USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=12 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 Set 1.1: A 743 GLN :FLIP amide:sc= -1.05 F(o=-2.3!,f=-1) USER MOD Set 1.2: A 746 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 2.1: A 737 ASN :FLIP amide:sc= -0.522 F(o=-2.7!,f=-0.52) USER MOD Set 2.2: A 771 THR OG1 : rot 180:sc= 0 USER MOD Single : A 731 GLN :FLIP amide:sc= -3.35! C(o=-5.9!,f=-3.3!) USER MOD Single : A 735 LYS NZ :NH3+ 143:sc= 2.39 (180deg=0.0507) USER MOD Single : A 748 LYS NZ :NH3+ -135:sc= -0.232 (180deg=-1.39!) USER MOD Single : A 750 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 751 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 760 THR OG1 : rot 180:sc= 0.00365 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 :FLIP amide:sc= -0.957 F(o=-3.1!,f=-0.96) USER MOD Single : A 768 GLN : amide:sc= -6! C(o=-6!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -6.753 13.343 5.235 1.00 0.00 N ATOM 69 CA LEU A 729 -7.318 13.196 3.937 1.00 0.00 C ATOM 70 C LEU A 729 -8.526 12.291 4.120 1.00 0.00 C ATOM 71 O LEU A 729 -9.052 12.183 5.233 1.00 0.00 O ATOM 72 CB LEU A 729 -6.305 12.571 2.921 1.00 0.00 C ATOM 73 CG LEU A 729 -5.076 13.413 2.493 1.00 0.00 C ATOM 74 CD1 LEU A 729 -4.108 13.666 3.631 1.00 0.00 C ATOM 75 CD2 LEU A 729 -4.358 12.739 1.344 1.00 0.00 C ATOM 0 HA LEU A 729 -7.590 14.166 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -5.936 11.640 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -6.858 12.309 2.019 1.00 0.00 H new ATOM 0 HG LEU A 729 -5.455 14.385 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -3.269 14.260 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -4.618 14.206 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -3.740 12.714 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -3.496 13.339 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -4.023 11.750 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -5.037 12.642 0.497 1.00 0.00 H new ATOM 87 N ARG A 730 -8.851 11.536 3.121 1.00 0.00 N ATOM 88 CA ARG A 730 -9.880 10.557 3.195 1.00 0.00 C ATOM 89 C ARG A 730 -9.466 9.398 4.069 1.00 0.00 C ATOM 90 O ARG A 730 -10.175 9.028 4.979 1.00 0.00 O ATOM 91 CB ARG A 730 -10.314 10.134 1.804 1.00 0.00 C ATOM 92 CG ARG A 730 -9.217 10.043 0.746 1.00 0.00 C ATOM 93 CD ARG A 730 -9.825 9.648 -0.582 1.00 0.00 C ATOM 94 NE ARG A 730 -10.942 10.535 -0.948 1.00 0.00 N ATOM 95 CZ ARG A 730 -12.046 10.123 -1.591 1.00 0.00 C ATOM 96 NH1 ARG A 730 -12.127 8.879 -2.012 1.00 0.00 N ATOM 97 NH2 ARG A 730 -13.048 10.964 -1.814 1.00 0.00 N ATOM 0 H ARG A 730 -8.395 11.586 2.210 1.00 0.00 H new ATOM 0 HA ARG A 730 -10.755 10.997 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -10.797 9.160 1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -11.069 10.838 1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -8.707 11.002 0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -8.468 9.311 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -9.061 9.684 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -10.178 8.618 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 730 -10.873 11.521 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -11.354 8.234 -1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -12.963 8.560 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -12.983 11.931 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -13.884 10.643 -2.303 1.00 0.00 H new ATOM 111 N GLN A 731 -8.246 8.918 3.875 1.00 0.00 N ATOM 112 CA GLN A 731 -7.688 7.918 4.735 1.00 0.00 C ATOM 113 C GLN A 731 -7.327 8.486 6.106 1.00 0.00 C ATOM 114 O GLN A 731 -6.822 7.785 6.948 1.00 0.00 O ATOM 115 CB GLN A 731 -6.505 7.218 4.101 1.00 0.00 C ATOM 116 CG GLN A 731 -6.820 6.497 2.842 1.00 0.00 C ATOM 117 CD GLN A 731 -5.622 5.811 2.410 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.428 4.689 2.997 1.00 0.00 O flip ATOM 119 NE2 GLN A 731 -4.843 6.316 1.620 1.00 0.00 N flip ATOM 0 H GLN A 731 -7.629 9.216 3.119 1.00 0.00 H new ATOM 0 HA GLN A 731 -8.464 7.167 4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -5.728 7.955 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -6.092 6.508 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.630 5.786 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -7.156 7.196 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -5.064 7.214 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -3.971 5.840 1.389 1.00 0.00 H new ATOM 128 N GLY A 732 -7.428 9.792 6.262 1.00 0.00 N ATOM 129 CA GLY A 732 -7.031 10.411 7.510 1.00 0.00 C ATOM 130 C GLY A 732 -5.616 10.869 7.453 1.00 0.00 C ATOM 131 O GLY A 732 -5.103 11.464 8.383 1.00 0.00 O ATOM 0 H GLY A 732 -7.776 10.436 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -7.683 11.258 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -7.154 9.701 8.328 1.00 0.00 H new ATOM 135 N GLY A 733 -4.984 10.585 6.353 1.00 0.00 N ATOM 136 CA GLY A 733 -3.627 10.939 6.152 1.00 0.00 C ATOM 137 C GLY A 733 -3.071 10.120 5.066 1.00 0.00 C ATOM 138 O GLY A 733 -3.835 9.516 4.310 1.00 0.00 O ATOM 0 H GLY A 733 -5.409 10.095 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -3.548 11.997 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -3.058 10.784 7.069 1.00 0.00 H new ATOM 142 N GLY A 734 -1.779 10.037 4.992 1.00 0.00 N ATOM 143 CA GLY A 734 -1.182 9.231 3.983 1.00 0.00 C ATOM 144 C GLY A 734 -0.582 7.994 4.534 1.00 0.00 C ATOM 145 O GLY A 734 0.598 7.721 4.325 1.00 0.00 O ATOM 0 H GLY A 734 -1.126 10.514 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -1.934 8.967 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -0.413 9.807 3.468 1.00 0.00 H new ATOM 149 N LYS A 735 -1.404 7.171 5.110 1.00 0.00 N ATOM 150 CA LYS A 735 -0.964 5.886 5.498 1.00 0.00 C ATOM 151 C LYS A 735 -1.875 4.966 4.784 1.00 0.00 C ATOM 152 O LYS A 735 -2.963 5.391 4.375 1.00 0.00 O ATOM 153 CB LYS A 735 -0.936 5.667 7.043 1.00 0.00 C ATOM 154 CG LYS A 735 -2.207 5.165 7.760 1.00 0.00 C ATOM 155 CD LYS A 735 -3.412 6.096 7.752 1.00 0.00 C ATOM 156 CE LYS A 735 -4.483 5.504 8.689 1.00 0.00 C ATOM 157 NZ LYS A 735 -5.702 6.316 8.811 1.00 0.00 N ATOM 0 H LYS A 735 -2.382 7.376 5.317 1.00 0.00 H new ATOM 0 HA LYS A 735 0.079 5.717 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.137 4.957 7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.654 6.614 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -2.504 4.221 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -1.950 4.951 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.124 7.093 8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -3.806 6.199 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -4.757 4.513 8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -4.048 5.373 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -6.530 5.691 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -5.643 6.905 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -5.797 6.928 7.975 1.00 0.00 H new ATOM 171 N LEU A 736 -1.518 3.752 4.601 1.00 0.00 N ATOM 172 CA LEU A 736 -2.411 2.919 3.855 1.00 0.00 C ATOM 173 C LEU A 736 -2.761 1.789 4.641 1.00 0.00 C ATOM 174 O LEU A 736 -1.896 1.066 5.005 1.00 0.00 O ATOM 175 CB LEU A 736 -1.757 2.383 2.593 1.00 0.00 C ATOM 176 CG LEU A 736 -1.319 3.386 1.525 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.695 2.662 0.353 1.00 0.00 C ATOM 178 CD2 LEU A 736 -2.484 4.208 1.044 1.00 0.00 C ATOM 0 H LEU A 736 -0.658 3.317 4.935 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.278 3.526 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -0.880 1.809 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.453 1.684 2.128 1.00 0.00 H new ATOM 0 HG LEU A 736 -0.584 4.053 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -0.387 3.387 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 736 0.175 2.101 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -1.423 1.975 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -2.144 4.913 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.241 3.551 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -2.913 4.757 1.882 1.00 0.00 H new ATOM 190 N ASN A 737 -4.011 1.471 4.755 1.00 0.00 N ATOM 191 CA ASN A 737 -4.300 0.207 5.377 1.00 0.00 C ATOM 192 C ASN A 737 -5.139 -0.575 4.405 1.00 0.00 C ATOM 193 O ASN A 737 -5.571 0.009 3.532 1.00 0.00 O ATOM 194 CB ASN A 737 -5.028 0.252 6.762 1.00 0.00 C ATOM 195 CG ASN A 737 -4.550 1.264 7.748 1.00 0.00 C ATOM 196 OD1 ASN A 737 -3.384 1.679 7.596 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -5.303 1.708 8.610 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.810 2.026 4.448 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.336 -0.247 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -6.088 0.430 6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -4.944 -0.733 7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -6.250 1.339 8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -4.982 2.446 9.237 1.00 0.00 H new ATOM 204 N PHE A 738 -5.268 -1.912 4.479 1.00 0.00 N ATOM 205 CA PHE A 738 -6.149 -2.631 3.512 1.00 0.00 C ATOM 206 C PHE A 738 -7.508 -1.936 3.480 1.00 0.00 C ATOM 207 O PHE A 738 -7.910 -1.364 2.470 1.00 0.00 O ATOM 208 CB PHE A 738 -6.374 -4.119 3.903 1.00 0.00 C ATOM 209 CG PHE A 738 -7.209 -4.845 2.870 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.599 -4.795 2.892 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.601 -5.503 1.846 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.337 -5.399 1.908 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.331 -6.094 0.851 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.694 -6.040 0.883 1.00 0.00 C ATOM 0 H PHE A 738 -4.800 -2.505 5.164 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.657 -2.609 2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.411 -4.618 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.868 -4.170 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -9.102 -4.274 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.523 -5.560 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.416 -5.370 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -6.829 -6.603 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.269 -6.505 0.096 1.00 0.00 H new ATOM 224 N ASP A 739 -8.152 -1.941 4.633 1.00 0.00 N ATOM 225 CA ASP A 739 -9.436 -1.292 4.859 1.00 0.00 C ATOM 226 C ASP A 739 -9.345 0.234 4.702 1.00 0.00 C ATOM 227 O ASP A 739 -10.316 0.893 4.339 1.00 0.00 O ATOM 228 CB ASP A 739 -9.978 -1.656 6.238 1.00 0.00 C ATOM 229 CG ASP A 739 -11.388 -1.221 6.427 1.00 0.00 C ATOM 230 OD1 ASP A 739 -12.290 -1.941 5.985 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.610 -0.168 7.024 1.00 0.00 O ATOM 0 H ASP A 739 -7.788 -2.409 5.463 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.126 -1.656 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.912 -2.735 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.353 -1.196 7.004 1.00 0.00 H new ATOM 236 N GLU A 740 -8.186 0.800 5.008 1.00 0.00 N ATOM 237 CA GLU A 740 -8.017 2.251 4.944 1.00 0.00 C ATOM 238 C GLU A 740 -7.779 2.674 3.510 1.00 0.00 C ATOM 239 O GLU A 740 -8.222 3.722 3.081 1.00 0.00 O ATOM 240 CB GLU A 740 -6.880 2.704 5.844 1.00 0.00 C ATOM 241 CG GLU A 740 -6.740 4.182 6.061 1.00 0.00 C ATOM 242 CD GLU A 740 -7.782 4.725 6.963 1.00 0.00 C ATOM 243 OE1 GLU A 740 -7.641 4.558 8.178 1.00 0.00 O ATOM 244 OE2 GLU A 740 -8.715 5.329 6.487 1.00 0.00 O ATOM 0 H GLU A 740 -7.355 0.286 5.300 1.00 0.00 H new ATOM 0 HA GLU A 740 -8.928 2.729 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.005 2.228 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -5.945 2.332 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -5.756 4.393 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -6.794 4.694 5.100 1.00 0.00 H new ATOM 251 N LEU A 741 -7.086 1.845 2.761 1.00 0.00 N ATOM 252 CA LEU A 741 -6.833 2.107 1.336 1.00 0.00 C ATOM 253 C LEU A 741 -8.142 2.247 0.560 1.00 0.00 C ATOM 254 O LEU A 741 -8.187 2.880 -0.476 1.00 0.00 O ATOM 255 CB LEU A 741 -6.059 0.979 0.699 1.00 0.00 C ATOM 256 CG LEU A 741 -5.842 1.152 -0.823 1.00 0.00 C ATOM 257 CD1 LEU A 741 -4.692 2.081 -1.139 1.00 0.00 C ATOM 258 CD2 LEU A 741 -5.732 -0.140 -1.565 1.00 0.00 C ATOM 0 H LEU A 741 -6.680 0.975 3.105 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.260 3.033 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.088 0.895 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.587 0.042 0.877 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.753 1.627 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.581 2.169 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.891 3.065 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -3.773 1.681 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.581 0.061 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.886 -0.710 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -6.648 -0.715 -1.432 1.00 0.00 H new ATOM 270 N ARG A 742 -9.188 1.594 1.043 1.00 0.00 N ATOM 271 CA ARG A 742 -10.469 1.588 0.405 1.00 0.00 C ATOM 272 C ARG A 742 -10.942 2.947 0.310 1.00 0.00 C ATOM 273 O ARG A 742 -11.434 3.284 -0.654 1.00 0.00 O ATOM 274 CB ARG A 742 -11.469 0.748 1.169 1.00 0.00 C ATOM 275 CG ARG A 742 -10.859 -0.517 1.634 1.00 0.00 C ATOM 276 CD ARG A 742 -10.411 -1.411 0.467 1.00 0.00 C ATOM 277 NE ARG A 742 -11.429 -2.396 0.114 1.00 0.00 N ATOM 278 CZ ARG A 742 -12.097 -2.469 -1.054 1.00 0.00 C ATOM 279 NH1 ARG A 742 -11.917 -1.541 -2.020 1.00 0.00 N ATOM 280 NH2 ARG A 742 -12.950 -3.467 -1.239 1.00 0.00 N ATOM 0 H ARG A 742 -9.156 1.048 1.904 1.00 0.00 H new ATOM 0 HA ARG A 742 -10.364 1.149 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -11.843 1.311 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -12.326 0.529 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.001 -0.293 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -11.577 -1.059 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -10.190 -0.791 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -9.488 -1.924 0.736 1.00 0.00 H new ATOM 0 HE ARG A 742 -11.657 -3.097 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -11.267 -0.769 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -12.431 -1.612 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.090 -4.161 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -13.466 -3.541 -2.116 1.00 0.00 H new ATOM 294 N GLN A 743 -10.630 3.774 1.295 1.00 0.00 N ATOM 295 CA GLN A 743 -11.033 5.221 1.254 1.00 0.00 C ATOM 296 C GLN A 743 -10.602 5.904 -0.003 1.00 0.00 C ATOM 297 O GLN A 743 -11.240 6.822 -0.469 1.00 0.00 O ATOM 298 CB GLN A 743 -10.378 6.012 2.350 1.00 0.00 C ATOM 299 CG GLN A 743 -11.200 6.233 3.574 1.00 0.00 C ATOM 300 CD GLN A 743 -11.436 5.011 4.405 1.00 0.00 C ATOM 301 OE1 GLN A 743 -10.451 4.178 4.473 1.00 0.00 O flip ATOM 302 NE2 GLN A 743 -12.484 4.853 5.019 1.00 0.00 N flip ATOM 0 H GLN A 743 -10.110 3.501 2.129 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.119 5.198 1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -9.459 5.503 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -10.091 6.984 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.710 6.985 4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.165 6.644 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -13.234 5.539 4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -12.607 4.035 5.616 1.00 0.00 H new ATOM 311 N ASP A 744 -9.561 5.436 -0.531 1.00 0.00 N ATOM 312 CA ASP A 744 -9.016 5.966 -1.779 1.00 0.00 C ATOM 313 C ASP A 744 -9.823 5.478 -2.953 1.00 0.00 C ATOM 314 O ASP A 744 -10.312 6.256 -3.766 1.00 0.00 O ATOM 315 CB ASP A 744 -7.617 5.474 -1.942 1.00 0.00 C ATOM 316 CG ASP A 744 -6.812 6.282 -2.910 1.00 0.00 C ATOM 317 OD1 ASP A 744 -6.804 5.960 -4.110 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.167 7.240 -2.472 1.00 0.00 O ATOM 0 H ASP A 744 -9.025 4.663 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.047 7.055 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -7.121 5.484 -0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -7.641 4.437 -2.277 1.00 0.00 H new ATOM 323 N LEU A 745 -9.924 4.176 -3.043 1.00 0.00 N ATOM 324 CA LEU A 745 -10.586 3.521 -4.142 1.00 0.00 C ATOM 325 C LEU A 745 -11.856 2.760 -3.740 1.00 0.00 C ATOM 326 O LEU A 745 -12.028 1.600 -4.102 1.00 0.00 O ATOM 327 CB LEU A 745 -9.566 2.630 -4.902 1.00 0.00 C ATOM 328 CG LEU A 745 -8.527 1.840 -4.042 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.159 0.765 -3.168 1.00 0.00 C ATOM 330 CD2 LEU A 745 -7.448 1.241 -4.917 1.00 0.00 C ATOM 0 H LEU A 745 -9.544 3.534 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 745 -10.950 4.296 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -10.126 1.911 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -9.016 3.264 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.080 2.568 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -8.382 0.256 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.870 1.225 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -9.679 0.043 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -6.737 0.696 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -7.900 0.558 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -6.929 2.037 -5.450 1.00 0.00 H new ATOM 342 N LYS A 746 -12.698 3.370 -2.901 1.00 0.00 N ATOM 343 CA LYS A 746 -13.931 2.654 -2.400 1.00 0.00 C ATOM 344 C LYS A 746 -14.860 2.205 -3.543 1.00 0.00 C ATOM 345 O LYS A 746 -15.539 1.170 -3.433 1.00 0.00 O ATOM 346 CB LYS A 746 -14.773 3.441 -1.352 1.00 0.00 C ATOM 347 CG LYS A 746 -14.080 3.809 -0.026 1.00 0.00 C ATOM 348 CD LYS A 746 -15.111 4.175 1.037 1.00 0.00 C ATOM 349 CE LYS A 746 -14.454 4.548 2.358 1.00 0.00 C ATOM 350 NZ LYS A 746 -15.437 4.835 3.410 1.00 0.00 N ATOM 0 H LYS A 746 -12.579 4.321 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 746 -13.516 1.784 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.119 4.363 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -15.659 2.851 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -13.476 2.970 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.401 4.647 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -15.716 5.010 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -15.787 3.334 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -13.807 3.733 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -13.818 5.421 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -15.042 5.532 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.303 5.218 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -15.663 3.959 3.922 1.00 0.00 H new ATOM 364 N GLY A 747 -14.851 2.949 -4.656 1.00 0.00 N ATOM 365 CA GLY A 747 -15.667 2.585 -5.819 1.00 0.00 C ATOM 366 C GLY A 747 -15.094 1.410 -6.597 1.00 0.00 C ATOM 367 O GLY A 747 -15.659 0.976 -7.610 1.00 0.00 O ATOM 0 H GLY A 747 -14.295 3.796 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -16.675 2.338 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -15.752 3.447 -6.481 1.00 0.00 H new ATOM 371 N LYS A 748 -13.997 0.883 -6.109 1.00 0.00 N ATOM 372 CA LYS A 748 -13.345 -0.263 -6.679 1.00 0.00 C ATOM 373 C LYS A 748 -13.539 -1.429 -5.738 1.00 0.00 C ATOM 374 O LYS A 748 -13.077 -1.382 -4.583 1.00 0.00 O ATOM 375 CB LYS A 748 -11.845 0.008 -6.790 1.00 0.00 C ATOM 376 CG LYS A 748 -11.030 -1.183 -7.254 1.00 0.00 C ATOM 377 CD LYS A 748 -9.562 -0.961 -7.018 1.00 0.00 C ATOM 378 CE LYS A 748 -8.756 -2.167 -7.467 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.304 -1.975 -7.278 1.00 0.00 N ATOM 0 H LYS A 748 -13.524 1.251 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 748 -13.760 -0.475 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -11.687 0.834 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -11.473 0.332 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -11.355 -2.078 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -11.208 -1.358 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -9.232 -0.075 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -9.384 -0.772 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.079 -3.045 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.960 -2.366 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -6.798 -2.293 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -7.106 -0.967 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -6.984 -2.529 -6.458 1.00 0.00 H new ATOM 393 N GLY A 749 -14.147 -2.482 -6.198 1.00 0.00 N ATOM 394 CA GLY A 749 -14.280 -3.598 -5.329 1.00 0.00 C ATOM 395 C GLY A 749 -15.363 -4.532 -5.697 1.00 0.00 C ATOM 396 O GLY A 749 -16.477 -4.429 -5.177 1.00 0.00 O ATOM 0 H GLY A 749 -14.542 -2.586 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.337 -4.144 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -14.458 -3.236 -4.317 1.00 0.00 H new ATOM 400 N HIS A 750 -15.029 -5.517 -6.495 1.00 0.00 N ATOM 401 CA HIS A 750 -15.973 -6.562 -6.797 1.00 0.00 C ATOM 402 C HIS A 750 -16.006 -7.464 -5.585 1.00 0.00 C ATOM 403 O HIS A 750 -17.030 -7.594 -4.914 1.00 0.00 O ATOM 404 CB HIS A 750 -15.544 -7.350 -8.043 1.00 0.00 C ATOM 405 CG HIS A 750 -16.564 -8.340 -8.511 1.00 0.00 C ATOM 406 ND1 HIS A 750 -16.267 -9.650 -8.790 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.881 -8.190 -8.761 1.00 0.00 C ATOM 408 CE1 HIS A 750 -17.365 -10.271 -9.201 1.00 0.00 C ATOM 409 NE2 HIS A 750 -18.362 -9.400 -9.191 1.00 0.00 N ATOM 0 H HIS A 750 -14.118 -5.616 -6.943 1.00 0.00 H new ATOM 0 HA HIS A 750 -16.958 -6.147 -7.013 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.334 -6.649 -8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -14.614 -7.875 -7.827 1.00 0.00 H new ATOM 0 HD1 HIS A 750 -15.346 -10.079 -8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -18.453 -7.281 -8.644 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -17.434 -11.308 -9.493 1.00 0.00 H new ATOM 418 N THR A 751 -14.841 -7.959 -5.232 1.00 0.00 N ATOM 419 CA THR A 751 -14.671 -8.714 -4.027 1.00 0.00 C ATOM 420 C THR A 751 -13.403 -8.200 -3.351 1.00 0.00 C ATOM 421 O THR A 751 -12.439 -7.845 -4.042 1.00 0.00 O ATOM 422 CB THR A 751 -14.511 -10.196 -4.377 1.00 0.00 C ATOM 423 OG1 THR A 751 -15.435 -10.564 -5.389 1.00 0.00 O ATOM 424 CG2 THR A 751 -14.750 -11.134 -3.210 1.00 0.00 C ATOM 0 H THR A 751 -13.987 -7.845 -5.779 1.00 0.00 H new ATOM 0 HA THR A 751 -15.531 -8.605 -3.367 1.00 0.00 H new ATOM 0 HB THR A 751 -13.475 -10.298 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 751 -14.948 -10.798 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 751 -14.618 -12.165 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 751 -14.039 -10.913 -2.414 1.00 0.00 H new ATOM 0 HG23 THR A 751 -15.765 -10.999 -2.837 1.00 0.00 H new ATOM 432 N ASP A 752 -13.363 -8.225 -2.019 1.00 0.00 N ATOM 433 CA ASP A 752 -12.163 -7.820 -1.271 1.00 0.00 C ATOM 434 C ASP A 752 -11.009 -8.738 -1.549 1.00 0.00 C ATOM 435 O ASP A 752 -9.869 -8.304 -1.570 1.00 0.00 O ATOM 436 CB ASP A 752 -12.413 -7.722 0.229 1.00 0.00 C ATOM 437 CG ASP A 752 -13.313 -6.600 0.595 1.00 0.00 C ATOM 438 OD1 ASP A 752 -12.824 -5.480 0.753 1.00 0.00 O ATOM 439 OD2 ASP A 752 -14.521 -6.823 0.738 1.00 0.00 O ATOM 0 H ASP A 752 -14.144 -8.520 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.907 -6.821 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.846 -8.658 0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.460 -7.599 0.743 1.00 0.00 H new ATOM 444 N ALA A 753 -11.315 -10.007 -1.797 1.00 0.00 N ATOM 445 CA ALA A 753 -10.294 -10.995 -2.120 1.00 0.00 C ATOM 446 C ALA A 753 -9.598 -10.641 -3.435 1.00 0.00 C ATOM 447 O ALA A 753 -8.385 -10.772 -3.559 1.00 0.00 O ATOM 448 CB ALA A 753 -10.904 -12.382 -2.187 1.00 0.00 C ATOM 0 H ALA A 753 -12.266 -10.376 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.543 -10.989 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.129 -13.109 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.347 -12.632 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -11.675 -12.404 -2.957 1.00 0.00 H new ATOM 454 N GLU A 754 -10.375 -10.145 -4.389 1.00 0.00 N ATOM 455 CA GLU A 754 -9.852 -9.668 -5.667 1.00 0.00 C ATOM 456 C GLU A 754 -8.989 -8.416 -5.479 1.00 0.00 C ATOM 457 O GLU A 754 -7.955 -8.265 -6.131 1.00 0.00 O ATOM 458 CB GLU A 754 -10.981 -9.429 -6.671 1.00 0.00 C ATOM 459 CG GLU A 754 -11.732 -10.701 -7.041 1.00 0.00 C ATOM 460 CD GLU A 754 -12.817 -10.466 -8.025 1.00 0.00 C ATOM 461 OE1 GLU A 754 -12.510 -10.144 -9.174 1.00 0.00 O ATOM 462 OE2 GLU A 754 -13.979 -10.596 -7.657 1.00 0.00 O ATOM 0 H GLU A 754 -11.388 -10.061 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.210 -10.447 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.684 -8.708 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -10.567 -8.983 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -11.028 -11.426 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.156 -11.142 -6.139 1.00 0.00 H new ATOM 469 N ILE A 755 -9.406 -7.550 -4.545 1.00 0.00 N ATOM 470 CA ILE A 755 -8.674 -6.319 -4.191 1.00 0.00 C ATOM 471 C ILE A 755 -7.317 -6.691 -3.594 1.00 0.00 C ATOM 472 O ILE A 755 -6.293 -6.041 -3.855 1.00 0.00 O ATOM 473 CB ILE A 755 -9.492 -5.480 -3.138 1.00 0.00 C ATOM 474 CG1 ILE A 755 -10.849 -5.068 -3.707 1.00 0.00 C ATOM 475 CG2 ILE A 755 -8.730 -4.233 -2.686 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.742 -4.122 -4.877 1.00 0.00 C ATOM 0 H ILE A 755 -10.264 -7.681 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 755 -8.534 -5.720 -5.091 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.643 -6.123 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.391 -5.961 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -11.437 -4.597 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.330 -3.683 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -7.787 -4.529 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -8.530 -3.596 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.741 -3.869 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -10.228 -3.213 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.180 -4.599 -5.680 1.00 0.00 H new ATOM 488 N GLU A 756 -7.335 -7.735 -2.804 1.00 0.00 N ATOM 489 CA GLU A 756 -6.163 -8.244 -2.146 1.00 0.00 C ATOM 490 C GLU A 756 -5.222 -8.900 -3.177 1.00 0.00 C ATOM 491 O GLU A 756 -4.002 -8.780 -3.084 1.00 0.00 O ATOM 492 CB GLU A 756 -6.609 -9.264 -1.104 1.00 0.00 C ATOM 493 CG GLU A 756 -5.544 -9.678 -0.120 1.00 0.00 C ATOM 494 CD GLU A 756 -6.024 -10.742 0.790 1.00 0.00 C ATOM 495 OE1 GLU A 756 -6.812 -10.438 1.686 1.00 0.00 O ATOM 496 OE2 GLU A 756 -5.640 -11.900 0.598 1.00 0.00 O ATOM 0 H GLU A 756 -8.183 -8.264 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.618 -7.434 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -7.452 -8.851 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -6.971 -10.153 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -4.666 -10.031 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -5.232 -8.812 0.464 1.00 0.00 H new ATOM 503 N ALA A 757 -5.807 -9.573 -4.161 1.00 0.00 N ATOM 504 CA ALA A 757 -5.035 -10.256 -5.216 1.00 0.00 C ATOM 505 C ALA A 757 -4.222 -9.275 -6.045 1.00 0.00 C ATOM 506 O ALA A 757 -3.043 -9.506 -6.317 1.00 0.00 O ATOM 507 CB ALA A 757 -5.949 -11.071 -6.116 1.00 0.00 C ATOM 0 H ALA A 757 -6.818 -9.666 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.339 -10.931 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.356 -11.565 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.470 -11.822 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.678 -10.412 -6.587 1.00 0.00 H new ATOM 513 N ILE A 758 -4.843 -8.175 -6.423 1.00 0.00 N ATOM 514 CA ILE A 758 -4.169 -7.138 -7.193 1.00 0.00 C ATOM 515 C ILE A 758 -3.126 -6.400 -6.329 1.00 0.00 C ATOM 516 O ILE A 758 -2.054 -6.041 -6.816 1.00 0.00 O ATOM 517 CB ILE A 758 -5.208 -6.179 -7.934 1.00 0.00 C ATOM 518 CG1 ILE A 758 -4.567 -4.967 -8.651 1.00 0.00 C ATOM 519 CG2 ILE A 758 -6.314 -5.710 -7.014 1.00 0.00 C ATOM 520 CD1 ILE A 758 -4.261 -3.771 -7.753 1.00 0.00 C ATOM 0 H ILE A 758 -5.820 -7.972 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.606 -7.611 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 758 -5.636 -6.810 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -3.641 -5.293 -9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -5.235 -4.641 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -6.995 -5.061 -7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -6.862 -6.572 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -5.883 -5.158 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.814 -2.974 -8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -5.184 -3.411 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -3.565 -4.073 -6.970 1.00 0.00 H new ATOM 532 N PHE A 759 -3.450 -6.218 -5.046 1.00 0.00 N ATOM 533 CA PHE A 759 -2.586 -5.515 -4.070 1.00 0.00 C ATOM 534 C PHE A 759 -1.195 -6.118 -3.951 1.00 0.00 C ATOM 535 O PHE A 759 -0.228 -5.389 -3.744 1.00 0.00 O ATOM 536 CB PHE A 759 -3.285 -5.500 -2.678 1.00 0.00 C ATOM 537 CG PHE A 759 -2.458 -5.977 -1.478 1.00 0.00 C ATOM 538 CD1 PHE A 759 -1.518 -5.153 -0.879 1.00 0.00 C ATOM 539 CD2 PHE A 759 -2.638 -7.250 -0.959 1.00 0.00 C ATOM 540 CE1 PHE A 759 -0.784 -5.592 0.197 1.00 0.00 C ATOM 541 CE2 PHE A 759 -1.906 -7.690 0.121 1.00 0.00 C ATOM 542 CZ PHE A 759 -0.976 -6.860 0.700 1.00 0.00 C ATOM 0 H PHE A 759 -4.325 -6.554 -4.644 1.00 0.00 H new ATOM 0 HA PHE A 759 -2.447 -4.499 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -3.617 -4.482 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.179 -6.120 -2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -1.361 -4.155 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -3.366 -7.908 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -0.053 -4.939 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -2.062 -8.685 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 759 -0.398 -7.201 1.546 1.00 0.00 H new ATOM 552 N THR A 760 -1.103 -7.428 -4.027 1.00 0.00 N ATOM 553 CA THR A 760 0.161 -8.102 -3.820 1.00 0.00 C ATOM 554 C THR A 760 1.230 -7.615 -4.820 1.00 0.00 C ATOM 555 O THR A 760 2.354 -7.286 -4.430 1.00 0.00 O ATOM 556 CB THR A 760 -0.075 -9.606 -3.954 1.00 0.00 C ATOM 557 OG1 THR A 760 -1.171 -10.005 -3.141 1.00 0.00 O ATOM 558 CG2 THR A 760 1.108 -10.457 -3.554 1.00 0.00 C ATOM 0 H THR A 760 -1.887 -8.047 -4.230 1.00 0.00 H new ATOM 0 HA THR A 760 0.540 -7.872 -2.824 1.00 0.00 H new ATOM 0 HB THR A 760 -0.266 -9.767 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 760 -1.314 -10.970 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 760 0.857 -11.510 -3.679 1.00 0.00 H new ATOM 0 HG22 THR A 760 1.963 -10.211 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 760 1.358 -10.265 -2.511 1.00 0.00 H new ATOM 566 N LYS A 761 0.878 -7.552 -6.079 1.00 0.00 N ATOM 567 CA LYS A 761 1.815 -7.110 -7.085 1.00 0.00 C ATOM 568 C LYS A 761 1.718 -5.593 -7.389 1.00 0.00 C ATOM 569 O LYS A 761 2.726 -4.941 -7.680 1.00 0.00 O ATOM 570 CB LYS A 761 1.616 -7.932 -8.359 1.00 0.00 C ATOM 571 CG LYS A 761 2.649 -7.678 -9.438 1.00 0.00 C ATOM 572 CD LYS A 761 2.364 -8.509 -10.658 1.00 0.00 C ATOM 573 CE LYS A 761 3.390 -8.260 -11.747 1.00 0.00 C ATOM 574 NZ LYS A 761 3.098 -9.053 -12.953 1.00 0.00 N ATOM 0 H LYS A 761 -0.046 -7.800 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 761 2.818 -7.271 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 761 1.633 -8.991 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 761 0.627 -7.718 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 761 2.650 -6.621 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 761 3.643 -7.912 -9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 761 2.365 -9.565 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 761 1.368 -8.277 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 761 3.403 -7.200 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 761 4.384 -8.511 -11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 3.818 -8.860 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 3.110 -10.065 -12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 2.160 -8.795 -13.319 1.00 0.00 H new ATOM 588 N TYR A 762 0.499 -5.102 -7.526 1.00 0.00 N ATOM 589 CA TYR A 762 0.262 -3.750 -8.057 1.00 0.00 C ATOM 590 C TYR A 762 0.098 -2.617 -7.033 1.00 0.00 C ATOM 591 O TYR A 762 -0.179 -1.487 -7.458 1.00 0.00 O ATOM 592 CB TYR A 762 -0.947 -3.723 -8.991 1.00 0.00 C ATOM 593 CG TYR A 762 -0.895 -4.632 -10.205 1.00 0.00 C ATOM 594 CD1 TYR A 762 -0.387 -4.181 -11.413 1.00 0.00 C ATOM 595 CD2 TYR A 762 -1.408 -5.920 -10.156 1.00 0.00 C ATOM 596 CE1 TYR A 762 -0.378 -4.988 -12.531 1.00 0.00 C ATOM 597 CE2 TYR A 762 -1.410 -6.729 -11.268 1.00 0.00 C ATOM 598 CZ TYR A 762 -0.895 -6.260 -12.452 1.00 0.00 C ATOM 599 OH TYR A 762 -0.914 -7.062 -13.565 1.00 0.00 O ATOM 0 H TYR A 762 -0.350 -5.611 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 762 1.194 -3.543 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -1.831 -3.983 -8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -1.085 -2.699 -9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 762 0.009 -3.179 -11.480 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -1.813 -6.294 -9.227 1.00 0.00 H new ATOM 0 HE1 TYR A 762 0.032 -4.624 -13.462 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -1.815 -7.729 -11.211 1.00 0.00 H new ATOM 0 HH TYR A 762 -1.311 -7.929 -13.337 1.00 0.00 H new ATOM 609 N ASP A 763 0.125 -2.878 -5.716 1.00 0.00 N ATOM 610 CA ASP A 763 -0.144 -1.762 -4.768 1.00 0.00 C ATOM 611 C ASP A 763 0.919 -0.676 -4.856 1.00 0.00 C ATOM 612 O ASP A 763 2.081 -0.948 -5.176 1.00 0.00 O ATOM 613 CB ASP A 763 -0.330 -2.204 -3.308 1.00 0.00 C ATOM 614 CG ASP A 763 -0.725 -1.038 -2.438 1.00 0.00 C ATOM 615 OD1 ASP A 763 -1.854 -0.558 -2.590 1.00 0.00 O ATOM 616 OD2 ASP A 763 0.104 -0.564 -1.659 1.00 0.00 O ATOM 0 H ASP A 763 0.316 -3.787 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 763 -1.101 -1.353 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -1.095 -2.979 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 763 0.596 -2.643 -2.936 1.00 0.00 H new ATOM 621 N GLN A 764 0.485 0.557 -4.629 1.00 0.00 N ATOM 622 CA GLN A 764 1.324 1.735 -4.736 1.00 0.00 C ATOM 623 C GLN A 764 2.459 1.727 -3.726 1.00 0.00 C ATOM 624 O GLN A 764 3.598 2.054 -4.074 1.00 0.00 O ATOM 625 CB GLN A 764 0.505 3.041 -4.568 1.00 0.00 C ATOM 626 CG GLN A 764 -0.636 3.260 -5.583 1.00 0.00 C ATOM 627 CD GLN A 764 -1.845 2.357 -5.389 1.00 0.00 C ATOM 628 OE1 GLN A 764 -2.143 2.005 -4.154 1.00 0.00 O flip ATOM 629 NE2 GLN A 764 -2.513 2.001 -6.351 1.00 0.00 N flip ATOM 0 H GLN A 764 -0.477 0.766 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 764 1.750 1.706 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 764 0.079 3.053 -3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 764 1.190 3.887 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -0.962 4.298 -5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -0.243 3.107 -6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -2.250 2.295 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -3.333 1.411 -6.212 1.00 0.00 H new ATOM 638 N ASP A 765 2.173 1.369 -2.482 1.00 0.00 N ATOM 639 CA ASP A 765 3.232 1.354 -1.495 1.00 0.00 C ATOM 640 C ASP A 765 3.628 -0.080 -1.168 1.00 0.00 C ATOM 641 O ASP A 765 4.617 -0.335 -0.476 1.00 0.00 O ATOM 642 CB ASP A 765 2.773 2.107 -0.239 1.00 0.00 C ATOM 643 CG ASP A 765 3.851 2.306 0.760 1.00 0.00 C ATOM 644 OD1 ASP A 765 4.765 3.091 0.486 1.00 0.00 O ATOM 645 OD2 ASP A 765 3.784 1.712 1.829 1.00 0.00 O ATOM 0 H ASP A 765 1.250 1.095 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 765 4.112 1.857 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 765 2.377 3.079 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 765 1.955 1.557 0.226 1.00 0.00 H new ATOM 650 N GLY A 766 2.896 -1.020 -1.723 1.00 0.00 N ATOM 651 CA GLY A 766 3.189 -2.420 -1.515 1.00 0.00 C ATOM 652 C GLY A 766 2.591 -2.971 -0.232 1.00 0.00 C ATOM 653 O GLY A 766 2.306 -4.166 -0.149 1.00 0.00 O ATOM 0 H GLY A 766 2.091 -0.839 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 766 2.810 -2.994 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 766 4.270 -2.559 -1.494 1.00 0.00 H new ATOM 657 N ASP A 767 2.463 -2.128 0.790 1.00 0.00 N ATOM 658 CA ASP A 767 1.965 -2.565 2.086 1.00 0.00 C ATOM 659 C ASP A 767 0.459 -2.625 2.181 1.00 0.00 C ATOM 660 O ASP A 767 -0.068 -3.694 2.442 1.00 0.00 O ATOM 661 CB ASP A 767 2.567 -1.771 3.240 1.00 0.00 C ATOM 662 CG ASP A 767 3.981 -2.162 3.506 1.00 0.00 C ATOM 663 OD1 ASP A 767 4.185 -3.135 4.221 1.00 0.00 O ATOM 664 OD2 ASP A 767 4.892 -1.518 2.989 1.00 0.00 O ATOM 0 H ASP A 767 2.699 -1.137 0.742 1.00 0.00 H new ATOM 0 HA ASP A 767 2.308 -3.595 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.522 -0.706 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.971 -1.929 4.139 1.00 0.00 H new ATOM 669 N GLN A 768 -0.230 -1.481 1.954 1.00 0.00 N ATOM 670 CA GLN A 768 -1.727 -1.406 1.996 1.00 0.00 C ATOM 671 C GLN A 768 -2.287 -2.137 3.267 1.00 0.00 C ATOM 672 O GLN A 768 -3.104 -3.073 3.168 1.00 0.00 O ATOM 673 CB GLN A 768 -2.276 -2.073 0.746 1.00 0.00 C ATOM 674 CG GLN A 768 -3.747 -1.917 0.532 1.00 0.00 C ATOM 675 CD GLN A 768 -4.255 -3.015 -0.329 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.327 -2.904 -1.545 1.00 0.00 O ATOM 677 NE2 GLN A 768 -4.571 -4.104 0.294 1.00 0.00 N ATOM 0 H GLN A 768 0.220 -0.591 1.739 1.00 0.00 H new ATOM 0 HA GLN A 768 -2.034 -0.361 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.754 -1.668 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.043 -3.137 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.265 -1.926 1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -3.955 -0.953 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -4.495 -4.151 1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -4.896 -4.916 -0.231 1.00 0.00 H new ATOM 686 N GLU A 769 -2.003 -1.571 4.430 1.00 0.00 N ATOM 687 CA GLU A 769 -2.476 -2.072 5.775 1.00 0.00 C ATOM 688 C GLU A 769 -1.619 -1.533 6.957 1.00 0.00 C ATOM 689 O GLU A 769 -1.828 -1.923 8.097 1.00 0.00 O ATOM 690 CB GLU A 769 -2.604 -3.614 5.896 1.00 0.00 C ATOM 691 CG GLU A 769 -1.391 -4.430 5.552 1.00 0.00 C ATOM 692 CD GLU A 769 -1.617 -5.863 5.853 1.00 0.00 C ATOM 693 OE1 GLU A 769 -2.114 -6.160 6.947 1.00 0.00 O ATOM 694 OE2 GLU A 769 -1.329 -6.706 5.006 1.00 0.00 O ATOM 0 H GLU A 769 -1.428 -0.732 4.500 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.485 -1.664 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.891 -3.850 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.423 -3.937 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.154 -4.309 4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -0.531 -4.067 6.115 1.00 0.00 H new ATOM 701 N LEU A 770 -0.709 -0.581 6.687 1.00 0.00 N ATOM 702 CA LEU A 770 0.118 0.015 7.748 1.00 0.00 C ATOM 703 C LEU A 770 -0.348 1.414 8.109 1.00 0.00 C ATOM 704 O LEU A 770 -0.604 2.286 7.222 1.00 0.00 O ATOM 705 CB LEU A 770 1.598 0.063 7.372 1.00 0.00 C ATOM 706 CG LEU A 770 2.274 -1.276 7.117 1.00 0.00 C ATOM 707 CD1 LEU A 770 3.747 -1.085 6.842 1.00 0.00 C ATOM 708 CD2 LEU A 770 2.088 -2.227 8.280 1.00 0.00 C ATOM 0 H LEU A 770 -0.529 -0.212 5.753 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.000 -0.636 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.703 0.675 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 770 2.137 0.572 8.171 1.00 0.00 H new ATOM 0 HG LEU A 770 1.799 -1.716 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 770 4.212 -2.054 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 770 3.874 -0.453 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 770 4.219 -0.610 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 770 2.585 -3.172 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 770 2.521 -1.790 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 770 1.024 -2.405 8.438 1.00 0.00 H new ATOM 720 N THR A 771 -0.505 1.587 9.403 1.00 0.00 N ATOM 721 CA THR A 771 -1.027 2.788 10.038 1.00 0.00 C ATOM 722 C THR A 771 0.148 3.706 10.469 1.00 0.00 C ATOM 723 O THR A 771 1.285 3.299 10.347 1.00 0.00 O ATOM 724 CB THR A 771 -1.848 2.330 11.261 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.565 1.145 10.932 1.00 0.00 O ATOM 726 CG2 THR A 771 -2.892 3.325 11.731 1.00 0.00 C ATOM 0 H THR A 771 -0.262 0.862 10.078 1.00 0.00 H new ATOM 0 HA THR A 771 -1.655 3.360 9.355 1.00 0.00 H new ATOM 0 HB THR A 771 -1.114 2.196 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 771 -3.086 0.852 11.708 1.00 0.00 H new ATOM 0 HG21 THR A 771 -3.420 2.919 12.594 1.00 0.00 H new ATOM 0 HG22 THR A 771 -2.405 4.259 12.011 1.00 0.00 H new ATOM 0 HG23 THR A 771 -3.603 3.513 10.927 1.00 0.00 H new