USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=9 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 :FLIP amide:sc= -8.31! C(o=-11!,f=-8.3!) USER MOD Single : A 735 LYS NZ :NH3+ -126:sc= 1.22 (180deg=-0.944) USER MOD Single : A 737 ASN :FLIP amide:sc= -3.92! C(o=-9.8!,f=-3.9!) USER MOD Single : A 743 GLN : amide:sc= -5.79! C(o=-5.8!,f=-9.8!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ 150:sc= -0.103 (180deg=-0.513) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 79:sc= 0.0618 USER MOD Single : A 760 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 768 GLN :FLIP amide:sc= -2.92! C(o=-4.4!,f=-2.9!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.246 USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -8.856 11.180 3.577 1.00 0.00 N ATOM 69 CA LEU A 729 -8.423 11.768 4.845 1.00 0.00 C ATOM 70 C LEU A 729 -7.227 11.033 5.453 1.00 0.00 C ATOM 71 O LEU A 729 -6.102 11.274 5.061 1.00 0.00 O ATOM 72 CB LEU A 729 -9.587 12.006 5.882 1.00 0.00 C ATOM 73 CG LEU A 729 -10.595 10.862 6.203 1.00 0.00 C ATOM 74 CD1 LEU A 729 -11.357 11.196 7.462 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.608 10.680 5.084 1.00 0.00 C ATOM 0 HA LEU A 729 -8.078 12.769 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -9.126 12.304 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -10.167 12.858 5.527 1.00 0.00 H new ATOM 0 HG LEU A 729 -10.019 9.944 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -12.061 10.394 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -10.659 11.306 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -11.902 12.129 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.295 9.874 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -12.169 11.605 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -11.088 10.431 4.159 1.00 0.00 H new ATOM 87 N ARG A 730 -7.484 10.122 6.377 1.00 0.00 N ATOM 88 CA ARG A 730 -6.453 9.320 7.054 1.00 0.00 C ATOM 89 C ARG A 730 -5.729 8.391 6.070 1.00 0.00 C ATOM 90 O ARG A 730 -4.535 8.110 6.208 1.00 0.00 O ATOM 91 CB ARG A 730 -7.098 8.520 8.215 1.00 0.00 C ATOM 92 CG ARG A 730 -8.606 8.764 8.370 1.00 0.00 C ATOM 93 CD ARG A 730 -9.219 8.106 9.613 1.00 0.00 C ATOM 94 NE ARG A 730 -9.152 6.642 9.600 1.00 0.00 N ATOM 95 CZ ARG A 730 -9.903 5.847 10.389 1.00 0.00 C ATOM 96 NH1 ARG A 730 -10.783 6.381 11.216 1.00 0.00 N ATOM 97 NH2 ARG A 730 -9.775 4.540 10.318 1.00 0.00 N ATOM 0 H ARG A 730 -8.431 9.908 6.691 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.700 9.992 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -6.926 7.456 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -6.599 8.783 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -8.788 9.838 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -9.118 8.389 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -8.705 8.476 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -10.262 8.412 9.698 1.00 0.00 H new ATOM 0 HE ARG A 730 -8.498 6.198 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -10.894 7.394 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -11.351 5.780 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -9.108 4.128 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -10.343 3.939 10.915 1.00 0.00 H new ATOM 111 N GLN A 731 -6.459 7.961 5.069 1.00 0.00 N ATOM 112 CA GLN A 731 -5.922 7.132 3.992 1.00 0.00 C ATOM 113 C GLN A 731 -5.345 8.016 2.913 1.00 0.00 C ATOM 114 O GLN A 731 -4.306 7.716 2.323 1.00 0.00 O ATOM 115 CB GLN A 731 -7.018 6.230 3.417 1.00 0.00 C ATOM 116 CG GLN A 731 -6.579 5.302 2.273 1.00 0.00 C ATOM 117 CD GLN A 731 -5.410 4.412 2.623 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.365 3.980 3.844 1.00 0.00 O flip ATOM 119 NE2 GLN A 731 -4.599 4.071 1.775 1.00 0.00 N flip ATOM 0 H GLN A 731 -7.452 8.173 4.969 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.132 6.496 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -7.421 5.618 4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -7.832 6.860 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.423 4.678 1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.315 5.909 1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -4.671 4.435 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -3.850 3.422 2.017 1.00 0.00 H new ATOM 128 N GLY A 732 -6.078 9.083 2.629 1.00 0.00 N ATOM 129 CA GLY A 732 -5.702 10.031 1.602 1.00 0.00 C ATOM 130 C GLY A 732 -4.387 10.674 1.897 1.00 0.00 C ATOM 131 O GLY A 732 -3.596 10.925 1.005 1.00 0.00 O ATOM 0 H GLY A 732 -6.950 9.312 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.650 9.523 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.471 10.799 1.516 1.00 0.00 H new ATOM 135 N GLY A 733 -4.126 10.875 3.153 1.00 0.00 N ATOM 136 CA GLY A 733 -2.865 11.431 3.549 1.00 0.00 C ATOM 137 C GLY A 733 -2.433 10.874 4.851 1.00 0.00 C ATOM 138 O GLY A 733 -2.755 11.424 5.892 1.00 0.00 O ATOM 0 H GLY A 733 -4.765 10.664 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.113 11.218 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -2.947 12.516 3.621 1.00 0.00 H new ATOM 142 N GLY A 734 -1.750 9.759 4.822 1.00 0.00 N ATOM 143 CA GLY A 734 -1.339 9.161 6.055 1.00 0.00 C ATOM 144 C GLY A 734 -0.656 7.840 5.875 1.00 0.00 C ATOM 145 O GLY A 734 0.541 7.793 5.615 1.00 0.00 O ATOM 0 H GLY A 734 -1.474 9.260 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -0.665 9.843 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -2.212 9.027 6.694 1.00 0.00 H new ATOM 149 N LYS A 735 -1.401 6.775 6.037 1.00 0.00 N ATOM 150 CA LYS A 735 -0.863 5.425 5.963 1.00 0.00 C ATOM 151 C LYS A 735 -1.730 4.591 5.066 1.00 0.00 C ATOM 152 O LYS A 735 -2.885 4.947 4.851 1.00 0.00 O ATOM 153 CB LYS A 735 -0.718 4.793 7.363 1.00 0.00 C ATOM 154 CG LYS A 735 -2.006 4.458 8.146 1.00 0.00 C ATOM 155 CD LYS A 735 -2.929 5.635 8.443 1.00 0.00 C ATOM 156 CE LYS A 735 -4.041 5.180 9.390 1.00 0.00 C ATOM 157 NZ LYS A 735 -4.988 6.250 9.751 1.00 0.00 N ATOM 0 H LYS A 735 -2.403 6.812 6.225 1.00 0.00 H new ATOM 0 HA LYS A 735 0.140 5.469 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.144 3.873 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.122 5.471 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -2.568 3.714 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -1.723 3.995 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -2.363 6.451 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -3.358 6.018 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -4.591 4.363 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -3.591 4.783 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -5.053 6.321 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -4.654 7.155 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -5.926 6.030 9.359 1.00 0.00 H new ATOM 171 N LEU A 736 -1.250 3.452 4.582 1.00 0.00 N ATOM 172 CA LEU A 736 -2.130 2.654 3.750 1.00 0.00 C ATOM 173 C LEU A 736 -2.320 1.380 4.400 1.00 0.00 C ATOM 174 O LEU A 736 -1.379 0.634 4.586 1.00 0.00 O ATOM 175 CB LEU A 736 -1.526 2.364 2.376 1.00 0.00 C ATOM 176 CG LEU A 736 -1.423 3.511 1.341 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.516 4.634 1.794 1.00 0.00 C ATOM 178 CD2 LEU A 736 -0.954 2.973 0.006 1.00 0.00 C ATOM 0 H LEU A 736 -0.314 3.079 4.739 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.057 3.211 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -0.521 1.974 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.111 1.564 1.922 1.00 0.00 H new ATOM 0 HG LEU A 736 -2.424 3.931 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -0.484 5.408 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.898 5.059 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 736 0.489 4.246 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -0.886 3.790 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.026 2.511 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -1.664 2.230 -0.356 1.00 0.00 H new ATOM 190 N ASN A 737 -3.521 1.015 4.601 1.00 0.00 N ATOM 191 CA ASN A 737 -3.765 -0.225 5.200 1.00 0.00 C ATOM 192 C ASN A 737 -5.006 -0.811 4.700 1.00 0.00 C ATOM 193 O ASN A 737 -5.912 -0.205 4.802 1.00 0.00 O ATOM 194 CB ASN A 737 -3.699 -0.205 6.778 1.00 0.00 C ATOM 195 CG ASN A 737 -4.200 0.995 7.495 1.00 0.00 C ATOM 196 OD1 ASN A 737 -3.838 2.115 7.025 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -4.816 0.892 8.537 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.350 1.558 4.359 1.00 0.00 H new ATOM 0 HA ASN A 737 -2.941 -0.873 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -4.258 -1.066 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -2.659 -0.354 7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -5.088 -0.029 8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -5.061 1.727 9.069 1.00 0.00 H new ATOM 204 N PHE A 738 -4.954 -2.009 4.077 1.00 0.00 N ATOM 205 CA PHE A 738 -6.103 -2.677 3.367 1.00 0.00 C ATOM 206 C PHE A 738 -7.502 -2.105 3.656 1.00 0.00 C ATOM 207 O PHE A 738 -8.081 -1.473 2.786 1.00 0.00 O ATOM 208 CB PHE A 738 -6.102 -4.209 3.511 1.00 0.00 C ATOM 209 CG PHE A 738 -6.972 -4.861 2.464 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.338 -5.012 2.648 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.419 -5.273 1.270 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.122 -5.564 1.668 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.202 -5.823 0.283 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.558 -5.969 0.484 1.00 0.00 C ATOM 0 H PHE A 738 -4.099 -2.564 4.045 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.901 -2.427 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.082 -4.584 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.458 -4.483 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.790 -4.691 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.357 -5.162 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.184 -5.680 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -6.756 -6.140 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.176 -6.401 -0.289 1.00 0.00 H new ATOM 224 N ASP A 739 -8.024 -2.331 4.868 1.00 0.00 N ATOM 225 CA ASP A 739 -9.364 -1.828 5.259 1.00 0.00 C ATOM 226 C ASP A 739 -9.416 -0.298 5.285 1.00 0.00 C ATOM 227 O ASP A 739 -10.414 0.310 4.922 1.00 0.00 O ATOM 228 CB ASP A 739 -9.798 -2.402 6.605 1.00 0.00 C ATOM 229 CG ASP A 739 -11.184 -1.991 6.986 1.00 0.00 C ATOM 230 OD1 ASP A 739 -12.130 -2.680 6.594 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.333 -0.993 7.684 1.00 0.00 O ATOM 0 H ASP A 739 -7.546 -2.857 5.600 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.065 -2.169 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.743 -3.490 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.101 -2.075 7.377 1.00 0.00 H new ATOM 236 N GLU A 740 -8.311 0.309 5.619 1.00 0.00 N ATOM 237 CA GLU A 740 -8.181 1.756 5.594 1.00 0.00 C ATOM 238 C GLU A 740 -7.947 2.198 4.152 1.00 0.00 C ATOM 239 O GLU A 740 -8.401 3.236 3.769 1.00 0.00 O ATOM 240 CB GLU A 740 -7.024 2.227 6.489 1.00 0.00 C ATOM 241 CG GLU A 740 -6.856 3.739 6.638 1.00 0.00 C ATOM 242 CD GLU A 740 -7.695 4.322 7.705 1.00 0.00 C ATOM 243 OE1 GLU A 740 -8.876 3.992 7.776 1.00 0.00 O ATOM 244 OE2 GLU A 740 -7.164 5.112 8.501 1.00 0.00 O ATOM 0 H GLU A 740 -7.467 -0.180 5.919 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.096 2.204 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.163 1.799 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.095 1.817 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -5.810 3.962 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -7.101 4.219 5.691 1.00 0.00 H new ATOM 251 N LEU A 741 -7.219 1.375 3.337 1.00 0.00 N ATOM 252 CA LEU A 741 -6.947 1.700 1.924 1.00 0.00 C ATOM 253 C LEU A 741 -8.237 1.936 1.136 1.00 0.00 C ATOM 254 O LEU A 741 -8.256 2.679 0.153 1.00 0.00 O ATOM 255 CB LEU A 741 -6.249 0.535 1.267 1.00 0.00 C ATOM 256 CG LEU A 741 -6.120 0.653 -0.251 1.00 0.00 C ATOM 257 CD1 LEU A 741 -4.840 1.335 -0.681 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.361 -0.656 -0.953 1.00 0.00 C ATOM 0 H LEU A 741 -6.817 0.489 3.644 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.338 2.604 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.253 0.434 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.793 -0.380 1.504 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.923 1.315 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.805 1.390 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.807 2.342 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -3.985 0.765 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.257 -0.516 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.633 -1.392 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.367 -1.009 -0.728 1.00 0.00 H new ATOM 270 N ARG A 742 -9.300 1.291 1.571 1.00 0.00 N ATOM 271 CA ARG A 742 -10.586 1.346 0.961 1.00 0.00 C ATOM 272 C ARG A 742 -11.053 2.681 0.963 1.00 0.00 C ATOM 273 O ARG A 742 -11.611 3.060 0.063 1.00 0.00 O ATOM 274 CB ARG A 742 -11.566 0.494 1.727 1.00 0.00 C ATOM 275 CG ARG A 742 -10.994 -0.828 2.021 1.00 0.00 C ATOM 276 CD ARG A 742 -10.771 -1.616 0.745 1.00 0.00 C ATOM 277 NE ARG A 742 -11.877 -2.538 0.494 1.00 0.00 N ATOM 278 CZ ARG A 742 -12.894 -2.336 -0.372 1.00 0.00 C ATOM 279 NH1 ARG A 742 -12.879 -1.299 -1.234 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.868 -3.225 -0.436 1.00 0.00 N ATOM 0 H ARG A 742 -9.276 0.692 2.396 1.00 0.00 H new ATOM 0 HA ARG A 742 -10.502 0.975 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -11.837 0.992 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -12.483 0.378 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.049 -0.710 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -11.663 -1.379 2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -10.668 -0.930 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -9.838 -2.174 0.818 1.00 0.00 H new ATOM 0 HE ARG A 742 -11.881 -3.412 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.091 -0.652 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.656 -1.162 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.846 -4.050 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.643 -3.087 -1.085 1.00 0.00 H new ATOM 294 N GLN A 743 -10.718 3.407 1.988 1.00 0.00 N ATOM 295 CA GLN A 743 -11.141 4.792 2.163 1.00 0.00 C ATOM 296 C GLN A 743 -10.803 5.649 0.983 1.00 0.00 C ATOM 297 O GLN A 743 -11.560 6.545 0.600 1.00 0.00 O ATOM 298 CB GLN A 743 -10.392 5.290 3.299 1.00 0.00 C ATOM 299 CG GLN A 743 -10.702 6.695 3.759 1.00 0.00 C ATOM 300 CD GLN A 743 -10.089 6.895 5.079 1.00 0.00 C ATOM 301 OE1 GLN A 743 -9.631 7.978 5.423 1.00 0.00 O ATOM 302 NE2 GLN A 743 -10.127 5.848 5.857 1.00 0.00 N ATOM 0 H GLN A 743 -10.133 3.060 2.748 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.223 4.827 2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -10.558 4.614 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -9.331 5.239 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.313 7.422 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -11.780 6.847 3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -10.521 4.972 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -9.763 5.906 6.808 1.00 0.00 H new ATOM 311 N ASP A 744 -9.718 5.327 0.361 1.00 0.00 N ATOM 312 CA ASP A 744 -9.328 6.030 -0.855 1.00 0.00 C ATOM 313 C ASP A 744 -10.098 5.534 -2.037 1.00 0.00 C ATOM 314 O ASP A 744 -10.777 6.295 -2.735 1.00 0.00 O ATOM 315 CB ASP A 744 -7.860 5.902 -1.099 1.00 0.00 C ATOM 316 CG ASP A 744 -7.390 6.792 -2.197 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.658 7.998 -2.125 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.726 6.306 -3.119 1.00 0.00 O ATOM 0 H ASP A 744 -9.078 4.590 0.657 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.563 7.085 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -7.319 6.142 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -7.624 4.867 -1.347 1.00 0.00 H new ATOM 323 N LEU A 745 -10.005 4.246 -2.249 1.00 0.00 N ATOM 324 CA LEU A 745 -10.660 3.620 -3.354 1.00 0.00 C ATOM 325 C LEU A 745 -12.025 3.040 -3.015 1.00 0.00 C ATOM 326 O LEU A 745 -12.381 1.962 -3.508 1.00 0.00 O ATOM 327 CB LEU A 745 -9.726 2.610 -4.086 1.00 0.00 C ATOM 328 CG LEU A 745 -8.860 1.639 -3.228 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.687 0.648 -2.437 1.00 0.00 C ATOM 330 CD2 LEU A 745 -7.876 0.900 -4.108 1.00 0.00 C ATOM 0 H LEU A 745 -9.472 3.608 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 745 -10.877 4.418 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -10.346 2.004 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -9.050 3.184 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.325 2.255 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.026 0.001 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.349 1.186 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.282 0.043 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.277 0.225 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -8.419 0.325 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -7.222 1.617 -4.604 1.00 0.00 H new ATOM 342 N LYS A 746 -12.792 3.722 -2.151 1.00 0.00 N ATOM 343 CA LYS A 746 -14.141 3.205 -1.832 1.00 0.00 C ATOM 344 C LYS A 746 -15.004 3.370 -3.074 1.00 0.00 C ATOM 345 O LYS A 746 -15.308 4.492 -3.480 1.00 0.00 O ATOM 346 CB LYS A 746 -14.847 3.886 -0.620 1.00 0.00 C ATOM 347 CG LYS A 746 -14.164 3.784 0.766 1.00 0.00 C ATOM 348 CD LYS A 746 -15.203 3.911 1.873 1.00 0.00 C ATOM 349 CE LYS A 746 -14.606 3.789 3.268 1.00 0.00 C ATOM 350 NZ LYS A 746 -15.647 3.901 4.310 1.00 0.00 N ATOM 0 H LYS A 746 -12.526 4.587 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.015 2.164 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -14.970 4.943 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -15.847 3.460 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -13.643 2.831 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.414 4.568 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -15.706 4.874 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -15.963 3.141 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.094 2.832 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -13.857 4.567 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -15.209 3.814 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.118 4.825 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.348 3.143 4.183 1.00 0.00 H new ATOM 364 N GLY A 747 -15.237 2.290 -3.760 1.00 0.00 N ATOM 365 CA GLY A 747 -15.882 2.367 -5.042 1.00 0.00 C ATOM 366 C GLY A 747 -14.892 1.986 -6.102 1.00 0.00 C ATOM 367 O GLY A 747 -14.381 2.845 -6.829 1.00 0.00 O ATOM 0 H GLY A 747 -14.992 1.347 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -16.743 1.700 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -16.254 3.376 -5.218 1.00 0.00 H new ATOM 371 N LYS A 748 -14.501 0.724 -6.090 1.00 0.00 N ATOM 372 CA LYS A 748 -13.451 0.226 -6.958 1.00 0.00 C ATOM 373 C LYS A 748 -13.667 -1.238 -7.312 1.00 0.00 C ATOM 374 O LYS A 748 -13.582 -1.617 -8.474 1.00 0.00 O ATOM 375 CB LYS A 748 -12.065 0.498 -6.286 1.00 0.00 C ATOM 376 CG LYS A 748 -10.820 -0.132 -6.928 1.00 0.00 C ATOM 377 CD LYS A 748 -10.496 -1.515 -6.342 1.00 0.00 C ATOM 378 CE LYS A 748 -10.516 -2.598 -7.428 1.00 0.00 C ATOM 379 NZ LYS A 748 -9.579 -2.295 -8.533 1.00 0.00 N ATOM 0 H LYS A 748 -14.904 0.015 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 748 -13.475 0.758 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -11.915 1.577 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -12.120 0.153 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -10.975 -0.223 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -9.966 0.530 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -9.515 -1.491 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -11.220 -1.762 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -10.255 -3.559 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -11.526 -2.693 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.234 -3.184 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -10.070 -1.739 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.774 -1.749 -8.166 1.00 0.00 H new ATOM 393 N GLY A 749 -13.934 -2.061 -6.323 1.00 0.00 N ATOM 394 CA GLY A 749 -14.139 -3.467 -6.596 1.00 0.00 C ATOM 395 C GLY A 749 -15.443 -3.938 -6.059 1.00 0.00 C ATOM 396 O GLY A 749 -15.914 -3.411 -5.059 1.00 0.00 O ATOM 0 H GLY A 749 -14.013 -1.790 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -14.103 -3.640 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -13.330 -4.047 -6.153 1.00 0.00 H new ATOM 400 N HIS A 750 -16.025 -4.941 -6.683 1.00 0.00 N ATOM 401 CA HIS A 750 -17.291 -5.484 -6.196 1.00 0.00 C ATOM 402 C HIS A 750 -17.026 -6.452 -5.084 1.00 0.00 C ATOM 403 O HIS A 750 -17.729 -6.465 -4.078 1.00 0.00 O ATOM 404 CB HIS A 750 -18.087 -6.175 -7.303 1.00 0.00 C ATOM 405 CG HIS A 750 -18.475 -5.274 -8.423 1.00 0.00 C ATOM 406 ND1 HIS A 750 -19.612 -4.497 -8.406 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.873 -5.032 -9.607 1.00 0.00 C ATOM 408 CE1 HIS A 750 -19.691 -3.816 -9.538 1.00 0.00 C ATOM 409 NE2 HIS A 750 -18.646 -4.123 -10.283 1.00 0.00 N ATOM 0 H HIS A 750 -15.654 -5.396 -7.517 1.00 0.00 H new ATOM 0 HA HIS A 750 -17.891 -4.649 -5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -17.495 -6.999 -7.702 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -18.988 -6.610 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -16.952 -5.473 -9.957 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -20.477 -3.126 -9.806 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -18.446 -3.746 -11.209 1.00 0.00 H new ATOM 418 N THR A 751 -15.995 -7.239 -5.252 1.00 0.00 N ATOM 419 CA THR A 751 -15.618 -8.176 -4.244 1.00 0.00 C ATOM 420 C THR A 751 -14.290 -7.704 -3.645 1.00 0.00 C ATOM 421 O THR A 751 -13.433 -7.169 -4.372 1.00 0.00 O ATOM 422 CB THR A 751 -15.428 -9.552 -4.900 1.00 0.00 C ATOM 423 OG1 THR A 751 -16.393 -9.757 -5.929 1.00 0.00 O ATOM 424 CG2 THR A 751 -15.577 -10.710 -3.931 1.00 0.00 C ATOM 0 H THR A 751 -15.404 -7.244 -6.083 1.00 0.00 H new ATOM 0 HA THR A 751 -16.379 -8.248 -3.467 1.00 0.00 H new ATOM 0 HB THR A 751 -14.410 -9.539 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 751 -16.119 -9.273 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.430 -11.650 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 751 -14.833 -10.620 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.575 -10.692 -3.494 1.00 0.00 H new ATOM 432 N ASP A 752 -14.080 -7.960 -2.360 1.00 0.00 N ATOM 433 CA ASP A 752 -12.808 -7.631 -1.714 1.00 0.00 C ATOM 434 C ASP A 752 -11.678 -8.445 -2.270 1.00 0.00 C ATOM 435 O ASP A 752 -10.588 -7.947 -2.379 1.00 0.00 O ATOM 436 CB ASP A 752 -12.861 -7.714 -0.183 1.00 0.00 C ATOM 437 CG ASP A 752 -13.690 -6.626 0.433 1.00 0.00 C ATOM 438 OD1 ASP A 752 -14.900 -6.795 0.538 1.00 0.00 O ATOM 439 OD2 ASP A 752 -13.129 -5.587 0.819 1.00 0.00 O ATOM 0 H ASP A 752 -14.768 -8.392 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.617 -6.584 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.267 -8.683 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.847 -7.660 0.214 1.00 0.00 H new ATOM 444 N ALA A 753 -11.968 -9.690 -2.681 1.00 0.00 N ATOM 445 CA ALA A 753 -10.954 -10.587 -3.269 1.00 0.00 C ATOM 446 C ALA A 753 -10.313 -9.987 -4.527 1.00 0.00 C ATOM 447 O ALA A 753 -9.135 -10.184 -4.777 1.00 0.00 O ATOM 448 CB ALA A 753 -11.547 -11.956 -3.574 1.00 0.00 C ATOM 0 H ALA A 753 -12.899 -10.101 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 753 -10.166 -10.706 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.779 -12.597 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.918 -12.405 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -12.369 -11.847 -4.281 1.00 0.00 H new ATOM 454 N GLU A 754 -11.075 -9.183 -5.258 1.00 0.00 N ATOM 455 CA GLU A 754 -10.563 -8.456 -6.430 1.00 0.00 C ATOM 456 C GLU A 754 -9.525 -7.427 -6.011 1.00 0.00 C ATOM 457 O GLU A 754 -8.572 -7.139 -6.729 1.00 0.00 O ATOM 458 CB GLU A 754 -11.683 -7.709 -7.127 1.00 0.00 C ATOM 459 CG GLU A 754 -12.766 -8.570 -7.707 1.00 0.00 C ATOM 460 CD GLU A 754 -13.783 -7.735 -8.359 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.421 -7.025 -9.299 1.00 0.00 O ATOM 462 OE2 GLU A 754 -14.934 -7.739 -7.914 1.00 0.00 O ATOM 0 H GLU A 754 -12.061 -9.012 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 754 -10.121 -9.194 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -12.134 -7.017 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -11.253 -7.107 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -12.339 -9.267 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -13.226 -9.168 -6.920 1.00 0.00 H new ATOM 469 N ILE A 755 -9.774 -6.848 -4.875 1.00 0.00 N ATOM 470 CA ILE A 755 -8.969 -5.815 -4.298 1.00 0.00 C ATOM 471 C ILE A 755 -7.744 -6.445 -3.693 1.00 0.00 C ATOM 472 O ILE A 755 -6.641 -5.929 -3.794 1.00 0.00 O ATOM 473 CB ILE A 755 -9.813 -5.010 -3.293 1.00 0.00 C ATOM 474 CG1 ILE A 755 -11.077 -4.553 -4.028 1.00 0.00 C ATOM 475 CG2 ILE A 755 -9.043 -3.800 -2.761 1.00 0.00 C ATOM 476 CD1 ILE A 755 -12.045 -3.803 -3.195 1.00 0.00 C ATOM 0 H ILE A 755 -10.580 -7.094 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 755 -8.627 -5.103 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 755 -10.061 -5.631 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -10.784 -3.927 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -11.577 -5.429 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.667 -3.254 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -8.136 -4.138 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -8.776 -3.145 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -12.906 -3.522 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -12.374 -4.430 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -11.568 -2.904 -2.803 1.00 0.00 H new ATOM 488 N GLU A 756 -7.944 -7.601 -3.139 1.00 0.00 N ATOM 489 CA GLU A 756 -6.884 -8.405 -2.619 1.00 0.00 C ATOM 490 C GLU A 756 -5.947 -8.879 -3.756 1.00 0.00 C ATOM 491 O GLU A 756 -4.743 -9.034 -3.555 1.00 0.00 O ATOM 492 CB GLU A 756 -7.486 -9.565 -1.879 1.00 0.00 C ATOM 493 CG GLU A 756 -8.317 -9.131 -0.695 1.00 0.00 C ATOM 494 CD GLU A 756 -8.859 -10.255 0.077 1.00 0.00 C ATOM 495 OE1 GLU A 756 -8.094 -10.880 0.795 1.00 0.00 O ATOM 496 OE2 GLU A 756 -10.048 -10.516 -0.019 1.00 0.00 O ATOM 0 H GLU A 756 -8.868 -8.020 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 756 -6.274 -7.820 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.108 -10.143 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -6.689 -10.225 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -7.706 -8.510 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -9.141 -8.510 -1.046 1.00 0.00 H new ATOM 503 N ALA A 757 -6.499 -9.012 -4.960 1.00 0.00 N ATOM 504 CA ALA A 757 -5.696 -9.354 -6.146 1.00 0.00 C ATOM 505 C ALA A 757 -4.776 -8.193 -6.541 1.00 0.00 C ATOM 506 O ALA A 757 -3.592 -8.380 -6.777 1.00 0.00 O ATOM 507 CB ALA A 757 -6.578 -9.755 -7.310 1.00 0.00 C ATOM 0 H ALA A 757 -7.494 -8.890 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 757 -5.073 -10.210 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.956 -10.001 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -7.174 -10.624 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -7.240 -8.928 -7.566 1.00 0.00 H new ATOM 513 N ILE A 758 -5.319 -6.986 -6.544 1.00 0.00 N ATOM 514 CA ILE A 758 -4.533 -5.780 -6.816 1.00 0.00 C ATOM 515 C ILE A 758 -3.506 -5.534 -5.678 1.00 0.00 C ATOM 516 O ILE A 758 -2.386 -5.085 -5.911 1.00 0.00 O ATOM 517 CB ILE A 758 -5.453 -4.524 -7.240 1.00 0.00 C ATOM 518 CG1 ILE A 758 -4.733 -3.163 -7.339 1.00 0.00 C ATOM 519 CG2 ILE A 758 -6.688 -4.384 -6.403 1.00 0.00 C ATOM 520 CD1 ILE A 758 -4.442 -2.484 -6.004 1.00 0.00 C ATOM 0 H ILE A 758 -6.307 -6.809 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.927 -5.935 -7.709 1.00 0.00 H new ATOM 0 HB ILE A 758 -5.739 -4.789 -8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -3.791 -3.306 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -5.341 -2.491 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -7.261 -3.520 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -7.296 -5.283 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -6.406 -4.246 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.935 -1.536 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -5.378 -2.302 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -3.804 -3.129 -5.399 1.00 0.00 H new ATOM 532 N PHE A 759 -3.914 -5.897 -4.476 1.00 0.00 N ATOM 533 CA PHE A 759 -3.148 -5.772 -3.220 1.00 0.00 C ATOM 534 C PHE A 759 -1.768 -6.427 -3.261 1.00 0.00 C ATOM 535 O PHE A 759 -0.826 -5.894 -2.667 1.00 0.00 O ATOM 536 CB PHE A 759 -4.010 -6.448 -2.128 1.00 0.00 C ATOM 537 CG PHE A 759 -3.343 -6.886 -0.855 1.00 0.00 C ATOM 538 CD1 PHE A 759 -3.061 -5.996 0.141 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.038 -8.221 -0.655 1.00 0.00 C ATOM 540 CE1 PHE A 759 -2.483 -6.412 1.314 1.00 0.00 C ATOM 541 CE2 PHE A 759 -2.465 -8.642 0.517 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.186 -7.734 1.501 1.00 0.00 C ATOM 0 H PHE A 759 -4.835 -6.310 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 759 -2.956 -4.716 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -4.810 -5.757 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.481 -7.324 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -3.296 -4.951 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -3.254 -8.940 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -2.262 -5.695 2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -2.235 -9.687 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 759 -1.732 -8.061 2.425 1.00 0.00 H new ATOM 552 N THR A 760 -1.645 -7.588 -3.868 1.00 0.00 N ATOM 553 CA THR A 760 -0.359 -8.276 -3.844 1.00 0.00 C ATOM 554 C THR A 760 0.713 -7.573 -4.691 1.00 0.00 C ATOM 555 O THR A 760 1.864 -7.429 -4.273 1.00 0.00 O ATOM 556 CB THR A 760 -0.530 -9.761 -4.246 1.00 0.00 C ATOM 557 OG1 THR A 760 0.702 -10.444 -4.321 1.00 0.00 O ATOM 558 CG2 THR A 760 -1.280 -10.013 -5.542 1.00 0.00 C ATOM 0 H THR A 760 -2.391 -8.069 -4.371 1.00 0.00 H new ATOM 0 HA THR A 760 0.006 -8.239 -2.818 1.00 0.00 H new ATOM 0 HB THR A 760 -1.145 -10.149 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 760 0.544 -11.377 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 760 -1.340 -11.086 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 760 -2.286 -9.601 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 760 -0.753 -9.534 -6.367 1.00 0.00 H new ATOM 566 N LYS A 761 0.363 -7.253 -5.894 1.00 0.00 N ATOM 567 CA LYS A 761 1.320 -6.680 -6.844 1.00 0.00 C ATOM 568 C LYS A 761 1.362 -5.141 -6.915 1.00 0.00 C ATOM 569 O LYS A 761 2.385 -4.575 -7.271 1.00 0.00 O ATOM 570 CB LYS A 761 1.105 -7.266 -8.241 1.00 0.00 C ATOM 571 CG LYS A 761 1.218 -8.809 -8.373 1.00 0.00 C ATOM 572 CD LYS A 761 2.642 -9.369 -8.146 1.00 0.00 C ATOM 573 CE LYS A 761 3.028 -9.570 -6.662 1.00 0.00 C ATOM 574 NZ LYS A 761 4.410 -10.085 -6.528 1.00 0.00 N ATOM 0 H LYS A 761 -0.580 -7.371 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 761 2.295 -6.966 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.116 -6.966 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.831 -6.812 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 761 0.540 -9.273 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 761 0.880 -9.102 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 761 2.728 -10.325 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 761 3.362 -8.692 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 761 2.938 -8.623 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 761 2.332 -10.266 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 4.638 -10.209 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 4.488 -11.000 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 5.075 -9.408 -6.953 1.00 0.00 H new ATOM 588 N TYR A 762 0.214 -4.509 -6.831 1.00 0.00 N ATOM 589 CA TYR A 762 0.103 -3.081 -7.180 1.00 0.00 C ATOM 590 C TYR A 762 0.242 -2.069 -6.054 1.00 0.00 C ATOM 591 O TYR A 762 0.073 -0.869 -6.328 1.00 0.00 O ATOM 592 CB TYR A 762 -1.198 -2.798 -7.910 1.00 0.00 C ATOM 593 CG TYR A 762 -1.334 -3.424 -9.275 1.00 0.00 C ATOM 594 CD1 TYR A 762 -1.873 -4.693 -9.439 1.00 0.00 C ATOM 595 CD2 TYR A 762 -0.948 -2.729 -10.405 1.00 0.00 C ATOM 596 CE1 TYR A 762 -2.013 -5.249 -10.694 1.00 0.00 C ATOM 597 CE2 TYR A 762 -1.090 -3.272 -11.657 1.00 0.00 C ATOM 598 CZ TYR A 762 -1.620 -4.530 -11.801 1.00 0.00 C ATOM 599 OH TYR A 762 -1.769 -5.065 -13.056 1.00 0.00 O ATOM 0 H TYR A 762 -0.658 -4.942 -6.528 1.00 0.00 H new ATOM 0 HA TYR A 762 0.980 -2.933 -7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -2.024 -3.144 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -1.307 -1.718 -8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -2.187 -5.253 -8.571 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -0.527 -1.740 -10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -2.427 -6.240 -10.807 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -0.785 -2.711 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 762 -1.443 -4.427 -13.724 1.00 0.00 H new ATOM 609 N ASP A 763 0.406 -2.474 -4.803 1.00 0.00 N ATOM 610 CA ASP A 763 0.418 -1.446 -3.743 1.00 0.00 C ATOM 611 C ASP A 763 1.589 -0.488 -3.875 1.00 0.00 C ATOM 612 O ASP A 763 2.705 -0.894 -4.207 1.00 0.00 O ATOM 613 CB ASP A 763 0.346 -2.001 -2.331 1.00 0.00 C ATOM 614 CG ASP A 763 0.270 -0.876 -1.324 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.703 -0.111 -1.374 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.175 -0.748 -0.509 1.00 0.00 O ATOM 0 H ASP A 763 0.526 -3.440 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 763 -0.506 -0.890 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.527 -2.646 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.222 -2.618 -2.131 1.00 0.00 H new ATOM 621 N GLN A 764 1.301 0.785 -3.645 1.00 0.00 N ATOM 622 CA GLN A 764 2.266 1.859 -3.760 1.00 0.00 C ATOM 623 C GLN A 764 3.424 1.705 -2.771 1.00 0.00 C ATOM 624 O GLN A 764 4.583 1.887 -3.147 1.00 0.00 O ATOM 625 CB GLN A 764 1.563 3.211 -3.580 1.00 0.00 C ATOM 626 CG GLN A 764 0.454 3.469 -4.601 1.00 0.00 C ATOM 627 CD GLN A 764 -0.242 4.795 -4.390 1.00 0.00 C ATOM 628 OE1 GLN A 764 -1.240 4.883 -3.675 1.00 0.00 O ATOM 629 NE2 GLN A 764 0.288 5.835 -4.981 1.00 0.00 N ATOM 0 H GLN A 764 0.372 1.102 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 764 2.702 1.813 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 764 1.139 3.259 -2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.303 4.008 -3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 764 0.878 3.442 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -0.280 2.666 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 764 1.116 5.722 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -0.127 6.759 -4.856 1.00 0.00 H new ATOM 638 N ASP A 765 3.131 1.324 -1.532 1.00 0.00 N ATOM 639 CA ASP A 765 4.205 1.132 -0.558 1.00 0.00 C ATOM 640 C ASP A 765 4.588 -0.338 -0.438 1.00 0.00 C ATOM 641 O ASP A 765 5.563 -0.688 0.232 1.00 0.00 O ATOM 642 CB ASP A 765 3.826 1.706 0.817 1.00 0.00 C ATOM 643 CG ASP A 765 3.635 3.187 0.792 1.00 0.00 C ATOM 644 OD1 ASP A 765 4.623 3.909 0.679 1.00 0.00 O ATOM 645 OD2 ASP A 765 2.492 3.647 0.906 1.00 0.00 O ATOM 0 H ASP A 765 2.189 1.146 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 765 5.074 1.680 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 765 2.908 1.231 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 765 4.605 1.457 1.537 1.00 0.00 H new ATOM 650 N GLY A 766 3.859 -1.186 -1.139 1.00 0.00 N ATOM 651 CA GLY A 766 4.151 -2.604 -1.167 1.00 0.00 C ATOM 652 C GLY A 766 3.451 -3.416 -0.085 1.00 0.00 C ATOM 653 O GLY A 766 3.436 -4.647 -0.154 1.00 0.00 O ATOM 0 H GLY A 766 3.053 -0.912 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 766 3.867 -3.001 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 766 5.228 -2.742 -1.068 1.00 0.00 H new ATOM 657 N ASP A 767 2.881 -2.767 0.915 1.00 0.00 N ATOM 658 CA ASP A 767 2.227 -3.504 1.983 1.00 0.00 C ATOM 659 C ASP A 767 0.713 -3.485 1.909 1.00 0.00 C ATOM 660 O ASP A 767 0.103 -4.560 1.863 1.00 0.00 O ATOM 661 CB ASP A 767 2.731 -3.097 3.372 1.00 0.00 C ATOM 662 CG ASP A 767 4.066 -3.693 3.696 1.00 0.00 C ATOM 663 OD1 ASP A 767 4.100 -4.830 4.188 1.00 0.00 O ATOM 664 OD2 ASP A 767 5.091 -3.062 3.448 1.00 0.00 O ATOM 0 H ASP A 767 2.857 -1.752 1.011 1.00 0.00 H new ATOM 0 HA ASP A 767 2.518 -4.542 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.799 -2.010 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 767 2.006 -3.409 4.124 1.00 0.00 H new ATOM 669 N GLN A 768 0.112 -2.274 1.886 1.00 0.00 N ATOM 670 CA GLN A 768 -1.370 -2.069 1.819 1.00 0.00 C ATOM 671 C GLN A 768 -2.026 -2.840 2.964 1.00 0.00 C ATOM 672 O GLN A 768 -2.720 -3.822 2.737 1.00 0.00 O ATOM 673 CB GLN A 768 -1.901 -2.561 0.475 1.00 0.00 C ATOM 674 CG GLN A 768 -3.217 -1.963 0.055 1.00 0.00 C ATOM 675 CD GLN A 768 -3.693 -2.494 -1.277 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.544 -3.483 -1.239 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -3.352 -1.969 -2.328 1.00 0.00 N flip ATOM 0 H GLN A 768 0.637 -1.400 1.913 1.00 0.00 H new ATOM 0 HA GLN A 768 -1.604 -1.009 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.159 -2.345 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.009 -3.645 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -3.968 -2.174 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -3.118 -0.879 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -2.684 -1.198 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -3.735 -2.302 -3.213 1.00 0.00 H new ATOM 686 N GLU A 769 -1.869 -2.289 4.163 1.00 0.00 N ATOM 687 CA GLU A 769 -2.341 -2.796 5.496 1.00 0.00 C ATOM 688 C GLU A 769 -1.326 -2.358 6.602 1.00 0.00 C ATOM 689 O GLU A 769 -1.361 -2.845 7.725 1.00 0.00 O ATOM 690 CB GLU A 769 -2.653 -4.340 5.571 1.00 0.00 C ATOM 691 CG GLU A 769 -1.537 -5.329 5.191 1.00 0.00 C ATOM 692 CD GLU A 769 -0.412 -5.377 6.150 1.00 0.00 C ATOM 693 OE1 GLU A 769 -0.569 -5.972 7.205 1.00 0.00 O ATOM 694 OE2 GLU A 769 0.650 -4.836 5.842 1.00 0.00 O ATOM 0 H GLU A 769 -1.371 -1.404 4.262 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.315 -2.336 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.965 -4.567 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.508 -4.538 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.967 -6.327 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -1.150 -5.061 4.208 1.00 0.00 H new ATOM 701 N LEU A 770 -0.476 -1.354 6.269 1.00 0.00 N ATOM 702 CA LEU A 770 0.524 -0.822 7.199 1.00 0.00 C ATOM 703 C LEU A 770 0.031 0.545 7.710 1.00 0.00 C ATOM 704 O LEU A 770 -0.397 1.449 6.911 1.00 0.00 O ATOM 705 CB LEU A 770 1.868 -0.672 6.430 1.00 0.00 C ATOM 706 CG LEU A 770 3.195 -0.586 7.233 1.00 0.00 C ATOM 707 CD1 LEU A 770 4.364 -0.532 6.277 1.00 0.00 C ATOM 708 CD2 LEU A 770 3.256 0.620 8.142 1.00 0.00 C ATOM 0 H LEU A 770 -0.472 -0.901 5.355 1.00 0.00 H new ATOM 0 HA LEU A 770 0.672 -1.486 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.952 -1.518 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.797 0.226 5.817 1.00 0.00 H new ATOM 0 HG LEU A 770 3.241 -1.476 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 770 5.294 -0.472 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 770 4.372 -1.431 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 770 4.271 0.346 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 770 4.206 0.625 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 770 3.169 1.529 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 770 2.437 0.577 8.860 1.00 0.00 H new ATOM 720 N THR A 771 0.026 0.684 9.026 1.00 0.00 N ATOM 721 CA THR A 771 -0.544 1.833 9.631 1.00 0.00 C ATOM 722 C THR A 771 0.438 2.698 10.480 1.00 0.00 C ATOM 723 O THR A 771 1.588 2.316 10.762 1.00 0.00 O ATOM 724 CB THR A 771 -1.832 1.439 10.405 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.543 2.577 10.871 1.00 0.00 O ATOM 726 CG2 THR A 771 -1.578 0.529 11.590 1.00 0.00 C ATOM 0 H THR A 771 0.415 0.004 9.679 1.00 0.00 H new ATOM 0 HA THR A 771 -0.812 2.506 8.817 1.00 0.00 H new ATOM 0 HB THR A 771 -2.427 0.894 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 771 -3.347 2.287 11.351 1.00 0.00 H new ATOM 0 HG21 THR A 771 -2.524 0.297 12.080 1.00 0.00 H new ATOM 0 HG22 THR A 771 -1.112 -0.394 11.246 1.00 0.00 H new ATOM 0 HG23 THR A 771 -0.916 1.029 12.297 1.00 0.00 H new