USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 547 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 735 LYS NZ :NH3+ 163:sc= 2.28 (180deg=0.635) USER MOD Set 1.2: A 771 THR OG1 : rot -170:sc= 0.532 USER MOD Single : A 726 SER OG : rot 130:sc= 1.25 USER MOD Single : A 728 SER OG : rot 180:sc= 0 USER MOD Single : A 731 GLN :FLIP amide:sc= -8.5! C(o=-12!,f=-8.5!) USER MOD Single : A 737 ASN :FLIP amide:sc= -7.09! C(o=-13!,f=-7.1!) USER MOD Single : A 743 GLN :FLIP amide:sc= -0.963 F(o=-2.1!,f=-0.96) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -113:sc= 0.454 (180deg=-1.74!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 760 THR OG1 : rot 64:sc= 1.11 USER MOD Single : A 761 LYS NZ :NH3+ -177:sc= -0.0181 (180deg=-0.0287) 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= -1.99 F(o=-4.1!,f=-2) USER MOD Single : A 773 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0.035) USER MOD Single : A 775 HIS : no HE2:sc= -0.384 K(o=-0.38,f=-1.7) USER MOD Single : A 776 GLN : amide:sc= -0.9 K(o=-0.9,f=-3.7!) USER MOD Single : A 777 GLN :FLIP amide:sc= -1.3 F(o=-4.6!,f=-1.3) USER MOD Single : A 778 MET CE :methyl 164:sc= -0.147 (180deg=-0.642) USER MOD Single : A 784 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.04) USER MOD Single : A 793 HIS : no HD1:sc= -0.567 K(o=-0.57,f=-1.1) USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 724 -14.195 13.603 -2.289 1.00 0.00 N ATOM 2 CA ASP A 724 -14.880 14.581 -1.421 1.00 0.00 C ATOM 3 C ASP A 724 -14.767 14.204 0.054 1.00 0.00 C ATOM 4 O ASP A 724 -14.537 15.065 0.918 1.00 0.00 O ATOM 5 CB ASP A 724 -16.358 14.743 -1.825 1.00 0.00 C ATOM 6 CG ASP A 724 -17.126 15.588 -0.881 1.00 0.00 C ATOM 7 OD1 ASP A 724 -16.902 16.801 -0.842 1.00 0.00 O ATOM 8 OD2 ASP A 724 -17.980 15.050 -0.180 1.00 0.00 O ATOM 0 HA ASP A 724 -14.378 15.539 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -16.411 15.181 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -16.823 13.759 -1.884 1.00 0.00 H new ATOM 12 N ILE A 725 -14.998 12.952 0.360 1.00 0.00 N ATOM 13 CA ILE A 725 -14.967 12.495 1.734 1.00 0.00 C ATOM 14 C ILE A 725 -13.530 12.437 2.296 1.00 0.00 C ATOM 15 O ILE A 725 -13.293 12.803 3.448 1.00 0.00 O ATOM 16 CB ILE A 725 -15.690 11.126 1.892 1.00 0.00 C ATOM 17 CG1 ILE A 725 -17.071 11.193 1.231 1.00 0.00 C ATOM 18 CG2 ILE A 725 -15.863 10.781 3.371 1.00 0.00 C ATOM 19 CD1 ILE A 725 -17.861 9.915 1.341 1.00 0.00 C ATOM 0 H ILE A 725 -15.211 12.226 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 725 -15.511 13.231 2.325 1.00 0.00 H new ATOM 0 HB ILE A 725 -15.084 10.357 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 725 -17.642 12.002 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 725 -16.947 11.443 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 725 -16.370 9.821 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 725 -14.885 10.722 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 725 -16.458 11.554 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 725 -18.826 10.040 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 725 -17.312 9.105 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 725 -18.018 9.673 2.392 1.00 0.00 H new ATOM 31 N SER A 726 -12.589 11.945 1.508 1.00 0.00 N ATOM 32 CA SER A 726 -11.231 11.799 2.004 1.00 0.00 C ATOM 33 C SER A 726 -10.230 12.813 1.431 1.00 0.00 C ATOM 34 O SER A 726 -9.934 13.821 2.093 1.00 0.00 O ATOM 35 CB SER A 726 -10.731 10.366 1.834 1.00 0.00 C ATOM 36 OG SER A 726 -11.539 9.460 2.571 1.00 0.00 O ATOM 0 H SER A 726 -12.734 11.646 0.544 1.00 0.00 H new ATOM 0 HA SER A 726 -11.289 12.028 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 726 -10.742 10.095 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 726 -9.697 10.294 2.170 1.00 0.00 H new ATOM 0 HG SER A 726 -11.818 8.722 1.989 1.00 0.00 H new ATOM 42 N GLU A 727 -9.608 12.467 0.283 1.00 0.00 N ATOM 43 CA GLU A 727 -8.498 13.236 -0.335 1.00 0.00 C ATOM 44 C GLU A 727 -7.235 13.141 0.513 1.00 0.00 C ATOM 45 O GLU A 727 -6.383 12.297 0.272 1.00 0.00 O ATOM 46 CB GLU A 727 -8.831 14.725 -0.655 1.00 0.00 C ATOM 47 CG GLU A 727 -9.817 14.961 -1.798 1.00 0.00 C ATOM 48 CD GLU A 727 -11.200 14.534 -1.489 1.00 0.00 C ATOM 49 OE1 GLU A 727 -11.946 15.336 -0.907 1.00 0.00 O ATOM 50 OE2 GLU A 727 -11.561 13.412 -1.841 1.00 0.00 O ATOM 0 H GLU A 727 -9.864 11.636 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 727 -8.331 12.763 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 727 -9.233 15.188 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 727 -7.901 15.242 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 727 -9.821 16.022 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 727 -9.470 14.426 -2.682 1.00 0.00 H new ATOM 57 N SER A 728 -7.180 13.929 1.556 1.00 0.00 N ATOM 58 CA SER A 728 -6.093 13.903 2.487 1.00 0.00 C ATOM 59 C SER A 728 -6.676 13.857 3.892 1.00 0.00 C ATOM 60 O SER A 728 -6.697 14.856 4.612 1.00 0.00 O ATOM 61 CB SER A 728 -5.202 15.143 2.291 1.00 0.00 C ATOM 62 OG SER A 728 -4.050 15.119 3.133 1.00 0.00 O ATOM 0 H SER A 728 -7.901 14.614 1.781 1.00 0.00 H new ATOM 0 HA SER A 728 -5.469 13.024 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 728 -4.887 15.201 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 728 -5.783 16.042 2.499 1.00 0.00 H new ATOM 0 HG SER A 728 -3.512 15.923 2.975 1.00 0.00 H new ATOM 68 N LEU A 729 -7.230 12.721 4.251 1.00 0.00 N ATOM 69 CA LEU A 729 -7.836 12.566 5.530 1.00 0.00 C ATOM 70 C LEU A 729 -6.929 11.638 6.341 1.00 0.00 C ATOM 71 O LEU A 729 -5.723 11.704 6.215 1.00 0.00 O ATOM 72 CB LEU A 729 -9.264 11.983 5.351 1.00 0.00 C ATOM 73 CG LEU A 729 -10.227 12.107 6.544 1.00 0.00 C ATOM 74 CD1 LEU A 729 -10.502 13.561 6.850 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.525 11.381 6.257 1.00 0.00 C ATOM 0 H LEU A 729 -7.267 11.890 3.660 1.00 0.00 H new ATOM 0 HA LEU A 729 -7.943 13.515 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -9.724 12.473 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -9.169 10.926 5.102 1.00 0.00 H new ATOM 0 HG LEU A 729 -9.756 11.648 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -11.185 13.632 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -9.567 14.064 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -10.953 14.037 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.194 11.480 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -11.997 11.814 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -11.320 10.326 6.077 1.00 0.00 H new ATOM 87 N ARG A 730 -7.509 10.700 7.042 1.00 0.00 N ATOM 88 CA ARG A 730 -6.776 9.700 7.770 1.00 0.00 C ATOM 89 C ARG A 730 -6.100 8.703 6.835 1.00 0.00 C ATOM 90 O ARG A 730 -5.002 8.234 7.088 1.00 0.00 O ATOM 91 CB ARG A 730 -7.707 8.976 8.738 1.00 0.00 C ATOM 92 CG ARG A 730 -9.107 8.652 8.206 1.00 0.00 C ATOM 93 CD ARG A 730 -9.800 7.626 9.093 1.00 0.00 C ATOM 94 NE ARG A 730 -9.768 7.987 10.512 1.00 0.00 N ATOM 95 CZ ARG A 730 -9.747 7.096 11.509 1.00 0.00 C ATOM 96 NH1 ARG A 730 -9.704 5.799 11.237 1.00 0.00 N ATOM 97 NH2 ARG A 730 -9.748 7.514 12.765 1.00 0.00 N ATOM 0 H ARG A 730 -8.522 10.608 7.124 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.990 10.203 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -7.230 8.044 9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -7.813 9.586 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -9.704 9.563 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -9.034 8.269 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -10.837 7.518 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -9.322 6.655 8.959 1.00 0.00 H new ATOM 0 HE ARG A 730 -9.761 8.978 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -9.687 5.481 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -9.688 5.119 11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -9.765 8.513 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -9.732 6.837 13.528 1.00 0.00 H new ATOM 111 N GLN A 731 -6.800 8.371 5.784 1.00 0.00 N ATOM 112 CA GLN A 731 -6.337 7.440 4.788 1.00 0.00 C ATOM 113 C GLN A 731 -5.521 8.167 3.739 1.00 0.00 C ATOM 114 O GLN A 731 -4.428 7.755 3.377 1.00 0.00 O ATOM 115 CB GLN A 731 -7.548 6.699 4.178 1.00 0.00 C ATOM 116 CG GLN A 731 -7.228 5.723 3.048 1.00 0.00 C ATOM 117 CD GLN A 731 -6.160 4.718 3.396 1.00 0.00 C ATOM 118 OE1 GLN A 731 -6.182 4.239 4.604 1.00 0.00 O flip ATOM 119 NE2 GLN A 731 -5.395 4.301 2.543 1.00 0.00 N flip ATOM 0 H GLN A 731 -7.728 8.748 5.591 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.685 6.695 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -8.054 6.152 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.253 7.441 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -8.138 5.191 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.910 6.288 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -5.408 4.703 1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -4.742 3.550 2.767 1.00 0.00 H new ATOM 128 N GLY A 732 -6.082 9.256 3.250 1.00 0.00 N ATOM 129 CA GLY A 732 -5.430 10.042 2.220 1.00 0.00 C ATOM 130 C GLY A 732 -4.204 10.783 2.697 1.00 0.00 C ATOM 131 O GLY A 732 -3.419 11.246 1.887 1.00 0.00 O ATOM 0 H GLY A 732 -6.988 9.617 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.147 9.383 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.144 10.762 1.820 1.00 0.00 H new ATOM 135 N GLY A 733 -4.050 10.925 3.994 1.00 0.00 N ATOM 136 CA GLY A 733 -2.897 11.637 4.508 1.00 0.00 C ATOM 137 C GLY A 733 -2.570 11.220 5.905 1.00 0.00 C ATOM 138 O GLY A 733 -2.461 12.052 6.795 1.00 0.00 O ATOM 0 H GLY A 733 -4.692 10.567 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.038 11.453 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -3.091 12.709 4.484 1.00 0.00 H new ATOM 142 N GLY A 734 -2.463 9.931 6.119 1.00 0.00 N ATOM 143 CA GLY A 734 -2.184 9.441 7.443 1.00 0.00 C ATOM 144 C GLY A 734 -1.502 8.115 7.421 1.00 0.00 C ATOM 145 O GLY A 734 -0.283 8.046 7.492 1.00 0.00 O ATOM 0 H GLY A 734 -2.564 9.212 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -1.558 10.161 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -3.116 9.359 8.002 1.00 0.00 H new ATOM 149 N LYS A 735 -2.279 7.065 7.262 1.00 0.00 N ATOM 150 CA LYS A 735 -1.760 5.712 7.189 1.00 0.00 C ATOM 151 C LYS A 735 -2.562 4.943 6.179 1.00 0.00 C ATOM 152 O LYS A 735 -3.704 5.324 5.904 1.00 0.00 O ATOM 153 CB LYS A 735 -1.730 5.008 8.583 1.00 0.00 C ATOM 154 CG LYS A 735 -3.063 4.781 9.333 1.00 0.00 C ATOM 155 CD LYS A 735 -3.783 6.089 9.688 1.00 0.00 C ATOM 156 CE LYS A 735 -4.995 5.847 10.569 1.00 0.00 C ATOM 157 NZ LYS A 735 -4.620 5.189 11.839 1.00 0.00 N ATOM 0 H LYS A 735 -3.294 7.124 7.179 1.00 0.00 H new ATOM 0 HA LYS A 735 -0.719 5.748 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -1.256 4.035 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -1.081 5.593 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.720 4.167 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.868 4.221 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.090 6.757 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.094 6.592 8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -5.487 6.796 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -5.716 5.227 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -5.393 5.295 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -4.445 4.178 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -3.758 5.630 12.217 1.00 0.00 H new ATOM 171 N LEU A 736 -2.051 3.829 5.651 1.00 0.00 N ATOM 172 CA LEU A 736 -2.872 3.107 4.691 1.00 0.00 C ATOM 173 C LEU A 736 -3.008 1.714 5.126 1.00 0.00 C ATOM 174 O LEU A 736 -2.034 0.982 5.212 1.00 0.00 O ATOM 175 CB LEU A 736 -2.237 3.090 3.286 1.00 0.00 C ATOM 176 CG LEU A 736 -2.171 4.414 2.468 1.00 0.00 C ATOM 177 CD1 LEU A 736 -1.221 5.438 3.061 1.00 0.00 C ATOM 178 CD2 LEU A 736 -1.792 4.127 1.028 1.00 0.00 C ATOM 0 H LEU A 736 -1.135 3.431 5.856 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.835 3.614 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.218 2.717 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.783 2.361 2.687 1.00 0.00 H new ATOM 0 HG LEU A 736 -3.169 4.850 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -1.222 6.336 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -1.544 5.692 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.214 5.023 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -1.750 5.062 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.816 3.643 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -2.537 3.470 0.580 1.00 0.00 H new ATOM 190 N ASN A 737 -4.210 1.264 5.246 1.00 0.00 N ATOM 191 CA ASN A 737 -4.428 -0.078 5.658 1.00 0.00 C ATOM 192 C ASN A 737 -5.662 -0.619 5.090 1.00 0.00 C ATOM 193 O ASN A 737 -6.576 -0.095 5.340 1.00 0.00 O ATOM 194 CB ASN A 737 -4.418 -0.275 7.228 1.00 0.00 C ATOM 195 CG ASN A 737 -4.879 0.836 8.101 1.00 0.00 C ATOM 196 OD1 ASN A 737 -4.418 1.985 7.833 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -5.550 0.613 9.095 1.00 0.00 N flip ATOM 0 H ASN A 737 -5.055 1.805 5.065 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.578 -0.637 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -5.033 -1.146 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.397 -0.521 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -5.902 -0.328 9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -5.760 1.367 9.749 1.00 0.00 H new ATOM 204 N PHE A 738 -5.610 -1.712 4.288 1.00 0.00 N ATOM 205 CA PHE A 738 -6.780 -2.307 3.546 1.00 0.00 C ATOM 206 C PHE A 738 -8.191 -1.890 4.033 1.00 0.00 C ATOM 207 O PHE A 738 -8.898 -1.230 3.296 1.00 0.00 O ATOM 208 CB PHE A 738 -6.673 -3.829 3.361 1.00 0.00 C ATOM 209 CG PHE A 738 -7.316 -4.266 2.065 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.678 -4.493 1.978 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.550 -4.390 0.910 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.256 -4.844 0.778 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.129 -4.728 -0.285 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.477 -4.953 -0.353 1.00 0.00 C ATOM 0 H PHE A 738 -4.742 -2.224 4.127 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.687 -1.840 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.624 -4.127 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.154 -4.335 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -9.294 -4.394 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.485 -4.218 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.318 -5.033 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -6.521 -4.817 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 738 -8.932 -5.217 -1.296 1.00 0.00 H new ATOM 224 N ASP A 739 -8.561 -2.214 5.287 1.00 0.00 N ATOM 225 CA ASP A 739 -9.886 -1.796 5.851 1.00 0.00 C ATOM 226 C ASP A 739 -10.005 -0.269 5.957 1.00 0.00 C ATOM 227 O ASP A 739 -11.063 0.314 5.726 1.00 0.00 O ATOM 228 CB ASP A 739 -10.125 -2.403 7.239 1.00 0.00 C ATOM 229 CG ASP A 739 -10.168 -3.882 7.239 1.00 0.00 C ATOM 230 OD1 ASP A 739 -11.211 -4.439 6.907 1.00 0.00 O ATOM 231 OD2 ASP A 739 -9.169 -4.499 7.609 1.00 0.00 O ATOM 0 H ASP A 739 -7.982 -2.754 5.930 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.640 -2.167 5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.335 -2.071 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -11.065 -2.020 7.637 1.00 0.00 H new ATOM 236 N GLU A 740 -8.905 0.352 6.265 1.00 0.00 N ATOM 237 CA GLU A 740 -8.778 1.806 6.325 1.00 0.00 C ATOM 238 C GLU A 740 -8.539 2.377 4.901 1.00 0.00 C ATOM 239 O GLU A 740 -8.988 3.466 4.583 1.00 0.00 O ATOM 240 CB GLU A 740 -7.690 2.174 7.364 1.00 0.00 C ATOM 241 CG GLU A 740 -7.289 3.644 7.557 1.00 0.00 C ATOM 242 CD GLU A 740 -8.411 4.555 7.867 1.00 0.00 C ATOM 243 OE1 GLU A 740 -8.991 4.427 8.955 1.00 0.00 O ATOM 244 OE2 GLU A 740 -8.716 5.398 7.035 1.00 0.00 O ATOM 0 H GLU A 740 -8.039 -0.138 6.490 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.700 2.274 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -8.023 1.797 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.788 1.622 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -6.557 3.704 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -6.795 3.994 6.651 1.00 0.00 H new ATOM 251 N LEU A 741 -7.869 1.594 4.017 1.00 0.00 N ATOM 252 CA LEU A 741 -7.619 1.986 2.625 1.00 0.00 C ATOM 253 C LEU A 741 -8.916 2.296 1.909 1.00 0.00 C ATOM 254 O LEU A 741 -8.939 3.073 0.962 1.00 0.00 O ATOM 255 CB LEU A 741 -6.982 0.833 1.891 1.00 0.00 C ATOM 256 CG LEU A 741 -6.932 0.989 0.374 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.773 1.853 -0.085 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.996 -0.340 -0.332 1.00 0.00 C ATOM 0 H LEU A 741 -7.492 0.677 4.258 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.976 2.866 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.966 0.701 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.529 -0.079 2.131 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.832 1.531 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.785 1.930 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.866 2.848 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.834 1.402 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.958 -0.182 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.151 -0.956 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.926 -0.845 -0.073 1.00 0.00 H new ATOM 270 N ARG A 742 -9.975 1.650 2.338 1.00 0.00 N ATOM 271 CA ARG A 742 -11.258 1.785 1.741 1.00 0.00 C ATOM 272 C ARG A 742 -11.678 3.182 1.766 1.00 0.00 C ATOM 273 O ARG A 742 -12.227 3.603 0.861 1.00 0.00 O ATOM 274 CB ARG A 742 -12.297 1.012 2.504 1.00 0.00 C ATOM 275 CG ARG A 742 -11.879 -0.354 2.884 1.00 0.00 C ATOM 276 CD ARG A 742 -11.604 -1.231 1.670 1.00 0.00 C ATOM 277 NE ARG A 742 -12.291 -2.509 1.764 1.00 0.00 N ATOM 278 CZ ARG A 742 -13.139 -2.970 0.841 1.00 0.00 C ATOM 279 NH1 ARG A 742 -13.655 -2.144 -0.082 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.562 -4.215 0.902 1.00 0.00 N ATOM 0 H ARG A 742 -9.955 1.006 3.129 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.175 1.409 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.555 1.565 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -13.202 0.948 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.982 -0.299 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -12.657 -0.814 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -11.923 -0.712 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -10.531 -1.400 1.579 1.00 0.00 H new ATOM 0 HE ARG A 742 -12.115 -3.089 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -13.400 -1.156 -0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -14.302 -2.504 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.242 -4.826 1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.210 -4.569 0.198 1.00 0.00 H new ATOM 294 N GLN A 743 -11.342 3.917 2.813 1.00 0.00 N ATOM 295 CA GLN A 743 -11.804 5.352 2.949 1.00 0.00 C ATOM 296 C GLN A 743 -11.473 6.191 1.743 1.00 0.00 C ATOM 297 O GLN A 743 -12.170 7.150 1.419 1.00 0.00 O ATOM 298 CB GLN A 743 -11.119 6.032 4.111 1.00 0.00 C ATOM 299 CG GLN A 743 -11.894 6.106 5.400 1.00 0.00 C ATOM 300 CD GLN A 743 -12.092 4.801 6.130 1.00 0.00 C ATOM 301 OE1 GLN A 743 -11.110 3.970 6.090 1.00 0.00 O flip ATOM 302 NE2 GLN A 743 -13.113 4.594 6.782 1.00 0.00 N flip ATOM 0 H GLN A 743 -10.764 3.583 3.584 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.884 5.287 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -10.182 5.511 4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -10.862 7.047 3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -11.383 6.799 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.874 6.532 5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -13.866 5.282 6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -13.208 3.734 7.322 1.00 0.00 H new ATOM 311 N ASP A 744 -10.453 5.810 1.121 1.00 0.00 N ATOM 312 CA ASP A 744 -9.940 6.468 -0.080 1.00 0.00 C ATOM 313 C ASP A 744 -10.804 6.121 -1.273 1.00 0.00 C ATOM 314 O ASP A 744 -11.320 6.989 -1.981 1.00 0.00 O ATOM 315 CB ASP A 744 -8.568 5.903 -0.342 1.00 0.00 C ATOM 316 CG ASP A 744 -7.722 6.719 -1.260 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.772 6.505 -2.468 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.966 7.558 -0.766 1.00 0.00 O ATOM 0 H ASP A 744 -9.898 5.004 1.409 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.929 7.548 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -8.047 5.794 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.676 4.903 -0.762 1.00 0.00 H new ATOM 323 N LEU A 745 -10.923 4.845 -1.499 1.00 0.00 N ATOM 324 CA LEU A 745 -11.626 4.324 -2.637 1.00 0.00 C ATOM 325 C LEU A 745 -12.832 3.458 -2.280 1.00 0.00 C ATOM 326 O LEU A 745 -12.985 2.359 -2.819 1.00 0.00 O ATOM 327 CB LEU A 745 -10.632 3.585 -3.560 1.00 0.00 C ATOM 328 CG LEU A 745 -9.471 2.800 -2.873 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.950 1.708 -1.924 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.540 2.216 -3.906 1.00 0.00 C ATOM 0 H LEU A 745 -10.530 4.127 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 745 -12.053 5.173 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.198 2.884 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -10.191 4.317 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.936 3.529 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.089 1.205 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.554 2.153 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.550 0.984 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.738 1.673 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -9.094 1.534 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -8.115 3.019 -4.508 1.00 0.00 H new ATOM 342 N LYS A 746 -13.624 3.890 -1.298 1.00 0.00 N ATOM 343 CA LYS A 746 -14.787 3.061 -0.855 1.00 0.00 C ATOM 344 C LYS A 746 -15.740 2.789 -2.003 1.00 0.00 C ATOM 345 O LYS A 746 -16.310 3.722 -2.581 1.00 0.00 O ATOM 346 CB LYS A 746 -15.602 3.646 0.331 1.00 0.00 C ATOM 347 CG LYS A 746 -14.872 3.758 1.675 1.00 0.00 C ATOM 348 CD LYS A 746 -15.855 3.807 2.830 1.00 0.00 C ATOM 349 CE LYS A 746 -15.148 3.783 4.177 1.00 0.00 C ATOM 350 NZ LYS A 746 -16.090 3.904 5.303 1.00 0.00 N ATOM 0 H LYS A 746 -13.505 4.772 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.327 2.139 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.950 4.639 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.487 3.027 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.202 2.907 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -14.253 4.655 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -16.460 4.710 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -16.537 2.959 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.586 2.854 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.426 4.598 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -15.564 3.883 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.608 4.802 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.764 3.112 5.278 1.00 0.00 H new ATOM 364 N GLY A 747 -15.927 1.517 -2.303 1.00 0.00 N ATOM 365 CA GLY A 747 -16.827 1.119 -3.355 1.00 0.00 C ATOM 366 C GLY A 747 -16.277 1.384 -4.726 1.00 0.00 C ATOM 367 O GLY A 747 -16.870 2.147 -5.496 1.00 0.00 O ATOM 0 H GLY A 747 -15.463 0.743 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -17.046 0.056 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -17.771 1.651 -3.239 1.00 0.00 H new ATOM 371 N LYS A 748 -15.157 0.756 -5.062 1.00 0.00 N ATOM 372 CA LYS A 748 -14.572 0.964 -6.386 1.00 0.00 C ATOM 373 C LYS A 748 -14.380 -0.363 -7.125 1.00 0.00 C ATOM 374 O LYS A 748 -14.204 -0.390 -8.345 1.00 0.00 O ATOM 375 CB LYS A 748 -13.203 1.701 -6.308 1.00 0.00 C ATOM 376 CG LYS A 748 -11.968 0.799 -6.062 1.00 0.00 C ATOM 377 CD LYS A 748 -11.920 0.165 -4.677 1.00 0.00 C ATOM 378 CE LYS A 748 -10.928 -0.986 -4.655 1.00 0.00 C ATOM 379 NZ LYS A 748 -10.541 -1.390 -3.290 1.00 0.00 N ATOM 0 H LYS A 748 -14.645 0.115 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 748 -15.276 1.588 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -13.052 2.247 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -13.254 2.441 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -11.956 0.008 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -11.065 1.391 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -11.635 0.913 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -12.911 -0.195 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -11.362 -1.842 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -10.035 -0.699 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.537 -1.167 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -11.122 -0.876 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -10.690 -2.413 -3.175 1.00 0.00 H new ATOM 393 N GLY A 749 -14.271 -1.439 -6.368 1.00 0.00 N ATOM 394 CA GLY A 749 -13.953 -2.720 -6.941 1.00 0.00 C ATOM 395 C GLY A 749 -15.149 -3.505 -7.278 1.00 0.00 C ATOM 396 O GLY A 749 -16.216 -3.290 -6.692 1.00 0.00 O ATOM 0 H GLY A 749 -14.399 -1.445 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.355 -2.572 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -13.339 -3.285 -6.239 1.00 0.00 H new ATOM 400 N HIS A 750 -14.960 -4.504 -8.119 1.00 0.00 N ATOM 401 CA HIS A 750 -16.025 -5.444 -8.409 1.00 0.00 C ATOM 402 C HIS A 750 -16.125 -6.322 -7.191 1.00 0.00 C ATOM 403 O HIS A 750 -17.100 -6.248 -6.432 1.00 0.00 O ATOM 404 CB HIS A 750 -15.709 -6.262 -9.661 1.00 0.00 C ATOM 405 CG HIS A 750 -16.828 -7.119 -10.132 1.00 0.00 C ATOM 406 ND1 HIS A 750 -17.920 -6.625 -10.807 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.010 -8.446 -10.035 1.00 0.00 C ATOM 408 CE1 HIS A 750 -18.734 -7.626 -11.106 1.00 0.00 C ATOM 409 NE2 HIS A 750 -18.200 -8.746 -10.647 1.00 0.00 N ATOM 0 H HIS A 750 -14.085 -4.685 -8.610 1.00 0.00 H new ATOM 0 HA HIS A 750 -16.968 -4.937 -8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.426 -5.581 -10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -14.844 -6.893 -9.459 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -16.341 -9.149 -9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -19.672 -7.542 -11.634 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -18.606 -9.678 -10.734 1.00 0.00 H new ATOM 418 N THR A 751 -15.008 -6.927 -6.857 1.00 0.00 N ATOM 419 CA THR A 751 -14.870 -7.538 -5.580 1.00 0.00 C ATOM 420 C THR A 751 -13.508 -7.105 -5.082 1.00 0.00 C ATOM 421 O THR A 751 -12.557 -7.039 -5.872 1.00 0.00 O ATOM 422 CB THR A 751 -14.878 -9.050 -5.721 1.00 0.00 C ATOM 423 OG1 THR A 751 -15.709 -9.448 -6.794 1.00 0.00 O ATOM 424 CG2 THR A 751 -15.377 -9.766 -4.489 1.00 0.00 C ATOM 0 H THR A 751 -14.189 -7.002 -7.460 1.00 0.00 H new ATOM 0 HA THR A 751 -15.680 -7.254 -4.908 1.00 0.00 H new ATOM 0 HB THR A 751 -13.837 -9.324 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 751 -15.203 -9.407 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.356 -10.842 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 751 -14.737 -9.521 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.399 -9.453 -4.275 1.00 0.00 H new ATOM 432 N ASP A 752 -13.371 -6.886 -3.801 1.00 0.00 N ATOM 433 CA ASP A 752 -12.075 -6.547 -3.245 1.00 0.00 C ATOM 434 C ASP A 752 -11.071 -7.644 -3.292 1.00 0.00 C ATOM 435 O ASP A 752 -9.904 -7.378 -3.420 1.00 0.00 O ATOM 436 CB ASP A 752 -12.134 -5.809 -1.934 1.00 0.00 C ATOM 437 CG ASP A 752 -12.639 -4.426 -2.147 1.00 0.00 C ATOM 438 OD1 ASP A 752 -11.831 -3.530 -2.435 1.00 0.00 O ATOM 439 OD2 ASP A 752 -13.847 -4.214 -2.044 1.00 0.00 O ATOM 0 H ASP A 752 -14.131 -6.934 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.680 -5.810 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.785 -6.339 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.143 -5.777 -1.481 1.00 0.00 H new ATOM 444 N ALA A 753 -11.535 -8.890 -3.176 1.00 0.00 N ATOM 445 CA ALA A 753 -10.642 -10.062 -3.206 1.00 0.00 C ATOM 446 C ALA A 753 -9.865 -10.145 -4.510 1.00 0.00 C ATOM 447 O ALA A 753 -8.699 -10.528 -4.519 1.00 0.00 O ATOM 448 CB ALA A 753 -11.419 -11.348 -2.992 1.00 0.00 C ATOM 0 H ALA A 753 -12.522 -9.119 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.931 -9.937 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.734 -12.196 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.917 -11.315 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -12.164 -11.458 -3.780 1.00 0.00 H new ATOM 454 N GLU A 754 -10.520 -9.786 -5.600 1.00 0.00 N ATOM 455 CA GLU A 754 -9.901 -9.792 -6.925 1.00 0.00 C ATOM 456 C GLU A 754 -8.790 -8.739 -6.997 1.00 0.00 C ATOM 457 O GLU A 754 -7.690 -9.016 -7.462 1.00 0.00 O ATOM 458 CB GLU A 754 -10.967 -9.540 -7.988 1.00 0.00 C ATOM 459 CG GLU A 754 -12.125 -10.537 -7.934 1.00 0.00 C ATOM 460 CD GLU A 754 -13.192 -10.240 -8.927 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.833 -9.204 -8.799 1.00 0.00 O ATOM 462 OE2 GLU A 754 -13.407 -11.059 -9.829 1.00 0.00 O ATOM 0 H GLU A 754 -11.494 -9.482 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.450 -10.767 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.360 -8.531 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -10.504 -9.585 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -11.741 -11.542 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.556 -10.532 -6.933 1.00 0.00 H new ATOM 469 N ILE A 755 -9.067 -7.559 -6.452 1.00 0.00 N ATOM 470 CA ILE A 755 -8.089 -6.486 -6.380 1.00 0.00 C ATOM 471 C ILE A 755 -6.976 -6.853 -5.387 1.00 0.00 C ATOM 472 O ILE A 755 -5.808 -6.544 -5.592 1.00 0.00 O ATOM 473 CB ILE A 755 -8.761 -5.140 -6.027 1.00 0.00 C ATOM 474 CG1 ILE A 755 -9.868 -4.870 -7.045 1.00 0.00 C ATOM 475 CG2 ILE A 755 -7.749 -3.993 -6.048 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.566 -3.566 -6.864 1.00 0.00 C ATOM 0 H ILE A 755 -9.974 -7.323 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.633 -6.360 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.173 -5.201 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -9.440 -4.903 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -10.603 -5.673 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -8.252 -3.059 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -6.962 -4.189 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -7.311 -3.912 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.336 -3.456 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.028 -3.534 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.846 -2.752 -6.954 1.00 0.00 H new ATOM 488 N GLU A 756 -7.355 -7.509 -4.323 1.00 0.00 N ATOM 489 CA GLU A 756 -6.435 -7.963 -3.307 1.00 0.00 C ATOM 490 C GLU A 756 -5.417 -8.965 -3.913 1.00 0.00 C ATOM 491 O GLU A 756 -4.254 -9.001 -3.508 1.00 0.00 O ATOM 492 CB GLU A 756 -7.232 -8.598 -2.168 1.00 0.00 C ATOM 493 CG GLU A 756 -6.431 -8.962 -0.943 1.00 0.00 C ATOM 494 CD GLU A 756 -7.276 -9.588 0.093 1.00 0.00 C ATOM 495 OE1 GLU A 756 -7.845 -8.861 0.902 1.00 0.00 O ATOM 496 OE2 GLU A 756 -7.380 -10.813 0.104 1.00 0.00 O ATOM 0 H GLU A 756 -8.328 -7.749 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.868 -7.120 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.023 -7.909 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -7.718 -9.498 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -5.630 -9.646 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -5.959 -8.067 -0.537 1.00 0.00 H new ATOM 503 N ALA A 757 -5.840 -9.706 -4.942 1.00 0.00 N ATOM 504 CA ALA A 757 -4.936 -10.635 -5.647 1.00 0.00 C ATOM 505 C ALA A 757 -3.827 -9.866 -6.363 1.00 0.00 C ATOM 506 O ALA A 757 -2.636 -10.178 -6.212 1.00 0.00 O ATOM 507 CB ALA A 757 -5.702 -11.494 -6.645 1.00 0.00 C ATOM 0 H ALA A 757 -6.792 -9.685 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.487 -11.291 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.011 -12.169 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.458 -12.076 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.186 -10.852 -7.382 1.00 0.00 H new ATOM 513 N ILE A 758 -4.209 -8.790 -7.045 1.00 0.00 N ATOM 514 CA ILE A 758 -3.241 -7.917 -7.684 1.00 0.00 C ATOM 515 C ILE A 758 -2.392 -7.161 -6.638 1.00 0.00 C ATOM 516 O ILE A 758 -1.172 -7.099 -6.763 1.00 0.00 O ATOM 517 CB ILE A 758 -3.898 -7.009 -8.848 1.00 0.00 C ATOM 518 CG1 ILE A 758 -3.090 -5.752 -9.264 1.00 0.00 C ATOM 519 CG2 ILE A 758 -5.329 -6.635 -8.567 1.00 0.00 C ATOM 520 CD1 ILE A 758 -3.192 -4.568 -8.308 1.00 0.00 C ATOM 0 H ILE A 758 -5.181 -8.506 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 758 -2.524 -8.533 -8.227 1.00 0.00 H new ATOM 0 HB ILE A 758 -3.867 -7.678 -9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -2.041 -6.030 -9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.428 -5.432 -10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -5.713 -6.026 -9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -5.930 -7.540 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -5.381 -6.068 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -2.592 -3.741 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -4.233 -4.254 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.824 -4.861 -7.325 1.00 0.00 H new ATOM 532 N PHE A 759 -3.031 -6.710 -5.546 1.00 0.00 N ATOM 533 CA PHE A 759 -2.335 -6.031 -4.418 1.00 0.00 C ATOM 534 C PHE A 759 -1.234 -6.892 -3.802 1.00 0.00 C ATOM 535 O PHE A 759 -0.250 -6.372 -3.307 1.00 0.00 O ATOM 536 CB PHE A 759 -3.356 -5.554 -3.326 1.00 0.00 C ATOM 537 CG PHE A 759 -3.019 -5.912 -1.880 1.00 0.00 C ATOM 538 CD1 PHE A 759 -2.246 -5.082 -1.100 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.503 -7.077 -1.311 1.00 0.00 C ATOM 540 CE1 PHE A 759 -1.967 -5.405 0.207 1.00 0.00 C ATOM 541 CE2 PHE A 759 -3.219 -7.406 -0.006 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.452 -6.567 0.755 1.00 0.00 C ATOM 0 H PHE A 759 -4.038 -6.800 -5.411 1.00 0.00 H new ATOM 0 HA PHE A 759 -1.847 -5.152 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -3.451 -4.470 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.333 -5.976 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -1.854 -4.167 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -4.116 -7.741 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -1.362 -4.741 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -3.600 -8.324 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 759 -2.229 -6.817 1.782 1.00 0.00 H new ATOM 552 N THR A 760 -1.414 -8.195 -3.817 1.00 0.00 N ATOM 553 CA THR A 760 -0.453 -9.093 -3.220 1.00 0.00 C ATOM 554 C THR A 760 0.948 -8.936 -3.867 1.00 0.00 C ATOM 555 O THR A 760 1.939 -8.786 -3.167 1.00 0.00 O ATOM 556 CB THR A 760 -0.991 -10.533 -3.291 1.00 0.00 C ATOM 557 OG1 THR A 760 -2.253 -10.616 -2.634 1.00 0.00 O ATOM 558 CG2 THR A 760 -0.098 -11.567 -2.651 1.00 0.00 C ATOM 0 H THR A 760 -2.220 -8.656 -4.238 1.00 0.00 H new ATOM 0 HA THR A 760 -0.319 -8.838 -2.169 1.00 0.00 H new ATOM 0 HB THR A 760 -1.055 -10.753 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 760 -2.904 -10.055 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 760 -0.555 -12.552 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 760 0.873 -11.567 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 760 0.034 -11.330 -1.595 1.00 0.00 H new ATOM 566 N LYS A 761 1.019 -8.902 -5.186 1.00 0.00 N ATOM 567 CA LYS A 761 2.312 -8.673 -5.841 1.00 0.00 C ATOM 568 C LYS A 761 2.589 -7.196 -6.187 1.00 0.00 C ATOM 569 O LYS A 761 3.713 -6.716 -6.029 1.00 0.00 O ATOM 570 CB LYS A 761 2.528 -9.572 -7.075 1.00 0.00 C ATOM 571 CG LYS A 761 2.859 -11.050 -6.761 1.00 0.00 C ATOM 572 CD LYS A 761 1.721 -11.826 -6.086 1.00 0.00 C ATOM 573 CE LYS A 761 0.873 -12.630 -7.082 1.00 0.00 C ATOM 574 NZ LYS A 761 0.289 -11.810 -8.156 1.00 0.00 N ATOM 0 H LYS A 761 0.227 -9.025 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 761 3.045 -8.958 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 761 1.629 -9.540 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 761 3.338 -9.154 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 761 3.126 -11.555 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 761 3.737 -11.084 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 761 2.141 -12.505 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 761 1.078 -11.127 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 761 1.492 -13.409 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.070 -13.131 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -0.311 -12.406 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -0.286 -11.051 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 1.051 -11.393 -8.728 1.00 0.00 H new ATOM 588 N TYR A 762 1.593 -6.538 -6.758 1.00 0.00 N ATOM 589 CA TYR A 762 1.699 -5.161 -7.314 1.00 0.00 C ATOM 590 C TYR A 762 1.709 -4.011 -6.294 1.00 0.00 C ATOM 591 O TYR A 762 1.606 -2.849 -6.718 1.00 0.00 O ATOM 592 CB TYR A 762 0.584 -4.875 -8.327 1.00 0.00 C ATOM 593 CG TYR A 762 0.556 -5.735 -9.575 1.00 0.00 C ATOM 594 CD1 TYR A 762 -0.006 -7.001 -9.563 1.00 0.00 C ATOM 595 CD2 TYR A 762 1.033 -5.253 -10.780 1.00 0.00 C ATOM 596 CE1 TYR A 762 -0.092 -7.758 -10.702 1.00 0.00 C ATOM 597 CE2 TYR A 762 0.961 -6.014 -11.926 1.00 0.00 C ATOM 598 CZ TYR A 762 0.391 -7.263 -11.878 1.00 0.00 C ATOM 599 OH TYR A 762 0.293 -8.012 -13.012 1.00 0.00 O ATOM 0 H TYR A 762 0.660 -6.938 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 762 2.683 -5.173 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -0.374 -4.984 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 762 0.664 -3.832 -8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -0.385 -7.401 -8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 762 1.468 -4.266 -10.823 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -0.539 -8.740 -10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 762 1.351 -5.631 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 762 0.682 -7.519 -13.764 1.00 0.00 H new ATOM 609 N ASP A 763 1.612 -4.293 -4.991 1.00 0.00 N ATOM 610 CA ASP A 763 1.380 -3.201 -4.012 1.00 0.00 C ATOM 611 C ASP A 763 2.494 -2.174 -3.998 1.00 0.00 C ATOM 612 O ASP A 763 3.677 -2.495 -4.169 1.00 0.00 O ATOM 613 CB ASP A 763 1.187 -3.721 -2.604 1.00 0.00 C ATOM 614 CG ASP A 763 0.682 -2.644 -1.704 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.505 -2.405 -1.730 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.482 -2.009 -1.017 1.00 0.00 O ATOM 0 H ASP A 763 1.686 -5.228 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 763 0.462 -2.719 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 763 0.483 -4.553 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 763 2.132 -4.107 -2.222 1.00 0.00 H new ATOM 621 N GLN A 764 2.080 -0.931 -3.872 1.00 0.00 N ATOM 622 CA GLN A 764 2.944 0.225 -3.941 1.00 0.00 C ATOM 623 C GLN A 764 3.885 0.359 -2.744 1.00 0.00 C ATOM 624 O GLN A 764 5.069 0.661 -2.929 1.00 0.00 O ATOM 625 CB GLN A 764 2.091 1.480 -4.094 1.00 0.00 C ATOM 626 CG GLN A 764 1.144 1.423 -5.289 1.00 0.00 C ATOM 627 CD GLN A 764 0.224 2.614 -5.364 1.00 0.00 C ATOM 628 OE1 GLN A 764 0.545 3.622 -5.997 1.00 0.00 O ATOM 629 NE2 GLN A 764 -0.915 2.518 -4.715 1.00 0.00 N ATOM 0 H GLN A 764 1.101 -0.691 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 764 3.588 0.094 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 764 1.509 1.629 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.745 2.345 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 764 1.728 1.363 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 764 0.548 0.512 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.140 1.665 -4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.574 3.297 -4.723 1.00 0.00 H new ATOM 638 N ASP A 765 3.396 0.147 -1.526 1.00 0.00 N ATOM 639 CA ASP A 765 4.267 0.293 -0.357 1.00 0.00 C ATOM 640 C ASP A 765 4.658 -1.040 0.211 1.00 0.00 C ATOM 641 O ASP A 765 5.368 -1.108 1.218 1.00 0.00 O ATOM 642 CB ASP A 765 3.595 1.148 0.727 1.00 0.00 C ATOM 643 CG ASP A 765 3.530 2.591 0.366 1.00 0.00 C ATOM 644 OD1 ASP A 765 2.726 2.957 -0.502 1.00 0.00 O ATOM 645 OD2 ASP A 765 4.292 3.379 0.946 1.00 0.00 O ATOM 0 H ASP A 765 2.433 -0.118 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 765 5.172 0.799 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 765 2.585 0.776 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 765 4.143 1.037 1.663 1.00 0.00 H new ATOM 650 N GLY A 766 4.118 -2.091 -0.365 1.00 0.00 N ATOM 651 CA GLY A 766 4.330 -3.425 0.152 1.00 0.00 C ATOM 652 C GLY A 766 3.493 -3.658 1.389 1.00 0.00 C ATOM 653 O GLY A 766 3.767 -4.574 2.171 1.00 0.00 O ATOM 0 H GLY A 766 3.527 -2.047 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 766 4.074 -4.161 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 766 5.385 -3.565 0.389 1.00 0.00 H new ATOM 657 N ASP A 767 2.485 -2.809 1.574 1.00 0.00 N ATOM 658 CA ASP A 767 1.615 -2.873 2.712 1.00 0.00 C ATOM 659 C ASP A 767 0.159 -2.806 2.347 1.00 0.00 C ATOM 660 O ASP A 767 -0.450 -3.847 2.190 1.00 0.00 O ATOM 661 CB ASP A 767 1.953 -1.822 3.768 1.00 0.00 C ATOM 662 CG ASP A 767 2.999 -2.291 4.719 1.00 0.00 C ATOM 663 OD1 ASP A 767 2.646 -3.006 5.660 1.00 0.00 O ATOM 664 OD2 ASP A 767 4.174 -1.951 4.540 1.00 0.00 O ATOM 0 H ASP A 767 2.259 -2.056 0.924 1.00 0.00 H new ATOM 0 HA ASP A 767 1.793 -3.856 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.295 -0.912 3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.051 -1.564 4.322 1.00 0.00 H new ATOM 669 N GLN A 768 -0.404 -1.551 2.281 1.00 0.00 N ATOM 670 CA GLN A 768 -1.875 -1.296 2.043 1.00 0.00 C ATOM 671 C GLN A 768 -2.643 -2.214 3.003 1.00 0.00 C ATOM 672 O GLN A 768 -3.346 -3.135 2.574 1.00 0.00 O ATOM 673 CB GLN A 768 -2.253 -1.666 0.619 1.00 0.00 C ATOM 674 CG GLN A 768 -3.378 -0.857 0.001 1.00 0.00 C ATOM 675 CD GLN A 768 -4.028 -1.587 -1.151 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.241 -2.865 -0.973 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -4.454 -0.980 -2.131 1.00 0.00 N flip ATOM 0 H GLN A 768 0.141 -0.696 2.390 1.00 0.00 H new ATOM 0 HA GLN A 768 -2.108 -0.243 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.369 -1.562 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.536 -2.719 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.128 -0.637 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -2.988 0.099 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -4.267 0.017 -2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -4.995 -1.474 -2.841 1.00 0.00 H new ATOM 686 N GLU A 769 -2.509 -1.908 4.297 1.00 0.00 N ATOM 687 CA GLU A 769 -3.030 -2.671 5.481 1.00 0.00 C ATOM 688 C GLU A 769 -2.163 -2.387 6.735 1.00 0.00 C ATOM 689 O GLU A 769 -2.246 -3.103 7.722 1.00 0.00 O ATOM 690 CB GLU A 769 -3.159 -4.193 5.291 1.00 0.00 C ATOM 691 CG GLU A 769 -1.911 -4.894 4.755 1.00 0.00 C ATOM 692 CD GLU A 769 -1.820 -6.314 5.157 1.00 0.00 C ATOM 693 OE1 GLU A 769 -2.549 -7.145 4.603 1.00 0.00 O ATOM 694 OE2 GLU A 769 -1.032 -6.610 6.052 1.00 0.00 O ATOM 0 H GLU A 769 -2.004 -1.070 4.585 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.048 -2.303 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -3.424 -4.641 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.986 -4.388 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.906 -4.831 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -1.026 -4.366 5.109 1.00 0.00 H new ATOM 701 N LEU A 770 -1.433 -1.255 6.738 1.00 0.00 N ATOM 702 CA LEU A 770 -0.693 -0.859 7.923 1.00 0.00 C ATOM 703 C LEU A 770 -1.134 0.536 8.425 1.00 0.00 C ATOM 704 O LEU A 770 -1.206 1.540 7.661 1.00 0.00 O ATOM 705 CB LEU A 770 0.819 -0.890 7.679 1.00 0.00 C ATOM 706 CG LEU A 770 1.699 -0.649 8.915 1.00 0.00 C ATOM 707 CD1 LEU A 770 1.431 -1.691 9.985 1.00 0.00 C ATOM 708 CD2 LEU A 770 3.158 -0.676 8.536 1.00 0.00 C ATOM 0 H LEU A 770 -1.348 -0.619 5.945 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.923 -1.587 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.080 -1.859 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.063 -0.137 6.930 1.00 0.00 H new ATOM 0 HG LEU A 770 1.450 0.334 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 770 2.067 -1.497 10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 770 0.385 -1.642 10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 770 1.649 -2.683 9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 770 3.768 -0.504 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 770 3.405 -1.648 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 770 3.358 0.104 7.801 1.00 0.00 H new ATOM 720 N THR A 771 -1.429 0.594 9.691 1.00 0.00 N ATOM 721 CA THR A 771 -1.850 1.775 10.328 1.00 0.00 C ATOM 722 C THR A 771 -0.778 2.241 11.305 1.00 0.00 C ATOM 723 O THR A 771 -0.148 1.408 11.988 1.00 0.00 O ATOM 724 CB THR A 771 -3.208 1.524 11.029 1.00 0.00 C ATOM 725 OG1 THR A 771 -3.656 2.646 11.757 1.00 0.00 O ATOM 726 CG2 THR A 771 -3.233 0.307 11.938 1.00 0.00 C ATOM 0 H THR A 771 -1.377 -0.212 10.314 1.00 0.00 H new ATOM 0 HA THR A 771 -1.994 2.570 9.596 1.00 0.00 H new ATOM 0 HB THR A 771 -3.888 1.328 10.200 1.00 0.00 H new ATOM 0 HG1 THR A 771 -4.428 2.393 12.306 1.00 0.00 H new ATOM 0 HG21 THR A 771 -4.222 0.208 12.386 1.00 0.00 H new ATOM 0 HG22 THR A 771 -3.007 -0.587 11.356 1.00 0.00 H new ATOM 0 HG23 THR A 771 -2.488 0.425 12.725 1.00 0.00 H new ATOM 734 N GLU A 772 -0.593 3.562 11.368 1.00 0.00 N ATOM 735 CA GLU A 772 0.342 4.260 12.261 1.00 0.00 C ATOM 736 C GLU A 772 1.816 4.048 11.911 1.00 0.00 C ATOM 737 O GLU A 772 2.564 4.989 11.854 1.00 0.00 O ATOM 738 CB GLU A 772 0.078 3.922 13.748 1.00 0.00 C ATOM 739 CG GLU A 772 -1.375 4.134 14.195 1.00 0.00 C ATOM 740 CD GLU A 772 -1.837 5.537 14.023 1.00 0.00 C ATOM 741 OE1 GLU A 772 -2.239 5.901 12.913 1.00 0.00 O ATOM 742 OE2 GLU A 772 -1.808 6.291 14.997 1.00 0.00 O ATOM 0 H GLU A 772 -1.113 4.205 10.772 1.00 0.00 H new ATOM 0 HA GLU A 772 0.142 5.320 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 772 0.353 2.882 13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 772 0.730 4.536 14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -2.025 3.471 13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -1.472 3.851 15.243 1.00 0.00 H new ATOM 749 N HIS A 773 2.230 2.811 11.816 1.00 0.00 N ATOM 750 CA HIS A 773 3.644 2.464 11.644 1.00 0.00 C ATOM 751 C HIS A 773 4.265 2.926 10.336 1.00 0.00 C ATOM 752 O HIS A 773 5.421 3.296 10.323 1.00 0.00 O ATOM 753 CB HIS A 773 3.874 0.956 11.796 1.00 0.00 C ATOM 754 CG HIS A 773 3.527 0.406 13.139 1.00 0.00 C ATOM 755 ND1 HIS A 773 4.472 -0.023 14.036 1.00 0.00 N ATOM 756 CD2 HIS A 773 2.327 0.218 13.742 1.00 0.00 C ATOM 757 CE1 HIS A 773 3.876 -0.447 15.132 1.00 0.00 C ATOM 758 NE2 HIS A 773 2.571 -0.312 14.978 1.00 0.00 N ATOM 0 H HIS A 773 1.607 2.004 11.854 1.00 0.00 H new ATOM 0 HA HIS A 773 4.146 3.012 12.441 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.285 0.434 11.041 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.922 0.739 11.589 1.00 0.00 H new ATOM 0 HD2 HIS A 773 1.358 0.445 13.323 1.00 0.00 H new ATOM 0 HE1 HIS A 773 4.371 -0.839 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 773 1.862 -0.562 15.668 1.00 0.00 H new ATOM 767 N GLU A 774 3.553 2.792 9.241 1.00 0.00 N ATOM 768 CA GLU A 774 4.125 3.059 7.917 1.00 0.00 C ATOM 769 C GLU A 774 4.693 4.469 7.675 1.00 0.00 C ATOM 770 O GLU A 774 5.797 4.582 7.152 1.00 0.00 O ATOM 771 CB GLU A 774 3.217 2.559 6.774 1.00 0.00 C ATOM 772 CG GLU A 774 1.715 2.739 7.002 1.00 0.00 C ATOM 773 CD GLU A 774 1.314 4.154 7.181 1.00 0.00 C ATOM 774 OE1 GLU A 774 1.021 4.808 6.175 1.00 0.00 O ATOM 775 OE2 GLU A 774 1.297 4.618 8.328 1.00 0.00 O ATOM 0 H GLU A 774 2.576 2.500 9.228 1.00 0.00 H new ATOM 0 HA GLU A 774 5.029 2.451 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 774 3.493 3.082 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 774 3.418 1.500 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 774 1.173 2.320 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 774 1.418 2.170 7.883 1.00 0.00 H new ATOM 782 N HIS A 775 4.007 5.519 8.108 1.00 0.00 N ATOM 783 CA HIS A 775 4.517 6.877 7.924 1.00 0.00 C ATOM 784 C HIS A 775 5.674 7.120 8.853 1.00 0.00 C ATOM 785 O HIS A 775 6.637 7.831 8.518 1.00 0.00 O ATOM 786 CB HIS A 775 3.416 7.969 8.028 1.00 0.00 C ATOM 787 CG HIS A 775 2.743 8.136 9.362 1.00 0.00 C ATOM 788 ND1 HIS A 775 2.846 9.288 10.127 1.00 0.00 N ATOM 789 CD2 HIS A 775 1.941 7.304 10.052 1.00 0.00 C ATOM 790 CE1 HIS A 775 2.143 9.140 11.232 1.00 0.00 C ATOM 791 NE2 HIS A 775 1.584 7.946 11.210 1.00 0.00 N ATOM 0 H HIS A 775 3.107 5.462 8.584 1.00 0.00 H new ATOM 0 HA HIS A 775 4.881 6.958 6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 775 3.860 8.925 7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.648 7.747 7.287 1.00 0.00 H new ATOM 0 HD1 HIS A 775 3.381 10.119 9.874 1.00 0.00 H new ATOM 0 HD2 HIS A 775 1.635 6.313 9.749 1.00 0.00 H new ATOM 0 HE1 HIS A 775 2.042 9.871 12.020 1.00 0.00 H new ATOM 800 N GLN A 776 5.596 6.473 9.999 1.00 0.00 N ATOM 801 CA GLN A 776 6.631 6.512 10.994 1.00 0.00 C ATOM 802 C GLN A 776 7.926 5.876 10.480 1.00 0.00 C ATOM 803 O GLN A 776 8.991 6.409 10.708 1.00 0.00 O ATOM 804 CB GLN A 776 6.172 5.778 12.230 1.00 0.00 C ATOM 805 CG GLN A 776 4.986 6.383 12.948 1.00 0.00 C ATOM 806 CD GLN A 776 4.578 5.545 14.143 1.00 0.00 C ATOM 807 OE1 GLN A 776 4.785 4.321 14.157 1.00 0.00 O ATOM 808 NE2 GLN A 776 3.980 6.165 15.123 1.00 0.00 N ATOM 0 H GLN A 776 4.796 5.898 10.262 1.00 0.00 H new ATOM 0 HA GLN A 776 6.833 7.557 11.229 1.00 0.00 H new ATOM 0 HB2 GLN A 776 5.921 4.755 11.951 1.00 0.00 H new ATOM 0 HB3 GLN A 776 7.007 5.722 12.929 1.00 0.00 H new ATOM 0 HG2 GLN A 776 5.234 7.392 13.277 1.00 0.00 H new ATOM 0 HG3 GLN A 776 4.146 6.469 12.258 1.00 0.00 H new ATOM 0 HE21 GLN A 776 3.829 7.173 15.073 1.00 0.00 H new ATOM 0 HE22 GLN A 776 3.663 5.642 15.940 1.00 0.00 H new ATOM 817 N GLN A 777 7.825 4.727 9.788 1.00 0.00 N ATOM 818 CA GLN A 777 9.012 4.037 9.270 1.00 0.00 C ATOM 819 C GLN A 777 9.633 4.812 8.122 1.00 0.00 C ATOM 820 O GLN A 777 10.854 4.842 7.976 1.00 0.00 O ATOM 821 CB GLN A 777 8.621 2.671 8.796 1.00 0.00 C ATOM 822 CG GLN A 777 7.975 1.821 9.870 1.00 0.00 C ATOM 823 CD GLN A 777 7.173 0.693 9.303 1.00 0.00 C ATOM 824 OE1 GLN A 777 6.608 0.910 8.139 1.00 0.00 O flip ATOM 825 NE2 GLN A 777 7.045 -0.363 9.915 1.00 0.00 N flip ATOM 0 H GLN A 777 6.941 4.263 9.578 1.00 0.00 H new ATOM 0 HA GLN A 777 9.747 3.960 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 777 7.931 2.770 7.958 1.00 0.00 H new ATOM 0 HB3 GLN A 777 9.507 2.158 8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 777 8.748 1.419 10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 777 7.330 2.448 10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 777 7.503 -0.488 10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 777 6.481 -1.116 9.521 1.00 0.00 H new ATOM 834 N MET A 778 8.786 5.444 7.306 1.00 0.00 N ATOM 835 CA MET A 778 9.261 6.257 6.186 1.00 0.00 C ATOM 836 C MET A 778 10.011 7.463 6.717 1.00 0.00 C ATOM 837 O MET A 778 10.922 7.973 6.074 1.00 0.00 O ATOM 838 CB MET A 778 8.092 6.761 5.328 1.00 0.00 C ATOM 839 CG MET A 778 7.254 5.677 4.685 1.00 0.00 C ATOM 840 SD MET A 778 5.876 6.344 3.731 1.00 0.00 S ATOM 841 CE MET A 778 6.743 7.327 2.509 1.00 0.00 C ATOM 0 H MET A 778 7.771 5.408 7.400 1.00 0.00 H new ATOM 0 HA MET A 778 9.911 5.632 5.574 1.00 0.00 H new ATOM 0 HB2 MET A 778 7.444 7.378 5.951 1.00 0.00 H new ATOM 0 HB3 MET A 778 8.489 7.406 4.544 1.00 0.00 H new ATOM 0 HG2 MET A 778 7.885 5.073 4.033 1.00 0.00 H new ATOM 0 HG3 MET A 778 6.868 5.013 5.459 1.00 0.00 H new ATOM 0 HE1 MET A 778 6.066 7.568 1.689 1.00 0.00 H new ATOM 0 HE2 MET A 778 7.098 8.249 2.969 1.00 0.00 H new ATOM 0 HE3 MET A 778 7.593 6.763 2.125 1.00 0.00 H new ATOM 851 N ARG A 779 9.536 7.961 7.867 1.00 0.00 N ATOM 852 CA ARG A 779 10.051 9.161 8.523 1.00 0.00 C ATOM 853 C ARG A 779 9.834 10.403 7.685 1.00 0.00 C ATOM 854 O ARG A 779 10.426 11.450 7.929 1.00 0.00 O ATOM 855 CB ARG A 779 11.506 9.006 8.992 1.00 0.00 C ATOM 856 CG ARG A 779 11.649 7.943 10.062 1.00 0.00 C ATOM 857 CD ARG A 779 13.068 7.788 10.567 1.00 0.00 C ATOM 858 NE ARG A 779 13.121 6.772 11.618 1.00 0.00 N ATOM 859 CZ ARG A 779 14.232 6.303 12.178 1.00 0.00 C ATOM 860 NH1 ARG A 779 15.410 6.751 11.775 1.00 0.00 N ATOM 861 NH2 ARG A 779 14.148 5.387 13.134 1.00 0.00 N ATOM 0 H ARG A 779 8.765 7.527 8.375 1.00 0.00 H new ATOM 0 HA ARG A 779 9.463 9.293 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 779 12.136 8.749 8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 779 11.866 9.960 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 779 10.998 8.191 10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 779 11.306 6.988 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 779 13.726 7.506 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 779 13.431 8.741 10.953 1.00 0.00 H new ATOM 0 HE ARG A 779 12.234 6.393 11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 779 15.463 7.454 11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 779 16.265 6.394 12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 779 13.235 5.047 13.435 1.00 0.00 H new ATOM 0 HH22 ARG A 779 14.997 5.023 13.568 1.00 0.00 H new ATOM 875 N ASP A 780 8.904 10.300 6.752 1.00 0.00 N ATOM 876 CA ASP A 780 8.530 11.421 5.935 1.00 0.00 C ATOM 877 C ASP A 780 7.662 12.332 6.748 1.00 0.00 C ATOM 878 O ASP A 780 8.005 13.470 6.983 1.00 0.00 O ATOM 879 CB ASP A 780 7.768 10.967 4.686 1.00 0.00 C ATOM 880 CG ASP A 780 7.409 12.119 3.809 1.00 0.00 C ATOM 881 OD1 ASP A 780 6.352 12.712 4.010 1.00 0.00 O ATOM 882 OD2 ASP A 780 8.196 12.445 2.919 1.00 0.00 O ATOM 0 H ASP A 780 8.395 9.440 6.547 1.00 0.00 H new ATOM 0 HA ASP A 780 9.432 11.939 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 780 8.378 10.259 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 780 6.861 10.440 4.984 1.00 0.00 H new ATOM 887 N ASP A 781 6.537 11.794 7.178 1.00 0.00 N ATOM 888 CA ASP A 781 5.563 12.527 7.972 1.00 0.00 C ATOM 889 C ASP A 781 6.009 12.660 9.428 1.00 0.00 C ATOM 890 O ASP A 781 5.752 13.678 10.077 1.00 0.00 O ATOM 891 CB ASP A 781 4.218 11.818 7.898 1.00 0.00 C ATOM 892 CG ASP A 781 3.156 12.532 8.644 1.00 0.00 C ATOM 893 OD1 ASP A 781 2.605 13.483 8.106 1.00 0.00 O ATOM 894 OD2 ASP A 781 2.847 12.127 9.767 1.00 0.00 O ATOM 0 H ASP A 781 6.269 10.829 6.986 1.00 0.00 H new ATOM 0 HA ASP A 781 5.474 13.534 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 781 3.920 11.720 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 781 4.321 10.809 8.297 1.00 0.00 H new ATOM 899 N LEU A 782 6.665 11.619 9.938 1.00 0.00 N ATOM 900 CA LEU A 782 7.135 11.598 11.332 1.00 0.00 C ATOM 901 C LEU A 782 8.103 12.747 11.615 1.00 0.00 C ATOM 902 O LEU A 782 7.917 13.503 12.568 1.00 0.00 O ATOM 903 CB LEU A 782 7.807 10.259 11.658 1.00 0.00 C ATOM 904 CG LEU A 782 8.287 10.069 13.107 1.00 0.00 C ATOM 905 CD1 LEU A 782 7.128 10.114 14.088 1.00 0.00 C ATOM 906 CD2 LEU A 782 9.045 8.768 13.256 1.00 0.00 C ATOM 0 H LEU A 782 6.886 10.775 9.410 1.00 0.00 H new ATOM 0 HA LEU A 782 6.261 11.723 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 782 7.105 9.459 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 782 8.664 10.137 10.996 1.00 0.00 H new ATOM 0 HG LEU A 782 8.959 10.896 13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 782 7.504 9.976 15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 782 6.627 11.079 14.015 1.00 0.00 H new ATOM 0 HD13 LEU A 782 6.421 9.319 13.852 1.00 0.00 H new ATOM 0 HD21 LEU A 782 9.375 8.655 14.289 1.00 0.00 H new ATOM 0 HD22 LEU A 782 8.394 7.935 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 782 9.913 8.775 12.597 1.00 0.00 H new ATOM 918 N GLU A 783 9.127 12.874 10.793 1.00 0.00 N ATOM 919 CA GLU A 783 10.124 13.923 10.975 1.00 0.00 C ATOM 920 C GLU A 783 9.710 15.225 10.276 1.00 0.00 C ATOM 921 O GLU A 783 10.446 16.193 10.290 1.00 0.00 O ATOM 922 CB GLU A 783 11.485 13.449 10.440 1.00 0.00 C ATOM 923 CG GLU A 783 12.008 12.165 11.085 1.00 0.00 C ATOM 924 CD GLU A 783 12.327 12.331 12.533 1.00 0.00 C ATOM 925 OE1 GLU A 783 11.437 12.157 13.363 1.00 0.00 O ATOM 926 OE2 GLU A 783 13.479 12.635 12.856 1.00 0.00 O ATOM 0 H GLU A 783 9.294 12.266 9.991 1.00 0.00 H new ATOM 0 HA GLU A 783 10.202 14.129 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 783 11.404 13.293 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 783 12.217 14.242 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 783 11.263 11.377 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 783 12.903 11.837 10.556 1.00 0.00 H new ATOM 933 N LYS A 784 8.551 15.226 9.645 1.00 0.00 N ATOM 934 CA LYS A 784 8.074 16.397 8.904 1.00 0.00 C ATOM 935 C LYS A 784 7.654 17.502 9.855 1.00 0.00 C ATOM 936 O LYS A 784 6.920 17.250 10.825 1.00 0.00 O ATOM 937 CB LYS A 784 6.849 16.014 8.063 1.00 0.00 C ATOM 938 CG LYS A 784 6.371 17.064 7.047 1.00 0.00 C ATOM 939 CD LYS A 784 7.312 17.202 5.844 1.00 0.00 C ATOM 940 CE LYS A 784 7.452 15.880 5.067 1.00 0.00 C ATOM 941 NZ LYS A 784 6.134 15.298 4.687 1.00 0.00 N ATOM 0 H LYS A 784 7.914 14.429 9.626 1.00 0.00 H new ATOM 0 HA LYS A 784 8.889 16.745 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 784 7.077 15.094 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 784 6.024 15.791 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 784 5.376 16.794 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 784 6.282 18.030 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 784 6.936 17.977 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 784 8.294 17.527 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 784 8.042 16.052 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 784 8.001 15.161 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 6.284 14.456 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 5.613 15.029 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 5.584 16.002 4.155 1.00 0.00 H new ATOM 955 N GLU A 785 7.969 18.733 9.492 1.00 0.00 N ATOM 956 CA GLU A 785 7.463 19.870 10.220 1.00 0.00 C ATOM 957 C GLU A 785 6.068 20.193 9.703 1.00 0.00 C ATOM 958 O GLU A 785 5.912 20.968 8.767 1.00 0.00 O ATOM 959 CB GLU A 785 8.357 21.126 10.081 1.00 0.00 C ATOM 960 CG GLU A 785 9.732 21.094 10.764 1.00 0.00 C ATOM 961 CD GLU A 785 10.694 20.133 10.167 1.00 0.00 C ATOM 962 OE1 GLU A 785 11.092 20.338 9.028 1.00 0.00 O ATOM 963 OE2 GLU A 785 11.054 19.181 10.831 1.00 0.00 O ATOM 0 H GLU A 785 8.570 18.964 8.701 1.00 0.00 H new ATOM 0 HA GLU A 785 7.449 19.604 11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 785 8.513 21.312 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 785 7.804 21.978 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 785 10.166 22.093 10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 785 9.595 20.845 11.816 1.00 0.00 H new ATOM 970 N ARG A 786 5.061 19.564 10.277 1.00 0.00 N ATOM 971 CA ARG A 786 3.678 19.793 9.854 1.00 0.00 C ATOM 972 C ARG A 786 3.116 21.027 10.537 1.00 0.00 C ATOM 973 O ARG A 786 2.055 21.526 10.177 1.00 0.00 O ATOM 974 CB ARG A 786 2.802 18.574 10.164 1.00 0.00 C ATOM 975 CG ARG A 786 3.196 17.317 9.395 1.00 0.00 C ATOM 976 CD ARG A 786 2.365 16.108 9.822 1.00 0.00 C ATOM 977 NE ARG A 786 0.919 16.339 9.700 1.00 0.00 N ATOM 978 CZ ARG A 786 -0.003 15.362 9.717 1.00 0.00 C ATOM 979 NH1 ARG A 786 0.377 14.096 9.680 1.00 0.00 N ATOM 980 NH2 ARG A 786 -1.287 15.664 9.711 1.00 0.00 N ATOM 0 H ARG A 786 5.166 18.891 11.036 1.00 0.00 H new ATOM 0 HA ARG A 786 3.675 19.952 8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 786 2.853 18.365 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 786 1.764 18.817 9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 786 3.066 17.489 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 786 4.253 17.107 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 786 2.644 15.248 9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 786 2.602 15.857 10.856 1.00 0.00 H new ATOM 0 HE ARG A 786 0.595 17.301 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 786 1.369 13.862 9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 786 -0.322 13.353 9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 786 -1.581 16.641 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 786 -1.986 14.921 9.724 1.00 0.00 H new ATOM 994 N GLU A 787 3.826 21.494 11.537 1.00 0.00 N ATOM 995 CA GLU A 787 3.407 22.642 12.294 1.00 0.00 C ATOM 996 C GLU A 787 4.085 23.899 11.764 1.00 0.00 C ATOM 997 O GLU A 787 3.429 24.913 11.531 1.00 0.00 O ATOM 998 CB GLU A 787 3.723 22.409 13.767 1.00 0.00 C ATOM 999 CG GLU A 787 3.172 21.081 14.272 1.00 0.00 C ATOM 1000 CD GLU A 787 3.409 20.868 15.714 1.00 0.00 C ATOM 1001 OE1 GLU A 787 4.486 20.392 16.069 1.00 0.00 O ATOM 1002 OE2 GLU A 787 2.513 21.183 16.503 1.00 0.00 O ATOM 0 H GLU A 787 4.709 21.087 11.846 1.00 0.00 H new ATOM 0 HA GLU A 787 2.332 22.786 12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 787 4.803 22.431 13.913 1.00 0.00 H new ATOM 0 HB3 GLU A 787 3.305 23.223 14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 787 2.101 21.041 14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 787 3.630 20.267 13.710 1.00 0.00 H new ATOM 1009 N ASP A 788 5.386 23.800 11.503 1.00 0.00 N ATOM 1010 CA ASP A 788 6.140 24.909 10.925 1.00 0.00 C ATOM 1011 C ASP A 788 5.917 24.949 9.426 1.00 0.00 C ATOM 1012 O ASP A 788 6.062 23.929 8.744 1.00 0.00 O ATOM 1013 CB ASP A 788 7.642 24.780 11.232 1.00 0.00 C ATOM 1014 CG ASP A 788 8.446 25.912 10.676 1.00 0.00 C ATOM 1015 OD1 ASP A 788 8.389 27.007 11.232 1.00 0.00 O ATOM 1016 OD2 ASP A 788 9.141 25.712 9.681 1.00 0.00 O ATOM 0 H ASP A 788 5.940 22.963 11.683 1.00 0.00 H new ATOM 0 HA ASP A 788 5.784 25.837 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 788 7.785 24.735 12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 788 8.013 23.841 10.822 1.00 0.00 H new ATOM 1021 N LEU A 789 5.546 26.101 8.914 1.00 0.00 N ATOM 1022 CA LEU A 789 5.298 26.241 7.495 1.00 0.00 C ATOM 1023 C LEU A 789 6.535 26.705 6.749 1.00 0.00 C ATOM 1024 O LEU A 789 7.396 27.383 7.308 1.00 0.00 O ATOM 1025 CB LEU A 789 4.052 27.139 7.212 1.00 0.00 C ATOM 1026 CG LEU A 789 3.941 28.515 7.943 1.00 0.00 C ATOM 1027 CD1 LEU A 789 5.022 29.499 7.533 1.00 0.00 C ATOM 1028 CD2 LEU A 789 2.578 29.130 7.709 1.00 0.00 C ATOM 0 H LEU A 789 5.409 26.954 9.457 1.00 0.00 H new ATOM 0 HA LEU A 789 5.060 25.251 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 789 4.018 27.330 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 789 3.163 26.559 7.460 1.00 0.00 H new ATOM 0 HG LEU A 789 4.081 28.309 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 789 4.888 30.434 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 789 6.002 29.081 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 789 4.954 29.689 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 789 2.518 30.088 8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 789 2.427 29.283 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 789 1.807 28.462 8.093 1.00 0.00 H new ATOM 1040 N ASP A 790 6.617 26.369 5.484 1.00 0.00 N ATOM 1041 CA ASP A 790 7.730 26.817 4.651 1.00 0.00 C ATOM 1042 C ASP A 790 7.377 28.162 4.073 1.00 0.00 C ATOM 1043 O ASP A 790 7.876 29.196 4.510 1.00 0.00 O ATOM 1044 CB ASP A 790 8.025 25.802 3.537 1.00 0.00 C ATOM 1045 CG ASP A 790 9.115 26.253 2.623 1.00 0.00 C ATOM 1046 OD1 ASP A 790 10.280 26.230 3.031 1.00 0.00 O ATOM 1047 OD2 ASP A 790 8.814 26.600 1.478 1.00 0.00 O ATOM 0 H ASP A 790 5.932 25.788 5.001 1.00 0.00 H new ATOM 0 HA ASP A 790 8.633 26.901 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 790 8.303 24.848 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 790 7.118 25.630 2.958 1.00 0.00 H new ATOM 1052 N LEU A 791 6.457 28.143 3.160 1.00 0.00 N ATOM 1053 CA LEU A 791 5.920 29.321 2.563 1.00 0.00 C ATOM 1054 C LEU A 791 4.493 28.969 2.246 1.00 0.00 C ATOM 1055 O LEU A 791 3.575 29.444 2.910 1.00 0.00 O ATOM 1056 CB LEU A 791 6.719 29.652 1.291 1.00 0.00 C ATOM 1057 CG LEU A 791 6.523 31.034 0.621 1.00 0.00 C ATOM 1058 CD1 LEU A 791 7.482 31.170 -0.523 1.00 0.00 C ATOM 1059 CD2 LEU A 791 5.113 31.248 0.103 1.00 0.00 C ATOM 0 H LEU A 791 6.048 27.281 2.800 1.00 0.00 H new ATOM 0 HA LEU A 791 5.975 30.199 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 791 7.777 29.550 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 791 6.485 28.890 0.548 1.00 0.00 H new ATOM 0 HG LEU A 791 6.709 31.787 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 791 7.347 32.142 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 791 8.504 31.086 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 791 7.293 30.381 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 791 5.039 32.234 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 791 4.878 30.485 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 791 4.407 31.179 0.931 1.00 0.00 H new ATOM 1071 N ASP A 792 4.359 28.021 1.294 1.00 0.00 N ATOM 1072 CA ASP A 792 3.099 27.406 0.846 1.00 0.00 C ATOM 1073 C ASP A 792 1.893 28.310 0.921 1.00 0.00 C ATOM 1074 O ASP A 792 0.945 28.044 1.676 1.00 0.00 O ATOM 1075 CB ASP A 792 2.850 26.067 1.550 1.00 0.00 C ATOM 1076 CG ASP A 792 3.793 25.000 1.096 1.00 0.00 C ATOM 1077 OD1 ASP A 792 4.945 24.963 1.576 1.00 0.00 O ATOM 1078 OD2 ASP A 792 3.399 24.203 0.243 1.00 0.00 O ATOM 0 H ASP A 792 5.167 27.649 0.795 1.00 0.00 H new ATOM 0 HA ASP A 792 3.237 27.218 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 792 2.950 26.202 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 792 1.825 25.746 1.363 1.00 0.00 H new ATOM 1083 N HIS A 793 1.898 29.321 0.094 1.00 0.00 N ATOM 1084 CA HIS A 793 0.788 30.225 -0.027 1.00 0.00 C ATOM 1085 C HIS A 793 0.459 30.328 -1.503 1.00 0.00 C ATOM 1086 O HIS A 793 1.079 31.106 -2.235 1.00 0.00 O ATOM 1087 CB HIS A 793 1.134 31.605 0.565 1.00 0.00 C ATOM 1088 CG HIS A 793 -0.002 32.581 0.548 1.00 0.00 C ATOM 1089 ND1 HIS A 793 0.138 33.883 0.129 1.00 0.00 N ATOM 1090 CD2 HIS A 793 -1.308 32.436 0.891 1.00 0.00 C ATOM 1091 CE1 HIS A 793 -1.028 34.498 0.210 1.00 0.00 C ATOM 1092 NE2 HIS A 793 -1.923 33.643 0.671 1.00 0.00 N ATOM 0 H HIS A 793 2.682 29.542 -0.521 1.00 0.00 H new ATOM 0 HA HIS A 793 -0.073 29.856 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 793 1.470 31.473 1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 793 1.970 32.028 0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 793 -1.776 31.538 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 793 -1.218 35.527 -0.056 1.00 0.00 H new ATOM 0 HE2 HIS A 793 -2.909 33.846 0.836 1.00 0.00 H new ATOM 1101 N SER A 794 -0.428 29.460 -1.948 1.00 0.00 N ATOM 1102 CA SER A 794 -0.773 29.321 -3.358 1.00 0.00 C ATOM 1103 C SER A 794 -1.583 30.490 -3.924 1.00 0.00 C ATOM 1104 O SER A 794 -1.786 30.563 -5.135 1.00 0.00 O ATOM 1105 CB SER A 794 -1.509 28.011 -3.580 1.00 0.00 C ATOM 1106 OG SER A 794 -0.719 26.890 -3.161 1.00 0.00 O ATOM 0 H SER A 794 -0.938 28.822 -1.337 1.00 0.00 H new ATOM 0 HA SER A 794 0.170 29.325 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 794 -2.449 28.022 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 794 -1.760 27.907 -4.636 1.00 0.00 H new ATOM 0 HG SER A 794 -1.219 26.062 -3.314 1.00 0.00 H new ATOM 1112 N SER A 795 -2.030 31.401 -3.079 1.00 0.00 N ATOM 1113 CA SER A 795 -2.788 32.551 -3.557 1.00 0.00 C ATOM 1114 C SER A 795 -1.886 33.538 -4.306 1.00 0.00 C ATOM 1115 O SER A 795 -2.338 34.237 -5.214 1.00 0.00 O ATOM 1116 CB SER A 795 -3.487 33.248 -2.403 1.00 0.00 C ATOM 1117 OG SER A 795 -4.336 32.340 -1.707 1.00 0.00 O ATOM 0 H SER A 795 -1.886 31.372 -2.070 1.00 0.00 H new ATOM 0 HA SER A 795 -3.542 32.185 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 795 -2.746 33.659 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 795 -4.073 34.086 -2.779 1.00 0.00 H new ATOM 0 HG SER A 795 -4.776 32.806 -0.966 1.00 0.00 H new ATOM 1123 N LEU A 796 -0.610 33.553 -3.964 1.00 0.00 N ATOM 1124 CA LEU A 796 0.340 34.423 -4.628 1.00 0.00 C ATOM 1125 C LEU A 796 1.453 33.610 -5.236 1.00 0.00 C ATOM 1126 CB LEU A 796 0.914 35.448 -3.648 1.00 0.00 C ATOM 1127 CG LEU A 796 -0.097 36.405 -3.014 1.00 0.00 C ATOM 1128 CD1 LEU A 796 0.581 37.321 -2.025 1.00 0.00 C ATOM 1129 CD2 LEU A 796 -0.800 37.225 -4.082 1.00 0.00 C ATOM 0 H LEU A 796 -0.209 32.971 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 796 -0.183 34.959 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 796 1.427 34.911 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 796 1.667 36.039 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 796 -0.839 35.808 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 796 -0.157 37.993 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 796 1.044 36.727 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 796 1.346 37.906 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 796 -1.515 37.899 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 796 -0.064 37.807 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 796 -1.326 36.558 -4.765 1.00 0.00 H new TER 1141 LEU A 796