USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 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 775 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=-0.35) USER MOD Set 1.2: A 778 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 728 SER OG : rot -160:sc= 0.131 USER MOD Single : A 731 GLN :FLIP amide:sc= -8.31! C(o=-11!,f=-8.3!) USER MOD Single : A 735 LYS NZ :NH3+ -126:sc= 1.22 (180deg=-0.944) USER MOD Single : A 737 ASN :FLIP amide:sc= -3.92! C(o=-9.8!,f=-3.9!) USER MOD Single : A 743 GLN : amide:sc= -5.79! C(o=-5.8!,f=-9.8!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ 150:sc= -0.103 (180deg=-0.513) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 79:sc= 0.0618 USER MOD Single : A 760 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 768 GLN :FLIP amide:sc= -2.92! C(o=-4.4!,f=-2.9!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 773 HIS : no HD1:sc= -0.484 K(o=-0.48,f=-1.4) USER MOD Single : A 776 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.2!) USER MOD Single : A 777 GLN :FLIP amide:sc= -2.35! C(o=-5.7!,f=-2.3!) USER MOD Single : A 784 LYS NZ :NH3+ -106:sc= -0.175 (180deg=-5.2!) USER MOD Single : A 793 HIS : no HD1:sc=-0.000374 X(o=-0.00037,f=-0.00037) USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 104:sc= 0.0141 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 724 -3.804 8.246 -7.014 1.00 0.00 N ATOM 2 CA ASP A 724 -2.328 8.226 -7.047 1.00 0.00 C ATOM 3 C ASP A 724 -1.792 8.965 -5.836 1.00 0.00 C ATOM 4 O ASP A 724 -1.127 8.375 -4.986 1.00 0.00 O ATOM 5 CB ASP A 724 -1.814 8.956 -8.288 1.00 0.00 C ATOM 6 CG ASP A 724 -2.507 8.571 -9.528 1.00 0.00 C ATOM 7 OD1 ASP A 724 -2.444 7.406 -9.915 1.00 0.00 O ATOM 8 OD2 ASP A 724 -3.127 9.443 -10.125 1.00 0.00 O ATOM 0 HA ASP A 724 -1.999 7.187 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -1.924 10.030 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -0.748 8.757 -8.401 1.00 0.00 H new ATOM 12 N ILE A 725 -2.187 10.247 -5.690 1.00 0.00 N ATOM 13 CA ILE A 725 -1.839 11.016 -4.496 1.00 0.00 C ATOM 14 C ILE A 725 -2.669 10.548 -3.320 1.00 0.00 C ATOM 15 O ILE A 725 -2.227 10.624 -2.175 1.00 0.00 O ATOM 16 CB ILE A 725 -1.967 12.567 -4.676 1.00 0.00 C ATOM 17 CG1 ILE A 725 -3.383 12.995 -5.075 1.00 0.00 C ATOM 18 CG2 ILE A 725 -0.968 13.070 -5.700 1.00 0.00 C ATOM 19 CD1 ILE A 725 -3.555 14.488 -5.206 1.00 0.00 C ATOM 0 H ILE A 725 -2.739 10.758 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 725 -0.782 10.827 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 725 -1.750 13.015 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 725 -3.641 12.525 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 725 -4.088 12.621 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 725 -1.073 14.149 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 725 0.043 12.836 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 725 -1.155 12.587 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 725 -4.583 14.712 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 725 -3.330 14.965 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 725 -2.876 14.867 -5.970 1.00 0.00 H new ATOM 31 N SER A 726 -3.907 10.113 -3.654 1.00 0.00 N ATOM 32 CA SER A 726 -4.932 9.647 -2.722 1.00 0.00 C ATOM 33 C SER A 726 -5.673 10.829 -2.114 1.00 0.00 C ATOM 34 O SER A 726 -5.063 11.763 -1.589 1.00 0.00 O ATOM 35 CB SER A 726 -4.357 8.721 -1.645 1.00 0.00 C ATOM 36 OG SER A 726 -3.639 7.639 -2.245 1.00 0.00 O ATOM 0 H SER A 726 -4.221 10.080 -4.624 1.00 0.00 H new ATOM 0 HA SER A 726 -5.648 9.050 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 726 -3.694 9.285 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 726 -5.164 8.330 -1.025 1.00 0.00 H new ATOM 0 HG SER A 726 -3.277 7.058 -1.544 1.00 0.00 H new ATOM 42 N GLU A 727 -6.981 10.815 -2.219 1.00 0.00 N ATOM 43 CA GLU A 727 -7.770 11.898 -1.706 1.00 0.00 C ATOM 44 C GLU A 727 -8.933 11.388 -0.883 1.00 0.00 C ATOM 45 O GLU A 727 -9.964 10.955 -1.420 1.00 0.00 O ATOM 46 CB GLU A 727 -8.253 12.828 -2.839 1.00 0.00 C ATOM 47 CG GLU A 727 -9.049 14.046 -2.371 1.00 0.00 C ATOM 48 CD GLU A 727 -8.287 14.918 -1.440 1.00 0.00 C ATOM 49 OE1 GLU A 727 -7.583 15.818 -1.902 1.00 0.00 O ATOM 50 OE2 GLU A 727 -8.393 14.719 -0.231 1.00 0.00 O ATOM 0 H GLU A 727 -7.516 10.064 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 727 -7.131 12.486 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 727 -7.386 13.173 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 727 -8.870 12.250 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 727 -9.352 14.630 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 727 -9.961 13.709 -1.879 1.00 0.00 H new ATOM 57 N SER A 728 -8.792 11.525 0.403 1.00 0.00 N ATOM 58 CA SER A 728 -9.820 11.199 1.350 1.00 0.00 C ATOM 59 C SER A 728 -9.512 11.884 2.673 1.00 0.00 C ATOM 60 O SER A 728 -9.773 13.083 2.826 1.00 0.00 O ATOM 61 CB SER A 728 -10.020 9.672 1.488 1.00 0.00 C ATOM 62 OG SER A 728 -8.790 8.986 1.715 1.00 0.00 O ATOM 0 H SER A 728 -7.937 11.876 0.834 1.00 0.00 H new ATOM 0 HA SER A 728 -10.777 11.575 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 728 -10.704 9.470 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 728 -10.488 9.285 0.583 1.00 0.00 H new ATOM 0 HG SER A 728 -8.896 8.039 1.484 1.00 0.00 H new ATOM 68 N LEU A 729 -8.856 11.180 3.577 1.00 0.00 N ATOM 69 CA LEU A 729 -8.423 11.768 4.845 1.00 0.00 C ATOM 70 C LEU A 729 -7.227 11.033 5.453 1.00 0.00 C ATOM 71 O LEU A 729 -6.102 11.274 5.061 1.00 0.00 O ATOM 72 CB LEU A 729 -9.587 12.006 5.882 1.00 0.00 C ATOM 73 CG LEU A 729 -10.595 10.862 6.203 1.00 0.00 C ATOM 74 CD1 LEU A 729 -11.357 11.196 7.462 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.608 10.680 5.084 1.00 0.00 C ATOM 0 H LEU A 729 -8.608 10.197 3.462 1.00 0.00 H new ATOM 0 HA LEU A 729 -8.078 12.769 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -9.126 12.304 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -10.167 12.858 5.527 1.00 0.00 H new ATOM 0 HG LEU A 729 -10.019 9.944 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -12.061 10.394 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -10.659 11.306 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -11.902 12.129 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.295 9.874 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -12.169 11.605 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -11.088 10.431 4.159 1.00 0.00 H new ATOM 87 N ARG A 730 -7.484 10.122 6.377 1.00 0.00 N ATOM 88 CA ARG A 730 -6.453 9.320 7.054 1.00 0.00 C ATOM 89 C ARG A 730 -5.729 8.391 6.070 1.00 0.00 C ATOM 90 O ARG A 730 -4.535 8.110 6.208 1.00 0.00 O ATOM 91 CB ARG A 730 -7.098 8.520 8.215 1.00 0.00 C ATOM 92 CG ARG A 730 -8.606 8.764 8.370 1.00 0.00 C ATOM 93 CD ARG A 730 -9.219 8.106 9.613 1.00 0.00 C ATOM 94 NE ARG A 730 -9.152 6.642 9.600 1.00 0.00 N ATOM 95 CZ ARG A 730 -9.903 5.847 10.389 1.00 0.00 C ATOM 96 NH1 ARG A 730 -10.783 6.381 11.216 1.00 0.00 N ATOM 97 NH2 ARG A 730 -9.775 4.540 10.318 1.00 0.00 N ATOM 0 H ARG A 730 -8.431 9.908 6.691 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.700 9.992 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -6.926 7.456 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -6.599 8.783 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -8.788 9.838 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -9.118 8.389 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -8.705 8.476 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -10.262 8.412 9.698 1.00 0.00 H new ATOM 0 HE ARG A 730 -8.498 6.198 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -10.894 7.394 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -11.351 5.780 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -9.108 4.128 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -10.343 3.939 10.915 1.00 0.00 H new ATOM 111 N GLN A 731 -6.459 7.961 5.069 1.00 0.00 N ATOM 112 CA GLN A 731 -5.922 7.132 3.992 1.00 0.00 C ATOM 113 C GLN A 731 -5.345 8.016 2.913 1.00 0.00 C ATOM 114 O GLN A 731 -4.306 7.716 2.323 1.00 0.00 O ATOM 115 CB GLN A 731 -7.018 6.230 3.417 1.00 0.00 C ATOM 116 CG GLN A 731 -6.579 5.302 2.273 1.00 0.00 C ATOM 117 CD GLN A 731 -5.410 4.412 2.623 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.365 3.980 3.844 1.00 0.00 O flip ATOM 119 NE2 GLN A 731 -4.599 4.071 1.775 1.00 0.00 N flip ATOM 0 H GLN A 731 -7.452 8.173 4.969 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.132 6.496 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -7.421 5.618 4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -7.832 6.860 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.423 4.678 1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.315 5.909 1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -4.671 4.435 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -3.850 3.422 2.017 1.00 0.00 H new ATOM 128 N GLY A 732 -6.078 9.083 2.629 1.00 0.00 N ATOM 129 CA GLY A 732 -5.702 10.031 1.602 1.00 0.00 C ATOM 130 C GLY A 732 -4.387 10.674 1.897 1.00 0.00 C ATOM 131 O GLY A 732 -3.596 10.925 1.005 1.00 0.00 O ATOM 0 H GLY A 732 -6.950 9.312 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.650 9.523 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.471 10.799 1.516 1.00 0.00 H new ATOM 135 N GLY A 733 -4.126 10.875 3.153 1.00 0.00 N ATOM 136 CA GLY A 733 -2.865 11.431 3.549 1.00 0.00 C ATOM 137 C GLY A 733 -2.433 10.874 4.851 1.00 0.00 C ATOM 138 O GLY A 733 -2.755 11.424 5.892 1.00 0.00 O ATOM 0 H GLY A 733 -4.765 10.664 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.113 11.218 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -2.947 12.516 3.621 1.00 0.00 H new ATOM 142 N GLY A 734 -1.750 9.759 4.822 1.00 0.00 N ATOM 143 CA GLY A 734 -1.339 9.161 6.055 1.00 0.00 C ATOM 144 C GLY A 734 -0.656 7.840 5.875 1.00 0.00 C ATOM 145 O GLY A 734 0.541 7.793 5.615 1.00 0.00 O ATOM 0 H GLY A 734 -1.474 9.260 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -0.665 9.843 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -2.212 9.027 6.694 1.00 0.00 H new ATOM 149 N LYS A 735 -1.401 6.775 6.037 1.00 0.00 N ATOM 150 CA LYS A 735 -0.863 5.425 5.963 1.00 0.00 C ATOM 151 C LYS A 735 -1.730 4.591 5.066 1.00 0.00 C ATOM 152 O LYS A 735 -2.885 4.947 4.851 1.00 0.00 O ATOM 153 CB LYS A 735 -0.718 4.793 7.363 1.00 0.00 C ATOM 154 CG LYS A 735 -2.006 4.458 8.146 1.00 0.00 C ATOM 155 CD LYS A 735 -2.929 5.635 8.443 1.00 0.00 C ATOM 156 CE LYS A 735 -4.041 5.180 9.390 1.00 0.00 C ATOM 157 NZ LYS A 735 -4.988 6.250 9.751 1.00 0.00 N ATOM 0 H LYS A 735 -2.403 6.812 6.225 1.00 0.00 H new ATOM 0 HA LYS A 735 0.140 5.469 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.144 3.873 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.122 5.471 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -2.568 3.714 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -1.723 3.995 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -2.363 6.451 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -3.358 6.018 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -4.591 4.363 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -3.591 4.783 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -5.053 6.321 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -4.654 7.155 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -5.926 6.030 9.359 1.00 0.00 H new ATOM 171 N LEU A 736 -1.250 3.452 4.582 1.00 0.00 N ATOM 172 CA LEU A 736 -2.130 2.654 3.750 1.00 0.00 C ATOM 173 C LEU A 736 -2.320 1.380 4.400 1.00 0.00 C ATOM 174 O LEU A 736 -1.379 0.634 4.586 1.00 0.00 O ATOM 175 CB LEU A 736 -1.526 2.364 2.376 1.00 0.00 C ATOM 176 CG LEU A 736 -1.423 3.511 1.341 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.516 4.634 1.794 1.00 0.00 C ATOM 178 CD2 LEU A 736 -0.954 2.973 0.006 1.00 0.00 C ATOM 0 H LEU A 736 -0.314 3.079 4.739 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.057 3.211 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -0.521 1.974 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.111 1.564 1.922 1.00 0.00 H new ATOM 0 HG LEU A 736 -2.424 3.931 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -0.484 5.408 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.898 5.059 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 736 0.489 4.246 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -0.886 3.790 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.026 2.511 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -1.664 2.230 -0.356 1.00 0.00 H new ATOM 190 N ASN A 737 -3.521 1.015 4.601 1.00 0.00 N ATOM 191 CA ASN A 737 -3.765 -0.225 5.200 1.00 0.00 C ATOM 192 C ASN A 737 -5.006 -0.811 4.700 1.00 0.00 C ATOM 193 O ASN A 737 -5.912 -0.205 4.802 1.00 0.00 O ATOM 194 CB ASN A 737 -3.699 -0.205 6.778 1.00 0.00 C ATOM 195 CG ASN A 737 -4.200 0.995 7.495 1.00 0.00 C ATOM 196 OD1 ASN A 737 -3.838 2.115 7.025 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -4.816 0.892 8.537 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.350 1.558 4.359 1.00 0.00 H new ATOM 0 HA ASN A 737 -2.941 -0.873 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -4.258 -1.066 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -2.659 -0.354 7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -5.088 -0.029 8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -5.061 1.727 9.069 1.00 0.00 H new ATOM 204 N PHE A 738 -4.954 -2.009 4.077 1.00 0.00 N ATOM 205 CA PHE A 738 -6.103 -2.677 3.367 1.00 0.00 C ATOM 206 C PHE A 738 -7.502 -2.105 3.656 1.00 0.00 C ATOM 207 O PHE A 738 -8.081 -1.473 2.786 1.00 0.00 O ATOM 208 CB PHE A 738 -6.102 -4.209 3.511 1.00 0.00 C ATOM 209 CG PHE A 738 -6.972 -4.861 2.464 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.338 -5.012 2.648 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.419 -5.273 1.270 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.122 -5.564 1.668 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.202 -5.823 0.283 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.558 -5.969 0.484 1.00 0.00 C ATOM 0 H PHE A 738 -4.099 -2.564 4.045 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.901 -2.427 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.082 -4.584 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.458 -4.483 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.790 -4.691 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.357 -5.162 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.184 -5.680 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -6.756 -6.140 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.176 -6.401 -0.289 1.00 0.00 H new ATOM 224 N ASP A 739 -8.024 -2.331 4.868 1.00 0.00 N ATOM 225 CA ASP A 739 -9.364 -1.828 5.259 1.00 0.00 C ATOM 226 C ASP A 739 -9.416 -0.298 5.285 1.00 0.00 C ATOM 227 O ASP A 739 -10.414 0.310 4.922 1.00 0.00 O ATOM 228 CB ASP A 739 -9.798 -2.402 6.605 1.00 0.00 C ATOM 229 CG ASP A 739 -11.184 -1.991 6.986 1.00 0.00 C ATOM 230 OD1 ASP A 739 -12.130 -2.680 6.594 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.333 -0.993 7.684 1.00 0.00 O ATOM 0 H ASP A 739 -7.546 -2.857 5.600 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.065 -2.169 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.743 -3.490 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.101 -2.075 7.377 1.00 0.00 H new ATOM 236 N GLU A 740 -8.311 0.309 5.619 1.00 0.00 N ATOM 237 CA GLU A 740 -8.181 1.756 5.594 1.00 0.00 C ATOM 238 C GLU A 740 -7.947 2.198 4.152 1.00 0.00 C ATOM 239 O GLU A 740 -8.401 3.236 3.769 1.00 0.00 O ATOM 240 CB GLU A 740 -7.024 2.227 6.489 1.00 0.00 C ATOM 241 CG GLU A 740 -6.856 3.739 6.638 1.00 0.00 C ATOM 242 CD GLU A 740 -7.695 4.322 7.705 1.00 0.00 C ATOM 243 OE1 GLU A 740 -8.876 3.992 7.776 1.00 0.00 O ATOM 244 OE2 GLU A 740 -7.164 5.112 8.501 1.00 0.00 O ATOM 0 H GLU A 740 -7.467 -0.180 5.919 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.096 2.204 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.163 1.799 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.095 1.817 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -5.810 3.962 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -7.101 4.219 5.691 1.00 0.00 H new ATOM 251 N LEU A 741 -7.219 1.375 3.337 1.00 0.00 N ATOM 252 CA LEU A 741 -6.947 1.700 1.924 1.00 0.00 C ATOM 253 C LEU A 741 -8.237 1.936 1.136 1.00 0.00 C ATOM 254 O LEU A 741 -8.256 2.679 0.153 1.00 0.00 O ATOM 255 CB LEU A 741 -6.249 0.535 1.267 1.00 0.00 C ATOM 256 CG LEU A 741 -6.120 0.653 -0.251 1.00 0.00 C ATOM 257 CD1 LEU A 741 -4.840 1.335 -0.681 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.361 -0.656 -0.953 1.00 0.00 C ATOM 0 H LEU A 741 -6.817 0.489 3.644 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.338 2.604 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.253 0.434 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.793 -0.380 1.504 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.923 1.315 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.805 1.390 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.807 2.342 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -3.985 0.765 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.257 -0.516 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.633 -1.392 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.367 -1.009 -0.728 1.00 0.00 H new ATOM 270 N ARG A 742 -9.300 1.291 1.571 1.00 0.00 N ATOM 271 CA ARG A 742 -10.586 1.346 0.961 1.00 0.00 C ATOM 272 C ARG A 742 -11.053 2.681 0.963 1.00 0.00 C ATOM 273 O ARG A 742 -11.611 3.060 0.063 1.00 0.00 O ATOM 274 CB ARG A 742 -11.566 0.494 1.727 1.00 0.00 C ATOM 275 CG ARG A 742 -10.994 -0.828 2.021 1.00 0.00 C ATOM 276 CD ARG A 742 -10.771 -1.616 0.745 1.00 0.00 C ATOM 277 NE ARG A 742 -11.877 -2.538 0.494 1.00 0.00 N ATOM 278 CZ ARG A 742 -12.894 -2.336 -0.372 1.00 0.00 C ATOM 279 NH1 ARG A 742 -12.879 -1.299 -1.234 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.868 -3.225 -0.436 1.00 0.00 N ATOM 0 H ARG A 742 -9.276 0.692 2.396 1.00 0.00 H new ATOM 0 HA ARG A 742 -10.502 0.975 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -11.837 0.992 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -12.483 0.378 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.049 -0.710 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -11.663 -1.379 2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -10.668 -0.930 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -9.838 -2.174 0.818 1.00 0.00 H new ATOM 0 HE ARG A 742 -11.881 -3.412 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.091 -0.652 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.656 -1.162 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.846 -4.050 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.643 -3.087 -1.085 1.00 0.00 H new ATOM 294 N GLN A 743 -10.718 3.407 1.988 1.00 0.00 N ATOM 295 CA GLN A 743 -11.141 4.792 2.163 1.00 0.00 C ATOM 296 C GLN A 743 -10.803 5.649 0.983 1.00 0.00 C ATOM 297 O GLN A 743 -11.560 6.545 0.600 1.00 0.00 O ATOM 298 CB GLN A 743 -10.392 5.290 3.299 1.00 0.00 C ATOM 299 CG GLN A 743 -10.702 6.695 3.759 1.00 0.00 C ATOM 300 CD GLN A 743 -10.089 6.895 5.079 1.00 0.00 C ATOM 301 OE1 GLN A 743 -9.631 7.978 5.423 1.00 0.00 O ATOM 302 NE2 GLN A 743 -10.127 5.848 5.857 1.00 0.00 N ATOM 0 H GLN A 743 -10.133 3.060 2.748 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.223 4.827 2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -10.558 4.614 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -9.331 5.239 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.313 7.422 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -11.780 6.847 3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -10.521 4.972 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -9.763 5.906 6.808 1.00 0.00 H new ATOM 311 N ASP A 744 -9.718 5.327 0.361 1.00 0.00 N ATOM 312 CA ASP A 744 -9.328 6.030 -0.855 1.00 0.00 C ATOM 313 C ASP A 744 -10.098 5.534 -2.037 1.00 0.00 C ATOM 314 O ASP A 744 -10.777 6.295 -2.735 1.00 0.00 O ATOM 315 CB ASP A 744 -7.860 5.902 -1.099 1.00 0.00 C ATOM 316 CG ASP A 744 -7.390 6.792 -2.197 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.658 7.998 -2.125 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.726 6.306 -3.119 1.00 0.00 O ATOM 0 H ASP A 744 -9.078 4.590 0.657 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.563 7.085 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -7.319 6.142 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -7.624 4.867 -1.347 1.00 0.00 H new ATOM 323 N LEU A 745 -10.005 4.246 -2.249 1.00 0.00 N ATOM 324 CA LEU A 745 -10.660 3.620 -3.354 1.00 0.00 C ATOM 325 C LEU A 745 -12.025 3.040 -3.015 1.00 0.00 C ATOM 326 O LEU A 745 -12.381 1.962 -3.508 1.00 0.00 O ATOM 327 CB LEU A 745 -9.726 2.610 -4.086 1.00 0.00 C ATOM 328 CG LEU A 745 -8.860 1.639 -3.228 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.687 0.648 -2.437 1.00 0.00 C ATOM 330 CD2 LEU A 745 -7.876 0.900 -4.108 1.00 0.00 C ATOM 0 H LEU A 745 -9.472 3.608 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 745 -10.877 4.418 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -10.346 2.004 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -9.050 3.184 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.325 2.255 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.026 0.001 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.349 1.186 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.282 0.043 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.277 0.225 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -8.419 0.325 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -7.222 1.617 -4.604 1.00 0.00 H new ATOM 342 N LYS A 746 -12.792 3.722 -2.151 1.00 0.00 N ATOM 343 CA LYS A 746 -14.141 3.205 -1.832 1.00 0.00 C ATOM 344 C LYS A 746 -15.004 3.370 -3.074 1.00 0.00 C ATOM 345 O LYS A 746 -15.308 4.492 -3.480 1.00 0.00 O ATOM 346 CB LYS A 746 -14.847 3.886 -0.620 1.00 0.00 C ATOM 347 CG LYS A 746 -14.164 3.784 0.766 1.00 0.00 C ATOM 348 CD LYS A 746 -15.203 3.911 1.873 1.00 0.00 C ATOM 349 CE LYS A 746 -14.606 3.789 3.268 1.00 0.00 C ATOM 350 NZ LYS A 746 -15.647 3.901 4.310 1.00 0.00 N ATOM 0 H LYS A 746 -12.526 4.587 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.015 2.164 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -14.970 4.943 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -15.847 3.460 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -13.643 2.831 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.414 4.568 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -15.706 4.874 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -15.963 3.141 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.094 2.832 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -13.857 4.567 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -15.209 3.814 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.118 4.825 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.348 3.143 4.183 1.00 0.00 H new ATOM 364 N GLY A 747 -15.237 2.290 -3.760 1.00 0.00 N ATOM 365 CA GLY A 747 -15.882 2.367 -5.042 1.00 0.00 C ATOM 366 C GLY A 747 -14.892 1.986 -6.102 1.00 0.00 C ATOM 367 O GLY A 747 -14.381 2.845 -6.829 1.00 0.00 O ATOM 0 H GLY A 747 -14.992 1.347 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -16.743 1.700 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -16.254 3.376 -5.218 1.00 0.00 H new ATOM 371 N LYS A 748 -14.501 0.724 -6.090 1.00 0.00 N ATOM 372 CA LYS A 748 -13.451 0.226 -6.958 1.00 0.00 C ATOM 373 C LYS A 748 -13.667 -1.238 -7.312 1.00 0.00 C ATOM 374 O LYS A 748 -13.582 -1.617 -8.474 1.00 0.00 O ATOM 375 CB LYS A 748 -12.065 0.498 -6.286 1.00 0.00 C ATOM 376 CG LYS A 748 -10.820 -0.132 -6.928 1.00 0.00 C ATOM 377 CD LYS A 748 -10.496 -1.515 -6.342 1.00 0.00 C ATOM 378 CE LYS A 748 -10.516 -2.598 -7.428 1.00 0.00 C ATOM 379 NZ LYS A 748 -9.579 -2.295 -8.533 1.00 0.00 N ATOM 0 H LYS A 748 -14.904 0.015 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 748 -13.475 0.758 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -11.915 1.577 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -12.120 0.153 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -10.975 -0.223 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -9.966 0.530 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -9.515 -1.491 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -11.220 -1.762 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -10.255 -3.559 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -11.526 -2.693 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.234 -3.184 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -10.070 -1.739 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.774 -1.749 -8.166 1.00 0.00 H new ATOM 393 N GLY A 749 -13.934 -2.061 -6.323 1.00 0.00 N ATOM 394 CA GLY A 749 -14.139 -3.467 -6.596 1.00 0.00 C ATOM 395 C GLY A 749 -15.443 -3.938 -6.059 1.00 0.00 C ATOM 396 O GLY A 749 -15.914 -3.411 -5.059 1.00 0.00 O ATOM 0 H GLY A 749 -14.013 -1.790 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -14.103 -3.640 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -13.330 -4.047 -6.153 1.00 0.00 H new ATOM 400 N HIS A 750 -16.025 -4.941 -6.683 1.00 0.00 N ATOM 401 CA HIS A 750 -17.291 -5.484 -6.196 1.00 0.00 C ATOM 402 C HIS A 750 -17.026 -6.452 -5.084 1.00 0.00 C ATOM 403 O HIS A 750 -17.729 -6.465 -4.078 1.00 0.00 O ATOM 404 CB HIS A 750 -18.087 -6.175 -7.303 1.00 0.00 C ATOM 405 CG HIS A 750 -18.475 -5.274 -8.423 1.00 0.00 C ATOM 406 ND1 HIS A 750 -19.612 -4.497 -8.406 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.873 -5.032 -9.607 1.00 0.00 C ATOM 408 CE1 HIS A 750 -19.691 -3.816 -9.538 1.00 0.00 C ATOM 409 NE2 HIS A 750 -18.646 -4.123 -10.283 1.00 0.00 N ATOM 0 H HIS A 750 -15.654 -5.396 -7.517 1.00 0.00 H new ATOM 0 HA HIS A 750 -17.891 -4.649 -5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -17.495 -6.999 -7.702 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -18.988 -6.610 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -16.952 -5.473 -9.957 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -20.477 -3.126 -9.806 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -18.446 -3.746 -11.209 1.00 0.00 H new ATOM 418 N THR A 751 -15.995 -7.239 -5.252 1.00 0.00 N ATOM 419 CA THR A 751 -15.618 -8.176 -4.244 1.00 0.00 C ATOM 420 C THR A 751 -14.290 -7.704 -3.645 1.00 0.00 C ATOM 421 O THR A 751 -13.433 -7.169 -4.372 1.00 0.00 O ATOM 422 CB THR A 751 -15.428 -9.552 -4.900 1.00 0.00 C ATOM 423 OG1 THR A 751 -16.393 -9.757 -5.929 1.00 0.00 O ATOM 424 CG2 THR A 751 -15.577 -10.710 -3.931 1.00 0.00 C ATOM 0 H THR A 751 -15.404 -7.244 -6.083 1.00 0.00 H new ATOM 0 HA THR A 751 -16.379 -8.248 -3.467 1.00 0.00 H new ATOM 0 HB THR A 751 -14.410 -9.539 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 751 -16.119 -9.273 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.430 -11.650 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 751 -14.833 -10.620 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.575 -10.692 -3.494 1.00 0.00 H new ATOM 432 N ASP A 752 -14.080 -7.960 -2.360 1.00 0.00 N ATOM 433 CA ASP A 752 -12.808 -7.631 -1.714 1.00 0.00 C ATOM 434 C ASP A 752 -11.678 -8.445 -2.270 1.00 0.00 C ATOM 435 O ASP A 752 -10.588 -7.947 -2.379 1.00 0.00 O ATOM 436 CB ASP A 752 -12.861 -7.714 -0.183 1.00 0.00 C ATOM 437 CG ASP A 752 -13.690 -6.626 0.433 1.00 0.00 C ATOM 438 OD1 ASP A 752 -14.900 -6.795 0.538 1.00 0.00 O ATOM 439 OD2 ASP A 752 -13.129 -5.587 0.819 1.00 0.00 O ATOM 0 H ASP A 752 -14.768 -8.392 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.617 -6.584 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.267 -8.683 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.847 -7.660 0.214 1.00 0.00 H new ATOM 444 N ALA A 753 -11.968 -9.690 -2.681 1.00 0.00 N ATOM 445 CA ALA A 753 -10.954 -10.587 -3.269 1.00 0.00 C ATOM 446 C ALA A 753 -10.313 -9.987 -4.527 1.00 0.00 C ATOM 447 O ALA A 753 -9.135 -10.184 -4.777 1.00 0.00 O ATOM 448 CB ALA A 753 -11.547 -11.956 -3.574 1.00 0.00 C ATOM 0 H ALA A 753 -12.899 -10.101 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 753 -10.166 -10.706 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.779 -12.597 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.918 -12.405 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -12.369 -11.847 -4.281 1.00 0.00 H new ATOM 454 N GLU A 754 -11.075 -9.183 -5.258 1.00 0.00 N ATOM 455 CA GLU A 754 -10.563 -8.456 -6.430 1.00 0.00 C ATOM 456 C GLU A 754 -9.525 -7.427 -6.011 1.00 0.00 C ATOM 457 O GLU A 754 -8.572 -7.139 -6.729 1.00 0.00 O ATOM 458 CB GLU A 754 -11.683 -7.709 -7.127 1.00 0.00 C ATOM 459 CG GLU A 754 -12.766 -8.570 -7.707 1.00 0.00 C ATOM 460 CD GLU A 754 -13.783 -7.735 -8.359 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.421 -7.025 -9.299 1.00 0.00 O ATOM 462 OE2 GLU A 754 -14.934 -7.739 -7.914 1.00 0.00 O ATOM 0 H GLU A 754 -12.061 -9.012 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 754 -10.121 -9.194 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -12.134 -7.017 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -11.253 -7.107 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -12.339 -9.267 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -13.226 -9.168 -6.920 1.00 0.00 H new ATOM 469 N ILE A 755 -9.774 -6.848 -4.875 1.00 0.00 N ATOM 470 CA ILE A 755 -8.969 -5.815 -4.298 1.00 0.00 C ATOM 471 C ILE A 755 -7.744 -6.445 -3.693 1.00 0.00 C ATOM 472 O ILE A 755 -6.641 -5.929 -3.794 1.00 0.00 O ATOM 473 CB ILE A 755 -9.813 -5.010 -3.293 1.00 0.00 C ATOM 474 CG1 ILE A 755 -11.077 -4.553 -4.028 1.00 0.00 C ATOM 475 CG2 ILE A 755 -9.043 -3.800 -2.761 1.00 0.00 C ATOM 476 CD1 ILE A 755 -12.045 -3.803 -3.195 1.00 0.00 C ATOM 0 H ILE A 755 -10.580 -7.094 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 755 -8.627 -5.103 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 755 -10.061 -5.631 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -10.784 -3.927 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -11.577 -5.429 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.667 -3.254 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -8.136 -4.138 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -8.776 -3.145 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -12.906 -3.522 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -12.374 -4.430 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -11.568 -2.904 -2.803 1.00 0.00 H new ATOM 488 N GLU A 756 -7.944 -7.601 -3.139 1.00 0.00 N ATOM 489 CA GLU A 756 -6.884 -8.405 -2.619 1.00 0.00 C ATOM 490 C GLU A 756 -5.947 -8.879 -3.756 1.00 0.00 C ATOM 491 O GLU A 756 -4.743 -9.034 -3.555 1.00 0.00 O ATOM 492 CB GLU A 756 -7.486 -9.565 -1.879 1.00 0.00 C ATOM 493 CG GLU A 756 -8.317 -9.131 -0.695 1.00 0.00 C ATOM 494 CD GLU A 756 -8.859 -10.255 0.077 1.00 0.00 C ATOM 495 OE1 GLU A 756 -8.094 -10.880 0.795 1.00 0.00 O ATOM 496 OE2 GLU A 756 -10.048 -10.516 -0.019 1.00 0.00 O ATOM 0 H GLU A 756 -8.868 -8.020 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 756 -6.274 -7.820 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.108 -10.143 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -6.689 -10.225 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -7.706 -8.510 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -9.141 -8.510 -1.046 1.00 0.00 H new ATOM 503 N ALA A 757 -6.499 -9.012 -4.960 1.00 0.00 N ATOM 504 CA ALA A 757 -5.696 -9.354 -6.146 1.00 0.00 C ATOM 505 C ALA A 757 -4.776 -8.193 -6.541 1.00 0.00 C ATOM 506 O ALA A 757 -3.592 -8.380 -6.777 1.00 0.00 O ATOM 507 CB ALA A 757 -6.578 -9.755 -7.310 1.00 0.00 C ATOM 0 H ALA A 757 -7.494 -8.890 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 757 -5.073 -10.210 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.956 -10.001 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -7.174 -10.624 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -7.240 -8.928 -7.566 1.00 0.00 H new ATOM 513 N ILE A 758 -5.319 -6.986 -6.544 1.00 0.00 N ATOM 514 CA ILE A 758 -4.533 -5.780 -6.816 1.00 0.00 C ATOM 515 C ILE A 758 -3.506 -5.534 -5.678 1.00 0.00 C ATOM 516 O ILE A 758 -2.386 -5.085 -5.911 1.00 0.00 O ATOM 517 CB ILE A 758 -5.453 -4.524 -7.240 1.00 0.00 C ATOM 518 CG1 ILE A 758 -4.733 -3.163 -7.339 1.00 0.00 C ATOM 519 CG2 ILE A 758 -6.688 -4.384 -6.403 1.00 0.00 C ATOM 520 CD1 ILE A 758 -4.442 -2.484 -6.004 1.00 0.00 C ATOM 0 H ILE A 758 -6.307 -6.809 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.927 -5.935 -7.709 1.00 0.00 H new ATOM 0 HB ILE A 758 -5.739 -4.789 -8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -3.791 -3.306 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -5.341 -2.491 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -7.261 -3.520 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -7.296 -5.283 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -6.406 -4.246 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.935 -1.536 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -5.378 -2.302 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -3.804 -3.129 -5.399 1.00 0.00 H new ATOM 532 N PHE A 759 -3.914 -5.897 -4.476 1.00 0.00 N ATOM 533 CA PHE A 759 -3.148 -5.772 -3.220 1.00 0.00 C ATOM 534 C PHE A 759 -1.768 -6.427 -3.261 1.00 0.00 C ATOM 535 O PHE A 759 -0.826 -5.894 -2.667 1.00 0.00 O ATOM 536 CB PHE A 759 -4.010 -6.448 -2.128 1.00 0.00 C ATOM 537 CG PHE A 759 -3.343 -6.886 -0.855 1.00 0.00 C ATOM 538 CD1 PHE A 759 -3.061 -5.996 0.141 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.038 -8.221 -0.655 1.00 0.00 C ATOM 540 CE1 PHE A 759 -2.483 -6.412 1.314 1.00 0.00 C ATOM 541 CE2 PHE A 759 -2.465 -8.642 0.517 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.186 -7.734 1.501 1.00 0.00 C ATOM 0 H PHE A 759 -4.835 -6.310 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 759 -2.956 -4.716 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -4.810 -5.757 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.481 -7.324 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -3.296 -4.951 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -3.254 -8.940 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -2.262 -5.695 2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -2.235 -9.687 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 759 -1.732 -8.061 2.425 1.00 0.00 H new ATOM 552 N THR A 760 -1.645 -7.588 -3.868 1.00 0.00 N ATOM 553 CA THR A 760 -0.359 -8.276 -3.844 1.00 0.00 C ATOM 554 C THR A 760 0.713 -7.573 -4.691 1.00 0.00 C ATOM 555 O THR A 760 1.864 -7.429 -4.273 1.00 0.00 O ATOM 556 CB THR A 760 -0.530 -9.761 -4.246 1.00 0.00 C ATOM 557 OG1 THR A 760 0.702 -10.444 -4.321 1.00 0.00 O ATOM 558 CG2 THR A 760 -1.280 -10.013 -5.542 1.00 0.00 C ATOM 0 H THR A 760 -2.391 -8.069 -4.371 1.00 0.00 H new ATOM 0 HA THR A 760 0.006 -8.239 -2.818 1.00 0.00 H new ATOM 0 HB THR A 760 -1.145 -10.149 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 760 0.544 -11.377 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 760 -1.340 -11.086 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 760 -2.286 -9.601 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 760 -0.753 -9.534 -6.367 1.00 0.00 H new ATOM 566 N LYS A 761 0.363 -7.253 -5.894 1.00 0.00 N ATOM 567 CA LYS A 761 1.320 -6.680 -6.844 1.00 0.00 C ATOM 568 C LYS A 761 1.362 -5.141 -6.915 1.00 0.00 C ATOM 569 O LYS A 761 2.385 -4.575 -7.271 1.00 0.00 O ATOM 570 CB LYS A 761 1.105 -7.266 -8.241 1.00 0.00 C ATOM 571 CG LYS A 761 1.218 -8.809 -8.373 1.00 0.00 C ATOM 572 CD LYS A 761 2.642 -9.369 -8.146 1.00 0.00 C ATOM 573 CE LYS A 761 3.028 -9.570 -6.662 1.00 0.00 C ATOM 574 NZ LYS A 761 4.410 -10.085 -6.528 1.00 0.00 N ATOM 0 H LYS A 761 -0.580 -7.371 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 761 2.295 -6.966 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.116 -6.966 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.831 -6.812 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 761 0.540 -9.273 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 761 0.880 -9.102 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 761 2.728 -10.325 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 761 3.362 -8.692 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 761 2.938 -8.623 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 761 2.332 -10.266 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 4.638 -10.209 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 4.488 -11.000 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 5.075 -9.408 -6.953 1.00 0.00 H new ATOM 588 N TYR A 762 0.214 -4.509 -6.831 1.00 0.00 N ATOM 589 CA TYR A 762 0.103 -3.081 -7.180 1.00 0.00 C ATOM 590 C TYR A 762 0.242 -2.069 -6.054 1.00 0.00 C ATOM 591 O TYR A 762 0.073 -0.869 -6.328 1.00 0.00 O ATOM 592 CB TYR A 762 -1.198 -2.798 -7.910 1.00 0.00 C ATOM 593 CG TYR A 762 -1.334 -3.424 -9.275 1.00 0.00 C ATOM 594 CD1 TYR A 762 -1.873 -4.693 -9.439 1.00 0.00 C ATOM 595 CD2 TYR A 762 -0.948 -2.729 -10.405 1.00 0.00 C ATOM 596 CE1 TYR A 762 -2.013 -5.249 -10.694 1.00 0.00 C ATOM 597 CE2 TYR A 762 -1.090 -3.272 -11.657 1.00 0.00 C ATOM 598 CZ TYR A 762 -1.620 -4.530 -11.801 1.00 0.00 C ATOM 599 OH TYR A 762 -1.769 -5.065 -13.056 1.00 0.00 O ATOM 0 H TYR A 762 -0.658 -4.942 -6.528 1.00 0.00 H new ATOM 0 HA TYR A 762 0.980 -2.933 -7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -2.024 -3.144 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -1.307 -1.718 -8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -2.187 -5.253 -8.571 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -0.527 -1.740 -10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -2.427 -6.240 -10.807 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -0.785 -2.711 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 762 -1.443 -4.427 -13.724 1.00 0.00 H new ATOM 609 N ASP A 763 0.406 -2.474 -4.803 1.00 0.00 N ATOM 610 CA ASP A 763 0.418 -1.446 -3.743 1.00 0.00 C ATOM 611 C ASP A 763 1.589 -0.488 -3.875 1.00 0.00 C ATOM 612 O ASP A 763 2.705 -0.894 -4.207 1.00 0.00 O ATOM 613 CB ASP A 763 0.346 -2.001 -2.331 1.00 0.00 C ATOM 614 CG ASP A 763 0.270 -0.876 -1.324 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.703 -0.111 -1.374 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.175 -0.748 -0.509 1.00 0.00 O ATOM 0 H ASP A 763 0.526 -3.440 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 763 -0.506 -0.890 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.527 -2.646 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.222 -2.618 -2.131 1.00 0.00 H new ATOM 621 N GLN A 764 1.301 0.785 -3.645 1.00 0.00 N ATOM 622 CA GLN A 764 2.266 1.859 -3.760 1.00 0.00 C ATOM 623 C GLN A 764 3.424 1.705 -2.771 1.00 0.00 C ATOM 624 O GLN A 764 4.583 1.887 -3.147 1.00 0.00 O ATOM 625 CB GLN A 764 1.563 3.211 -3.580 1.00 0.00 C ATOM 626 CG GLN A 764 0.454 3.469 -4.601 1.00 0.00 C ATOM 627 CD GLN A 764 -0.242 4.795 -4.390 1.00 0.00 C ATOM 628 OE1 GLN A 764 -1.240 4.883 -3.675 1.00 0.00 O ATOM 629 NE2 GLN A 764 0.288 5.835 -4.981 1.00 0.00 N ATOM 0 H GLN A 764 0.372 1.102 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 764 2.702 1.813 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 764 1.139 3.259 -2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.303 4.008 -3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 764 0.878 3.442 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -0.280 2.666 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 764 1.116 5.722 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -0.127 6.759 -4.856 1.00 0.00 H new ATOM 638 N ASP A 765 3.131 1.324 -1.532 1.00 0.00 N ATOM 639 CA ASP A 765 4.205 1.132 -0.558 1.00 0.00 C ATOM 640 C ASP A 765 4.588 -0.338 -0.438 1.00 0.00 C ATOM 641 O ASP A 765 5.563 -0.688 0.232 1.00 0.00 O ATOM 642 CB ASP A 765 3.826 1.706 0.817 1.00 0.00 C ATOM 643 CG ASP A 765 3.635 3.187 0.792 1.00 0.00 C ATOM 644 OD1 ASP A 765 4.623 3.909 0.679 1.00 0.00 O ATOM 645 OD2 ASP A 765 2.492 3.647 0.906 1.00 0.00 O ATOM 0 H ASP A 765 2.189 1.146 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 765 5.074 1.680 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 765 2.908 1.231 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 765 4.605 1.457 1.537 1.00 0.00 H new ATOM 650 N GLY A 766 3.859 -1.186 -1.139 1.00 0.00 N ATOM 651 CA GLY A 766 4.151 -2.604 -1.167 1.00 0.00 C ATOM 652 C GLY A 766 3.451 -3.416 -0.085 1.00 0.00 C ATOM 653 O GLY A 766 3.436 -4.647 -0.154 1.00 0.00 O ATOM 0 H GLY A 766 3.053 -0.912 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 766 3.867 -3.001 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 766 5.228 -2.742 -1.068 1.00 0.00 H new ATOM 657 N ASP A 767 2.881 -2.767 0.915 1.00 0.00 N ATOM 658 CA ASP A 767 2.227 -3.504 1.983 1.00 0.00 C ATOM 659 C ASP A 767 0.713 -3.485 1.909 1.00 0.00 C ATOM 660 O ASP A 767 0.103 -4.560 1.863 1.00 0.00 O ATOM 661 CB ASP A 767 2.731 -3.097 3.372 1.00 0.00 C ATOM 662 CG ASP A 767 4.066 -3.693 3.696 1.00 0.00 C ATOM 663 OD1 ASP A 767 4.100 -4.830 4.188 1.00 0.00 O ATOM 664 OD2 ASP A 767 5.091 -3.062 3.448 1.00 0.00 O ATOM 0 H ASP A 767 2.857 -1.752 1.011 1.00 0.00 H new ATOM 0 HA ASP A 767 2.518 -4.542 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.799 -2.010 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 767 2.006 -3.409 4.124 1.00 0.00 H new ATOM 669 N GLN A 768 0.112 -2.274 1.886 1.00 0.00 N ATOM 670 CA GLN A 768 -1.370 -2.069 1.819 1.00 0.00 C ATOM 671 C GLN A 768 -2.026 -2.840 2.964 1.00 0.00 C ATOM 672 O GLN A 768 -2.720 -3.822 2.737 1.00 0.00 O ATOM 673 CB GLN A 768 -1.901 -2.561 0.475 1.00 0.00 C ATOM 674 CG GLN A 768 -3.217 -1.963 0.055 1.00 0.00 C ATOM 675 CD GLN A 768 -3.693 -2.494 -1.277 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.544 -3.483 -1.239 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -3.352 -1.969 -2.328 1.00 0.00 N flip ATOM 0 H GLN A 768 0.637 -1.400 1.913 1.00 0.00 H new ATOM 0 HA GLN A 768 -1.604 -1.009 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.159 -2.345 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.009 -3.645 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -3.968 -2.174 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -3.118 -0.879 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -2.684 -1.198 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -3.735 -2.302 -3.213 1.00 0.00 H new ATOM 686 N GLU A 769 -1.869 -2.289 4.163 1.00 0.00 N ATOM 687 CA GLU A 769 -2.341 -2.796 5.496 1.00 0.00 C ATOM 688 C GLU A 769 -1.326 -2.358 6.602 1.00 0.00 C ATOM 689 O GLU A 769 -1.361 -2.845 7.725 1.00 0.00 O ATOM 690 CB GLU A 769 -2.653 -4.340 5.571 1.00 0.00 C ATOM 691 CG GLU A 769 -1.537 -5.329 5.191 1.00 0.00 C ATOM 692 CD GLU A 769 -0.412 -5.377 6.150 1.00 0.00 C ATOM 693 OE1 GLU A 769 -0.569 -5.972 7.205 1.00 0.00 O ATOM 694 OE2 GLU A 769 0.650 -4.836 5.842 1.00 0.00 O ATOM 0 H GLU A 769 -1.371 -1.404 4.262 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.315 -2.336 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.965 -4.567 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.508 -4.538 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.967 -6.327 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -1.150 -5.061 4.208 1.00 0.00 H new ATOM 701 N LEU A 770 -0.476 -1.354 6.269 1.00 0.00 N ATOM 702 CA LEU A 770 0.524 -0.822 7.199 1.00 0.00 C ATOM 703 C LEU A 770 0.031 0.545 7.710 1.00 0.00 C ATOM 704 O LEU A 770 -0.397 1.449 6.911 1.00 0.00 O ATOM 705 CB LEU A 770 1.868 -0.672 6.430 1.00 0.00 C ATOM 706 CG LEU A 770 3.195 -0.586 7.233 1.00 0.00 C ATOM 707 CD1 LEU A 770 4.364 -0.532 6.277 1.00 0.00 C ATOM 708 CD2 LEU A 770 3.256 0.620 8.142 1.00 0.00 C ATOM 0 H LEU A 770 -0.472 -0.901 5.355 1.00 0.00 H new ATOM 0 HA LEU A 770 0.672 -1.486 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.952 -1.518 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.797 0.226 5.817 1.00 0.00 H new ATOM 0 HG LEU A 770 3.241 -1.476 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 770 5.294 -0.472 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 770 4.372 -1.431 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 770 4.271 0.346 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 770 4.206 0.625 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 770 3.169 1.529 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 770 2.437 0.577 8.860 1.00 0.00 H new ATOM 720 N THR A 771 0.026 0.684 9.026 1.00 0.00 N ATOM 721 CA THR A 771 -0.544 1.833 9.631 1.00 0.00 C ATOM 722 C THR A 771 0.438 2.698 10.480 1.00 0.00 C ATOM 723 O THR A 771 1.588 2.316 10.762 1.00 0.00 O ATOM 724 CB THR A 771 -1.832 1.439 10.405 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.543 2.577 10.871 1.00 0.00 O ATOM 726 CG2 THR A 771 -1.578 0.529 11.590 1.00 0.00 C ATOM 0 H THR A 771 0.415 0.004 9.679 1.00 0.00 H new ATOM 0 HA THR A 771 -0.812 2.506 8.817 1.00 0.00 H new ATOM 0 HB THR A 771 -2.427 0.894 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 771 -3.347 2.287 11.351 1.00 0.00 H new ATOM 0 HG21 THR A 771 -2.524 0.297 12.080 1.00 0.00 H new ATOM 0 HG22 THR A 771 -1.112 -0.394 11.246 1.00 0.00 H new ATOM 0 HG23 THR A 771 -0.916 1.029 12.297 1.00 0.00 H new ATOM 734 N GLU A 772 -0.126 3.848 10.867 1.00 0.00 N ATOM 735 CA GLU A 772 0.381 4.956 11.677 1.00 0.00 C ATOM 736 C GLU A 772 1.726 4.730 12.367 1.00 0.00 C ATOM 737 O GLU A 772 2.712 5.335 11.991 1.00 0.00 O ATOM 738 CB GLU A 772 -0.739 5.315 12.687 1.00 0.00 C ATOM 739 CG GLU A 772 -0.532 6.542 13.548 1.00 0.00 C ATOM 740 CD GLU A 772 -1.746 6.809 14.377 1.00 0.00 C ATOM 741 OE1 GLU A 772 -2.674 7.443 13.864 1.00 0.00 O ATOM 742 OE2 GLU A 772 -1.809 6.337 15.518 1.00 0.00 O ATOM 0 H GLU A 772 -1.083 4.047 10.576 1.00 0.00 H new ATOM 0 HA GLU A 772 0.613 5.781 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -1.666 5.447 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -0.884 4.460 13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 772 0.333 6.398 14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -0.318 7.405 12.917 1.00 0.00 H new ATOM 749 N HIS A 773 1.710 3.984 13.448 1.00 0.00 N ATOM 750 CA HIS A 773 2.879 3.832 14.329 1.00 0.00 C ATOM 751 C HIS A 773 4.089 3.253 13.621 1.00 0.00 C ATOM 752 O HIS A 773 5.199 3.742 13.781 1.00 0.00 O ATOM 753 CB HIS A 773 2.506 2.973 15.539 1.00 0.00 C ATOM 754 CG HIS A 773 1.285 3.479 16.230 1.00 0.00 C ATOM 755 ND1 HIS A 773 0.155 2.714 16.424 1.00 0.00 N ATOM 756 CD2 HIS A 773 0.986 4.716 16.690 1.00 0.00 C ATOM 757 CE1 HIS A 773 -0.786 3.466 16.968 1.00 0.00 C ATOM 758 NE2 HIS A 773 -0.310 4.691 17.135 1.00 0.00 N ATOM 0 H HIS A 773 0.891 3.458 13.755 1.00 0.00 H new ATOM 0 HA HIS A 773 3.165 4.832 14.656 1.00 0.00 H new ATOM 0 HB2 HIS A 773 2.340 1.945 15.216 1.00 0.00 H new ATOM 0 HB3 HIS A 773 3.339 2.956 16.242 1.00 0.00 H new ATOM 0 HD2 HIS A 773 1.649 5.569 16.704 1.00 0.00 H new ATOM 0 HE1 HIS A 773 -1.780 3.136 17.233 1.00 0.00 H new ATOM 0 HE2 HIS A 773 -0.821 5.481 17.528 1.00 0.00 H new ATOM 767 N GLU A 774 3.882 2.245 12.828 1.00 0.00 N ATOM 768 CA GLU A 774 4.975 1.645 12.102 1.00 0.00 C ATOM 769 C GLU A 774 5.346 2.450 10.854 1.00 0.00 C ATOM 770 O GLU A 774 6.504 2.443 10.414 1.00 0.00 O ATOM 771 CB GLU A 774 4.657 0.191 11.807 1.00 0.00 C ATOM 772 CG GLU A 774 4.377 -0.580 13.087 1.00 0.00 C ATOM 773 CD GLU A 774 4.009 -1.981 12.856 1.00 0.00 C ATOM 774 OE1 GLU A 774 2.835 -2.257 12.651 1.00 0.00 O ATOM 775 OE2 GLU A 774 4.882 -2.827 12.883 1.00 0.00 O ATOM 0 H GLU A 774 2.971 1.817 12.663 1.00 0.00 H new ATOM 0 HA GLU A 774 5.868 1.665 12.726 1.00 0.00 H new ATOM 0 HB2 GLU A 774 3.792 0.132 11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 774 5.493 -0.267 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 774 5.261 -0.545 13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 774 3.572 -0.086 13.631 1.00 0.00 H new ATOM 782 N HIS A 775 4.376 3.177 10.331 1.00 0.00 N ATOM 783 CA HIS A 775 4.552 4.026 9.158 1.00 0.00 C ATOM 784 C HIS A 775 5.394 5.247 9.518 1.00 0.00 C ATOM 785 O HIS A 775 6.265 5.662 8.754 1.00 0.00 O ATOM 786 CB HIS A 775 3.174 4.479 8.644 1.00 0.00 C ATOM 787 CG HIS A 775 3.195 5.152 7.310 1.00 0.00 C ATOM 788 ND1 HIS A 775 3.636 6.444 7.115 1.00 0.00 N ATOM 789 CD2 HIS A 775 2.824 4.697 6.098 1.00 0.00 C ATOM 790 CE1 HIS A 775 3.535 6.749 5.835 1.00 0.00 C ATOM 791 NE2 HIS A 775 3.045 5.703 5.197 1.00 0.00 N ATOM 0 H HIS A 775 3.430 3.198 10.711 1.00 0.00 H new ATOM 0 HA HIS A 775 5.064 3.461 8.379 1.00 0.00 H new ATOM 0 HB2 HIS A 775 2.519 3.610 8.587 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.736 5.161 9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 775 2.425 3.718 5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 775 3.807 7.693 5.386 1.00 0.00 H new ATOM 0 HE2 HIS A 775 2.861 5.653 4.195 1.00 0.00 H new ATOM 800 N GLN A 776 5.098 5.842 10.668 1.00 0.00 N ATOM 801 CA GLN A 776 5.785 7.041 11.120 1.00 0.00 C ATOM 802 C GLN A 776 7.269 6.821 11.359 1.00 0.00 C ATOM 803 O GLN A 776 8.061 7.761 11.248 1.00 0.00 O ATOM 804 CB GLN A 776 5.080 7.699 12.316 1.00 0.00 C ATOM 805 CG GLN A 776 4.978 6.862 13.563 1.00 0.00 C ATOM 806 CD GLN A 776 4.108 7.514 14.607 1.00 0.00 C ATOM 807 OE1 GLN A 776 3.168 8.236 14.282 1.00 0.00 O ATOM 808 NE2 GLN A 776 4.410 7.283 15.848 1.00 0.00 N ATOM 0 H GLN A 776 4.378 5.507 11.309 1.00 0.00 H new ATOM 0 HA GLN A 776 5.725 7.754 10.297 1.00 0.00 H new ATOM 0 HB2 GLN A 776 5.609 8.620 12.562 1.00 0.00 H new ATOM 0 HB3 GLN A 776 4.073 7.982 12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 776 4.571 5.883 13.311 1.00 0.00 H new ATOM 0 HG3 GLN A 776 5.975 6.697 13.972 1.00 0.00 H new ATOM 0 HE21 GLN A 776 5.198 6.677 16.077 1.00 0.00 H new ATOM 0 HE22 GLN A 776 3.859 7.707 16.594 1.00 0.00 H new ATOM 817 N GLN A 777 7.652 5.585 11.686 1.00 0.00 N ATOM 818 CA GLN A 777 9.046 5.256 11.898 1.00 0.00 C ATOM 819 C GLN A 777 9.789 5.170 10.572 1.00 0.00 C ATOM 820 O GLN A 777 10.999 5.382 10.535 1.00 0.00 O ATOM 821 CB GLN A 777 9.136 3.909 12.547 1.00 0.00 C ATOM 822 CG GLN A 777 8.433 3.807 13.882 1.00 0.00 C ATOM 823 CD GLN A 777 8.160 2.381 14.247 1.00 0.00 C ATOM 824 OE1 GLN A 777 7.873 1.569 13.252 1.00 0.00 O flip ATOM 825 NE2 GLN A 777 8.159 2.014 15.414 1.00 0.00 N flip ATOM 0 H GLN A 777 7.010 4.802 11.808 1.00 0.00 H new ATOM 0 HA GLN A 777 9.488 6.033 12.521 1.00 0.00 H new ATOM 0 HB2 GLN A 777 8.714 3.165 11.871 1.00 0.00 H new ATOM 0 HB3 GLN A 777 10.187 3.655 12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 777 9.046 4.271 14.654 1.00 0.00 H new ATOM 0 HG3 GLN A 777 7.495 4.361 13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 777 8.387 2.675 16.157 1.00 0.00 H new ATOM 0 HE22 GLN A 777 7.930 1.047 15.644 1.00 0.00 H new ATOM 834 N MET A 778 9.070 4.732 9.514 1.00 0.00 N ATOM 835 CA MET A 778 9.663 4.464 8.184 1.00 0.00 C ATOM 836 C MET A 778 10.690 3.349 8.262 1.00 0.00 C ATOM 837 O MET A 778 11.893 3.595 8.350 1.00 0.00 O ATOM 838 CB MET A 778 10.265 5.722 7.523 1.00 0.00 C ATOM 839 CG MET A 778 9.236 6.723 7.034 1.00 0.00 C ATOM 840 SD MET A 778 8.155 5.999 5.780 1.00 0.00 S ATOM 841 CE MET A 778 7.172 7.411 5.295 1.00 0.00 C ATOM 0 H MET A 778 8.066 4.555 9.557 1.00 0.00 H new ATOM 0 HA MET A 778 8.843 4.142 7.542 1.00 0.00 H new ATOM 0 HB2 MET A 778 10.923 6.215 8.239 1.00 0.00 H new ATOM 0 HB3 MET A 778 10.884 5.414 6.681 1.00 0.00 H new ATOM 0 HG2 MET A 778 8.637 7.072 7.875 1.00 0.00 H new ATOM 0 HG3 MET A 778 9.743 7.595 6.620 1.00 0.00 H new ATOM 0 HE1 MET A 778 6.460 7.112 4.526 1.00 0.00 H new ATOM 0 HE2 MET A 778 6.631 7.793 6.161 1.00 0.00 H new ATOM 0 HE3 MET A 778 7.824 8.191 4.902 1.00 0.00 H new ATOM 851 N ARG A 779 10.206 2.125 8.268 1.00 0.00 N ATOM 852 CA ARG A 779 11.060 0.950 8.377 1.00 0.00 C ATOM 853 C ARG A 779 11.687 0.622 7.016 1.00 0.00 C ATOM 854 O ARG A 779 11.661 1.447 6.090 1.00 0.00 O ATOM 855 CB ARG A 779 10.221 -0.234 8.857 1.00 0.00 C ATOM 856 CG ARG A 779 9.394 0.044 10.111 1.00 0.00 C ATOM 857 CD ARG A 779 8.519 -1.152 10.454 1.00 0.00 C ATOM 858 NE ARG A 779 7.681 -1.544 9.322 1.00 0.00 N ATOM 859 CZ ARG A 779 6.709 -2.449 9.370 1.00 0.00 C ATOM 860 NH1 ARG A 779 6.388 -3.029 10.508 1.00 0.00 N ATOM 861 NH2 ARG A 779 6.083 -2.771 8.267 1.00 0.00 N ATOM 0 H ARG A 779 9.211 1.911 8.198 1.00 0.00 H new ATOM 0 HA ARG A 779 11.860 1.150 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 779 9.549 -0.537 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 779 10.884 -1.077 9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 779 10.056 0.268 10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 779 8.770 0.924 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 779 9.148 -1.991 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 779 7.888 -0.909 11.309 1.00 0.00 H new ATOM 0 HE ARG A 779 7.856 -1.088 8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 779 6.887 -2.785 11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 779 5.640 -3.722 10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 779 6.343 -2.329 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 779 5.335 -3.464 8.289 1.00 0.00 H new ATOM 875 N ASP A 780 12.186 -0.599 6.869 1.00 0.00 N ATOM 876 CA ASP A 780 12.768 -1.062 5.598 1.00 0.00 C ATOM 877 C ASP A 780 11.685 -1.628 4.686 1.00 0.00 C ATOM 878 O ASP A 780 11.833 -2.715 4.132 1.00 0.00 O ATOM 879 CB ASP A 780 13.847 -2.136 5.850 1.00 0.00 C ATOM 880 CG ASP A 780 15.050 -1.599 6.542 1.00 0.00 C ATOM 881 OD1 ASP A 780 15.980 -1.156 5.861 1.00 0.00 O ATOM 882 OD2 ASP A 780 15.072 -1.597 7.765 1.00 0.00 O ATOM 0 H ASP A 780 12.203 -1.296 7.614 1.00 0.00 H new ATOM 0 HA ASP A 780 13.231 -0.204 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 780 13.419 -2.940 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 780 14.147 -2.573 4.897 1.00 0.00 H new ATOM 887 N ASP A 781 10.564 -0.935 4.613 1.00 0.00 N ATOM 888 CA ASP A 781 9.413 -1.413 3.873 1.00 0.00 C ATOM 889 C ASP A 781 9.450 -1.176 2.394 1.00 0.00 C ATOM 890 O ASP A 781 9.179 -2.091 1.639 1.00 0.00 O ATOM 891 CB ASP A 781 8.101 -0.915 4.449 1.00 0.00 C ATOM 892 CG ASP A 781 7.854 -1.474 5.785 1.00 0.00 C ATOM 893 OD1 ASP A 781 7.545 -2.672 5.868 1.00 0.00 O ATOM 894 OD2 ASP A 781 7.965 -0.749 6.761 1.00 0.00 O ATOM 0 H ASP A 781 10.427 -0.030 5.063 1.00 0.00 H new ATOM 0 HA ASP A 781 9.474 -2.494 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 781 8.117 0.173 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 781 7.283 -1.187 3.782 1.00 0.00 H new ATOM 899 N LEU A 782 9.630 0.064 1.990 1.00 0.00 N ATOM 900 CA LEU A 782 9.540 0.428 0.573 1.00 0.00 C ATOM 901 C LEU A 782 10.578 -0.304 -0.278 1.00 0.00 C ATOM 902 O LEU A 782 10.271 -0.770 -1.384 1.00 0.00 O ATOM 903 CB LEU A 782 9.665 1.945 0.397 1.00 0.00 C ATOM 904 CG LEU A 782 9.446 2.483 -1.021 1.00 0.00 C ATOM 905 CD1 LEU A 782 8.046 2.156 -1.513 1.00 0.00 C ATOM 906 CD2 LEU A 782 9.672 3.978 -1.054 1.00 0.00 C ATOM 0 H LEU A 782 9.840 0.843 2.614 1.00 0.00 H new ATOM 0 HA LEU A 782 8.558 0.114 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 782 8.947 2.427 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.658 2.247 0.728 1.00 0.00 H new ATOM 0 HG LEU A 782 10.165 2.001 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 782 7.914 2.548 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 782 7.907 1.075 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 782 7.311 2.610 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 782 9.513 4.348 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 782 8.973 4.467 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 782 10.693 4.199 -0.743 1.00 0.00 H new ATOM 918 N GLU A 783 11.796 -0.389 0.218 1.00 0.00 N ATOM 919 CA GLU A 783 12.855 -1.048 -0.507 1.00 0.00 C ATOM 920 C GLU A 783 12.824 -2.565 -0.228 1.00 0.00 C ATOM 921 O GLU A 783 12.914 -3.383 -1.171 1.00 0.00 O ATOM 922 CB GLU A 783 14.207 -0.431 -0.096 1.00 0.00 C ATOM 923 CG GLU A 783 15.399 -0.834 -0.939 1.00 0.00 C ATOM 924 CD GLU A 783 16.668 -0.201 -0.455 1.00 0.00 C ATOM 925 OE1 GLU A 783 16.937 0.949 -0.828 1.00 0.00 O ATOM 926 OE2 GLU A 783 17.384 -0.835 0.320 1.00 0.00 O ATOM 0 H GLU A 783 12.074 -0.008 1.122 1.00 0.00 H new ATOM 0 HA GLU A 783 12.717 -0.905 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 783 14.114 0.655 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 783 14.410 -0.704 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 783 15.505 -1.919 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 783 15.223 -0.547 -1.976 1.00 0.00 H new ATOM 933 N LYS A 784 12.727 -2.929 1.079 1.00 0.00 N ATOM 934 CA LYS A 784 12.753 -4.340 1.555 1.00 0.00 C ATOM 935 C LYS A 784 14.090 -5.015 1.244 1.00 0.00 C ATOM 936 O LYS A 784 15.021 -4.381 0.703 1.00 0.00 O ATOM 937 CB LYS A 784 11.584 -5.204 0.988 1.00 0.00 C ATOM 938 CG LYS A 784 10.187 -4.965 1.579 1.00 0.00 C ATOM 939 CD LYS A 784 10.128 -5.310 3.071 1.00 0.00 C ATOM 940 CE LYS A 784 8.681 -5.362 3.603 1.00 0.00 C ATOM 941 NZ LYS A 784 7.922 -4.095 3.390 1.00 0.00 N ATOM 0 H LYS A 784 12.628 -2.251 1.834 1.00 0.00 H new ATOM 0 HA LYS A 784 12.622 -4.282 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 784 11.530 -5.035 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 784 11.838 -6.254 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 784 9.907 -3.921 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 784 9.457 -5.567 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 784 10.609 -6.274 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 784 10.694 -4.569 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 784 8.152 -6.180 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 784 8.702 -5.589 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 7.825 -3.592 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 8.433 -3.494 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 6.978 -4.315 3.013 1.00 0.00 H new ATOM 955 N GLU A 785 14.179 -6.299 1.605 1.00 0.00 N ATOM 956 CA GLU A 785 15.361 -7.129 1.386 1.00 0.00 C ATOM 957 C GLU A 785 16.625 -6.474 1.969 1.00 0.00 C ATOM 958 O GLU A 785 16.610 -6.036 3.114 1.00 0.00 O ATOM 959 CB GLU A 785 15.488 -7.479 -0.109 1.00 0.00 C ATOM 960 CG GLU A 785 14.242 -8.179 -0.657 1.00 0.00 C ATOM 961 CD GLU A 785 14.321 -8.458 -2.113 1.00 0.00 C ATOM 962 OE1 GLU A 785 13.958 -7.582 -2.907 1.00 0.00 O ATOM 963 OE2 GLU A 785 14.746 -9.557 -2.475 1.00 0.00 O ATOM 0 H GLU A 785 13.417 -6.796 2.065 1.00 0.00 H new ATOM 0 HA GLU A 785 15.245 -8.068 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 785 15.668 -6.567 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 785 16.356 -8.122 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 785 14.095 -9.117 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 785 13.368 -7.558 -0.459 1.00 0.00 H new ATOM 970 N ARG A 786 17.701 -6.402 1.204 1.00 0.00 N ATOM 971 CA ARG A 786 18.928 -5.803 1.712 1.00 0.00 C ATOM 972 C ARG A 786 19.658 -5.080 0.588 1.00 0.00 C ATOM 973 O ARG A 786 20.013 -5.715 -0.421 1.00 0.00 O ATOM 974 CB ARG A 786 19.824 -6.904 2.300 1.00 0.00 C ATOM 975 CG ARG A 786 21.033 -6.424 3.086 1.00 0.00 C ATOM 976 CD ARG A 786 21.876 -7.611 3.524 1.00 0.00 C ATOM 977 NE ARG A 786 22.958 -7.234 4.425 1.00 0.00 N ATOM 978 CZ ARG A 786 24.156 -7.832 4.481 1.00 0.00 C ATOM 979 NH1 ARG A 786 24.484 -8.770 3.586 1.00 0.00 N ATOM 980 NH2 ARG A 786 25.019 -7.481 5.419 1.00 0.00 N ATOM 0 H ARG A 786 17.753 -6.744 0.244 1.00 0.00 H new ATOM 0 HA ARG A 786 18.684 -5.081 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 786 19.216 -7.531 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 786 20.173 -7.537 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 786 21.631 -5.750 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 786 20.708 -5.857 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 786 21.236 -8.342 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 786 22.296 -8.097 2.643 1.00 0.00 H new ATOM 0 HE ARG A 786 22.790 -6.455 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 786 23.821 -9.033 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 786 25.397 -9.222 3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 786 24.772 -6.759 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 786 25.932 -7.933 5.467 1.00 0.00 H new ATOM 994 N GLU A 787 19.917 -3.772 0.785 1.00 0.00 N ATOM 995 CA GLU A 787 20.652 -2.898 -0.176 1.00 0.00 C ATOM 996 C GLU A 787 19.894 -2.642 -1.483 1.00 0.00 C ATOM 997 O GLU A 787 19.024 -3.423 -1.893 1.00 0.00 O ATOM 998 CB GLU A 787 22.053 -3.451 -0.495 1.00 0.00 C ATOM 999 CG GLU A 787 22.988 -3.526 0.695 1.00 0.00 C ATOM 1000 CD GLU A 787 24.249 -4.236 0.364 1.00 0.00 C ATOM 1001 OE1 GLU A 787 25.074 -3.686 -0.371 1.00 0.00 O ATOM 1002 OE2 GLU A 787 24.419 -5.366 0.825 1.00 0.00 O ATOM 0 H GLU A 787 19.621 -3.277 1.626 1.00 0.00 H new ATOM 0 HA GLU A 787 20.747 -1.941 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 787 21.947 -4.449 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 787 22.511 -2.825 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 787 23.219 -2.518 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 787 22.488 -4.038 1.518 1.00 0.00 H new ATOM 1009 N ASP A 788 20.304 -1.593 -2.176 1.00 0.00 N ATOM 1010 CA ASP A 788 19.754 -1.277 -3.484 1.00 0.00 C ATOM 1011 C ASP A 788 20.538 -2.044 -4.520 1.00 0.00 C ATOM 1012 O ASP A 788 21.771 -2.047 -4.491 1.00 0.00 O ATOM 1013 CB ASP A 788 19.846 0.225 -3.769 1.00 0.00 C ATOM 1014 CG ASP A 788 19.245 0.610 -5.091 1.00 0.00 C ATOM 1015 OD1 ASP A 788 18.022 0.791 -5.159 1.00 0.00 O ATOM 1016 OD2 ASP A 788 19.990 0.779 -6.061 1.00 0.00 O ATOM 0 H ASP A 788 21.020 -0.942 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 788 18.701 -1.557 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 788 19.340 0.772 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 788 20.892 0.529 -3.750 1.00 0.00 H new ATOM 1021 N LEU A 789 19.846 -2.737 -5.383 1.00 0.00 N ATOM 1022 CA LEU A 789 20.502 -3.552 -6.379 1.00 0.00 C ATOM 1023 C LEU A 789 20.838 -2.731 -7.612 1.00 0.00 C ATOM 1024 O LEU A 789 19.977 -2.490 -8.465 1.00 0.00 O ATOM 1025 CB LEU A 789 19.621 -4.745 -6.757 1.00 0.00 C ATOM 1026 CG LEU A 789 20.235 -5.742 -7.741 1.00 0.00 C ATOM 1027 CD1 LEU A 789 21.488 -6.374 -7.167 1.00 0.00 C ATOM 1028 CD2 LEU A 789 19.235 -6.808 -8.099 1.00 0.00 C ATOM 0 H LEU A 789 18.827 -2.756 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 789 21.433 -3.927 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 789 19.356 -5.280 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 789 18.693 -4.366 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 789 20.511 -5.197 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 789 21.903 -7.078 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 789 22.223 -5.597 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 789 21.240 -6.901 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 789 19.687 -7.510 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 789 18.932 -7.340 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 789 18.361 -6.347 -8.559 1.00 0.00 H new ATOM 1040 N ASP A 790 22.076 -2.311 -7.706 1.00 0.00 N ATOM 1041 CA ASP A 790 22.553 -1.535 -8.846 1.00 0.00 C ATOM 1042 C ASP A 790 23.914 -2.061 -9.263 1.00 0.00 C ATOM 1043 O ASP A 790 24.631 -2.630 -8.444 1.00 0.00 O ATOM 1044 CB ASP A 790 22.638 -0.043 -8.486 1.00 0.00 C ATOM 1045 CG ASP A 790 23.094 0.809 -9.622 1.00 0.00 C ATOM 1046 OD1 ASP A 790 22.325 0.991 -10.574 1.00 0.00 O ATOM 1047 OD2 ASP A 790 24.218 1.294 -9.574 1.00 0.00 O ATOM 0 H ASP A 790 22.789 -2.493 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 790 21.853 -1.638 -9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 790 21.659 0.300 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 790 23.323 0.084 -7.647 1.00 0.00 H new ATOM 1052 N LEU A 791 24.270 -1.887 -10.510 1.00 0.00 N ATOM 1053 CA LEU A 791 25.553 -2.370 -10.994 1.00 0.00 C ATOM 1054 C LEU A 791 26.600 -1.265 -10.849 1.00 0.00 C ATOM 1055 O LEU A 791 27.587 -1.437 -10.116 1.00 0.00 O ATOM 1056 CB LEU A 791 25.421 -2.870 -12.463 1.00 0.00 C ATOM 1057 CG LEU A 791 26.587 -3.706 -13.069 1.00 0.00 C ATOM 1058 CD1 LEU A 791 26.143 -4.344 -14.355 1.00 0.00 C ATOM 1059 CD2 LEU A 791 27.815 -2.866 -13.362 1.00 0.00 C ATOM 0 H LEU A 791 23.698 -1.418 -11.212 1.00 0.00 H new ATOM 0 HA LEU A 791 25.881 -3.221 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 791 24.513 -3.470 -12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 791 25.273 -1.997 -13.099 1.00 0.00 H new ATOM 0 HG LEU A 791 26.851 -4.457 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 791 26.963 -4.927 -14.774 1.00 0.00 H new ATOM 0 HD12 LEU A 791 25.293 -4.999 -14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 791 25.850 -3.569 -15.063 1.00 0.00 H new ATOM 0 HD21 LEU A 791 28.597 -3.499 -13.783 1.00 0.00 H new ATOM 0 HD22 LEU A 791 27.558 -2.083 -14.076 1.00 0.00 H new ATOM 0 HD23 LEU A 791 28.174 -2.412 -12.438 1.00 0.00 H new ATOM 1071 N ASP A 792 26.355 -0.147 -11.554 1.00 0.00 N ATOM 1072 CA ASP A 792 27.214 1.068 -11.601 1.00 0.00 C ATOM 1073 C ASP A 792 28.491 0.817 -12.407 1.00 0.00 C ATOM 1074 O ASP A 792 29.208 -0.161 -12.185 1.00 0.00 O ATOM 1075 CB ASP A 792 27.540 1.630 -10.204 1.00 0.00 C ATOM 1076 CG ASP A 792 28.138 3.007 -10.252 1.00 0.00 C ATOM 1077 OD1 ASP A 792 29.315 3.145 -10.579 1.00 0.00 O ATOM 1078 OD2 ASP A 792 27.419 3.970 -9.949 1.00 0.00 O ATOM 0 H ASP A 792 25.521 -0.053 -12.133 1.00 0.00 H new ATOM 0 HA ASP A 792 26.631 1.833 -12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 792 26.629 1.656 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 792 28.233 0.956 -9.700 1.00 0.00 H new ATOM 1083 N HIS A 793 28.734 1.689 -13.378 1.00 0.00 N ATOM 1084 CA HIS A 793 29.877 1.570 -14.311 1.00 0.00 C ATOM 1085 C HIS A 793 31.222 1.569 -13.590 1.00 0.00 C ATOM 1086 O HIS A 793 32.131 0.827 -13.961 1.00 0.00 O ATOM 1087 CB HIS A 793 29.842 2.697 -15.359 1.00 0.00 C ATOM 1088 CG HIS A 793 28.565 2.753 -16.155 1.00 0.00 C ATOM 1089 ND1 HIS A 793 27.966 3.936 -16.538 1.00 0.00 N ATOM 1090 CD2 HIS A 793 27.753 1.756 -16.607 1.00 0.00 C ATOM 1091 CE1 HIS A 793 26.837 3.665 -17.189 1.00 0.00 C ATOM 1092 NE2 HIS A 793 26.686 2.345 -17.243 1.00 0.00 N ATOM 0 H HIS A 793 28.149 2.506 -13.551 1.00 0.00 H new ATOM 0 HA HIS A 793 29.774 0.607 -14.811 1.00 0.00 H new ATOM 0 HB2 HIS A 793 29.986 3.653 -14.855 1.00 0.00 H new ATOM 0 HB3 HIS A 793 30.680 2.568 -16.044 1.00 0.00 H new ATOM 0 HD2 HIS A 793 27.918 0.695 -16.487 1.00 0.00 H new ATOM 0 HE1 HIS A 793 26.158 4.395 -17.604 1.00 0.00 H new ATOM 0 HE2 HIS A 793 25.909 1.852 -17.683 1.00 0.00 H new ATOM 1101 N SER A 794 31.327 2.351 -12.544 1.00 0.00 N ATOM 1102 CA SER A 794 32.533 2.400 -11.748 1.00 0.00 C ATOM 1103 C SER A 794 32.180 2.034 -10.314 1.00 0.00 C ATOM 1104 O SER A 794 32.410 2.824 -9.381 1.00 0.00 O ATOM 1105 CB SER A 794 33.138 3.795 -11.819 1.00 0.00 C ATOM 1106 OG SER A 794 33.301 4.202 -13.174 1.00 0.00 O ATOM 0 H SER A 794 30.584 2.970 -12.220 1.00 0.00 H new ATOM 0 HA SER A 794 33.270 1.693 -12.128 1.00 0.00 H new ATOM 0 HB2 SER A 794 32.495 4.503 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 794 34.103 3.805 -11.312 1.00 0.00 H new ATOM 0 HG SER A 794 33.689 5.101 -13.201 1.00 0.00 H new ATOM 1112 N SER A 795 31.496 0.889 -10.195 1.00 0.00 N ATOM 1113 CA SER A 795 30.909 0.365 -8.953 1.00 0.00 C ATOM 1114 C SER A 795 31.746 0.637 -7.698 1.00 0.00 C ATOM 1115 O SER A 795 31.327 1.419 -6.833 1.00 0.00 O ATOM 1116 CB SER A 795 30.607 -1.126 -9.115 1.00 0.00 C ATOM 1117 OG SER A 795 29.891 -1.640 -8.002 1.00 0.00 O ATOM 0 H SER A 795 31.329 0.277 -10.993 1.00 0.00 H new ATOM 0 HA SER A 795 29.981 0.912 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 795 30.028 -1.283 -10.025 1.00 0.00 H new ATOM 0 HB3 SER A 795 31.541 -1.676 -9.233 1.00 0.00 H new ATOM 0 HG SER A 795 28.949 -1.758 -8.245 1.00 0.00 H new ATOM 1123 N LEU A 796 32.906 0.030 -7.595 1.00 0.00 N ATOM 1124 CA LEU A 796 33.760 0.252 -6.456 1.00 0.00 C ATOM 1125 C LEU A 796 35.153 0.478 -6.994 1.00 0.00 C ATOM 1126 CB LEU A 796 33.713 -0.980 -5.513 1.00 0.00 C ATOM 1127 CG LEU A 796 34.110 -0.782 -4.017 1.00 0.00 C ATOM 1128 CD1 LEU A 796 33.899 -2.066 -3.244 1.00 0.00 C ATOM 1129 CD2 LEU A 796 35.551 -0.337 -3.851 1.00 0.00 C ATOM 0 H LEU A 796 33.278 -0.621 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 796 33.437 1.115 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 796 32.699 -1.379 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 796 34.367 -1.745 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 796 33.467 0.006 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 796 34.180 -1.914 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 796 32.849 -2.355 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 796 34.516 -2.855 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 796 35.774 -0.214 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 796 36.215 -1.089 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 796 35.700 0.612 -4.365 1.00 0.00 H new TER 1141 LEU A 796