USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 613 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 704 TYR OH : rot 130:sc= -1.96! USER MOD Set 1.2: A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 714 SER OG : rot 48:sc= 0.00855 USER MOD Set 2.2: A 715 ASN :FLIP amide:sc= -0.0629 F(o=-3.3!,f=-0.054) USER MOD Single : A 688 SER OG : rot -20:sc= 0.521 USER MOD Single : A 699 LYS NZ :NH3+ -161:sc= -0.0681 (180deg=-0.475) USER MOD Single : A 709 SER OG : rot 180:sc= -0.168 USER MOD Single : A 711 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.3) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 723 ASN :FLIP amide:sc= -4.6! C(o=-9.5!,f=-4.6!) USER MOD Single : A 728 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 735 MET CE :methyl 156:sc= -3.21 (180deg=-4.64!) USER MOD Single : A 736 LYS NZ :NH3+ -109:sc= -5.39! (180deg=-6.97!) USER MOD Single : A 738 LYS NZ :NH3+ -170:sc=-0.00596 (180deg=-0.168) USER MOD Single : A 741 SER OG : rot 180:sc= 0 USER MOD Single : A 742 SER OG : rot 180:sc= 0 USER MOD Single : A 745 THR OG1 : rot 180:sc= 0 USER MOD Single : A 747 SER OG : rot 170:sc= -1.12 USER MOD Single : A 748 GLN :FLIP amide:sc=-0.00422 F(o=-0.84,f=-0.0042) USER MOD Single : A 749 THR OG1 : rot 180:sc= 0 USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 LYS NZ :NH3+ 166:sc= -0.0443 (180deg=-0.254) USER MOD Single : A 756 MET CE :methyl -148:sc= -0.134 (180deg=-0.683) USER MOD Single : A 759 ASN :FLIP amide:sc= -0.0292 F(o=-3.1!,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 685 -8.421 2.319 -10.465 1.00 0.00 N ATOM 2 CA GLY A 685 -7.128 2.250 -9.729 1.00 0.00 C ATOM 3 C GLY A 685 -5.966 2.750 -10.559 1.00 0.00 C ATOM 4 O GLY A 685 -4.911 2.118 -10.609 1.00 0.00 O ATOM 0 HA2 GLY A 685 -7.200 2.841 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -6.939 1.220 -9.427 1.00 0.00 H new ATOM 8 N VAL A 686 -6.160 3.891 -11.217 1.00 0.00 N ATOM 9 CA VAL A 686 -5.117 4.483 -12.045 1.00 0.00 C ATOM 10 C VAL A 686 -3.874 4.765 -11.213 1.00 0.00 C ATOM 11 O VAL A 686 -2.763 4.853 -11.735 1.00 0.00 O ATOM 12 CB VAL A 686 -5.599 5.788 -12.705 1.00 0.00 C ATOM 13 CG1 VAL A 686 -4.578 6.290 -13.713 1.00 0.00 C ATOM 14 CG2 VAL A 686 -6.955 5.582 -13.363 1.00 0.00 C ATOM 0 H VAL A 686 -7.030 4.422 -11.192 1.00 0.00 H new ATOM 0 HA VAL A 686 -4.874 3.766 -12.830 1.00 0.00 H new ATOM 0 HB VAL A 686 -5.707 6.547 -11.930 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -4.939 7.213 -14.167 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -3.631 6.480 -13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -4.431 5.537 -14.488 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -7.281 6.514 -13.825 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -6.875 4.808 -14.126 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -7.682 5.276 -12.610 1.00 0.00 H new ATOM 24 N GLU A 687 -4.081 4.899 -9.911 1.00 0.00 N ATOM 25 CA GLU A 687 -2.993 5.160 -8.977 1.00 0.00 C ATOM 26 C GLU A 687 -2.094 3.934 -8.855 1.00 0.00 C ATOM 27 O GLU A 687 -0.870 4.030 -8.941 1.00 0.00 O ATOM 28 CB GLU A 687 -3.554 5.531 -7.602 1.00 0.00 C ATOM 29 CG GLU A 687 -4.350 6.829 -7.587 1.00 0.00 C ATOM 30 CD GLU A 687 -5.590 6.772 -8.458 1.00 0.00 C ATOM 31 OE1 GLU A 687 -6.616 6.230 -7.996 1.00 0.00 O ATOM 32 OE2 GLU A 687 -5.535 7.269 -9.602 1.00 0.00 O ATOM 0 H GLU A 687 -5.000 4.831 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 687 -2.403 5.994 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -4.193 4.721 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -2.729 5.615 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -4.642 7.058 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -3.711 7.645 -7.926 1.00 0.00 H new ATOM 39 N SER A 688 -2.715 2.779 -8.651 1.00 0.00 N ATOM 40 CA SER A 688 -1.980 1.529 -8.525 1.00 0.00 C ATOM 41 C SER A 688 -1.413 1.105 -9.875 1.00 0.00 C ATOM 42 O SER A 688 -0.411 0.395 -9.941 1.00 0.00 O ATOM 43 CB SER A 688 -2.888 0.429 -7.972 1.00 0.00 C ATOM 44 OG SER A 688 -3.984 0.188 -8.839 1.00 0.00 O ATOM 0 H SER A 688 -3.727 2.683 -8.569 1.00 0.00 H new ATOM 0 HA SER A 688 -1.154 1.686 -7.831 1.00 0.00 H new ATOM 0 HB2 SER A 688 -2.315 -0.489 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 688 -3.256 0.718 -6.987 1.00 0.00 H new ATOM 0 HG SER A 688 -4.115 0.963 -9.424 1.00 0.00 H new ATOM 50 N ALA A 689 -2.064 1.547 -10.950 1.00 0.00 N ATOM 51 CA ALA A 689 -1.633 1.207 -12.302 1.00 0.00 C ATOM 52 C ALA A 689 -0.190 1.628 -12.554 1.00 0.00 C ATOM 53 O ALA A 689 0.651 0.794 -12.888 1.00 0.00 O ATOM 54 CB ALA A 689 -2.559 1.841 -13.329 1.00 0.00 C ATOM 0 H ALA A 689 -2.892 2.141 -10.909 1.00 0.00 H new ATOM 0 HA ALA A 689 -1.683 0.123 -12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -2.224 1.578 -14.332 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -3.575 1.475 -13.178 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -2.543 2.925 -13.214 1.00 0.00 H new ATOM 60 N VAL A 690 0.094 2.921 -12.405 1.00 0.00 N ATOM 61 CA VAL A 690 1.448 3.424 -12.608 1.00 0.00 C ATOM 62 C VAL A 690 2.436 2.615 -11.783 1.00 0.00 C ATOM 63 O VAL A 690 3.505 2.231 -12.259 1.00 0.00 O ATOM 64 CB VAL A 690 1.580 4.906 -12.207 1.00 0.00 C ATOM 65 CG1 VAL A 690 0.863 5.805 -13.200 1.00 0.00 C ATOM 66 CG2 VAL A 690 1.050 5.132 -10.800 1.00 0.00 C ATOM 0 H VAL A 690 -0.590 3.632 -12.147 1.00 0.00 H new ATOM 0 HA VAL A 690 1.666 3.328 -13.672 1.00 0.00 H new ATOM 0 HB VAL A 690 2.639 5.165 -12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 690 0.972 6.845 -12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 690 1.297 5.671 -14.191 1.00 0.00 H new ATOM 0 HG13 VAL A 690 -0.195 5.544 -13.229 1.00 0.00 H new ATOM 0 HG21 VAL A 690 1.153 6.185 -10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 690 -0.002 4.848 -10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.618 4.525 -10.095 1.00 0.00 H new ATOM 76 N LEU A 691 2.058 2.371 -10.538 1.00 0.00 N ATOM 77 CA LEU A 691 2.879 1.608 -9.611 1.00 0.00 C ATOM 78 C LEU A 691 3.177 0.209 -10.143 1.00 0.00 C ATOM 79 O LEU A 691 4.304 -0.275 -10.041 1.00 0.00 O ATOM 80 CB LEU A 691 2.168 1.504 -8.268 1.00 0.00 C ATOM 81 CG LEU A 691 1.773 2.835 -7.632 1.00 0.00 C ATOM 82 CD1 LEU A 691 0.934 2.610 -6.382 1.00 0.00 C ATOM 83 CD2 LEU A 691 3.010 3.653 -7.303 1.00 0.00 C ATOM 0 H LEU A 691 1.176 2.695 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 691 3.828 2.131 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 691 1.269 0.901 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.815 0.967 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 691 1.170 3.391 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 691 0.665 3.572 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 691 0.028 2.064 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 691 1.508 2.032 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 691 2.711 4.599 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 691 3.638 3.099 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 691 3.570 3.849 -8.217 1.00 0.00 H new ATOM 95 N ARG A 692 2.154 -0.435 -10.701 1.00 0.00 N ATOM 96 CA ARG A 692 2.289 -1.783 -11.248 1.00 0.00 C ATOM 97 C ARG A 692 2.628 -2.802 -10.163 1.00 0.00 C ATOM 98 O ARG A 692 3.593 -3.557 -10.292 1.00 0.00 O ATOM 99 CB ARG A 692 3.356 -1.814 -12.342 1.00 0.00 C ATOM 100 CG ARG A 692 2.927 -1.125 -13.623 1.00 0.00 C ATOM 101 CD ARG A 692 4.019 -1.187 -14.675 1.00 0.00 C ATOM 102 NE ARG A 692 4.449 -2.558 -14.938 1.00 0.00 N ATOM 103 CZ ARG A 692 5.573 -2.869 -15.578 1.00 0.00 C ATOM 104 NH1 ARG A 692 6.373 -1.910 -16.025 1.00 0.00 N ATOM 105 NH2 ARG A 692 5.897 -4.140 -15.772 1.00 0.00 N ATOM 0 H ARG A 692 1.217 -0.042 -10.786 1.00 0.00 H new ATOM 0 HA ARG A 692 1.325 -2.056 -11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 692 4.262 -1.338 -11.968 1.00 0.00 H new ATOM 0 HB3 ARG A 692 3.609 -2.851 -12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 692 2.022 -1.597 -14.007 1.00 0.00 H new ATOM 0 HG3 ARG A 692 2.680 -0.084 -13.413 1.00 0.00 H new ATOM 0 HD2 ARG A 692 3.658 -0.737 -15.600 1.00 0.00 H new ATOM 0 HD3 ARG A 692 4.874 -0.596 -14.346 1.00 0.00 H new ATOM 0 HE ARG A 692 3.854 -3.320 -14.613 1.00 0.00 H new ATOM 0 HH11 ARG A 692 6.127 -0.931 -15.878 1.00 0.00 H new ATOM 0 HH12 ARG A 692 7.234 -2.152 -16.515 1.00 0.00 H new ATOM 0 HH21 ARG A 692 5.284 -4.880 -15.430 1.00 0.00 H new ATOM 0 HH22 ARG A 692 6.759 -4.377 -16.263 1.00 0.00 H new ATOM 119 N GLY A 693 1.831 -2.830 -9.095 1.00 0.00 N ATOM 120 CA GLY A 693 2.078 -3.781 -8.026 1.00 0.00 C ATOM 121 C GLY A 693 1.520 -3.346 -6.683 1.00 0.00 C ATOM 122 O GLY A 693 2.034 -3.750 -5.640 1.00 0.00 O ATOM 0 H GLY A 693 1.028 -2.218 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.640 -4.742 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 693 3.153 -3.936 -7.930 1.00 0.00 H new ATOM 126 N PHE A 694 0.471 -2.525 -6.694 1.00 0.00 N ATOM 127 CA PHE A 694 -0.134 -2.060 -5.447 1.00 0.00 C ATOM 128 C PHE A 694 -1.657 -2.040 -5.517 1.00 0.00 C ATOM 129 O PHE A 694 -2.254 -2.281 -6.567 1.00 0.00 O ATOM 130 CB PHE A 694 0.360 -0.659 -5.099 1.00 0.00 C ATOM 131 CG PHE A 694 1.815 -0.587 -4.748 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.766 -0.444 -5.736 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.229 -0.643 -3.430 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.106 -0.356 -5.424 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.569 -0.558 -3.110 1.00 0.00 C ATOM 136 CZ PHE A 694 4.506 -0.414 -4.107 1.00 0.00 C ATOM 0 H PHE A 694 0.027 -2.172 -7.541 1.00 0.00 H new ATOM 0 HA PHE A 694 0.167 -2.767 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.169 0.001 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.223 -0.279 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.457 -0.400 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.497 -0.754 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.839 -0.242 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 694 3.882 -0.605 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.555 -0.346 -3.857 1.00 0.00 H new ATOM 146 N LEU A 695 -2.272 -1.753 -4.372 1.00 0.00 N ATOM 147 CA LEU A 695 -3.723 -1.662 -4.256 1.00 0.00 C ATOM 148 C LEU A 695 -4.095 -0.347 -3.589 1.00 0.00 C ATOM 149 O LEU A 695 -3.366 0.143 -2.729 1.00 0.00 O ATOM 150 CB LEU A 695 -4.280 -2.819 -3.431 1.00 0.00 C ATOM 151 CG LEU A 695 -4.453 -4.145 -4.165 1.00 0.00 C ATOM 152 CD1 LEU A 695 -4.945 -5.206 -3.197 1.00 0.00 C ATOM 153 CD2 LEU A 695 -5.424 -3.996 -5.325 1.00 0.00 C ATOM 0 H LEU A 695 -1.776 -1.577 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 695 -4.152 -1.711 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.620 -2.982 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -5.249 -2.520 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 695 -3.488 -4.450 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -5.067 -6.152 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -4.219 -5.330 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.903 -4.899 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -5.532 -4.954 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.395 -3.674 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -5.042 -3.254 -6.026 1.00 0.00 H new ATOM 165 N ILE A 696 -5.233 0.216 -3.966 1.00 0.00 N ATOM 166 CA ILE A 696 -5.663 1.487 -3.400 1.00 0.00 C ATOM 167 C ILE A 696 -6.702 1.300 -2.302 1.00 0.00 C ATOM 168 O ILE A 696 -7.809 0.828 -2.562 1.00 0.00 O ATOM 169 CB ILE A 696 -6.241 2.413 -4.498 1.00 0.00 C ATOM 170 CG1 ILE A 696 -5.111 3.042 -5.322 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.138 3.489 -3.898 1.00 0.00 C ATOM 172 CD1 ILE A 696 -4.194 3.944 -4.521 1.00 0.00 C ATOM 0 H ILE A 696 -5.871 -0.182 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 696 -4.779 1.949 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 696 -6.854 1.804 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -4.518 2.247 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -5.547 3.617 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -7.528 4.123 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -7.967 3.018 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -6.561 4.096 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -3.422 4.350 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -4.773 4.762 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -3.727 3.370 -3.721 1.00 0.00 H new ATOM 184 N LEU A 697 -6.347 1.667 -1.065 1.00 0.00 N ATOM 185 CA LEU A 697 -7.294 1.548 0.038 1.00 0.00 C ATOM 186 C LEU A 697 -7.883 2.903 0.389 1.00 0.00 C ATOM 187 O LEU A 697 -8.845 3.349 -0.237 1.00 0.00 O ATOM 188 CB LEU A 697 -6.667 0.912 1.279 1.00 0.00 C ATOM 189 CG LEU A 697 -5.212 1.270 1.543 1.00 0.00 C ATOM 190 CD1 LEU A 697 -4.946 1.301 3.036 1.00 0.00 C ATOM 191 CD2 LEU A 697 -4.291 0.277 0.852 1.00 0.00 C ATOM 0 H LEU A 697 -5.432 2.040 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 697 -8.091 0.886 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -7.256 1.201 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -6.744 -0.171 1.187 1.00 0.00 H new ATOM 0 HG LEU A 697 -5.012 2.261 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -3.902 1.558 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.588 2.046 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -5.156 0.321 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -3.253 0.545 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -4.485 -0.726 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -4.473 0.298 -0.222 1.00 0.00 H new ATOM 203 N GLY A 698 -7.304 3.556 1.386 1.00 0.00 N ATOM 204 CA GLY A 698 -7.801 4.853 1.796 1.00 0.00 C ATOM 205 C GLY A 698 -6.789 5.661 2.576 1.00 0.00 C ATOM 206 O GLY A 698 -5.634 5.260 2.722 1.00 0.00 O ATOM 0 H GLY A 698 -6.503 3.213 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -8.101 5.415 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -8.694 4.716 2.406 1.00 0.00 H new ATOM 210 N LYS A 699 -7.234 6.805 3.078 1.00 0.00 N ATOM 211 CA LYS A 699 -6.379 7.693 3.850 1.00 0.00 C ATOM 212 C LYS A 699 -6.575 7.474 5.343 1.00 0.00 C ATOM 213 O LYS A 699 -7.238 8.260 6.022 1.00 0.00 O ATOM 214 CB LYS A 699 -6.678 9.142 3.486 1.00 0.00 C ATOM 215 CG LYS A 699 -8.160 9.475 3.514 1.00 0.00 C ATOM 216 CD LYS A 699 -8.407 10.956 3.274 1.00 0.00 C ATOM 217 CE LYS A 699 -7.891 11.804 4.425 1.00 0.00 C ATOM 218 NZ LYS A 699 -8.506 11.411 5.724 1.00 0.00 N ATOM 0 H LYS A 699 -8.190 7.141 2.962 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.340 7.469 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.152 9.799 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.285 9.348 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -8.679 8.891 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -8.580 9.187 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -7.918 11.262 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -9.475 11.131 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -6.808 11.705 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -8.103 12.854 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.392 12.184 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -9.518 11.218 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -8.037 10.556 6.086 1.00 0.00 H new ATOM 232 N GLU A 700 -5.999 6.395 5.844 1.00 0.00 N ATOM 233 CA GLU A 700 -6.113 6.059 7.254 1.00 0.00 C ATOM 234 C GLU A 700 -4.940 5.208 7.700 1.00 0.00 C ATOM 235 O GLU A 700 -3.969 5.047 6.973 1.00 0.00 O ATOM 236 CB GLU A 700 -7.414 5.315 7.526 1.00 0.00 C ATOM 237 CG GLU A 700 -7.595 4.091 6.646 1.00 0.00 C ATOM 238 CD GLU A 700 -8.797 3.258 7.042 1.00 0.00 C ATOM 239 OE1 GLU A 700 -9.933 3.665 6.719 1.00 0.00 O ATOM 240 OE2 GLU A 700 -8.605 2.198 7.673 1.00 0.00 O ATOM 0 H GLU A 700 -5.447 5.736 5.295 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.111 6.991 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.439 5.010 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.253 5.994 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.703 4.407 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.698 3.475 6.699 1.00 0.00 H new ATOM 247 N ASP A 701 -5.024 4.679 8.909 1.00 0.00 N ATOM 248 CA ASP A 701 -3.958 3.840 9.429 1.00 0.00 C ATOM 249 C ASP A 701 -2.641 4.605 9.392 1.00 0.00 C ATOM 250 O ASP A 701 -1.622 4.109 8.910 1.00 0.00 O ATOM 251 CB ASP A 701 -3.880 2.550 8.605 1.00 0.00 C ATOM 252 CG ASP A 701 -3.004 1.492 9.249 1.00 0.00 C ATOM 253 OD1 ASP A 701 -2.055 1.860 9.973 1.00 0.00 O ATOM 254 OD2 ASP A 701 -3.269 0.291 9.031 1.00 0.00 O ATOM 0 H ASP A 701 -5.811 4.814 9.544 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.163 3.572 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -4.885 2.150 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.492 2.781 7.613 1.00 0.00 H new ATOM 259 N ARG A 702 -2.683 5.831 9.909 1.00 0.00 N ATOM 260 CA ARG A 702 -1.512 6.696 9.948 1.00 0.00 C ATOM 261 C ARG A 702 -0.454 6.133 10.887 1.00 0.00 C ATOM 262 O ARG A 702 0.661 6.650 10.959 1.00 0.00 O ATOM 263 CB ARG A 702 -1.904 8.110 10.385 1.00 0.00 C ATOM 264 CG ARG A 702 -2.845 8.815 9.418 1.00 0.00 C ATOM 265 CD ARG A 702 -4.283 8.345 9.589 1.00 0.00 C ATOM 266 NE ARG A 702 -4.749 8.514 10.962 1.00 0.00 N ATOM 267 CZ ARG A 702 -5.707 7.778 11.513 1.00 0.00 C ATOM 268 NH1 ARG A 702 -6.307 6.829 10.808 1.00 0.00 N ATOM 269 NH2 ARG A 702 -6.067 7.991 12.770 1.00 0.00 N ATOM 0 H ARG A 702 -3.524 6.248 10.309 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.093 6.742 8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -2.378 8.059 11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.000 8.708 10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -2.792 9.892 9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -2.521 8.629 8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -4.931 8.904 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.358 7.295 9.306 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.313 9.240 11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -6.033 6.663 9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -7.043 6.265 11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -5.608 8.721 13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -6.803 7.425 13.193 1.00 0.00 H new ATOM 283 N ARG A 703 -0.813 5.076 11.611 1.00 0.00 N ATOM 284 CA ARG A 703 0.113 4.437 12.537 1.00 0.00 C ATOM 285 C ARG A 703 1.391 4.029 11.810 1.00 0.00 C ATOM 286 O ARG A 703 2.434 3.821 12.430 1.00 0.00 O ATOM 287 CB ARG A 703 -0.542 3.215 13.187 1.00 0.00 C ATOM 288 CG ARG A 703 0.330 2.537 14.232 1.00 0.00 C ATOM 289 CD ARG A 703 -0.440 1.475 14.999 1.00 0.00 C ATOM 290 NE ARG A 703 -0.998 0.454 14.115 1.00 0.00 N ATOM 291 CZ ARG A 703 -1.699 -0.591 14.544 1.00 0.00 C ATOM 292 NH1 ARG A 703 -1.927 -0.757 15.842 1.00 0.00 N ATOM 293 NH2 ARG A 703 -2.177 -1.472 13.676 1.00 0.00 N ATOM 0 H ARG A 703 -1.737 4.646 11.573 1.00 0.00 H new ATOM 0 HA ARG A 703 0.370 5.151 13.320 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -1.479 3.521 13.652 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -0.792 2.492 12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 703 1.193 2.082 13.747 1.00 0.00 H new ATOM 0 HG3 ARG A 703 0.712 3.284 14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 703 0.221 1.003 15.726 1.00 0.00 H new ATOM 0 HD3 ARG A 703 -1.246 1.947 15.561 1.00 0.00 H new ATOM 0 HE ARG A 703 -0.841 0.548 13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -1.564 -0.081 16.514 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -2.465 -1.560 16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 703 -2.007 -1.348 12.678 1.00 0.00 H new ATOM 0 HH22 ARG A 703 -2.715 -2.273 14.006 1.00 0.00 H new ATOM 307 N TYR A 704 1.299 3.922 10.486 1.00 0.00 N ATOM 308 CA TYR A 704 2.445 3.555 9.666 1.00 0.00 C ATOM 309 C TYR A 704 3.451 4.701 9.624 1.00 0.00 C ATOM 310 O TYR A 704 4.662 4.483 9.654 1.00 0.00 O ATOM 311 CB TYR A 704 1.988 3.223 8.243 1.00 0.00 C ATOM 312 CG TYR A 704 1.260 1.905 8.125 1.00 0.00 C ATOM 313 CD1 TYR A 704 1.834 0.736 8.604 1.00 0.00 C ATOM 314 CD2 TYR A 704 0.010 1.824 7.518 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.184 -0.475 8.489 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.643 0.618 7.396 1.00 0.00 C ATOM 317 CZ TYR A 704 -0.054 -0.531 7.884 1.00 0.00 C ATOM 318 OH TYR A 704 -0.703 -1.738 7.771 1.00 0.00 O ATOM 0 H TYR A 704 0.440 4.085 9.960 1.00 0.00 H new ATOM 0 HA TYR A 704 2.920 2.678 10.105 1.00 0.00 H new ATOM 0 HB2 TYR A 704 1.336 4.020 7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.858 3.206 7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 704 2.805 0.775 9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.455 2.721 7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 704 1.642 -1.375 8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.612 0.571 6.921 1.00 0.00 H new ATOM 0 HH TYR A 704 -1.622 -1.647 8.099 1.00 0.00 H new ATOM 328 N GLY A 705 2.925 5.922 9.561 1.00 0.00 N ATOM 329 CA GLY A 705 3.757 7.112 9.521 1.00 0.00 C ATOM 330 C GLY A 705 4.938 7.003 8.570 1.00 0.00 C ATOM 331 O GLY A 705 6.071 7.280 8.966 1.00 0.00 O ATOM 0 H GLY A 705 1.923 6.109 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 705 3.143 7.963 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 705 4.129 7.318 10.525 1.00 0.00 H new ATOM 335 N PRO A 706 4.713 6.602 7.304 1.00 0.00 N ATOM 336 CA PRO A 706 5.779 6.482 6.322 1.00 0.00 C ATOM 337 C PRO A 706 5.981 7.770 5.539 1.00 0.00 C ATOM 338 O PRO A 706 6.994 8.451 5.700 1.00 0.00 O ATOM 339 CB PRO A 706 5.275 5.365 5.413 1.00 0.00 C ATOM 340 CG PRO A 706 3.779 5.426 5.493 1.00 0.00 C ATOM 341 CD PRO A 706 3.415 6.225 6.727 1.00 0.00 C ATOM 0 HA PRO A 706 6.749 6.276 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.619 5.508 4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.646 4.394 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.367 5.894 4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.358 4.422 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 706 2.821 7.103 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.825 5.633 7.426 1.00 0.00 H new ATOM 349 N ALA A 707 5.012 8.101 4.691 1.00 0.00 N ATOM 350 CA ALA A 707 5.080 9.315 3.894 1.00 0.00 C ATOM 351 C ALA A 707 6.369 9.374 3.081 1.00 0.00 C ATOM 352 O ALA A 707 7.344 10.007 3.485 1.00 0.00 O ATOM 353 CB ALA A 707 4.965 10.525 4.803 1.00 0.00 C ATOM 0 H ALA A 707 4.171 7.543 4.540 1.00 0.00 H new ATOM 0 HA ALA A 707 4.249 9.314 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 707 5.016 11.435 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 707 4.014 10.492 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 707 5.783 10.518 5.524 1.00 0.00 H new ATOM 359 N LEU A 708 6.366 8.703 1.934 1.00 0.00 N ATOM 360 CA LEU A 708 7.531 8.677 1.059 1.00 0.00 C ATOM 361 C LEU A 708 7.114 8.754 -0.406 1.00 0.00 C ATOM 362 O LEU A 708 5.962 9.060 -0.719 1.00 0.00 O ATOM 363 CB LEU A 708 8.367 7.418 1.312 1.00 0.00 C ATOM 364 CG LEU A 708 7.572 6.131 1.552 1.00 0.00 C ATOM 365 CD1 LEU A 708 6.639 5.848 0.387 1.00 0.00 C ATOM 366 CD2 LEU A 708 8.515 4.960 1.768 1.00 0.00 C ATOM 0 H LEU A 708 5.568 8.169 1.589 1.00 0.00 H new ATOM 0 HA LEU A 708 8.142 9.551 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 708 9.025 7.263 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 708 9.006 7.596 2.177 1.00 0.00 H new ATOM 0 HG LEU A 708 6.968 6.265 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 708 6.085 4.929 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 708 5.940 6.676 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 708 7.222 5.735 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 708 7.935 4.053 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 708 9.142 4.831 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 708 9.145 5.155 2.636 1.00 0.00 H new ATOM 378 N SER A 709 8.056 8.474 -1.300 1.00 0.00 N ATOM 379 CA SER A 709 7.787 8.518 -2.730 1.00 0.00 C ATOM 380 C SER A 709 7.591 7.115 -3.302 1.00 0.00 C ATOM 381 O SER A 709 7.761 6.116 -2.603 1.00 0.00 O ATOM 382 CB SER A 709 8.927 9.231 -3.454 1.00 0.00 C ATOM 383 OG SER A 709 8.669 9.337 -4.842 1.00 0.00 O ATOM 0 H SER A 709 9.012 8.214 -1.058 1.00 0.00 H new ATOM 0 HA SER A 709 6.862 9.073 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.064 10.226 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 709 9.858 8.687 -3.296 1.00 0.00 H new ATOM 0 HG SER A 709 9.415 9.799 -5.279 1.00 0.00 H new ATOM 389 N ILE A 710 7.234 7.057 -4.580 1.00 0.00 N ATOM 390 CA ILE A 710 6.998 5.790 -5.266 1.00 0.00 C ATOM 391 C ILE A 710 8.279 4.981 -5.421 1.00 0.00 C ATOM 392 O ILE A 710 8.291 3.770 -5.208 1.00 0.00 O ATOM 393 CB ILE A 710 6.383 6.025 -6.661 1.00 0.00 C ATOM 394 CG1 ILE A 710 4.883 6.293 -6.552 1.00 0.00 C ATOM 395 CG2 ILE A 710 6.645 4.834 -7.573 1.00 0.00 C ATOM 396 CD1 ILE A 710 4.528 7.444 -5.638 1.00 0.00 C ATOM 0 H ILE A 710 7.100 7.880 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 710 6.301 5.226 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 710 6.859 6.903 -7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 710 4.488 6.498 -7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.389 5.391 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 710 6.203 5.021 -8.552 1.00 0.00 H new ATOM 0 HG22 ILE A 710 7.720 4.689 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.200 3.939 -7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.446 7.570 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 710 4.891 7.235 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 710 4.992 8.359 -6.008 1.00 0.00 H new ATOM 408 N ASN A 711 9.350 5.656 -5.814 1.00 0.00 N ATOM 409 CA ASN A 711 10.634 5.000 -6.011 1.00 0.00 C ATOM 410 C ASN A 711 11.037 4.195 -4.776 1.00 0.00 C ATOM 411 O ASN A 711 11.869 3.292 -4.852 1.00 0.00 O ATOM 412 CB ASN A 711 11.709 6.037 -6.345 1.00 0.00 C ATOM 413 CG ASN A 711 13.085 5.421 -6.506 1.00 0.00 C ATOM 414 OD1 ASN A 711 13.220 4.265 -6.907 1.00 0.00 O ATOM 415 ND2 ASN A 711 14.118 6.197 -6.198 1.00 0.00 N ATOM 0 H ASN A 711 9.355 6.658 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 711 10.538 4.307 -6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 711 11.437 6.553 -7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 711 11.742 6.788 -5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 711 15.069 5.840 -6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 711 13.960 7.150 -5.869 1.00 0.00 H new ATOM 422 N GLU A 712 10.432 4.528 -3.641 1.00 0.00 N ATOM 423 CA GLU A 712 10.726 3.846 -2.382 1.00 0.00 C ATOM 424 C GLU A 712 9.687 2.766 -2.104 1.00 0.00 C ATOM 425 O GLU A 712 9.947 1.805 -1.381 1.00 0.00 O ATOM 426 CB GLU A 712 10.746 4.852 -1.232 1.00 0.00 C ATOM 427 CG GLU A 712 11.074 6.267 -1.670 1.00 0.00 C ATOM 428 CD GLU A 712 12.499 6.408 -2.169 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.403 6.615 -1.332 1.00 0.00 O ATOM 430 OE2 GLU A 712 12.712 6.313 -3.396 1.00 0.00 O ATOM 0 H GLU A 712 9.733 5.267 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 712 11.706 3.377 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 712 9.773 4.849 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.478 4.531 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.385 6.568 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 712 10.917 6.948 -0.833 1.00 0.00 H new ATOM 437 N LEU A 713 8.504 2.953 -2.675 1.00 0.00 N ATOM 438 CA LEU A 713 7.397 2.014 -2.520 1.00 0.00 C ATOM 439 C LEU A 713 7.802 0.582 -2.867 1.00 0.00 C ATOM 440 O LEU A 713 7.308 -0.373 -2.268 1.00 0.00 O ATOM 441 CB LEU A 713 6.237 2.452 -3.418 1.00 0.00 C ATOM 442 CG LEU A 713 4.935 2.811 -2.700 1.00 0.00 C ATOM 443 CD1 LEU A 713 5.200 3.729 -1.525 1.00 0.00 C ATOM 444 CD2 LEU A 713 3.978 3.484 -3.663 1.00 0.00 C ATOM 0 H LEU A 713 8.283 3.760 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 713 7.095 2.023 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.559 3.316 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.029 1.651 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 713 4.489 1.889 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 713 4.258 3.969 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 713 5.864 3.232 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 713 5.669 4.647 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 713 3.054 3.735 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.434 4.394 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 713 3.756 2.807 -4.488 1.00 0.00 H new ATOM 456 N SER A 714 8.699 0.438 -3.835 1.00 0.00 N ATOM 457 CA SER A 714 9.154 -0.880 -4.270 1.00 0.00 C ATOM 458 C SER A 714 9.943 -1.598 -3.175 1.00 0.00 C ATOM 459 O SER A 714 10.176 -2.804 -3.260 1.00 0.00 O ATOM 460 CB SER A 714 10.006 -0.750 -5.532 1.00 0.00 C ATOM 461 OG SER A 714 11.137 0.073 -5.303 1.00 0.00 O ATOM 0 H SER A 714 9.127 1.217 -4.335 1.00 0.00 H new ATOM 0 HA SER A 714 8.271 -1.480 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 714 10.332 -1.738 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 714 9.405 -0.330 -6.339 1.00 0.00 H new ATOM 0 HG SER A 714 11.585 -0.209 -4.478 1.00 0.00 H new ATOM 467 N ASN A 715 10.355 -0.854 -2.154 1.00 0.00 N ATOM 468 CA ASN A 715 11.125 -1.427 -1.050 1.00 0.00 C ATOM 469 C ASN A 715 10.216 -1.872 0.094 1.00 0.00 C ATOM 470 O ASN A 715 10.692 -2.350 1.124 1.00 0.00 O ATOM 471 CB ASN A 715 12.149 -0.414 -0.532 1.00 0.00 C ATOM 472 CG ASN A 715 13.270 -0.150 -1.522 1.00 0.00 C ATOM 473 OD1 ASN A 715 12.947 -0.163 -2.810 1.00 0.00 O flip ATOM 474 ND2 ASN A 715 14.416 0.072 -1.131 1.00 0.00 N flip ATOM 0 H ASN A 715 10.170 0.145 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 715 11.646 -2.304 -1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 715 11.642 0.524 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 715 12.575 -0.780 0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 715 14.623 0.073 -0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 715 15.159 0.255 -1.806 1.00 0.00 H new ATOM 481 N LEU A 716 8.910 -1.714 -0.092 1.00 0.00 N ATOM 482 CA LEU A 716 7.936 -2.099 0.927 1.00 0.00 C ATOM 483 C LEU A 716 7.804 -3.614 1.026 1.00 0.00 C ATOM 484 O LEU A 716 8.162 -4.343 0.101 1.00 0.00 O ATOM 485 CB LEU A 716 6.576 -1.481 0.612 1.00 0.00 C ATOM 486 CG LEU A 716 6.493 0.030 0.827 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.364 0.628 0.007 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.300 0.341 2.303 1.00 0.00 C ATOM 0 H LEU A 716 8.500 -1.322 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 716 8.292 -1.726 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.325 -1.700 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 716 5.821 -1.964 1.232 1.00 0.00 H new ATOM 0 HG LEU A 716 7.430 0.478 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.323 1.704 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.539 0.432 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.418 0.177 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.242 1.420 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 716 5.377 -0.120 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.142 -0.054 2.871 1.00 0.00 H new ATOM 500 N ALA A 717 7.287 -4.078 2.160 1.00 0.00 N ATOM 501 CA ALA A 717 7.094 -5.504 2.388 1.00 0.00 C ATOM 502 C ALA A 717 5.669 -5.915 2.039 1.00 0.00 C ATOM 503 O ALA A 717 4.724 -5.159 2.260 1.00 0.00 O ATOM 504 CB ALA A 717 7.407 -5.852 3.835 1.00 0.00 C ATOM 0 H ALA A 717 6.994 -3.485 2.936 1.00 0.00 H new ATOM 0 HA ALA A 717 7.777 -6.053 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.259 -6.920 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.442 -5.593 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 717 6.744 -5.293 4.495 1.00 0.00 H new ATOM 510 N LYS A 718 5.518 -7.117 1.498 1.00 0.00 N ATOM 511 CA LYS A 718 4.203 -7.611 1.114 1.00 0.00 C ATOM 512 C LYS A 718 3.271 -7.709 2.316 1.00 0.00 C ATOM 513 O LYS A 718 3.718 -7.831 3.457 1.00 0.00 O ATOM 514 CB LYS A 718 4.317 -8.969 0.425 1.00 0.00 C ATOM 515 CG LYS A 718 3.923 -8.925 -1.040 1.00 0.00 C ATOM 516 CD LYS A 718 4.891 -8.083 -1.859 1.00 0.00 C ATOM 517 CE LYS A 718 4.427 -7.943 -3.300 1.00 0.00 C ATOM 518 NZ LYS A 718 5.362 -7.113 -4.109 1.00 0.00 N ATOM 0 H LYS A 718 6.285 -7.764 1.316 1.00 0.00 H new ATOM 0 HA LYS A 718 3.776 -6.894 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 718 5.343 -9.328 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 718 3.684 -9.688 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 718 3.895 -9.939 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 718 2.917 -8.517 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 718 4.986 -7.095 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 718 5.880 -8.540 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 718 4.338 -8.932 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 718 3.434 -7.494 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 5.009 -7.043 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 5.428 -6.161 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 6.304 -7.555 -4.113 1.00 0.00 H new ATOM 532 N GLY A 719 1.971 -7.650 2.043 1.00 0.00 N ATOM 533 CA GLY A 719 0.982 -7.722 3.103 1.00 0.00 C ATOM 534 C GLY A 719 0.919 -6.443 3.915 1.00 0.00 C ATOM 535 O GLY A 719 0.095 -6.315 4.821 1.00 0.00 O ATOM 0 H GLY A 719 1.584 -7.553 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 719 0.002 -7.924 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.218 -8.558 3.762 1.00 0.00 H new ATOM 539 N GLU A 720 1.792 -5.494 3.588 1.00 0.00 N ATOM 540 CA GLU A 720 1.842 -4.217 4.297 1.00 0.00 C ATOM 541 C GLU A 720 1.290 -3.080 3.445 1.00 0.00 C ATOM 542 O GLU A 720 1.024 -3.247 2.253 1.00 0.00 O ATOM 543 CB GLU A 720 3.279 -3.892 4.708 1.00 0.00 C ATOM 544 CG GLU A 720 3.845 -4.835 5.754 1.00 0.00 C ATOM 545 CD GLU A 720 2.978 -4.920 6.995 1.00 0.00 C ATOM 546 OE1 GLU A 720 3.055 -4.002 7.838 1.00 0.00 O ATOM 547 OE2 GLU A 720 2.221 -5.906 7.124 1.00 0.00 O ATOM 0 H GLU A 720 2.475 -5.585 2.836 1.00 0.00 H new ATOM 0 HA GLU A 720 1.219 -4.314 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 720 3.915 -3.921 3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.315 -2.873 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 720 3.951 -5.830 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 720 4.844 -4.502 6.036 1.00 0.00 H new ATOM 554 N LYS A 721 1.110 -1.924 4.077 1.00 0.00 N ATOM 555 CA LYS A 721 0.608 -0.739 3.393 1.00 0.00 C ATOM 556 C LYS A 721 1.631 0.385 3.464 1.00 0.00 C ATOM 557 O LYS A 721 2.710 0.213 4.032 1.00 0.00 O ATOM 558 CB LYS A 721 -0.703 -0.268 4.021 1.00 0.00 C ATOM 559 CG LYS A 721 -1.939 -0.931 3.441 1.00 0.00 C ATOM 560 CD LYS A 721 -2.899 -1.352 4.537 1.00 0.00 C ATOM 561 CE LYS A 721 -2.329 -2.500 5.357 1.00 0.00 C ATOM 562 NZ LYS A 721 -3.302 -3.000 6.367 1.00 0.00 N ATOM 0 H LYS A 721 1.306 -1.784 5.068 1.00 0.00 H new ATOM 0 HA LYS A 721 0.429 -1.002 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.670 -0.460 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.788 0.811 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -2.439 -0.242 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.647 -1.802 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -3.105 -0.503 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.849 -1.653 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -2.046 -3.315 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -1.421 -2.170 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.874 -3.781 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.553 -2.229 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -4.159 -3.339 5.885 1.00 0.00 H new ATOM 576 N ALA A 722 1.293 1.535 2.890 1.00 0.00 N ATOM 577 CA ALA A 722 2.205 2.682 2.915 1.00 0.00 C ATOM 578 C ALA A 722 1.519 3.945 2.429 1.00 0.00 C ATOM 579 O ALA A 722 1.013 3.989 1.311 1.00 0.00 O ATOM 580 CB ALA A 722 3.437 2.400 2.071 1.00 0.00 C ATOM 0 H ALA A 722 0.409 1.701 2.408 1.00 0.00 H new ATOM 0 HA ALA A 722 2.511 2.839 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.103 3.262 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 722 3.956 1.526 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.136 2.209 1.041 1.00 0.00 H new ATOM 586 N ASN A 723 1.571 4.989 3.251 1.00 0.00 N ATOM 587 CA ASN A 723 0.929 6.255 2.927 1.00 0.00 C ATOM 588 C ASN A 723 1.693 7.023 1.861 1.00 0.00 C ATOM 589 O ASN A 723 2.841 7.421 2.061 1.00 0.00 O ATOM 590 CB ASN A 723 0.778 7.119 4.185 1.00 0.00 C ATOM 591 CG ASN A 723 -0.116 6.490 5.242 1.00 0.00 C ATOM 592 OD1 ASN A 723 -0.009 5.177 5.418 1.00 0.00 O flip ATOM 593 ND2 ASN A 723 -0.887 7.183 5.906 1.00 0.00 N flip ATOM 0 H ASN A 723 2.054 4.981 4.150 1.00 0.00 H new ATOM 0 HA ASN A 723 -0.058 6.022 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.764 7.300 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.369 8.090 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -0.940 8.188 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 723 -1.473 6.752 6.621 1.00 0.00 H new ATOM 600 N VAL A 724 1.040 7.219 0.720 1.00 0.00 N ATOM 601 CA VAL A 724 1.628 7.955 -0.385 1.00 0.00 C ATOM 602 C VAL A 724 0.583 8.792 -1.102 1.00 0.00 C ATOM 603 O VAL A 724 -0.568 8.382 -1.247 1.00 0.00 O ATOM 604 CB VAL A 724 2.324 7.030 -1.398 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.643 6.545 -0.836 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.435 5.855 -1.767 1.00 0.00 C ATOM 0 H VAL A 724 0.097 6.874 0.540 1.00 0.00 H new ATOM 0 HA VAL A 724 2.382 8.611 0.050 1.00 0.00 H new ATOM 0 HB VAL A 724 2.516 7.599 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.128 5.891 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.287 7.400 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.465 5.995 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.953 5.218 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.203 5.279 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.510 6.224 -2.211 1.00 0.00 H new ATOM 616 N LEU A 725 0.993 9.969 -1.551 1.00 0.00 N ATOM 617 CA LEU A 725 0.092 10.875 -2.247 1.00 0.00 C ATOM 618 C LEU A 725 -0.218 10.358 -3.641 1.00 0.00 C ATOM 619 O LEU A 725 0.627 9.739 -4.288 1.00 0.00 O ATOM 620 CB LEU A 725 0.707 12.269 -2.357 1.00 0.00 C ATOM 621 CG LEU A 725 1.897 12.535 -1.438 1.00 0.00 C ATOM 622 CD1 LEU A 725 2.621 13.801 -1.865 1.00 0.00 C ATOM 623 CD2 LEU A 725 1.439 12.638 0.009 1.00 0.00 C ATOM 0 H LEU A 725 1.945 10.319 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.831 10.932 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.023 12.428 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 725 -0.067 13.007 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 725 2.592 11.699 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 725 3.467 13.978 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 725 2.980 13.687 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.936 14.647 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 725 2.300 12.828 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 725 0.726 13.456 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 725 0.963 11.704 0.307 1.00 0.00 H new ATOM 635 N ILE A 726 -1.434 10.615 -4.096 1.00 0.00 N ATOM 636 CA ILE A 726 -1.849 10.185 -5.422 1.00 0.00 C ATOM 637 C ILE A 726 -2.297 11.371 -6.262 1.00 0.00 C ATOM 638 O ILE A 726 -2.835 11.209 -7.359 1.00 0.00 O ATOM 639 CB ILE A 726 -2.982 9.154 -5.350 1.00 0.00 C ATOM 640 CG1 ILE A 726 -4.030 9.575 -4.318 1.00 0.00 C ATOM 641 CG2 ILE A 726 -2.420 7.779 -5.020 1.00 0.00 C ATOM 642 CD1 ILE A 726 -5.222 8.645 -4.257 1.00 0.00 C ATOM 0 H ILE A 726 -2.149 11.117 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.983 9.718 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 726 -3.470 9.103 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -3.563 9.619 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -4.376 10.582 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -3.234 7.055 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -1.714 7.479 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -1.910 7.816 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -5.925 9.003 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -5.713 8.619 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -4.888 7.642 -3.992 1.00 0.00 H new ATOM 654 N GLY A 727 -2.067 12.565 -5.732 1.00 0.00 N ATOM 655 CA GLY A 727 -2.439 13.781 -6.431 1.00 0.00 C ATOM 656 C GLY A 727 -1.672 14.991 -5.934 1.00 0.00 C ATOM 657 O GLY A 727 -0.508 15.184 -6.285 1.00 0.00 O ATOM 0 H GLY A 727 -1.626 12.714 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -2.259 13.653 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -3.508 13.956 -6.307 1.00 0.00 H new ATOM 661 N GLN A 728 -2.328 15.807 -5.115 1.00 0.00 N ATOM 662 CA GLN A 728 -1.706 17.007 -4.567 1.00 0.00 C ATOM 663 C GLN A 728 -2.436 17.464 -3.306 1.00 0.00 C ATOM 664 O GLN A 728 -2.567 18.662 -3.051 1.00 0.00 O ATOM 665 CB GLN A 728 -1.711 18.130 -5.606 1.00 0.00 C ATOM 666 CG GLN A 728 -3.100 18.481 -6.115 1.00 0.00 C ATOM 667 CD GLN A 728 -3.098 19.687 -7.035 1.00 0.00 C ATOM 668 OE1 GLN A 728 -2.950 19.556 -8.250 1.00 0.00 O ATOM 669 NE2 GLN A 728 -3.266 20.871 -6.459 1.00 0.00 N ATOM 0 H GLN A 728 -3.292 15.659 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 728 -0.675 16.768 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 728 -1.257 19.020 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 728 -1.087 17.836 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 728 -3.515 17.624 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 728 -3.755 18.678 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 728 -3.385 20.934 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 728 -3.276 21.718 -7.027 1.00 0.00 H new ATOM 678 N GLY A 729 -2.898 16.501 -2.518 1.00 0.00 N ATOM 679 CA GLY A 729 -3.615 16.820 -1.297 1.00 0.00 C ATOM 680 C GLY A 729 -4.377 15.631 -0.751 1.00 0.00 C ATOM 681 O GLY A 729 -5.161 15.764 0.190 1.00 0.00 O ATOM 0 H GLY A 729 -2.789 15.504 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -2.909 17.173 -0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -4.310 17.637 -1.489 1.00 0.00 H new ATOM 685 N ASP A 730 -4.146 14.463 -1.344 1.00 0.00 N ATOM 686 CA ASP A 730 -4.810 13.240 -0.914 1.00 0.00 C ATOM 687 C ASP A 730 -3.782 12.180 -0.538 1.00 0.00 C ATOM 688 O ASP A 730 -3.193 11.533 -1.409 1.00 0.00 O ATOM 689 CB ASP A 730 -5.729 12.714 -2.019 1.00 0.00 C ATOM 690 CG ASP A 730 -6.751 13.742 -2.460 1.00 0.00 C ATOM 691 OD1 ASP A 730 -7.823 13.826 -1.824 1.00 0.00 O ATOM 692 OD2 ASP A 730 -6.482 14.464 -3.444 1.00 0.00 O ATOM 0 H ASP A 730 -3.502 14.340 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 730 -5.414 13.468 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -5.127 12.414 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -6.245 11.822 -1.664 1.00 0.00 H new ATOM 697 N VAL A 731 -3.563 12.013 0.764 1.00 0.00 N ATOM 698 CA VAL A 731 -2.604 11.037 1.256 1.00 0.00 C ATOM 699 C VAL A 731 -3.288 9.727 1.625 1.00 0.00 C ATOM 700 O VAL A 731 -3.969 9.637 2.645 1.00 0.00 O ATOM 701 CB VAL A 731 -1.853 11.566 2.493 1.00 0.00 C ATOM 702 CG1 VAL A 731 -0.755 10.600 2.902 1.00 0.00 C ATOM 703 CG2 VAL A 731 -1.288 12.952 2.226 1.00 0.00 C ATOM 0 H VAL A 731 -4.038 12.543 1.495 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.894 10.860 0.448 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.560 11.645 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.235 10.990 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.193 9.631 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 731 -0.047 10.485 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.762 13.307 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 731 -0.595 12.907 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -2.102 13.637 1.988 1.00 0.00 H new ATOM 713 N VAL A 732 -3.090 8.711 0.793 1.00 0.00 N ATOM 714 CA VAL A 732 -3.675 7.395 1.034 1.00 0.00 C ATOM 715 C VAL A 732 -2.602 6.318 0.917 1.00 0.00 C ATOM 716 O VAL A 732 -1.651 6.467 0.152 1.00 0.00 O ATOM 717 CB VAL A 732 -4.811 7.086 0.037 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.877 8.168 0.090 1.00 0.00 C ATOM 719 CG2 VAL A 732 -4.264 6.940 -1.376 1.00 0.00 C ATOM 0 H VAL A 732 -2.528 8.772 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 732 -4.092 7.401 2.041 1.00 0.00 H new ATOM 0 HB VAL A 732 -5.268 6.139 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.670 7.933 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -6.294 8.219 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.433 9.129 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -5.082 6.722 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.777 7.868 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -3.541 6.125 -1.404 1.00 0.00 H new ATOM 729 N LEU A 733 -2.755 5.233 1.667 1.00 0.00 N ATOM 730 CA LEU A 733 -1.770 4.158 1.635 1.00 0.00 C ATOM 731 C LEU A 733 -2.114 3.111 0.583 1.00 0.00 C ATOM 732 O LEU A 733 -3.273 2.972 0.169 1.00 0.00 O ATOM 733 CB LEU A 733 -1.575 3.494 3.015 1.00 0.00 C ATOM 734 CG LEU A 733 -2.749 3.575 3.985 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.514 2.654 5.173 1.00 0.00 C ATOM 736 CD2 LEU A 733 -2.958 5.004 4.463 1.00 0.00 C ATOM 0 H LEU A 733 -3.541 5.075 2.297 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.823 4.623 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -1.337 2.442 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -0.707 3.949 3.492 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.649 3.254 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.359 2.721 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.412 1.627 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -1.603 2.953 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -3.801 5.037 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.059 5.353 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.165 5.647 3.608 1.00 0.00 H new ATOM 748 N VAL A 734 -1.086 2.392 0.136 1.00 0.00 N ATOM 749 CA VAL A 734 -1.260 1.362 -0.867 1.00 0.00 C ATOM 750 C VAL A 734 -1.107 -0.005 -0.247 1.00 0.00 C ATOM 751 O VAL A 734 -0.750 -0.117 0.924 1.00 0.00 O ATOM 752 CB VAL A 734 -0.271 1.501 -2.032 1.00 0.00 C ATOM 753 CG1 VAL A 734 -1.018 1.925 -3.277 1.00 0.00 C ATOM 754 CG2 VAL A 734 0.840 2.486 -1.697 1.00 0.00 C ATOM 0 H VAL A 734 -0.125 2.510 0.458 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.267 1.483 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 734 0.201 0.535 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.317 2.024 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.768 1.174 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.508 2.882 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.525 2.563 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.408 3.465 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.384 2.136 -0.820 1.00 0.00 H new ATOM 764 N MET A 735 -1.353 -1.035 -1.044 1.00 0.00 N ATOM 765 CA MET A 735 -1.275 -2.404 -0.564 1.00 0.00 C ATOM 766 C MET A 735 -0.476 -3.289 -1.512 1.00 0.00 C ATOM 767 O MET A 735 -0.684 -3.270 -2.723 1.00 0.00 O ATOM 768 CB MET A 735 -2.684 -2.951 -0.395 1.00 0.00 C ATOM 769 CG MET A 735 -2.995 -3.404 1.020 1.00 0.00 C ATOM 770 SD MET A 735 -3.069 -5.200 1.182 1.00 0.00 S ATOM 771 CE MET A 735 -1.378 -5.660 0.807 1.00 0.00 C ATOM 0 H MET A 735 -1.609 -0.947 -2.027 1.00 0.00 H new ATOM 0 HA MET A 735 -0.756 -2.406 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.400 -2.183 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 735 -2.822 -3.791 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.234 -3.014 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 735 -3.948 -2.977 1.332 1.00 0.00 H new ATOM 0 HE1 MET A 735 -1.154 -6.625 1.261 1.00 0.00 H new ATOM 0 HE2 MET A 735 -1.251 -5.729 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.699 -4.906 1.205 1.00 0.00 H new ATOM 781 N LYS A 736 0.432 -4.071 -0.942 1.00 0.00 N ATOM 782 CA LYS A 736 1.276 -4.973 -1.720 1.00 0.00 C ATOM 783 C LYS A 736 0.718 -6.397 -1.698 1.00 0.00 C ATOM 784 O LYS A 736 0.761 -7.064 -0.664 1.00 0.00 O ATOM 785 CB LYS A 736 2.693 -4.977 -1.144 1.00 0.00 C ATOM 786 CG LYS A 736 2.905 -3.924 -0.070 1.00 0.00 C ATOM 787 CD LYS A 736 3.218 -2.579 -0.680 1.00 0.00 C ATOM 788 CE LYS A 736 2.716 -1.444 0.190 1.00 0.00 C ATOM 789 NZ LYS A 736 3.343 -1.464 1.539 1.00 0.00 N ATOM 0 H LYS A 736 0.604 -4.099 0.063 1.00 0.00 H new ATOM 0 HA LYS A 736 1.294 -4.621 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 736 2.906 -5.961 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.407 -4.812 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.011 -3.847 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.721 -4.228 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 736 4.295 -2.483 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 736 2.762 -2.511 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 736 2.929 -0.492 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 736 1.633 -1.515 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 2.636 -1.751 2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 4.133 -2.140 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 3.699 -0.515 1.771 1.00 0.00 H new ATOM 803 N ARG A 737 0.202 -6.866 -2.835 1.00 0.00 N ATOM 804 CA ARG A 737 -0.356 -8.217 -2.912 1.00 0.00 C ATOM 805 C ARG A 737 0.656 -9.253 -2.455 1.00 0.00 C ATOM 806 O ARG A 737 1.756 -9.346 -2.998 1.00 0.00 O ATOM 807 CB ARG A 737 -0.818 -8.546 -4.332 1.00 0.00 C ATOM 808 CG ARG A 737 -2.317 -8.431 -4.529 1.00 0.00 C ATOM 809 CD ARG A 737 -3.075 -9.426 -3.671 1.00 0.00 C ATOM 810 NE ARG A 737 -2.731 -10.807 -3.996 1.00 0.00 N ATOM 811 CZ ARG A 737 -3.109 -11.854 -3.267 1.00 0.00 C ATOM 812 NH1 ARG A 737 -3.841 -11.677 -2.176 1.00 0.00 N ATOM 813 NH2 ARG A 737 -2.756 -13.080 -3.630 1.00 0.00 N ATOM 0 H ARG A 737 0.159 -6.337 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 737 -1.219 -8.247 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -0.316 -7.877 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.505 -9.560 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -2.639 -7.419 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -2.560 -8.597 -5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -2.858 -9.237 -2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -4.146 -9.278 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 737 -2.169 -10.979 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 737 -4.116 -10.736 -1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 737 -4.129 -12.482 -1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -2.194 -13.221 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 737 -3.047 -13.881 -3.070 1.00 0.00 H new ATOM 827 N LYS A 738 0.265 -10.036 -1.458 1.00 0.00 N ATOM 828 CA LYS A 738 1.125 -11.072 -0.910 1.00 0.00 C ATOM 829 C LYS A 738 1.616 -12.017 -2.003 1.00 0.00 C ATOM 830 O LYS A 738 2.644 -12.677 -1.843 1.00 0.00 O ATOM 831 CB LYS A 738 0.376 -11.853 0.169 1.00 0.00 C ATOM 832 CG LYS A 738 -0.942 -12.442 -0.310 1.00 0.00 C ATOM 833 CD LYS A 738 -1.859 -12.787 0.854 1.00 0.00 C ATOM 834 CE LYS A 738 -1.222 -13.797 1.795 1.00 0.00 C ATOM 835 NZ LYS A 738 -0.874 -15.065 1.096 1.00 0.00 N ATOM 0 H LYS A 738 -0.649 -9.971 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 738 1.997 -10.593 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 738 1.014 -12.659 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 738 0.183 -11.194 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -1.441 -11.731 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -0.748 -13.339 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 738 -2.103 -11.879 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 738 -2.797 -13.189 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 738 -0.322 -13.366 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 738 -1.907 -14.011 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 -0.602 -15.784 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 -1.697 -15.401 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 -0.080 -14.896 0.446 1.00 0.00 H new ATOM 849 N ARG A 739 0.883 -12.078 -3.114 1.00 0.00 N ATOM 850 CA ARG A 739 1.258 -12.947 -4.224 1.00 0.00 C ATOM 851 C ARG A 739 0.369 -12.708 -5.444 1.00 0.00 C ATOM 852 O ARG A 739 -0.678 -12.070 -5.346 1.00 0.00 O ATOM 853 CB ARG A 739 1.171 -14.414 -3.794 1.00 0.00 C ATOM 854 CG ARG A 739 1.849 -15.382 -4.754 1.00 0.00 C ATOM 855 CD ARG A 739 3.351 -15.143 -4.817 1.00 0.00 C ATOM 856 NE ARG A 739 4.010 -16.031 -5.770 1.00 0.00 N ATOM 857 CZ ARG A 739 5.284 -15.909 -6.130 1.00 0.00 C ATOM 858 NH1 ARG A 739 6.031 -14.937 -5.622 1.00 0.00 N ATOM 859 NH2 ARG A 739 5.812 -16.757 -7.003 1.00 0.00 N ATOM 0 H ARG A 739 0.031 -11.539 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 739 2.285 -12.711 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 739 1.623 -14.520 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 739 0.122 -14.691 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 739 1.655 -16.407 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 739 1.419 -15.270 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 739 3.541 -14.107 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 739 3.783 -15.290 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 739 3.463 -16.787 -6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 739 5.628 -14.281 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 739 7.008 -14.846 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 739 5.240 -17.503 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 739 6.790 -16.663 -7.279 1.00 0.00 H new ATOM 873 N ASP A 740 0.806 -13.222 -6.594 1.00 0.00 N ATOM 874 CA ASP A 740 0.063 -13.084 -7.844 1.00 0.00 C ATOM 875 C ASP A 740 -0.086 -11.619 -8.246 1.00 0.00 C ATOM 876 O ASP A 740 0.388 -10.721 -7.549 1.00 0.00 O ATOM 877 CB ASP A 740 -1.318 -13.734 -7.721 1.00 0.00 C ATOM 878 CG ASP A 740 -1.235 -15.218 -7.423 1.00 0.00 C ATOM 879 OD1 ASP A 740 -1.112 -16.011 -8.381 1.00 0.00 O ATOM 880 OD2 ASP A 740 -1.293 -15.588 -6.231 1.00 0.00 O ATOM 0 H ASP A 740 1.679 -13.742 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 740 0.631 -13.594 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 740 -1.880 -13.238 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 740 -1.871 -13.583 -8.648 1.00 0.00 H new ATOM 885 N SER A 741 -0.747 -11.394 -9.380 1.00 0.00 N ATOM 886 CA SER A 741 -0.972 -10.046 -9.895 1.00 0.00 C ATOM 887 C SER A 741 0.347 -9.352 -10.226 1.00 0.00 C ATOM 888 O SER A 741 1.086 -8.938 -9.332 1.00 0.00 O ATOM 889 CB SER A 741 -1.765 -9.214 -8.886 1.00 0.00 C ATOM 890 OG SER A 741 -2.990 -9.844 -8.554 1.00 0.00 O ATOM 0 H SER A 741 -1.138 -12.134 -9.963 1.00 0.00 H new ATOM 0 HA SER A 741 -1.550 -10.133 -10.815 1.00 0.00 H new ATOM 0 HB2 SER A 741 -1.171 -9.069 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 741 -1.962 -8.225 -9.300 1.00 0.00 H new ATOM 0 HG SER A 741 -3.477 -9.292 -7.906 1.00 0.00 H new ATOM 896 N SER A 742 0.635 -9.228 -11.519 1.00 0.00 N ATOM 897 CA SER A 742 1.863 -8.584 -11.973 1.00 0.00 C ATOM 898 C SER A 742 1.852 -7.095 -11.646 1.00 0.00 C ATOM 899 O SER A 742 2.706 -6.607 -10.904 1.00 0.00 O ATOM 900 CB SER A 742 2.042 -8.786 -13.478 1.00 0.00 C ATOM 901 OG SER A 742 3.236 -8.176 -13.936 1.00 0.00 O ATOM 0 H SER A 742 0.034 -9.565 -12.271 1.00 0.00 H new ATOM 0 HA SER A 742 2.700 -9.045 -11.448 1.00 0.00 H new ATOM 0 HB2 SER A 742 2.064 -9.852 -13.705 1.00 0.00 H new ATOM 0 HB3 SER A 742 1.188 -8.365 -14.009 1.00 0.00 H new ATOM 0 HG SER A 742 3.328 -8.321 -14.901 1.00 0.00 H new ATOM 907 N ILE A 743 0.883 -6.375 -12.203 1.00 0.00 N ATOM 908 CA ILE A 743 0.764 -4.940 -11.965 1.00 0.00 C ATOM 909 C ILE A 743 -0.236 -4.659 -10.864 1.00 0.00 C ATOM 910 O ILE A 743 -0.389 -3.523 -10.415 1.00 0.00 O ATOM 911 CB ILE A 743 0.341 -4.183 -13.241 1.00 0.00 C ATOM 912 CG1 ILE A 743 -1.152 -4.387 -13.526 1.00 0.00 C ATOM 913 CG2 ILE A 743 1.170 -4.660 -14.420 1.00 0.00 C ATOM 914 CD1 ILE A 743 -1.729 -3.373 -14.490 1.00 0.00 C ATOM 0 H ILE A 743 0.170 -6.761 -12.822 1.00 0.00 H new ATOM 0 HA ILE A 743 1.749 -4.586 -11.662 1.00 0.00 H new ATOM 0 HB ILE A 743 0.515 -3.118 -13.087 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -1.303 -5.388 -13.931 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -1.703 -4.337 -12.587 1.00 0.00 H new ATOM 0 HG21 ILE A 743 0.867 -4.122 -15.319 1.00 0.00 H new ATOM 0 HG22 ILE A 743 2.225 -4.472 -14.223 1.00 0.00 H new ATOM 0 HG23 ILE A 743 1.013 -5.729 -14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -2.788 -3.579 -14.644 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -1.611 -2.371 -14.078 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -1.204 -3.438 -15.443 1.00 0.00 H new ATOM 926 N LEU A 744 -0.919 -5.706 -10.450 1.00 0.00 N ATOM 927 CA LEU A 744 -1.912 -5.608 -9.398 1.00 0.00 C ATOM 928 C LEU A 744 -3.037 -4.656 -9.788 1.00 0.00 C ATOM 929 O LEU A 744 -3.005 -3.470 -9.454 1.00 0.00 O ATOM 930 CB LEU A 744 -1.264 -5.152 -8.088 1.00 0.00 C ATOM 931 CG LEU A 744 -1.646 -5.976 -6.860 1.00 0.00 C ATOM 932 CD1 LEU A 744 -1.048 -5.374 -5.596 1.00 0.00 C ATOM 933 CD2 LEU A 744 -3.160 -6.084 -6.741 1.00 0.00 C ATOM 0 H LEU A 744 -0.803 -6.645 -10.831 1.00 0.00 H new ATOM 0 HA LEU A 744 -2.341 -6.599 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -0.181 -5.183 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -1.536 -4.112 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 744 -1.238 -6.979 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -1.334 -5.978 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 744 0.039 -5.355 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -1.420 -4.358 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -3.415 -6.674 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -3.590 -5.087 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -3.561 -6.568 -7.631 1.00 0.00 H new ATOM 945 N THR A 745 -4.026 -5.179 -10.505 1.00 0.00 N ATOM 946 CA THR A 745 -5.165 -4.376 -10.932 1.00 0.00 C ATOM 947 C THR A 745 -5.981 -3.925 -9.728 1.00 0.00 C ATOM 948 O THR A 745 -6.013 -4.604 -8.702 1.00 0.00 O ATOM 949 CB THR A 745 -6.077 -5.155 -11.895 1.00 0.00 C ATOM 950 OG1 THR A 745 -6.567 -6.341 -11.258 1.00 0.00 O ATOM 951 CG2 THR A 745 -5.328 -5.529 -13.164 1.00 0.00 C ATOM 0 H THR A 745 -4.061 -6.154 -10.802 1.00 0.00 H new ATOM 0 HA THR A 745 -4.768 -3.506 -11.455 1.00 0.00 H new ATOM 0 HB THR A 745 -6.917 -4.514 -12.162 1.00 0.00 H new ATOM 0 HG1 THR A 745 -7.148 -6.829 -11.878 1.00 0.00 H new ATOM 0 HG21 THR A 745 -5.993 -6.079 -13.830 1.00 0.00 H new ATOM 0 HG22 THR A 745 -4.983 -4.624 -13.663 1.00 0.00 H new ATOM 0 HG23 THR A 745 -4.471 -6.153 -12.910 1.00 0.00 H new ATOM 959 N ASP A 746 -6.642 -2.780 -9.856 1.00 0.00 N ATOM 960 CA ASP A 746 -7.446 -2.248 -8.765 1.00 0.00 C ATOM 961 C ASP A 746 -8.387 -1.151 -9.248 1.00 0.00 C ATOM 962 O ASP A 746 -8.207 -0.593 -10.330 1.00 0.00 O ATOM 963 CB ASP A 746 -6.536 -1.702 -7.665 1.00 0.00 C ATOM 964 CG ASP A 746 -7.314 -1.174 -6.475 1.00 0.00 C ATOM 965 OD1 ASP A 746 -7.743 -1.992 -5.634 1.00 0.00 O ATOM 966 OD2 ASP A 746 -7.499 0.058 -6.387 1.00 0.00 O ATOM 0 H ASP A 746 -6.637 -2.206 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 746 -8.052 -3.062 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -5.861 -2.490 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.917 -0.903 -8.073 1.00 0.00 H new ATOM 971 N SER A 747 -9.391 -0.850 -8.432 1.00 0.00 N ATOM 972 CA SER A 747 -10.360 0.187 -8.755 1.00 0.00 C ATOM 973 C SER A 747 -10.316 1.297 -7.708 1.00 0.00 C ATOM 974 O SER A 747 -10.348 1.029 -6.508 1.00 0.00 O ATOM 975 CB SER A 747 -11.768 -0.404 -8.836 1.00 0.00 C ATOM 976 OG SER A 747 -12.704 0.567 -9.268 1.00 0.00 O ATOM 0 H SER A 747 -9.554 -1.313 -7.538 1.00 0.00 H new ATOM 0 HA SER A 747 -10.103 0.609 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 747 -11.772 -1.249 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 747 -12.062 -0.787 -7.859 1.00 0.00 H new ATOM 0 HG SER A 747 -13.559 0.131 -9.467 1.00 0.00 H new ATOM 982 N GLN A 748 -10.240 2.541 -8.171 1.00 0.00 N ATOM 983 CA GLN A 748 -10.179 3.689 -7.272 1.00 0.00 C ATOM 984 C GLN A 748 -11.556 4.033 -6.716 1.00 0.00 C ATOM 985 O GLN A 748 -11.751 5.106 -6.144 1.00 0.00 O ATOM 986 CB GLN A 748 -9.598 4.902 -8.002 1.00 0.00 C ATOM 987 CG GLN A 748 -10.388 5.304 -9.237 1.00 0.00 C ATOM 988 CD GLN A 748 -9.895 6.603 -9.844 1.00 0.00 C ATOM 989 OE1 GLN A 748 -8.944 6.505 -10.764 1.00 0.00 O flip ATOM 990 NE2 GLN A 748 -10.366 7.685 -9.489 1.00 0.00 N flip ATOM 0 H GLN A 748 -10.219 2.780 -9.162 1.00 0.00 H new ATOM 0 HA GLN A 748 -9.531 3.423 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.561 5.746 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -8.571 4.683 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -10.321 4.510 -9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -11.441 5.406 -8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -11.097 7.714 -8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -10.025 8.551 -9.906 1.00 0.00 H new ATOM 999 N THR A 749 -12.509 3.122 -6.881 1.00 0.00 N ATOM 1000 CA THR A 749 -13.862 3.347 -6.390 1.00 0.00 C ATOM 1001 C THR A 749 -13.948 3.105 -4.889 1.00 0.00 C ATOM 1002 O THR A 749 -14.705 3.774 -4.183 1.00 0.00 O ATOM 1003 CB THR A 749 -14.885 2.446 -7.110 1.00 0.00 C ATOM 1004 OG1 THR A 749 -16.208 2.736 -6.642 1.00 0.00 O ATOM 1005 CG2 THR A 749 -14.574 0.974 -6.877 1.00 0.00 C ATOM 0 H THR A 749 -12.370 2.226 -7.348 1.00 0.00 H new ATOM 0 HA THR A 749 -14.104 4.389 -6.601 1.00 0.00 H new ATOM 0 HB THR A 749 -14.822 2.649 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 749 -16.852 2.161 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 749 -15.310 0.360 -7.396 1.00 0.00 H new ATOM 0 HG22 THR A 749 -13.579 0.747 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.610 0.759 -5.809 1.00 0.00 H new ATOM 1013 N ALA A 750 -13.168 2.145 -4.405 1.00 0.00 N ATOM 1014 CA ALA A 750 -13.150 1.818 -2.986 1.00 0.00 C ATOM 1015 C ALA A 750 -12.097 2.644 -2.258 1.00 0.00 C ATOM 1016 O ALA A 750 -10.942 2.235 -2.144 1.00 0.00 O ATOM 1017 CB ALA A 750 -12.894 0.330 -2.790 1.00 0.00 C ATOM 0 H ALA A 750 -12.540 1.580 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 750 -14.125 2.060 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -12.883 0.100 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -13.684 -0.242 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -11.932 0.066 -3.228 1.00 0.00 H new ATOM 1023 N THR A 751 -12.502 3.814 -1.773 1.00 0.00 N ATOM 1024 CA THR A 751 -11.591 4.701 -1.064 1.00 0.00 C ATOM 1025 C THR A 751 -11.578 4.403 0.432 1.00 0.00 C ATOM 1026 O THR A 751 -10.598 4.687 1.116 1.00 0.00 O ATOM 1027 CB THR A 751 -11.960 6.182 -1.287 1.00 0.00 C ATOM 1028 OG1 THR A 751 -12.025 6.464 -2.690 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.943 7.104 -0.631 1.00 0.00 C ATOM 0 H THR A 751 -13.455 4.168 -1.859 1.00 0.00 H new ATOM 0 HA THR A 751 -10.596 4.520 -1.470 1.00 0.00 H new ATOM 0 HB THR A 751 -12.934 6.360 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 751 -12.261 7.406 -2.824 1.00 0.00 H new ATOM 0 HG21 THR A 751 -11.228 8.142 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 751 -10.914 6.910 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.957 6.922 -1.059 1.00 0.00 H new ATOM 1037 N LYS A 752 -12.672 3.846 0.943 1.00 0.00 N ATOM 1038 CA LYS A 752 -12.744 3.498 2.358 1.00 0.00 C ATOM 1039 C LYS A 752 -11.581 2.574 2.701 1.00 0.00 C ATOM 1040 O LYS A 752 -11.017 2.634 3.793 1.00 0.00 O ATOM 1041 CB LYS A 752 -14.080 2.822 2.677 1.00 0.00 C ATOM 1042 CG LYS A 752 -15.289 3.679 2.334 1.00 0.00 C ATOM 1043 CD LYS A 752 -16.591 2.939 2.602 1.00 0.00 C ATOM 1044 CE LYS A 752 -17.799 3.798 2.265 1.00 0.00 C ATOM 1045 NZ LYS A 752 -17.813 4.202 0.831 1.00 0.00 N ATOM 0 H LYS A 752 -13.511 3.628 0.406 1.00 0.00 H new ATOM 0 HA LYS A 752 -12.676 4.405 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -14.143 1.882 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -14.109 2.574 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -15.264 4.597 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -15.244 3.970 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -16.618 2.023 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -16.634 2.644 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -18.711 3.248 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -17.797 4.689 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -18.751 4.577 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -17.094 4.936 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -17.603 3.376 0.235 1.00 0.00 H new ATOM 1059 N ARG A 753 -11.236 1.736 1.726 1.00 0.00 N ATOM 1060 CA ARG A 753 -10.134 0.781 1.827 1.00 0.00 C ATOM 1061 C ARG A 753 -10.136 -0.118 0.595 1.00 0.00 C ATOM 1062 O ARG A 753 -11.084 -0.096 -0.190 1.00 0.00 O ATOM 1063 CB ARG A 753 -10.216 -0.061 3.103 1.00 0.00 C ATOM 1064 CG ARG A 753 -9.205 0.352 4.168 1.00 0.00 C ATOM 1065 CD ARG A 753 -8.977 -0.759 5.182 1.00 0.00 C ATOM 1066 NE ARG A 753 -8.270 -1.895 4.597 1.00 0.00 N ATOM 1067 CZ ARG A 753 -7.973 -3.006 5.266 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -8.333 -3.137 6.537 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -7.320 -3.990 4.664 1.00 0.00 N ATOM 0 H ARG A 753 -11.721 1.701 0.830 1.00 0.00 H new ATOM 0 HA ARG A 753 -9.201 1.342 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -11.221 0.017 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -10.057 -1.109 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -8.259 0.611 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.560 1.246 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -8.404 -0.370 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -9.937 -1.093 5.576 1.00 0.00 H new ATOM 0 HE ARG A 753 -7.988 -1.833 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -8.839 -2.384 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -8.104 -3.990 7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -7.044 -3.896 3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -7.093 -4.841 5.178 1.00 0.00 H new ATOM 1083 N ILE A 754 -9.079 -0.903 0.423 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.972 -1.788 -0.733 1.00 0.00 C ATOM 1085 C ILE A 754 -10.147 -2.755 -0.815 1.00 0.00 C ATOM 1086 O ILE A 754 -10.882 -2.945 0.155 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.662 -2.593 -0.714 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.505 -3.324 0.622 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.481 -1.674 -0.975 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -6.323 -4.266 0.663 1.00 0.00 C ATOM 0 H ILE A 754 -8.287 -0.946 1.065 1.00 0.00 H new ATOM 0 HA ILE A 754 -8.981 -1.142 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.694 -3.342 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -7.400 -2.588 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -8.415 -3.888 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.558 -2.254 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.596 -1.202 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.440 -0.906 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -6.275 -4.748 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.436 -5.025 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -5.405 -3.705 0.490 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.313 -3.361 -1.985 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.396 -4.310 -2.214 1.00 0.00 C ATOM 1104 C ARG A 755 -10.904 -5.749 -2.098 1.00 0.00 C ATOM 1105 O ARG A 755 -11.680 -6.693 -2.249 1.00 0.00 O ATOM 1106 CB ARG A 755 -12.023 -4.072 -3.592 1.00 0.00 C ATOM 1107 CG ARG A 755 -11.012 -3.771 -4.692 1.00 0.00 C ATOM 1108 CD ARG A 755 -10.203 -5.002 -5.073 1.00 0.00 C ATOM 1109 NE ARG A 755 -9.487 -4.819 -6.333 1.00 0.00 N ATOM 1110 CZ ARG A 755 -9.542 -5.682 -7.345 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -10.275 -6.783 -7.246 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -8.863 -5.443 -8.458 1.00 0.00 N ATOM 0 H ARG A 755 -9.709 -3.211 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 755 -12.153 -4.152 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.599 -4.953 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -12.725 -3.241 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -11.534 -3.394 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.337 -2.982 -4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -9.490 -5.226 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -10.868 -5.861 -5.156 1.00 0.00 H new ATOM 0 HE ARG A 755 -8.913 -3.983 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -10.800 -6.971 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -10.314 -7.441 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -8.298 -4.598 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -8.905 -6.105 -9.233 1.00 0.00 H new ATOM 1126 N MET A 756 -9.611 -5.911 -1.831 1.00 0.00 N ATOM 1127 CA MET A 756 -9.019 -7.238 -1.695 1.00 0.00 C ATOM 1128 C MET A 756 -8.001 -7.267 -0.559 1.00 0.00 C ATOM 1129 O MET A 756 -6.804 -7.083 -0.782 1.00 0.00 O ATOM 1130 CB MET A 756 -8.354 -7.660 -3.008 1.00 0.00 C ATOM 1131 CG MET A 756 -7.770 -9.064 -2.971 1.00 0.00 C ATOM 1132 SD MET A 756 -7.034 -9.552 -4.543 1.00 0.00 S ATOM 1133 CE MET A 756 -8.468 -9.518 -5.616 1.00 0.00 C ATOM 0 H MET A 756 -8.954 -5.141 -1.705 1.00 0.00 H new ATOM 0 HA MET A 756 -9.817 -7.942 -1.459 1.00 0.00 H new ATOM 0 HB2 MET A 756 -9.087 -7.602 -3.812 1.00 0.00 H new ATOM 0 HB3 MET A 756 -7.561 -6.952 -3.248 1.00 0.00 H new ATOM 0 HG2 MET A 756 -7.014 -9.118 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 756 -8.555 -9.773 -2.706 1.00 0.00 H new ATOM 0 HE1 MET A 756 -8.361 -10.277 -6.391 1.00 0.00 H new ATOM 0 HE2 MET A 756 -9.365 -9.721 -5.031 1.00 0.00 H new ATOM 0 HE3 MET A 756 -8.552 -8.535 -6.080 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.484 -7.496 0.659 1.00 0.00 N ATOM 1144 CA ALA A 757 -7.616 -7.548 1.830 1.00 0.00 C ATOM 1145 C ALA A 757 -6.626 -8.704 1.729 1.00 0.00 C ATOM 1146 O ALA A 757 -6.745 -9.559 0.851 1.00 0.00 O ATOM 1147 CB ALA A 757 -8.446 -7.672 3.098 1.00 0.00 C ATOM 0 H ALA A 757 -9.472 -7.648 0.860 1.00 0.00 H new ATOM 0 HA ALA A 757 -7.047 -6.619 1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -7.785 -7.710 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -9.109 -6.811 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -9.041 -8.585 3.056 1.00 0.00 H new ATOM 1153 N ILE A 758 -5.653 -8.722 2.633 1.00 0.00 N ATOM 1154 CA ILE A 758 -4.642 -9.773 2.646 1.00 0.00 C ATOM 1155 C ILE A 758 -5.253 -11.120 3.026 1.00 0.00 C ATOM 1156 O ILE A 758 -6.404 -11.187 3.457 1.00 0.00 O ATOM 1157 CB ILE A 758 -3.497 -9.443 3.624 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -4.038 -9.282 5.047 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.772 -8.180 3.182 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -2.957 -9.156 6.098 1.00 0.00 C ATOM 0 H ILE A 758 -5.543 -8.021 3.366 1.00 0.00 H new ATOM 0 HA ILE A 758 -4.237 -9.834 1.636 1.00 0.00 H new ATOM 0 HB ILE A 758 -2.786 -10.270 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -4.675 -8.399 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -4.667 -10.139 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -1.966 -7.959 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -2.356 -8.329 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -3.474 -7.346 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.416 -9.045 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -2.333 -10.050 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.342 -8.282 5.884 1.00 0.00 H new ATOM 1172 N ASN A 759 -4.472 -12.185 2.861 1.00 0.00 N ATOM 1173 CA ASN A 759 -4.928 -13.534 3.184 1.00 0.00 C ATOM 1174 C ASN A 759 -6.206 -13.877 2.423 1.00 0.00 C ATOM 1175 O ASN A 759 -6.099 -14.351 1.273 1.00 0.00 O ATOM 1176 CB ASN A 759 -5.163 -13.671 4.691 1.00 0.00 C ATOM 1177 CG ASN A 759 -3.923 -13.352 5.507 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -2.751 -13.632 4.947 1.00 0.00 O flip ATOM 1179 ND2 ASN A 759 -4.019 -12.862 6.631 1.00 0.00 N flip ATOM 1180 OXT ASN A 759 -7.304 -13.671 2.985 1.00 0.00 O ATOM 0 H ASN A 759 -3.517 -12.139 2.504 1.00 0.00 H new ATOM 0 HA ASN A 759 -4.149 -14.234 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -5.972 -13.005 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -5.488 -14.687 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -4.939 -12.663 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -3.179 -12.655 7.171 1.00 0.00 H new TER 1187 ASN A 759