758 -13.564 -0.464 6.276 1.00 0.00 C ATOM 515 O ILE A 758 -13.642 0.759 6.385 1.00 0.00 O ATOM 516 CB ILE A 758 -14.529 -2.036 8.078 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.555 -1.014 9.238 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.234 -2.837 8.154 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.248 -0.276 9.504 1.00 0.00 C ATOM 0 H ILE A 758 -14.994 -3.293 5.919 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.626 -0.721 6.751 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.372 -2.718 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.330 -0.277 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.848 -1.535 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.139 -3.282 9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.249 -3.625 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.386 -2.177 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.383 0.414 10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.468 -0.996 9.751 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.958 0.282 8.614 1.00 0.00 H new ATOM 531 N PHE A 759 -12.505 -1.080 5.758 1.00 0.00 N ATOM 532 CA PHE A 759 -11.303 -0.363 5.444 1.00 0.00 C ATOM 533 C PHE A 759 -11.549 0.620 4.295 1.00 0.00 C ATOM 534 O PHE A 759 -10.997 1.667 4.254 1.00 0.00 O ATOM 535 CB PHE A 759 -10.119 -1.346 5.106 1.00 0.00 C ATOM 536 CG PHE A 759 -10.007 -1.867 3.652 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.697 -1.015 2.585 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.189 -3.193 3.369 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.601 -1.488 1.305 1.00 0.00 C ATOM 540 CE2 PHE A 759 -10.081 -3.671 2.068 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.795 -2.818 1.044 1.00 0.00 C ATOM 0 H PHE A 759 -12.469 -2.078 5.551 1.00 0.00 H new ATOM 0 HA PHE A 759 -11.011 0.207 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.185 -0.843 5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.202 -2.210 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.531 0.035 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.420 -3.880 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.371 -0.809 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.224 -4.723 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.722 -3.189 0.032 1.00 0.00 H new ATOM 551 N THR A 760 -12.424 0.290 3.419 1.00 0.00 N ATOM 552 CA THR A 760 -12.664 1.111 2.258 1.00 0.00 C ATOM 553 C THR A 760 -13.114 2.512 2.715 1.00 0.00 C ATOM 554 O THR A 760 -12.696 3.535 2.164 1.00 0.00 O ATOM 555 CB THR A 760 -13.704 0.444 1.338 1.00 0.00 C ATOM 556 OG1 THR A 760 -13.229 -0.873 0.965 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.924 1.258 0.078 1.00 0.00 C ATOM 0 H THR A 760 -13.000 -0.550 3.472 1.00 0.00 H new ATOM 0 HA THR A 760 -11.746 1.218 1.680 1.00 0.00 H new ATOM 0 HB THR A 760 -14.648 0.377 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.326 -1.483 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.663 0.762 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.283 2.252 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.984 1.346 -0.467 1.00 0.00 H new ATOM 565 N LYS A 761 -13.888 2.534 3.780 1.00 0.00 N ATOM 566 CA LYS A 761 -14.371 3.800 4.311 1.00 0.00 C ATOM 567 C LYS A 761 -13.452 4.341 5.435 1.00 0.00 C ATOM 568 O LYS A 761 -13.149 5.527 5.471 1.00 0.00 O ATOM 569 CB LYS A 761 -15.825 3.674 4.794 1.00 0.00 C ATOM 570 CG LYS A 761 -16.592 5.010 4.863 1.00 0.00 C ATOM 571 CD LYS A 761 -18.073 4.823 5.167 1.00 0.00 C ATOM 572 CE LYS A 761 -18.799 6.161 5.204 1.00 0.00 C ATOM 573 NZ LYS A 761 -18.327 7.046 6.292 1.00 0.00 N ATOM 0 H LYS A 761 -14.195 1.706 4.291 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.346 4.526 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.359 2.997 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.828 3.216 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -16.145 5.642 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.484 5.536 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.525 4.182 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.189 4.316 6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.665 6.667 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -19.868 5.985 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -18.964 7.864 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -18.320 6.520 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -17.365 7.378 6.077 1.00 0.00 H new ATOM 587 N TYR A 762 -13.008 3.467 6.334 1.00 0.00 N ATOM 588 CA TYR A 762 -12.214 3.887 7.492 1.00 0.00 C ATOM 589 C TYR A 762 -10.693 3.777 7.340 1.00 0.00 C ATOM 590 O TYR A 762 -9.960 4.444 8.080 1.00 0.00 O ATOM 591 CB TYR A 762 -12.665 3.167 8.748 1.00 0.00 C ATOM 592 CG TYR A 762 -13.747 3.883 9.510 1.00 0.00 C ATOM 593 CD1 TYR A 762 -15.097 3.749 9.196 1.00 0.00 C ATOM 594 CD2 TYR A 762 -13.404 4.699 10.564 1.00 0.00 C ATOM 595 CE1 TYR A 762 -16.062 4.426 9.928 1.00 0.00 C ATOM 596 CE2 TYR A 762 -14.347 5.367 11.287 1.00 0.00 C ATOM 597 CZ TYR A 762 -15.670 5.236 10.973 1.00 0.00 C ATOM 598 OH TYR A 762 -16.608 5.921 11.712 1.00 0.00 O ATOM 0 H TYR A 762 -13.183 2.463 6.286 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.411 4.956 7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -13.023 2.174 8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.805 3.028 9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -15.395 3.113 8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -12.362 4.813 10.825 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -17.108 4.320 9.682 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -14.048 6.000 12.109 1.00 0.00 H new ATOM 0 HH TYR A 762 -16.158 6.442 12.409 1.00 0.00 H new ATOM 608 N ASP A 763 -10.206 2.940 6.437 1.00 0.00 N ATOM 609 CA ASP A 763 -8.740 2.758 6.257 1.00 0.00 C ATOM 610 C ASP A 763 -8.084 4.025 5.782 1.00 0.00 C ATOM 611 O ASP A 763 -8.734 4.857 5.133 1.00 0.00 O ATOM 612 CB ASP A 763 -8.407 1.654 5.257 1.00 0.00 C ATOM 613 CG ASP A 763 -6.916 1.378 5.180 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.337 0.841 6.138 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.290 1.784 4.159 1.00 0.00 O ATOM 0 H ASP A 763 -10.782 2.373 5.815 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.358 2.479 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.929 0.740 5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.773 1.938 4.270 1.00 0.00 H new ATOM 620 N GLN A 764 -6.803 4.157 6.082 1.00 0.00 N ATOM 621 CA GLN A 764 -6.013 5.290 5.676 1.00 0.00 C ATOM 622 C GLN A 764 -6.053 5.493 4.166 1.00 0.00 C ATOM 623 O GLN A 764 -6.187 6.628 3.692 1.00 0.00 O ATOM 624 CB GLN A 764 -4.552 5.156 6.126 1.00 0.00 C ATOM 625 CG GLN A 764 -4.335 5.019 7.631 1.00 0.00 C ATOM 626 CD GLN A 764 -4.994 6.127 8.417 1.00 0.00 C ATOM 627 OE1 GLN A 764 -4.410 7.192 8.633 1.00 0.00 O ATOM 628 NE2 GLN A 764 -6.182 5.873 8.892 1.00 0.00 N ATOM 0 H GLN A 764 -6.282 3.466 6.622 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.455 6.159 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.117 4.286 5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.001 6.029 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -4.728 4.059 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -3.265 5.016 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -6.632 4.980 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -6.661 6.568 9.465 1.00 0.00 H new ATOM 637 N ASP A 765 -5.907 4.428 3.402 1.00 0.00 N ATOM 638 CA ASP A 765 -5.887 4.591 1.972 1.00 0.00 C ATOM 639 C ASP A 765 -7.133 4.065 1.308 1.00 0.00 C ATOM 640 O ASP A 765 -7.378 4.367 0.151 1.00 0.00 O ATOM 641 CB ASP A 765 -4.671 3.866 1.451 1.00 0.00 C ATOM 642 CG ASP A 765 -4.141 4.429 0.179 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.612 5.552 0.215 1.00 0.00 O ATOM 644 OD2 ASP A 765 -4.169 3.749 -0.862 1.00 0.00 O ATOM 0 H ASP A 765 -5.804 3.471 3.739 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.848 5.655 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -3.887 3.899 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.922 2.817 1.297 1.00 0.00 H new ATOM 649 N GLY A 766 -7.974 3.342 2.058 1.00 0.00 N ATOM 650 CA GLY A 766 -9.236 2.805 1.506 1.00 0.00 C ATOM 651 C GLY A 766 -9.059 1.923 0.265 1.00 0.00 C ATOM 652 O GLY A 766 -10.044 1.557 -0.399 1.00 0.00 O ATOM 0 H GLY A 766 -7.811 3.114 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.739 2.226 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.892 3.638 1.254 1.00 0.00 H new ATOM 656 N ASP A 767 -7.828 1.578 -0.035 1.00 0.00 N ATOM 657 CA ASP A 767 -7.512 0.796 -1.203 1.00 0.00 C ATOM 658 C ASP A 767 -7.115 -0.591 -0.830 1.00 0.00 C ATOM 659 O ASP A 767 -7.776 -1.534 -1.262 1.00 0.00 O ATOM 660 CB ASP A 767 -6.472 1.465 -2.082 1.00 0.00 C ATOM 661 CG ASP A 767 -7.078 2.038 -3.353 1.00 0.00 C ATOM 662 OD1 ASP A 767 -7.241 1.294 -4.346 1.00 0.00 O ATOM 663 OD2 ASP A 767 -7.418 3.236 -3.390 1.00 0.00 O ATOM 0 H ASP A 767 -7.016 1.834 0.528 1.00 0.00 H new ATOM 0 HA ASP A 767 -8.421 0.730 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.984 2.263 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.700 0.741 -2.344 1.00 0.00 H new ATOM 668 N GLN A 768 -6.049 -0.711 0.003 1.00 0.00 N ATOM 669 CA GLN A 768 -5.589 -1.990 0.592 1.00 0.00 C ATOM 670 C GLN A 768 -5.628 -3.172 -0.401 1.00 0.00 C ATOM 671 O GLN A 768 -6.600 -3.933 -0.418 1.00 0.00 O ATOM 672 CB GLN A 768 -6.477 -2.300 1.771 1.00 0.00 C ATOM 673 CG GLN A 768 -5.782 -2.676 3.019 1.00 0.00 C ATOM 674 CD GLN A 768 -6.753 -2.729 4.174 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.984 -1.741 4.832 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.273 -3.887 4.478 1.00 0.00 N ATOM 0 H GLN A 768 -5.481 0.087 0.286 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.546 -1.869 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -7.099 -1.428 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.148 -3.112 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.302 -3.647 2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.993 -1.955 3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.063 -4.706 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.889 -3.973 5.286 1.00 0.00 H new ATOM 685 N GLU A 769 -4.539 -3.338 -1.157 1.00 0.00 N ATOM 686 CA GLU A 769 -4.339 -4.408 -2.204 1.00 0.00 C ATOM 687 C GLU A 769 -3.289 -3.943 -3.248 1.00 0.00 C ATOM 688 O GLU A 769 -3.093 -4.589 -4.259 1.00 0.00 O ATOM 689 CB GLU A 769 -5.680 -4.922 -2.924 1.00 0.00 C ATOM 690 CG GLU A 769 -6.470 -3.994 -3.879 1.00 0.00 C ATOM 691 CD GLU A 769 -5.885 -3.831 -5.260 1.00 0.00 C ATOM 692 OE1 GLU A 769 -5.744 -4.842 -5.980 1.00 0.00 O ATOM 693 OE2 GLU A 769 -5.653 -2.687 -5.689 1.00 0.00 O ATOM 0 H GLU A 769 -3.730 -2.722 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.971 -5.279 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.418 -5.816 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.367 -5.233 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -7.484 -4.381 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.548 -3.009 -3.418 1.00 0.00 H new ATOM 700 N LEU A 770 -2.515 -2.899 -2.917 1.00 0.00 N ATOM 701 CA LEU A 770 -1.636 -2.267 -3.922 1.00 0.00 C ATOM 702 C LEU A 770 -0.174 -2.655 -3.728 1.00 0.00 C ATOM 703 O LEU A 770 0.371 -2.485 -2.628 1.00 0.00 O ATOM 704 CB LEU A 770 -1.759 -0.714 -3.935 1.00 0.00 C ATOM 705 CG LEU A 770 -2.955 -0.052 -4.618 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.258 -0.394 -3.930 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.762 1.455 -4.668 1.00 0.00 C ATOM 0 H LEU A 770 -2.476 -2.480 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.979 -2.646 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.750 -0.379 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.858 -0.320 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.011 -0.441 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.082 0.097 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.408 -1.473 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.224 -0.052 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.620 1.916 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -2.670 1.844 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -1.857 1.687 -5.229 1.00 0.00 H new ATOM 719 N THR A 771 0.463 -3.191 -4.766 1.00 0.00 N ATOM 720 CA THR A 771 1.837 -3.577 -4.665 1.00 0.00 C ATOM 721 C THR A 771 2.767 -2.374 -4.929 1.00 0.00 C ATOM 722 O THR A 771 2.297 -1.311 -5.385 1.00 0.00 O ATOM 723 CB THR A 771 2.196 -4.767 -5.602 1.00 0.00 C ATOM 724 OG1 THR A 771 2.406 -4.349 -6.930 1.00 0.00 O ATOM 725 CG2 THR A 771 1.085 -5.770 -5.619 1.00 0.00 C ATOM 0 H THR A 771 0.037 -3.361 -5.677 1.00 0.00 H new ATOM 0 HA THR A 771 1.991 -3.922 -3.643 1.00 0.00 H new ATOM 0 HB THR A 771 3.114 -5.203 -5.209 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.631 -5.125 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.351 -6.596 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.922 -6.149 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.172 -5.296 -5.981 1.00 0.00 H new ATOM 733 N GLU A 772 4.074 -2.529 -4.614 1.00 0.00 N ATOM 734 CA GLU A 772 5.080 -1.515 -4.857 1.00 0.00 C ATOM 735 C GLU A 772 5.073 -1.185 -6.325 1.00 0.00 C ATOM 736 O GLU A 772 5.107 -0.036 -6.690 1.00 0.00 O ATOM 737 CB GLU A 772 6.468 -2.015 -4.363 1.00 0.00 C ATOM 738 CG GLU A 772 7.576 -0.958 -4.264 1.00 0.00 C ATOM 739 CD GLU A 772 8.159 -0.529 -5.593 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.924 -1.313 -6.205 1.00 0.00 O ATOM 741 OE2 GLU A 772 7.899 0.584 -6.036 1.00 0.00 O ATOM 0 H GLU A 772 4.445 -3.375 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 772 4.861 -0.604 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.338 -2.468 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.807 -2.804 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 772 7.177 -0.079 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.379 -1.350 -3.640 1.00 0.00 H new ATOM 748 N HIS A 773 4.877 -2.207 -7.166 1.00 0.00 N ATOM 749 CA HIS A 773 4.890 -1.977 -8.608 1.00 0.00 C ATOM 750 C HIS A 773 3.731 -1.120 -9.031 1.00 0.00 C ATOM 751 O HIS A 773 3.879 -0.282 -9.913 1.00 0.00 O ATOM 752 CB HIS A 773 4.939 -3.262 -9.435 1.00 0.00 C ATOM 753 CG HIS A 773 6.199 -4.039 -9.253 1.00 0.00 C ATOM 754 ND1 HIS A 773 6.259 -5.279 -8.652 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.454 -3.745 -9.622 1.00 0.00 C ATOM 756 CE1 HIS A 773 7.513 -5.705 -8.664 1.00 0.00 C ATOM 757 NE2 HIS A 773 8.255 -4.793 -9.247 1.00 0.00 N ATOM 0 H HIS A 773 4.712 -3.173 -6.881 1.00 0.00 H new ATOM 0 HA HIS A 773 5.820 -1.446 -8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 773 4.091 -3.891 -9.164 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.826 -3.011 -10.490 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.776 -2.845 -10.124 1.00 0.00 H new ATOM 0 HE1 HIS A 773 7.865 -6.644 -8.262 1.00 0.00 H new ATOM 0 HE2 HIS A 773 9.262 -4.854 -9.397 1.00 0.00 H new ATOM 765 N GLU A 774 2.587 -1.282 -8.376 1.00 0.00 N ATOM 766 CA GLU A 774 1.421 -0.454 -8.727 1.00 0.00 C ATOM 767 C GLU A 774 1.596 0.965 -8.190 1.00 0.00 C ATOM 768 O GLU A 774 1.371 1.957 -8.901 1.00 0.00 O ATOM 769 CB GLU A 774 0.127 -1.054 -8.209 1.00 0.00 C ATOM 770 CG GLU A 774 -0.066 -2.485 -8.633 1.00 0.00 C ATOM 771 CD GLU A 774 -1.254 -3.135 -7.987 1.00 0.00 C ATOM 772 OE1 GLU A 774 -2.375 -3.046 -8.530 1.00 0.00 O ATOM 773 OE2 GLU A 774 -1.084 -3.774 -6.947 1.00 0.00 O ATOM 0 H GLU A 774 2.435 -1.953 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 774 1.358 -0.421 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 774 0.117 -0.998 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.713 -0.458 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.182 -2.524 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.830 -3.054 -8.388 1.00 0.00 H new