USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 325 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= -6.08! C(o=-6.1!,f=-9.2!) USER MOD Single : A 735 LYS NZ :NH3+ 154:sc= -0.92 (180deg=-2.48!) USER MOD Single : A 737 ASN : amide:sc= -6.35! K(o=-6.4!,f=-0.58) USER MOD Single : A 743 GLN : amide:sc= -4.29! C(o=-4.3!,f=-6.1!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 760 THR OG1 : rot 69:sc= 0.82 USER MOD Single : A 761 LYS NZ :NH3+ -112:sc= 0.881 (180deg=-1.01) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -0.648 K(o=-0.65,f=0) USER MOD Single : A 768 GLN : amide:sc= -3.27 K(o=-3.3,f=-1.5) USER MOD Single : A 771 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -9.275 10.834 4.777 1.00 0.00 N ATOM 69 CA LEU A 729 -9.007 11.264 6.139 1.00 0.00 C ATOM 70 C LEU A 729 -7.650 10.701 6.608 1.00 0.00 C ATOM 71 O LEU A 729 -6.599 11.155 6.154 1.00 0.00 O ATOM 72 CB LEU A 729 -10.165 10.839 7.076 1.00 0.00 C ATOM 73 CG LEU A 729 -10.101 11.343 8.525 1.00 0.00 C ATOM 74 CD1 LEU A 729 -10.150 12.857 8.574 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.235 10.761 9.337 1.00 0.00 C ATOM 0 HA LEU A 729 -8.946 12.352 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -11.101 11.183 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -10.204 9.750 7.096 1.00 0.00 H new ATOM 0 HG LEU A 729 -9.154 11.015 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -10.103 13.189 9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -9.303 13.266 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -11.079 13.206 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -11.175 11.128 10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -12.187 11.061 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -11.162 9.673 9.337 1.00 0.00 H new ATOM 87 N ARG A 730 -7.687 9.665 7.453 1.00 0.00 N ATOM 88 CA ARG A 730 -6.512 8.980 7.958 1.00 0.00 C ATOM 89 C ARG A 730 -5.802 8.173 6.864 1.00 0.00 C ATOM 90 O ARG A 730 -4.592 7.981 6.902 1.00 0.00 O ATOM 91 CB ARG A 730 -6.928 8.057 9.108 1.00 0.00 C ATOM 92 CG ARG A 730 -8.237 7.307 8.876 1.00 0.00 C ATOM 93 CD ARG A 730 -8.399 6.112 9.803 1.00 0.00 C ATOM 94 NE ARG A 730 -8.348 6.432 11.226 1.00 0.00 N ATOM 95 CZ ARG A 730 -8.147 5.501 12.178 1.00 0.00 C ATOM 96 NH1 ARG A 730 -7.897 4.234 11.824 1.00 0.00 N ATOM 97 NH2 ARG A 730 -8.210 5.830 13.464 1.00 0.00 N ATOM 0 H ARG A 730 -8.561 9.277 7.808 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.805 9.730 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -6.133 7.331 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -7.020 8.650 10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -9.074 7.991 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -8.278 6.967 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -9.352 5.629 9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -7.616 5.387 9.579 1.00 0.00 H new ATOM 0 HE ARG A 730 -8.470 7.403 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -7.860 3.978 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -7.744 3.525 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -8.412 6.792 13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -8.057 5.120 14.180 1.00 0.00 H new ATOM 111 N GLN A 731 -6.587 7.692 5.921 1.00 0.00 N ATOM 112 CA GLN A 731 -6.109 6.894 4.793 1.00 0.00 C ATOM 113 C GLN A 731 -5.669 7.843 3.702 1.00 0.00 C ATOM 114 O GLN A 731 -4.756 7.573 2.920 1.00 0.00 O ATOM 115 CB GLN A 731 -7.263 6.014 4.294 1.00 0.00 C ATOM 116 CG GLN A 731 -6.896 4.961 3.241 1.00 0.00 C ATOM 117 CD GLN A 731 -5.882 3.946 3.719 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.093 3.429 2.948 1.00 0.00 O ATOM 119 NE2 GLN A 731 -5.962 3.596 4.965 1.00 0.00 N ATOM 0 H GLN A 731 -7.596 7.844 5.911 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.274 6.258 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -7.703 5.504 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.035 6.662 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.801 4.438 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.503 5.465 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -6.635 4.052 5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -5.351 2.865 5.330 1.00 0.00 H new ATOM 128 N GLY A 732 -6.321 8.992 3.693 1.00 0.00 N ATOM 129 CA GLY A 732 -6.016 10.035 2.754 1.00 0.00 C ATOM 130 C GLY A 732 -4.688 10.653 3.020 1.00 0.00 C ATOM 131 O GLY A 732 -4.054 11.201 2.126 1.00 0.00 O ATOM 0 H GLY A 732 -7.076 9.220 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -6.031 9.628 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.789 10.802 2.800 1.00 0.00 H new ATOM 135 N GLY A 733 -4.245 10.525 4.226 1.00 0.00 N ATOM 136 CA GLY A 733 -2.959 11.035 4.583 1.00 0.00 C ATOM 137 C GLY A 733 -2.542 10.499 5.890 1.00 0.00 C ATOM 138 O GLY A 733 -2.911 11.048 6.921 1.00 0.00 O ATOM 0 H GLY A 733 -4.754 10.071 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.228 10.764 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -2.990 12.124 4.622 1.00 0.00 H new ATOM 142 N GLY A 734 -1.847 9.393 5.889 1.00 0.00 N ATOM 143 CA GLY A 734 -1.480 8.818 7.145 1.00 0.00 C ATOM 144 C GLY A 734 -0.945 7.430 7.035 1.00 0.00 C ATOM 145 O GLY A 734 0.264 7.247 6.948 1.00 0.00 O ATOM 0 H GLY A 734 -1.534 8.889 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -0.730 9.451 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -2.351 8.811 7.800 1.00 0.00 H new ATOM 149 N LYS A 735 -1.825 6.438 7.046 1.00 0.00 N ATOM 150 CA LYS A 735 -1.384 5.057 6.984 1.00 0.00 C ATOM 151 C LYS A 735 -2.191 4.327 5.911 1.00 0.00 C ATOM 152 O LYS A 735 -3.226 4.851 5.485 1.00 0.00 O ATOM 153 CB LYS A 735 -1.442 4.373 8.383 1.00 0.00 C ATOM 154 CG LYS A 735 -2.804 3.809 8.839 1.00 0.00 C ATOM 155 CD LYS A 735 -3.920 4.851 9.019 1.00 0.00 C ATOM 156 CE LYS A 735 -3.829 5.634 10.337 1.00 0.00 C ATOM 157 NZ LYS A 735 -2.611 6.461 10.431 1.00 0.00 N ATOM 0 H LYS A 735 -2.836 6.564 7.097 1.00 0.00 H new ATOM 0 HA LYS A 735 -0.334 5.015 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.720 3.557 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -1.111 5.098 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.135 3.069 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.663 3.285 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.886 5.554 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.886 4.348 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -4.705 6.275 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -3.852 4.934 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -2.785 7.263 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -1.829 5.886 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -2.360 6.818 9.487 1.00 0.00 H new ATOM 171 N LEU A 736 -1.728 3.169 5.426 1.00 0.00 N ATOM 172 CA LEU A 736 -2.475 2.508 4.325 1.00 0.00 C ATOM 173 C LEU A 736 -2.930 1.153 4.748 1.00 0.00 C ATOM 174 O LEU A 736 -2.139 0.321 5.134 1.00 0.00 O ATOM 175 CB LEU A 736 -1.609 2.334 3.062 1.00 0.00 C ATOM 176 CG LEU A 736 -1.080 3.600 2.314 1.00 0.00 C ATOM 177 CD1 LEU A 736 -2.198 4.559 1.952 1.00 0.00 C ATOM 178 CD2 LEU A 736 0.022 4.316 3.076 1.00 0.00 C ATOM 0 H LEU A 736 -0.890 2.685 5.748 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.323 3.153 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -0.743 1.732 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.188 1.749 2.347 1.00 0.00 H new ATOM 0 HG LEU A 736 -0.642 3.233 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -1.782 5.423 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -2.913 4.055 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -2.703 4.888 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 736 0.350 5.187 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.356 4.637 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 736 0.864 3.639 3.220 1.00 0.00 H new ATOM 190 N ASN A 737 -4.189 0.858 4.583 1.00 0.00 N ATOM 191 CA ASN A 737 -4.687 -0.464 4.996 1.00 0.00 C ATOM 192 C ASN A 737 -5.450 -1.086 3.887 1.00 0.00 C ATOM 193 O ASN A 737 -5.767 -0.426 3.055 1.00 0.00 O ATOM 194 CB ASN A 737 -5.627 -0.428 6.225 1.00 0.00 C ATOM 195 CG ASN A 737 -5.119 0.153 7.495 1.00 0.00 C ATOM 196 OD1 ASN A 737 -5.530 -0.269 8.565 1.00 0.00 O ATOM 197 ND2 ASN A 737 -4.279 1.069 7.433 1.00 0.00 N ATOM 0 H ASN A 737 -4.888 1.482 4.179 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.797 -1.034 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -6.521 0.128 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -5.940 -1.451 6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -3.916 1.487 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -3.953 1.402 6.525 1.00 0.00 H new ATOM 204 N PHE A 738 -5.750 -2.398 3.892 1.00 0.00 N ATOM 205 CA PHE A 738 -6.629 -2.932 2.825 1.00 0.00 C ATOM 206 C PHE A 738 -8.013 -2.384 3.051 1.00 0.00 C ATOM 207 O PHE A 738 -8.532 -1.616 2.251 1.00 0.00 O ATOM 208 CB PHE A 738 -6.710 -4.486 2.778 1.00 0.00 C ATOM 209 CG PHE A 738 -7.669 -4.959 1.705 1.00 0.00 C ATOM 210 CD1 PHE A 738 -7.249 -5.086 0.412 1.00 0.00 C ATOM 211 CD2 PHE A 738 -9.009 -5.209 1.994 1.00 0.00 C ATOM 212 CE1 PHE A 738 -8.117 -5.444 -0.582 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.882 -5.580 0.999 1.00 0.00 C ATOM 214 CZ PHE A 738 -9.431 -5.691 -0.294 1.00 0.00 C ATOM 0 H PHE A 738 -5.421 -3.078 4.578 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.200 -2.621 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.719 -4.898 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.032 -4.864 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -6.213 -4.900 0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -9.365 -5.110 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -7.764 -5.532 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.917 -5.783 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.113 -5.973 -1.082 1.00 0.00 H new ATOM 224 N ASP A 739 -8.578 -2.772 4.177 1.00 0.00 N ATOM 225 CA ASP A 739 -9.896 -2.349 4.595 1.00 0.00 C ATOM 226 C ASP A 739 -9.954 -0.854 4.837 1.00 0.00 C ATOM 227 O ASP A 739 -10.962 -0.218 4.584 1.00 0.00 O ATOM 228 CB ASP A 739 -10.312 -3.099 5.856 1.00 0.00 C ATOM 229 CG ASP A 739 -11.681 -2.733 6.310 1.00 0.00 C ATOM 230 OD1 ASP A 739 -12.645 -3.134 5.658 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.801 -2.078 7.347 1.00 0.00 O ATOM 0 H ASP A 739 -8.124 -3.402 4.838 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.591 -2.583 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -10.270 -4.172 5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.599 -2.887 6.653 1.00 0.00 H new ATOM 236 N GLU A 740 -8.861 -0.274 5.286 1.00 0.00 N ATOM 237 CA GLU A 740 -8.864 1.151 5.492 1.00 0.00 C ATOM 238 C GLU A 740 -8.590 1.844 4.199 1.00 0.00 C ATOM 239 O GLU A 740 -9.036 2.920 4.010 1.00 0.00 O ATOM 240 CB GLU A 740 -7.967 1.630 6.617 1.00 0.00 C ATOM 241 CG GLU A 740 -8.416 2.895 7.273 1.00 0.00 C ATOM 242 CD GLU A 740 -7.497 3.304 8.336 1.00 0.00 C ATOM 243 OE1 GLU A 740 -7.628 2.803 9.456 1.00 0.00 O ATOM 244 OE2 GLU A 740 -6.648 4.123 8.076 1.00 0.00 O ATOM 0 H GLU A 740 -7.988 -0.752 5.508 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.863 1.420 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.904 0.847 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.961 1.777 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -8.487 3.687 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -9.415 2.757 7.687 1.00 0.00 H new ATOM 251 N LEU A 741 -7.861 1.186 3.266 1.00 0.00 N ATOM 252 CA LEU A 741 -7.612 1.814 1.899 1.00 0.00 C ATOM 253 C LEU A 741 -8.914 2.179 1.213 1.00 0.00 C ATOM 254 O LEU A 741 -8.966 3.102 0.401 1.00 0.00 O ATOM 255 CB LEU A 741 -6.934 0.838 0.963 1.00 0.00 C ATOM 256 CG LEU A 741 -6.756 1.290 -0.489 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.696 2.363 -0.602 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.460 0.137 -1.407 1.00 0.00 C ATOM 0 H LEU A 741 -7.443 0.265 3.400 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.995 2.692 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.950 0.604 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.508 -0.089 0.963 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.706 1.719 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.592 2.664 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.986 3.226 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.744 1.974 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.341 0.505 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.540 -0.354 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.283 -0.577 -1.372 1.00 0.00 H new ATOM 270 N ARG A 742 -9.960 1.447 1.548 1.00 0.00 N ATOM 271 CA ARG A 742 -11.250 1.618 1.012 1.00 0.00 C ATOM 272 C ARG A 742 -11.703 2.915 1.352 1.00 0.00 C ATOM 273 O ARG A 742 -12.223 3.507 0.562 1.00 0.00 O ATOM 274 CB ARG A 742 -12.208 0.578 1.555 1.00 0.00 C ATOM 275 CG ARG A 742 -11.578 -0.762 1.557 1.00 0.00 C ATOM 276 CD ARG A 742 -11.215 -1.207 0.141 1.00 0.00 C ATOM 277 NE ARG A 742 -12.264 -2.024 -0.477 1.00 0.00 N ATOM 278 CZ ARG A 742 -13.025 -1.687 -1.540 1.00 0.00 C ATOM 279 NH1 ARG A 742 -12.963 -0.464 -2.084 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.865 -2.584 -2.030 1.00 0.00 N ATOM 0 H ARG A 742 -9.906 0.692 2.232 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.210 1.498 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.508 0.846 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -13.114 0.559 0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.681 -0.743 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -12.259 -1.486 2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -11.032 -0.328 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -10.285 -1.776 0.169 1.00 0.00 H new ATOM 0 HE ARG A 742 -12.436 -2.940 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.331 0.236 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.548 -0.233 -2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.928 -3.509 -1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.449 -2.350 -2.833 1.00 0.00 H new ATOM 294 N GLN A 743 -11.324 3.400 2.522 1.00 0.00 N ATOM 295 CA GLN A 743 -11.691 4.748 2.971 1.00 0.00 C ATOM 296 C GLN A 743 -11.321 5.790 1.982 1.00 0.00 C ATOM 297 O GLN A 743 -12.065 6.762 1.755 1.00 0.00 O ATOM 298 CB GLN A 743 -10.936 5.063 4.187 1.00 0.00 C ATOM 299 CG GLN A 743 -11.213 6.446 4.752 1.00 0.00 C ATOM 300 CD GLN A 743 -10.667 6.561 6.096 1.00 0.00 C ATOM 301 OE1 GLN A 743 -10.223 7.627 6.517 1.00 0.00 O ATOM 302 NE2 GLN A 743 -10.741 5.474 6.803 1.00 0.00 N ATOM 0 H GLN A 743 -10.756 2.880 3.190 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.770 4.749 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -11.168 4.319 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -9.871 4.977 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.771 7.205 4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.287 6.630 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -11.121 4.622 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -10.419 5.472 7.771 1.00 0.00 H new ATOM 311 N ASP A 744 -10.195 5.595 1.381 1.00 0.00 N ATOM 312 CA ASP A 744 -9.716 6.556 0.404 1.00 0.00 C ATOM 313 C ASP A 744 -10.415 6.422 -0.904 1.00 0.00 C ATOM 314 O ASP A 744 -10.874 7.406 -1.483 1.00 0.00 O ATOM 315 CB ASP A 744 -8.253 6.448 0.226 1.00 0.00 C ATOM 316 CG ASP A 744 -7.691 7.693 -0.352 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.872 8.752 0.273 1.00 0.00 O ATOM 318 OD2 ASP A 744 -7.064 7.631 -1.410 1.00 0.00 O ATOM 0 H ASP A 744 -9.584 4.793 1.536 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.945 7.547 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -7.781 6.244 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.024 5.605 -0.426 1.00 0.00 H new ATOM 323 N LEU A 745 -10.497 5.220 -1.370 1.00 0.00 N ATOM 324 CA LEU A 745 -11.139 4.952 -2.620 1.00 0.00 C ATOM 325 C LEU A 745 -12.494 4.262 -2.457 1.00 0.00 C ATOM 326 O LEU A 745 -12.776 3.267 -3.129 1.00 0.00 O ATOM 327 CB LEU A 745 -10.173 4.222 -3.596 1.00 0.00 C ATOM 328 CG LEU A 745 -9.268 3.082 -3.031 1.00 0.00 C ATOM 329 CD1 LEU A 745 -10.050 1.868 -2.562 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.233 2.674 -4.057 1.00 0.00 C ATOM 0 H LEU A 745 -10.123 4.396 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 745 -11.379 5.910 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -10.772 3.801 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -9.521 4.973 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.773 3.491 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.360 1.115 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.738 2.162 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.614 1.454 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.610 1.879 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -8.734 2.317 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -7.609 3.532 -4.306 1.00 0.00 H new ATOM 342 N LYS A 746 -13.287 4.702 -1.469 1.00 0.00 N ATOM 343 CA LYS A 746 -14.587 4.016 -1.214 1.00 0.00 C ATOM 344 C LYS A 746 -15.482 4.128 -2.442 1.00 0.00 C ATOM 345 O LYS A 746 -15.765 5.224 -2.904 1.00 0.00 O ATOM 346 CB LYS A 746 -15.365 4.532 0.033 1.00 0.00 C ATOM 347 CG LYS A 746 -14.637 4.444 1.394 1.00 0.00 C ATOM 348 CD LYS A 746 -15.585 4.623 2.579 1.00 0.00 C ATOM 349 CE LYS A 746 -16.588 3.472 2.697 1.00 0.00 C ATOM 350 NZ LYS A 746 -17.548 3.683 3.796 1.00 0.00 N ATOM 0 H LYS A 746 -13.078 5.489 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.328 2.978 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.634 5.574 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.296 3.971 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.139 3.478 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.860 5.207 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -15.005 4.692 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -16.125 5.564 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -17.131 3.367 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -16.050 2.538 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -18.208 2.880 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -17.034 3.758 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -18.081 4.560 3.628 1.00 0.00 H new ATOM 364 N GLY A 747 -15.863 3.004 -2.998 1.00 0.00 N ATOM 365 CA GLY A 747 -16.651 3.015 -4.210 1.00 0.00 C ATOM 366 C GLY A 747 -15.860 2.489 -5.378 1.00 0.00 C ATOM 367 O GLY A 747 -16.401 2.249 -6.454 1.00 0.00 O ATOM 0 H GLY A 747 -15.643 2.076 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -17.546 2.408 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -16.984 4.031 -4.421 1.00 0.00 H new ATOM 371 N LYS A 748 -14.573 2.290 -5.164 1.00 0.00 N ATOM 372 CA LYS A 748 -13.698 1.758 -6.164 1.00 0.00 C ATOM 373 C LYS A 748 -13.651 0.254 -6.034 1.00 0.00 C ATOM 374 O LYS A 748 -13.539 -0.295 -4.919 1.00 0.00 O ATOM 375 CB LYS A 748 -12.277 2.418 -6.053 1.00 0.00 C ATOM 376 CG LYS A 748 -11.166 1.854 -6.964 1.00 0.00 C ATOM 377 CD LYS A 748 -10.560 0.557 -6.403 1.00 0.00 C ATOM 378 CE LYS A 748 -9.729 -0.175 -7.441 1.00 0.00 C ATOM 379 NZ LYS A 748 -8.516 0.583 -7.848 1.00 0.00 N ATOM 0 H LYS A 748 -14.111 2.499 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 748 -14.075 1.995 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -12.381 3.482 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -11.943 2.331 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -11.574 1.663 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -10.380 2.600 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -9.938 0.791 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -11.360 -0.095 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.429 -1.144 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -10.343 -0.368 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -7.987 0.037 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -8.798 1.497 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -7.913 0.746 -7.016 1.00 0.00 H new ATOM 393 N GLY A 749 -13.692 -0.392 -7.163 1.00 0.00 N ATOM 394 CA GLY A 749 -13.613 -1.827 -7.223 1.00 0.00 C ATOM 395 C GLY A 749 -14.967 -2.456 -7.240 1.00 0.00 C ATOM 396 O GLY A 749 -15.926 -1.880 -6.725 1.00 0.00 O ATOM 0 H GLY A 749 -13.781 0.061 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.063 -2.124 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -13.051 -2.196 -6.365 1.00 0.00 H new ATOM 400 N HIS A 750 -15.054 -3.646 -7.763 1.00 0.00 N ATOM 401 CA HIS A 750 -16.322 -4.373 -7.748 1.00 0.00 C ATOM 402 C HIS A 750 -16.309 -5.330 -6.591 1.00 0.00 C ATOM 403 O HIS A 750 -17.161 -5.276 -5.693 1.00 0.00 O ATOM 404 CB HIS A 750 -16.574 -5.128 -9.066 1.00 0.00 C ATOM 405 CG HIS A 750 -16.772 -4.244 -10.261 1.00 0.00 C ATOM 406 ND1 HIS A 750 -18.004 -4.025 -10.836 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.886 -3.528 -10.996 1.00 0.00 C ATOM 408 CE1 HIS A 750 -17.868 -3.213 -11.872 1.00 0.00 C ATOM 409 NE2 HIS A 750 -16.594 -2.897 -11.991 1.00 0.00 N ATOM 0 H HIS A 750 -14.279 -4.142 -8.204 1.00 0.00 H new ATOM 0 HA HIS A 750 -17.134 -3.654 -7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.731 -5.792 -9.257 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -17.455 -5.758 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -14.821 -3.465 -10.830 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -18.666 -2.867 -12.512 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -16.198 -2.285 -12.704 1.00 0.00 H new ATOM 418 N THR A 751 -15.291 -6.135 -6.561 1.00 0.00 N ATOM 419 CA THR A 751 -15.059 -7.039 -5.491 1.00 0.00 C ATOM 420 C THR A 751 -13.724 -6.706 -4.831 1.00 0.00 C ATOM 421 O THR A 751 -12.784 -6.245 -5.495 1.00 0.00 O ATOM 422 CB THR A 751 -15.078 -8.480 -6.015 1.00 0.00 C ATOM 423 OG1 THR A 751 -14.264 -8.617 -7.172 1.00 0.00 O ATOM 424 CG2 THR A 751 -16.456 -9.004 -6.357 1.00 0.00 C ATOM 0 H THR A 751 -14.587 -6.178 -7.298 1.00 0.00 H new ATOM 0 HA THR A 751 -15.847 -6.943 -4.744 1.00 0.00 H new ATOM 0 HB THR A 751 -14.691 -9.071 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 751 -14.293 -9.545 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 751 -16.376 -10.029 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 751 -17.085 -8.982 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.901 -8.379 -7.131 1.00 0.00 H new ATOM 432 N ASP A 752 -13.645 -6.950 -3.547 1.00 0.00 N ATOM 433 CA ASP A 752 -12.443 -6.720 -2.758 1.00 0.00 C ATOM 434 C ASP A 752 -11.307 -7.609 -3.188 1.00 0.00 C ATOM 435 O ASP A 752 -10.156 -7.206 -3.112 1.00 0.00 O ATOM 436 CB ASP A 752 -12.737 -6.817 -1.261 1.00 0.00 C ATOM 437 CG ASP A 752 -13.657 -5.729 -0.800 1.00 0.00 C ATOM 438 OD1 ASP A 752 -14.875 -5.891 -0.918 1.00 0.00 O ATOM 439 OD2 ASP A 752 -13.170 -4.686 -0.342 1.00 0.00 O ATOM 0 H ASP A 752 -14.424 -7.321 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.112 -5.699 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.183 -7.787 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.802 -6.762 -0.703 1.00 0.00 H new ATOM 444 N ALA A 753 -11.634 -8.812 -3.664 1.00 0.00 N ATOM 445 CA ALA A 753 -10.622 -9.776 -4.125 1.00 0.00 C ATOM 446 C ALA A 753 -9.744 -9.208 -5.256 1.00 0.00 C ATOM 447 O ALA A 753 -8.570 -9.541 -5.344 1.00 0.00 O ATOM 448 CB ALA A 753 -11.277 -11.075 -4.577 1.00 0.00 C ATOM 0 H ALA A 753 -12.594 -9.147 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.972 -9.979 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.509 -11.772 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.826 -11.514 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -11.965 -10.869 -5.397 1.00 0.00 H new ATOM 454 N GLU A 754 -10.305 -8.313 -6.070 1.00 0.00 N ATOM 455 CA GLU A 754 -9.556 -7.635 -7.146 1.00 0.00 C ATOM 456 C GLU A 754 -8.480 -6.713 -6.566 1.00 0.00 C ATOM 457 O GLU A 754 -7.368 -6.626 -7.077 1.00 0.00 O ATOM 458 CB GLU A 754 -10.510 -6.819 -7.998 1.00 0.00 C ATOM 459 CG GLU A 754 -11.614 -7.635 -8.614 1.00 0.00 C ATOM 460 CD GLU A 754 -12.613 -6.783 -9.285 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.536 -6.347 -8.625 1.00 0.00 O ATOM 462 OE2 GLU A 754 -12.469 -6.539 -10.471 1.00 0.00 O ATOM 0 H GLU A 754 -11.284 -8.034 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.071 -8.396 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -10.949 -6.032 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -9.946 -6.328 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -11.191 -8.335 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.102 -8.229 -7.841 1.00 0.00 H new ATOM 469 N ILE A 755 -8.832 -6.029 -5.497 1.00 0.00 N ATOM 470 CA ILE A 755 -7.921 -5.125 -4.810 1.00 0.00 C ATOM 471 C ILE A 755 -6.915 -5.957 -4.012 1.00 0.00 C ATOM 472 O ILE A 755 -5.725 -5.638 -3.933 1.00 0.00 O ATOM 473 CB ILE A 755 -8.692 -4.138 -3.893 1.00 0.00 C ATOM 474 CG1 ILE A 755 -9.782 -3.432 -4.704 1.00 0.00 C ATOM 475 CG2 ILE A 755 -7.746 -3.097 -3.295 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.559 -2.414 -3.913 1.00 0.00 C ATOM 0 H ILE A 755 -9.759 -6.082 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.389 -4.519 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.143 -4.704 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -9.323 -2.940 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -10.472 -4.179 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -8.310 -2.417 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -6.980 -3.599 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -7.273 -2.532 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.313 -1.955 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.047 -2.903 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.880 -1.645 -3.543 1.00 0.00 H new ATOM 488 N GLU A 756 -7.410 -7.040 -3.458 1.00 0.00 N ATOM 489 CA GLU A 756 -6.608 -7.994 -2.721 1.00 0.00 C ATOM 490 C GLU A 756 -5.512 -8.574 -3.631 1.00 0.00 C ATOM 491 O GLU A 756 -4.365 -8.795 -3.212 1.00 0.00 O ATOM 492 CB GLU A 756 -7.525 -9.103 -2.223 1.00 0.00 C ATOM 493 CG GLU A 756 -6.879 -10.155 -1.370 1.00 0.00 C ATOM 494 CD GLU A 756 -7.837 -11.223 -1.057 1.00 0.00 C ATOM 495 OE1 GLU A 756 -8.639 -11.041 -0.152 1.00 0.00 O ATOM 496 OE2 GLU A 756 -7.809 -12.249 -1.736 1.00 0.00 O ATOM 0 H GLU A 756 -8.398 -7.288 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 756 -6.123 -7.506 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.336 -8.649 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -7.976 -9.590 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -6.016 -10.573 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -6.510 -9.707 -0.447 1.00 0.00 H new ATOM 503 N ALA A 757 -5.874 -8.787 -4.876 1.00 0.00 N ATOM 504 CA ALA A 757 -4.951 -9.328 -5.863 1.00 0.00 C ATOM 505 C ALA A 757 -3.839 -8.342 -6.198 1.00 0.00 C ATOM 506 O ALA A 757 -2.679 -8.727 -6.296 1.00 0.00 O ATOM 507 CB ALA A 757 -5.688 -9.742 -7.128 1.00 0.00 C ATOM 0 H ALA A 757 -6.808 -8.594 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.491 -10.212 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -4.976 -10.143 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.427 -10.505 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.190 -8.875 -7.557 1.00 0.00 H new ATOM 513 N ILE A 758 -4.193 -7.078 -6.397 1.00 0.00 N ATOM 514 CA ILE A 758 -3.207 -6.069 -6.772 1.00 0.00 C ATOM 515 C ILE A 758 -2.208 -5.763 -5.633 1.00 0.00 C ATOM 516 O ILE A 758 -1.010 -5.624 -5.893 1.00 0.00 O ATOM 517 CB ILE A 758 -3.892 -4.764 -7.400 1.00 0.00 C ATOM 518 CG1 ILE A 758 -2.888 -3.671 -7.870 1.00 0.00 C ATOM 519 CG2 ILE A 758 -4.898 -4.143 -6.457 1.00 0.00 C ATOM 520 CD1 ILE A 758 -2.339 -2.761 -6.773 1.00 0.00 C ATOM 0 H ILE A 758 -5.147 -6.728 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 758 -2.601 -6.496 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 758 -4.400 -5.136 -8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -2.049 -4.162 -8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.379 -3.050 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -5.338 -3.261 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -5.683 -4.866 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -4.399 -3.854 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -1.651 -2.038 -7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -3.163 -2.233 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -1.812 -3.362 -6.032 1.00 0.00 H new ATOM 532 N PHE A 759 -2.687 -5.656 -4.375 1.00 0.00 N ATOM 533 CA PHE A 759 -1.784 -5.307 -3.256 1.00 0.00 C ATOM 534 C PHE A 759 -0.717 -6.340 -3.025 1.00 0.00 C ATOM 535 O PHE A 759 0.327 -6.028 -2.471 1.00 0.00 O ATOM 536 CB PHE A 759 -2.512 -4.985 -1.925 1.00 0.00 C ATOM 537 CG PHE A 759 -3.014 -6.147 -1.070 1.00 0.00 C ATOM 538 CD1 PHE A 759 -2.129 -6.997 -0.414 1.00 0.00 C ATOM 539 CD2 PHE A 759 -4.354 -6.349 -0.884 1.00 0.00 C ATOM 540 CE1 PHE A 759 -2.576 -8.012 0.385 1.00 0.00 C ATOM 541 CE2 PHE A 759 -4.808 -7.377 -0.073 1.00 0.00 C ATOM 542 CZ PHE A 759 -3.918 -8.204 0.555 1.00 0.00 C ATOM 0 H PHE A 759 -3.662 -5.801 -4.113 1.00 0.00 H new ATOM 0 HA PHE A 759 -1.307 -4.384 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -1.835 -4.391 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -3.368 -4.352 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -1.066 -6.852 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -5.065 -5.701 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -1.870 -8.661 0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -5.869 -7.526 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 759 -4.275 -9.007 1.183 1.00 0.00 H new ATOM 552 N THR A 760 -1.029 -7.588 -3.327 1.00 0.00 N ATOM 553 CA THR A 760 -0.119 -8.679 -3.023 1.00 0.00 C ATOM 554 C THR A 760 1.245 -8.447 -3.697 1.00 0.00 C ATOM 555 O THR A 760 2.280 -8.535 -3.046 1.00 0.00 O ATOM 556 CB THR A 760 -0.746 -10.030 -3.432 1.00 0.00 C ATOM 557 OG1 THR A 760 -1.982 -10.260 -2.741 1.00 0.00 O ATOM 558 CG2 THR A 760 0.142 -11.234 -3.168 1.00 0.00 C ATOM 0 H THR A 760 -1.899 -7.870 -3.779 1.00 0.00 H new ATOM 0 HA THR A 760 0.053 -8.711 -1.947 1.00 0.00 H new ATOM 0 HB THR A 760 -0.897 -9.939 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 760 -2.657 -9.624 -3.058 1.00 0.00 H new ATOM 0 HG21 THR A 760 -0.373 -12.142 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 760 1.071 -11.130 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 760 0.365 -11.295 -2.103 1.00 0.00 H new ATOM 566 N LYS A 761 1.250 -8.070 -4.957 1.00 0.00 N ATOM 567 CA LYS A 761 2.499 -7.756 -5.610 1.00 0.00 C ATOM 568 C LYS A 761 2.850 -6.254 -5.533 1.00 0.00 C ATOM 569 O LYS A 761 4.028 -5.898 -5.551 1.00 0.00 O ATOM 570 CB LYS A 761 2.499 -8.234 -7.082 1.00 0.00 C ATOM 571 CG LYS A 761 3.786 -7.903 -7.848 1.00 0.00 C ATOM 572 CD LYS A 761 5.012 -8.583 -7.240 1.00 0.00 C ATOM 573 CE LYS A 761 6.287 -7.878 -7.669 1.00 0.00 C ATOM 574 NZ LYS A 761 6.309 -6.481 -7.165 1.00 0.00 N ATOM 0 H LYS A 761 0.419 -7.975 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 761 3.273 -8.297 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 761 2.344 -9.313 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.654 -7.781 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 761 3.678 -8.214 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 761 3.936 -6.823 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 761 4.935 -8.576 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 761 5.046 -9.627 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 761 7.153 -8.420 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 761 6.361 -7.879 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 6.230 -5.822 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 5.510 -6.334 -6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 7.202 -6.308 -6.661 1.00 0.00 H new ATOM 588 N TYR A 762 1.849 -5.400 -5.701 1.00 0.00 N ATOM 589 CA TYR A 762 2.109 -3.972 -5.934 1.00 0.00 C ATOM 590 C TYR A 762 2.077 -3.040 -4.712 1.00 0.00 C ATOM 591 O TYR A 762 2.403 -1.861 -4.854 1.00 0.00 O ATOM 592 CB TYR A 762 1.238 -3.453 -7.084 1.00 0.00 C ATOM 593 CG TYR A 762 1.425 -4.274 -8.344 1.00 0.00 C ATOM 594 CD1 TYR A 762 2.493 -4.042 -9.192 1.00 0.00 C ATOM 595 CD2 TYR A 762 0.561 -5.318 -8.651 1.00 0.00 C ATOM 596 CE1 TYR A 762 2.692 -4.818 -10.310 1.00 0.00 C ATOM 597 CE2 TYR A 762 0.760 -6.105 -9.760 1.00 0.00 C ATOM 598 CZ TYR A 762 1.827 -5.850 -10.589 1.00 0.00 C ATOM 599 OH TYR A 762 2.045 -6.646 -11.692 1.00 0.00 O ATOM 0 H TYR A 762 0.862 -5.658 -5.682 1.00 0.00 H new ATOM 0 HA TYR A 762 3.162 -3.935 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 762 0.190 -3.477 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 762 1.487 -2.412 -7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 762 3.181 -3.239 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -0.283 -5.515 -8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 762 3.525 -4.617 -10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 762 0.083 -6.918 -9.979 1.00 0.00 H new ATOM 0 HH TYR A 762 1.344 -7.329 -11.746 1.00 0.00 H new ATOM 609 N ASP A 763 1.748 -3.544 -3.526 1.00 0.00 N ATOM 610 CA ASP A 763 1.782 -2.691 -2.305 1.00 0.00 C ATOM 611 C ASP A 763 3.228 -2.531 -1.846 1.00 0.00 C ATOM 612 O ASP A 763 4.081 -3.370 -2.204 1.00 0.00 O ATOM 613 CB ASP A 763 0.890 -3.267 -1.177 1.00 0.00 C ATOM 614 CG ASP A 763 0.919 -2.468 0.092 1.00 0.00 C ATOM 615 OD1 ASP A 763 0.173 -1.486 0.187 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.695 -2.812 0.992 1.00 0.00 O ATOM 0 H ASP A 763 1.460 -4.510 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 763 1.374 -1.710 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.138 -3.325 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.210 -4.286 -0.960 1.00 0.00 H new ATOM 621 N GLN A 764 3.538 -1.425 -1.134 1.00 0.00 N ATOM 622 CA GLN A 764 4.916 -1.154 -0.714 1.00 0.00 C ATOM 623 C GLN A 764 5.478 -2.291 0.129 1.00 0.00 C ATOM 624 O GLN A 764 6.618 -2.709 -0.073 1.00 0.00 O ATOM 625 CB GLN A 764 5.083 0.213 0.017 1.00 0.00 C ATOM 626 CG GLN A 764 4.526 0.302 1.441 1.00 0.00 C ATOM 627 CD GLN A 764 4.860 1.627 2.114 1.00 0.00 C ATOM 628 OE1 GLN A 764 5.047 1.688 3.326 1.00 0.00 O ATOM 629 NE2 GLN A 764 4.931 2.695 1.346 1.00 0.00 N ATOM 0 H GLN A 764 2.859 -0.720 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 764 5.496 -1.086 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 764 6.146 0.453 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 764 4.601 0.983 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 764 3.444 0.174 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 764 4.928 -0.517 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 764 4.771 2.613 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 764 5.146 3.604 1.755 1.00 0.00 H new ATOM 638 N ASP A 765 4.676 -2.823 1.045 1.00 0.00 N ATOM 639 CA ASP A 765 5.130 -3.942 1.835 1.00 0.00 C ATOM 640 C ASP A 765 4.437 -5.222 1.381 1.00 0.00 C ATOM 641 O ASP A 765 4.757 -6.319 1.845 1.00 0.00 O ATOM 642 CB ASP A 765 4.866 -3.677 3.321 1.00 0.00 C ATOM 643 CG ASP A 765 5.469 -4.702 4.213 1.00 0.00 C ATOM 644 OD1 ASP A 765 6.695 -4.808 4.231 1.00 0.00 O ATOM 645 OD2 ASP A 765 4.732 -5.406 4.899 1.00 0.00 O ATOM 0 H ASP A 765 3.730 -2.501 1.250 1.00 0.00 H new ATOM 0 HA ASP A 765 6.204 -4.066 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 765 5.262 -2.696 3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 765 3.790 -3.643 3.492 1.00 0.00 H new ATOM 650 N GLY A 766 3.504 -5.083 0.455 1.00 0.00 N ATOM 651 CA GLY A 766 2.750 -6.231 -0.024 1.00 0.00 C ATOM 652 C GLY A 766 1.793 -6.700 1.033 1.00 0.00 C ATOM 653 O GLY A 766 1.540 -7.904 1.164 1.00 0.00 O ATOM 0 H GLY A 766 3.251 -4.195 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 766 2.203 -5.964 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 766 3.432 -7.038 -0.291 1.00 0.00 H new ATOM 657 N ASP A 767 1.334 -5.760 1.859 1.00 0.00 N ATOM 658 CA ASP A 767 0.489 -6.095 2.983 1.00 0.00 C ATOM 659 C ASP A 767 -0.870 -5.449 2.850 1.00 0.00 C ATOM 660 O ASP A 767 -1.857 -6.158 2.740 1.00 0.00 O ATOM 661 CB ASP A 767 1.149 -5.681 4.303 1.00 0.00 C ATOM 662 CG ASP A 767 0.467 -6.267 5.498 1.00 0.00 C ATOM 663 OD1 ASP A 767 0.856 -7.366 5.907 1.00 0.00 O ATOM 664 OD2 ASP A 767 -0.441 -5.645 6.048 1.00 0.00 O ATOM 0 H ASP A 767 1.538 -4.765 1.763 1.00 0.00 H new ATOM 0 HA ASP A 767 0.355 -7.177 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.193 -5.994 4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.142 -4.594 4.383 1.00 0.00 H new ATOM 669 N GLN A 768 -0.908 -4.087 2.908 1.00 0.00 N ATOM 670 CA GLN A 768 -2.140 -3.288 2.841 1.00 0.00 C ATOM 671 C GLN A 768 -3.048 -3.693 4.017 1.00 0.00 C ATOM 672 O GLN A 768 -3.769 -4.668 3.967 1.00 0.00 O ATOM 673 CB GLN A 768 -2.806 -3.413 1.456 1.00 0.00 C ATOM 674 CG GLN A 768 -3.623 -2.198 1.045 1.00 0.00 C ATOM 675 CD GLN A 768 -4.135 -2.292 -0.377 1.00 0.00 C ATOM 676 OE1 GLN A 768 -3.476 -1.853 -1.315 1.00 0.00 O ATOM 677 NE2 GLN A 768 -5.297 -2.856 -0.551 1.00 0.00 N ATOM 0 H GLN A 768 -0.067 -3.518 3.004 1.00 0.00 H new ATOM 0 HA GLN A 768 -1.920 -2.226 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -2.033 -3.587 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -3.454 -4.290 1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.468 -2.087 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -3.011 -1.302 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -5.817 -3.210 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -5.686 -2.944 -1.490 1.00 0.00 H new ATOM 686 N GLU A 769 -2.981 -2.857 5.041 1.00 0.00 N ATOM 687 CA GLU A 769 -3.608 -2.934 6.412 1.00 0.00 C ATOM 688 C GLU A 769 -2.516 -2.551 7.395 1.00 0.00 C ATOM 689 O GLU A 769 -2.355 -3.145 8.467 1.00 0.00 O ATOM 690 CB GLU A 769 -4.239 -4.297 6.838 1.00 0.00 C ATOM 691 CG GLU A 769 -5.648 -4.545 6.304 1.00 0.00 C ATOM 692 CD GLU A 769 -6.276 -5.752 6.903 1.00 0.00 C ATOM 693 OE1 GLU A 769 -6.055 -6.848 6.392 1.00 0.00 O ATOM 694 OE2 GLU A 769 -7.000 -5.607 7.883 1.00 0.00 O ATOM 0 H GLU A 769 -2.432 -2.002 4.953 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.467 -2.264 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -3.590 -5.104 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.264 -4.345 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.270 -3.674 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.608 -4.659 5.221 1.00 0.00 H new ATOM 701 N LEU A 770 -1.718 -1.602 6.967 1.00 0.00 N ATOM 702 CA LEU A 770 -0.555 -1.155 7.663 1.00 0.00 C ATOM 703 C LEU A 770 -0.800 0.172 8.304 1.00 0.00 C ATOM 704 O LEU A 770 -1.330 1.112 7.676 1.00 0.00 O ATOM 705 CB LEU A 770 0.583 -1.012 6.673 1.00 0.00 C ATOM 706 CG LEU A 770 1.071 -2.281 6.009 1.00 0.00 C ATOM 707 CD1 LEU A 770 2.025 -1.947 4.887 1.00 0.00 C ATOM 708 CD2 LEU A 770 1.768 -3.165 7.016 1.00 0.00 C ATOM 0 H LEU A 770 -1.875 -1.107 6.089 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.308 -1.882 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.270 -0.319 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.426 -0.552 7.188 1.00 0.00 H new ATOM 0 HG LEU A 770 0.209 -2.812 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 770 2.370 -2.868 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 770 1.515 -1.330 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 770 2.880 -1.402 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 770 2.114 -4.074 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 770 2.621 -2.634 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 770 1.073 -3.426 7.814 1.00 0.00 H new ATOM 720 N THR A 771 -0.427 0.245 9.536 1.00 0.00 N ATOM 721 CA THR A 771 -0.592 1.414 10.295 1.00 0.00 C ATOM 722 C THR A 771 0.769 1.890 10.810 1.00 0.00 C ATOM 723 O THR A 771 1.522 1.117 11.415 1.00 0.00 O ATOM 724 CB THR A 771 -1.552 1.121 11.465 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.722 0.449 11.001 1.00 0.00 O ATOM 726 CG2 THR A 771 -2.024 2.352 12.212 1.00 0.00 C ATOM 0 H THR A 771 0.008 -0.526 10.043 1.00 0.00 H new ATOM 0 HA THR A 771 -1.018 2.205 9.679 1.00 0.00 H new ATOM 0 HB THR A 771 -0.964 0.507 12.148 1.00 0.00 H new ATOM 0 HG1 THR A 771 -3.318 0.270 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 771 -2.695 2.054 13.018 1.00 0.00 H new ATOM 0 HG22 THR A 771 -1.164 2.876 12.630 1.00 0.00 H new ATOM 0 HG23 THR A 771 -2.553 3.013 11.526 1.00 0.00 H new