USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 996 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 880 HIS : no HE2:sc= 1.15 K(o=2.4,f=-7.4!) USER MOD Set 1.2: A 883 SER OG : rot 44:sc= 1.28 USER MOD Set 2.1: A 833 THR OG1 : rot 76:sc= 0.699 USER MOD Set 2.2: A 867 THR OG1 : rot 67:sc= 0.309 USER MOD Set 3.1: A 811 ASN : amide:sc= 0.543 K(o=1.8,f=-1.6!) USER MOD Set 3.2: A 825 GLN : amide:sc= 1.27 K(o=1.8,f=-2.5) USER MOD Set 4.1: A 784 HIS : no HE2:sc= -0.617 K(o=-0.12,f=-1.9) USER MOD Set 4.2: A 852 ASN : amide:sc= 0.497 K(o=-0.12,f=-1.6) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.2) USER MOD Single : A 754 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 755 GLN : amide:sc= -0.492 K(o=-0.49,f=-6.3!) USER MOD Single : A 758 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 762 GLN : amide:sc= 0.986 K(o=0.99,f=-0.2) USER MOD Single : A 772 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 775 THR OG1 : rot 82:sc= 1.16 USER MOD Single : A 776 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.38) USER MOD Single : A 779 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.29) USER MOD Single : A 783 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 790 THR OG1 : rot -169:sc= 0.582! USER MOD Single : A 798 TYR OH : rot 13:sc= 1.22 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 802 THR OG1 : rot 120:sc= -0.407 USER MOD Single : A 804 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 807 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 809 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 814 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 MET CE :methyl 160:sc= -0.492 (180deg=-1.82) USER MOD Single : A 822 MET CE :methyl 165:sc= -0.387 (180deg=-1.18) USER MOD Single : A 831 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.11) USER MOD Single : A 834 SER OG : rot 89:sc= 1.27 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 SER OG : rot 180:sc= 0.121 USER MOD Single : A 853 SER OG : rot 118:sc= -0.11 USER MOD Single : A 855 LYS NZ :NH3+ -142:sc= 1.22 (180deg=-0.696) USER MOD Single : A 858 SER OG : rot 85:sc= 1.08 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 167:sc= -5.89! (180deg=-6.09!) USER MOD Single : A 875 LYS NZ :NH3+ -134:sc= 1.03 (180deg=-0.559) USER MOD Single : A 886 GLN : amide:sc= 0.597 K(o=0.6,f=-0.33) USER MOD Single : A 887 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 888 GLN : amide:sc= -3.21! K(o=-3.2!,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -18.640 -2.851 -9.630 1.00 0.00 N ATOM 2 CA GLY A 751 -19.112 -3.988 -8.804 1.00 0.00 C ATOM 3 C GLY A 751 -19.649 -5.122 -9.652 1.00 0.00 C ATOM 4 O GLY A 751 -19.341 -5.205 -10.845 1.00 0.00 O ATOM 0 HA2 GLY A 751 -18.291 -4.354 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -19.891 -3.643 -8.124 1.00 0.00 H new ATOM 10 N SER A 752 -20.447 -5.995 -9.033 1.00 0.00 N ATOM 11 CA SER A 752 -21.060 -7.134 -9.718 1.00 0.00 C ATOM 12 C SER A 752 -20.014 -8.049 -10.359 1.00 0.00 C ATOM 13 O SER A 752 -20.223 -8.589 -11.449 1.00 0.00 O ATOM 14 CB SER A 752 -22.060 -6.639 -10.764 1.00 0.00 C ATOM 15 OG SER A 752 -22.949 -5.691 -10.197 1.00 0.00 O ATOM 0 H SER A 752 -20.686 -5.932 -8.043 1.00 0.00 H new ATOM 0 HA SER A 752 -21.588 -7.727 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 752 -21.526 -6.189 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 752 -22.625 -7.482 -11.162 1.00 0.00 H new ATOM 0 HG SER A 752 -23.580 -5.384 -10.881 1.00 0.00 H new ATOM 21 N HIS A 753 -18.895 -8.228 -9.672 1.00 0.00 N ATOM 22 CA HIS A 753 -17.832 -9.104 -10.141 1.00 0.00 C ATOM 23 C HIS A 753 -17.035 -9.621 -8.950 1.00 0.00 C ATOM 24 O HIS A 753 -17.459 -9.463 -7.806 1.00 0.00 O ATOM 25 CB HIS A 753 -16.912 -8.357 -11.115 1.00 0.00 C ATOM 26 CG HIS A 753 -16.413 -9.207 -12.245 1.00 0.00 C ATOM 27 ND1 HIS A 753 -15.094 -9.237 -12.633 1.00 0.00 N ATOM 28 CD2 HIS A 753 -17.062 -10.066 -13.067 1.00 0.00 C ATOM 29 CE1 HIS A 753 -14.952 -10.074 -13.643 1.00 0.00 C ATOM 30 NE2 HIS A 753 -16.131 -10.595 -13.927 1.00 0.00 N ATOM 0 H HIS A 753 -18.699 -7.774 -8.780 1.00 0.00 H new ATOM 0 HA HIS A 753 -18.274 -9.949 -10.670 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -17.449 -7.502 -11.525 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -16.058 -7.963 -10.564 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -18.118 -10.293 -13.049 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -14.026 -10.296 -14.152 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -16.319 -11.277 -14.662 1.00 0.00 H new ATOM 39 N MET A 754 -15.882 -10.220 -9.209 1.00 0.00 N ATOM 40 CA MET A 754 -15.028 -10.724 -8.143 1.00 0.00 C ATOM 41 C MET A 754 -14.098 -9.626 -7.633 1.00 0.00 C ATOM 42 O MET A 754 -12.916 -9.858 -7.383 1.00 0.00 O ATOM 43 CB MET A 754 -14.214 -11.923 -8.636 1.00 0.00 C ATOM 44 CG MET A 754 -13.942 -12.956 -7.555 1.00 0.00 C ATOM 45 SD MET A 754 -13.366 -14.528 -8.225 1.00 0.00 S ATOM 46 CE MET A 754 -14.780 -15.575 -7.886 1.00 0.00 C ATOM 0 H MET A 754 -15.516 -10.369 -10.149 1.00 0.00 H new ATOM 0 HA MET A 754 -15.663 -11.047 -7.318 1.00 0.00 H new ATOM 0 HB2 MET A 754 -14.747 -12.401 -9.458 1.00 0.00 H new ATOM 0 HB3 MET A 754 -13.264 -11.568 -9.035 1.00 0.00 H new ATOM 0 HG2 MET A 754 -13.195 -12.565 -6.864 1.00 0.00 H new ATOM 0 HG3 MET A 754 -14.853 -13.123 -6.980 1.00 0.00 H new ATOM 0 HE1 MET A 754 -14.579 -16.585 -8.243 1.00 0.00 H new ATOM 0 HE2 MET A 754 -14.965 -15.600 -6.812 1.00 0.00 H new ATOM 0 HE3 MET A 754 -15.657 -15.178 -8.397 1.00 0.00 H new ATOM 56 N GLN A 755 -14.642 -8.424 -7.485 1.00 0.00 N ATOM 57 CA GLN A 755 -13.872 -7.292 -6.988 1.00 0.00 C ATOM 58 C GLN A 755 -13.646 -7.430 -5.487 1.00 0.00 C ATOM 59 O GLN A 755 -12.651 -6.942 -4.952 1.00 0.00 O ATOM 60 CB GLN A 755 -14.584 -5.970 -7.312 1.00 0.00 C ATOM 61 CG GLN A 755 -15.733 -5.625 -6.370 1.00 0.00 C ATOM 62 CD GLN A 755 -17.015 -6.355 -6.716 1.00 0.00 C ATOM 63 OE1 GLN A 755 -17.374 -6.480 -7.885 1.00 0.00 O ATOM 64 NE2 GLN A 755 -17.712 -6.849 -5.704 1.00 0.00 N ATOM 0 H GLN A 755 -15.615 -8.209 -7.703 1.00 0.00 H new ATOM 0 HA GLN A 755 -12.902 -7.284 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -13.853 -5.162 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -14.968 -6.019 -8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -15.445 -5.870 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -15.912 -4.550 -6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -17.381 -6.724 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -18.580 -7.354 -5.881 1.00 0.00 H new ATOM 73 N ALA A 756 -14.578 -8.114 -4.831 1.00 0.00 N ATOM 74 CA ALA A 756 -14.524 -8.354 -3.395 1.00 0.00 C ATOM 75 C ALA A 756 -15.711 -9.204 -2.970 1.00 0.00 C ATOM 76 O ALA A 756 -16.799 -8.683 -2.725 1.00 0.00 O ATOM 77 CB ALA A 756 -14.514 -7.043 -2.619 1.00 0.00 C ATOM 0 H ALA A 756 -15.397 -8.519 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 756 -13.599 -8.886 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -14.473 -7.253 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -13.642 -6.456 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -15.420 -6.480 -2.844 1.00 0.00 H new ATOM 83 N ALA A 757 -15.511 -10.513 -2.924 1.00 0.00 N ATOM 84 CA ALA A 757 -16.558 -11.430 -2.499 1.00 0.00 C ATOM 85 C ALA A 757 -16.909 -11.205 -1.034 1.00 0.00 C ATOM 86 O ALA A 757 -16.039 -10.863 -0.225 1.00 0.00 O ATOM 87 CB ALA A 757 -16.131 -12.872 -2.729 1.00 0.00 C ATOM 0 H ALA A 757 -14.632 -10.964 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 757 -17.447 -11.234 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -16.927 -13.543 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -15.934 -13.028 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -15.226 -13.079 -2.157 1.00 0.00 H new ATOM 93 N THR A 758 -18.184 -11.406 -0.707 1.00 0.00 N ATOM 94 CA THR A 758 -18.697 -11.193 0.642 1.00 0.00 C ATOM 95 C THR A 758 -18.346 -9.798 1.161 1.00 0.00 C ATOM 96 O THR A 758 -17.763 -9.643 2.237 1.00 0.00 O ATOM 97 CB THR A 758 -18.188 -12.262 1.626 1.00 0.00 C ATOM 98 OG1 THR A 758 -17.582 -13.355 0.915 1.00 0.00 O ATOM 99 CG2 THR A 758 -19.331 -12.787 2.480 1.00 0.00 C ATOM 0 H THR A 758 -18.890 -11.722 -1.372 1.00 0.00 H new ATOM 0 HA THR A 758 -19.782 -11.278 0.578 1.00 0.00 H new ATOM 0 HB THR A 758 -17.442 -11.798 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 758 -17.262 -14.025 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 758 -18.953 -13.542 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 758 -19.769 -11.965 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 758 -20.091 -13.231 1.837 1.00 0.00 H new ATOM 107 N GLU A 759 -18.702 -8.786 0.384 1.00 0.00 N ATOM 108 CA GLU A 759 -18.461 -7.406 0.767 1.00 0.00 C ATOM 109 C GLU A 759 -19.768 -6.747 1.182 1.00 0.00 C ATOM 110 O GLU A 759 -20.583 -6.366 0.337 1.00 0.00 O ATOM 111 CB GLU A 759 -17.816 -6.631 -0.385 1.00 0.00 C ATOM 112 CG GLU A 759 -16.764 -5.625 0.061 1.00 0.00 C ATOM 113 CD GLU A 759 -16.758 -5.410 1.560 1.00 0.00 C ATOM 114 OE1 GLU A 759 -17.580 -4.610 2.054 1.00 0.00 O ATOM 115 OE2 GLU A 759 -15.948 -6.061 2.249 1.00 0.00 O ATOM 0 H GLU A 759 -19.161 -8.897 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 759 -17.774 -7.394 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -17.358 -7.340 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -18.595 -6.106 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -15.780 -5.970 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -16.944 -4.673 -0.438 1.00 0.00 H new ATOM 122 N ASP A 760 -19.958 -6.610 2.487 1.00 0.00 N ATOM 123 CA ASP A 760 -21.214 -6.111 3.030 1.00 0.00 C ATOM 124 C ASP A 760 -21.061 -4.706 3.601 1.00 0.00 C ATOM 125 O ASP A 760 -21.864 -4.273 4.429 1.00 0.00 O ATOM 126 CB ASP A 760 -21.735 -7.054 4.112 1.00 0.00 C ATOM 127 CG ASP A 760 -22.830 -7.971 3.607 1.00 0.00 C ATOM 128 OD1 ASP A 760 -23.208 -7.863 2.420 1.00 0.00 O ATOM 129 OD2 ASP A 760 -23.307 -8.817 4.394 1.00 0.00 O ATOM 0 H ASP A 760 -19.256 -6.838 3.191 1.00 0.00 H new ATOM 0 HA ASP A 760 -21.931 -6.067 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -20.910 -7.655 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -22.115 -6.467 4.948 1.00 0.00 H new ATOM 134 N GLY A 761 -20.032 -3.998 3.163 1.00 0.00 N ATOM 135 CA GLY A 761 -19.844 -2.628 3.596 1.00 0.00 C ATOM 136 C GLY A 761 -18.745 -2.499 4.624 1.00 0.00 C ATOM 137 O GLY A 761 -18.843 -1.701 5.559 1.00 0.00 O ATOM 0 H GLY A 761 -19.324 -4.346 2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.607 -2.006 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -20.777 -2.250 4.015 1.00 0.00 H new ATOM 141 N GLN A 762 -17.688 -3.276 4.446 1.00 0.00 N ATOM 142 CA GLN A 762 -16.563 -3.261 5.365 1.00 0.00 C ATOM 143 C GLN A 762 -15.545 -2.217 4.923 1.00 0.00 C ATOM 144 O GLN A 762 -14.398 -2.538 4.606 1.00 0.00 O ATOM 145 CB GLN A 762 -15.920 -4.648 5.436 1.00 0.00 C ATOM 146 CG GLN A 762 -16.917 -5.759 5.731 1.00 0.00 C ATOM 147 CD GLN A 762 -16.299 -7.140 5.650 1.00 0.00 C ATOM 148 OE1 GLN A 762 -16.185 -7.838 6.655 1.00 0.00 O ATOM 149 NE2 GLN A 762 -15.892 -7.542 4.459 1.00 0.00 N ATOM 0 H GLN A 762 -17.587 -3.928 3.668 1.00 0.00 H new ATOM 0 HA GLN A 762 -16.920 -2.998 6.361 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -15.421 -4.859 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -15.151 -4.645 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -17.335 -5.611 6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -17.745 -5.695 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -16.005 -6.932 3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -15.465 -8.462 4.350 1.00 0.00 H new ATOM 158 N LEU A 763 -15.983 -0.964 4.909 1.00 0.00 N ATOM 159 CA LEU A 763 -15.161 0.142 4.438 1.00 0.00 C ATOM 160 C LEU A 763 -13.912 0.303 5.296 1.00 0.00 C ATOM 161 O LEU A 763 -12.796 0.093 4.830 1.00 0.00 O ATOM 162 CB LEU A 763 -15.968 1.443 4.445 1.00 0.00 C ATOM 163 CG LEU A 763 -16.210 2.075 3.071 1.00 0.00 C ATOM 164 CD1 LEU A 763 -14.894 2.305 2.343 1.00 0.00 C ATOM 165 CD2 LEU A 763 -17.139 1.203 2.238 1.00 0.00 C ATOM 0 H LEU A 763 -16.913 -0.688 5.222 1.00 0.00 H new ATOM 0 HA LEU A 763 -14.850 -0.082 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -16.934 1.249 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.450 2.168 5.073 1.00 0.00 H new ATOM 0 HG LEU A 763 -16.689 3.043 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.090 2.755 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.265 2.973 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.383 1.352 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -17.299 1.668 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -16.689 0.220 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -18.095 1.096 2.751 1.00 0.00 H new ATOM 177 N LEU A 764 -14.100 0.649 6.556 1.00 0.00 N ATOM 178 CA LEU A 764 -12.974 0.903 7.440 1.00 0.00 C ATOM 179 C LEU A 764 -12.383 -0.405 7.952 1.00 0.00 C ATOM 180 O LEU A 764 -11.229 -0.454 8.379 1.00 0.00 O ATOM 181 CB LEU A 764 -13.400 1.786 8.612 1.00 0.00 C ATOM 182 CG LEU A 764 -13.182 3.283 8.402 1.00 0.00 C ATOM 183 CD1 LEU A 764 -14.504 4.028 8.488 1.00 0.00 C ATOM 184 CD2 LEU A 764 -12.192 3.822 9.423 1.00 0.00 C ATOM 0 H LEU A 764 -15.016 0.761 6.990 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.207 1.427 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -14.457 1.612 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -12.851 1.475 9.501 1.00 0.00 H new ATOM 0 HG LEU A 764 -12.766 3.439 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -14.332 5.094 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -15.181 3.657 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -14.948 3.869 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -12.047 4.890 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -12.580 3.657 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -11.238 3.306 9.313 1.00 0.00 H new ATOM 196 N ARG A 765 -13.177 -1.463 7.906 1.00 0.00 N ATOM 197 CA ARG A 765 -12.710 -2.778 8.314 1.00 0.00 C ATOM 198 C ARG A 765 -11.740 -3.345 7.281 1.00 0.00 C ATOM 199 O ARG A 765 -10.664 -3.828 7.628 1.00 0.00 O ATOM 200 CB ARG A 765 -13.890 -3.731 8.512 1.00 0.00 C ATOM 201 CG ARG A 765 -14.017 -4.254 9.934 1.00 0.00 C ATOM 202 CD ARG A 765 -13.009 -5.356 10.215 1.00 0.00 C ATOM 203 NE ARG A 765 -13.398 -6.180 11.360 1.00 0.00 N ATOM 204 CZ ARG A 765 -12.698 -6.267 12.493 1.00 0.00 C ATOM 205 NH1 ARG A 765 -11.567 -5.586 12.637 1.00 0.00 N ATOM 206 NH2 ARG A 765 -13.126 -7.045 13.482 1.00 0.00 N ATOM 0 H ARG A 765 -14.147 -1.437 7.591 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.186 -2.675 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -14.812 -3.217 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -13.783 -4.575 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -13.868 -3.435 10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -15.026 -4.633 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -12.908 -5.988 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -12.031 -4.913 10.404 1.00 0.00 H new ATOM 0 HE ARG A 765 -14.259 -6.722 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -11.229 -4.992 11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -11.036 -5.656 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -13.990 -7.576 13.375 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -12.590 -7.111 14.347 1.00 0.00 H new ATOM 220 N GLY A 766 -12.118 -3.273 6.012 1.00 0.00 N ATOM 221 CA GLY A 766 -11.271 -3.795 4.958 1.00 0.00 C ATOM 222 C GLY A 766 -10.270 -2.775 4.462 1.00 0.00 C ATOM 223 O GLY A 766 -9.059 -2.985 4.563 1.00 0.00 O ATOM 0 H GLY A 766 -12.996 -2.863 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -10.739 -4.673 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.893 -4.124 4.125 1.00 0.00 H new ATOM 227 N VAL A 767 -10.777 -1.663 3.941 1.00 0.00 N ATOM 228 CA VAL A 767 -9.926 -0.619 3.380 1.00 0.00 C ATOM 229 C VAL A 767 -9.082 0.031 4.465 1.00 0.00 C ATOM 230 O VAL A 767 -7.886 0.232 4.285 1.00 0.00 O ATOM 231 CB VAL A 767 -10.747 0.478 2.669 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.843 1.371 1.833 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.841 -0.135 1.810 1.00 0.00 C ATOM 0 H VAL A 767 -11.776 -1.461 3.895 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.282 -1.105 2.647 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.222 1.093 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.442 2.137 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.105 1.847 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.333 0.770 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.406 0.658 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.392 -0.781 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.511 -0.722 2.438 1.00 0.00 H new ATOM 243 N GLY A 768 -9.714 0.346 5.590 1.00 0.00 N ATOM 244 CA GLY A 768 -9.008 0.976 6.693 1.00 0.00 C ATOM 245 C GLY A 768 -7.782 0.195 7.123 1.00 0.00 C ATOM 246 O GLY A 768 -6.680 0.744 7.193 1.00 0.00 O ATOM 0 H GLY A 768 -10.705 0.176 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.709 1.982 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.685 1.079 7.541 1.00 0.00 H new ATOM 250 N ALA A 769 -7.967 -1.093 7.387 1.00 0.00 N ATOM 251 CA ALA A 769 -6.868 -1.957 7.801 1.00 0.00 C ATOM 252 C ALA A 769 -5.806 -2.057 6.711 1.00 0.00 C ATOM 253 O ALA A 769 -4.609 -1.962 6.985 1.00 0.00 O ATOM 254 CB ALA A 769 -7.389 -3.340 8.158 1.00 0.00 C ATOM 0 H ALA A 769 -8.870 -1.563 7.322 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.406 -1.515 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.557 -3.974 8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.105 -3.259 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.879 -3.780 7.289 1.00 0.00 H new ATOM 260 N ALA A 770 -6.255 -2.229 5.473 1.00 0.00 N ATOM 261 CA ALA A 770 -5.351 -2.373 4.340 1.00 0.00 C ATOM 262 C ALA A 770 -4.544 -1.097 4.114 1.00 0.00 C ATOM 263 O ALA A 770 -3.330 -1.145 3.912 1.00 0.00 O ATOM 264 CB ALA A 770 -6.137 -2.738 3.091 1.00 0.00 C ATOM 0 H ALA A 770 -7.244 -2.272 5.229 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.647 -3.175 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.453 -2.844 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.661 -3.680 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.861 -1.953 2.874 1.00 0.00 H new ATOM 270 N ALA A 771 -5.225 0.040 4.162 1.00 0.00 N ATOM 271 CA ALA A 771 -4.582 1.333 3.980 1.00 0.00 C ATOM 272 C ALA A 771 -3.559 1.586 5.082 1.00 0.00 C ATOM 273 O ALA A 771 -2.464 2.090 4.828 1.00 0.00 O ATOM 274 CB ALA A 771 -5.624 2.440 3.952 1.00 0.00 C ATOM 0 H ALA A 771 -6.230 0.092 4.327 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.057 1.327 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.130 3.402 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.316 2.267 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.174 2.445 4.893 1.00 0.00 H new ATOM 280 N THR A 772 -3.918 1.223 6.307 1.00 0.00 N ATOM 281 CA THR A 772 -3.005 1.354 7.431 1.00 0.00 C ATOM 282 C THR A 772 -1.777 0.473 7.223 1.00 0.00 C ATOM 283 O THR A 772 -0.649 0.914 7.431 1.00 0.00 O ATOM 284 CB THR A 772 -3.689 0.984 8.763 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.920 1.707 8.897 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.785 1.296 9.948 1.00 0.00 C ATOM 0 H THR A 772 -4.832 0.837 6.545 1.00 0.00 H new ATOM 0 HA THR A 772 -2.698 2.399 7.484 1.00 0.00 H new ATOM 0 HB THR A 772 -3.891 -0.087 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.642 1.206 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.292 1.025 10.874 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.861 0.725 9.861 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.554 2.361 9.959 1.00 0.00 H new ATOM 294 N ALA A 773 -2.008 -0.759 6.775 1.00 0.00 N ATOM 295 CA ALA A 773 -0.931 -1.714 6.539 1.00 0.00 C ATOM 296 C ALA A 773 0.107 -1.153 5.573 1.00 0.00 C ATOM 297 O ALA A 773 1.306 -1.229 5.833 1.00 0.00 O ATOM 298 CB ALA A 773 -1.493 -3.021 6.006 1.00 0.00 C ATOM 0 H ALA A 773 -2.939 -1.120 6.567 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.436 -1.902 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.678 -3.724 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.188 -3.441 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.016 -2.836 5.068 1.00 0.00 H new ATOM 304 N VAL A 774 -0.359 -0.580 4.469 1.00 0.00 N ATOM 305 CA VAL A 774 0.534 0.004 3.472 1.00 0.00 C ATOM 306 C VAL A 774 1.326 1.164 4.065 1.00 0.00 C ATOM 307 O VAL A 774 2.551 1.211 3.952 1.00 0.00 O ATOM 308 CB VAL A 774 -0.242 0.498 2.234 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.697 1.134 1.220 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.006 -0.648 1.601 1.00 0.00 C ATOM 0 H VAL A 774 -1.350 -0.507 4.241 1.00 0.00 H new ATOM 0 HA VAL A 774 1.221 -0.783 3.161 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.953 1.258 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.124 1.474 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.204 1.984 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.437 0.400 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.549 -0.285 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.307 -1.427 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.712 -1.058 2.323 1.00 0.00 H new ATOM 320 N THR A 775 0.622 2.086 4.709 1.00 0.00 N ATOM 321 CA THR A 775 1.254 3.243 5.329 1.00 0.00 C ATOM 322 C THR A 775 2.278 2.816 6.383 1.00 0.00 C ATOM 323 O THR A 775 3.365 3.387 6.478 1.00 0.00 O ATOM 324 CB THR A 775 0.199 4.164 5.973 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.907 4.334 5.076 1.00 0.00 O ATOM 326 CG2 THR A 775 0.793 5.523 6.314 1.00 0.00 C ATOM 0 H THR A 775 -0.392 2.054 4.816 1.00 0.00 H new ATOM 0 HA THR A 775 1.772 3.792 4.543 1.00 0.00 H new ATOM 0 HB THR A 775 -0.143 3.697 6.897 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.509 3.564 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.026 6.152 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.617 5.394 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.161 5.998 5.404 1.00 0.00 H new ATOM 334 N GLN A 776 1.934 1.794 7.155 1.00 0.00 N ATOM 335 CA GLN A 776 2.817 1.289 8.195 1.00 0.00 C ATOM 336 C GLN A 776 4.007 0.551 7.590 1.00 0.00 C ATOM 337 O GLN A 776 5.133 0.673 8.075 1.00 0.00 O ATOM 338 CB GLN A 776 2.049 0.370 9.144 1.00 0.00 C ATOM 339 CG GLN A 776 1.053 1.106 10.026 1.00 0.00 C ATOM 340 CD GLN A 776 1.628 2.375 10.623 1.00 0.00 C ATOM 341 OE1 GLN A 776 1.378 3.480 10.138 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.407 2.222 11.678 1.00 0.00 N ATOM 0 H GLN A 776 1.046 1.298 7.079 1.00 0.00 H new ATOM 0 HA GLN A 776 3.197 2.140 8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.519 -0.382 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.760 -0.161 9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 776 0.168 1.353 9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.728 0.446 10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 776 2.588 1.289 12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 776 2.828 3.037 12.124 1.00 0.00 H new ATOM 351 N ALA A 777 3.756 -0.210 6.529 1.00 0.00 N ATOM 352 CA ALA A 777 4.820 -0.916 5.824 1.00 0.00 C ATOM 353 C ALA A 777 5.794 0.079 5.206 1.00 0.00 C ATOM 354 O ALA A 777 7.011 -0.092 5.285 1.00 0.00 O ATOM 355 CB ALA A 777 4.239 -1.828 4.752 1.00 0.00 C ATOM 0 H ALA A 777 2.825 -0.353 6.139 1.00 0.00 H new ATOM 0 HA ALA A 777 5.361 -1.533 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.048 -2.346 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.577 -2.559 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.675 -1.232 4.034 1.00 0.00 H new ATOM 361 N LEU A 778 5.243 1.124 4.601 1.00 0.00 N ATOM 362 CA LEU A 778 6.044 2.195 4.031 1.00 0.00 C ATOM 363 C LEU A 778 6.861 2.878 5.117 1.00 0.00 C ATOM 364 O LEU A 778 8.051 3.138 4.944 1.00 0.00 O ATOM 365 CB LEU A 778 5.143 3.216 3.338 1.00 0.00 C ATOM 366 CG LEU A 778 5.879 4.377 2.677 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.015 4.131 1.186 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.156 5.688 2.948 1.00 0.00 C ATOM 0 H LEU A 778 4.237 1.251 4.493 1.00 0.00 H new ATOM 0 HA LEU A 778 6.724 1.766 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.551 2.702 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.443 3.618 4.071 1.00 0.00 H new ATOM 0 HG LEU A 778 6.879 4.448 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.542 4.967 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.576 3.212 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.024 4.037 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.694 6.506 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.144 5.635 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.111 5.863 4.023 1.00 0.00 H new ATOM 380 N ASN A 779 6.208 3.158 6.240 1.00 0.00 N ATOM 381 CA ASN A 779 6.870 3.764 7.389 1.00 0.00 C ATOM 382 C ASN A 779 8.039 2.900 7.848 1.00 0.00 C ATOM 383 O ASN A 779 9.125 3.405 8.128 1.00 0.00 O ATOM 384 CB ASN A 779 5.875 3.948 8.539 1.00 0.00 C ATOM 385 CG ASN A 779 5.461 5.395 8.723 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.299 6.294 8.735 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.165 5.628 8.870 1.00 0.00 N ATOM 0 H ASN A 779 5.215 2.973 6.379 1.00 0.00 H new ATOM 0 HA ASN A 779 7.251 4.740 7.090 1.00 0.00 H new ATOM 0 HB2 ASN A 779 4.989 3.341 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.321 3.581 9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.830 6.583 8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.502 4.853 8.854 1.00 0.00 H new ATOM 394 N GLU A 780 7.803 1.593 7.902 1.00 0.00 N ATOM 395 CA GLU A 780 8.827 0.630 8.293 1.00 0.00 C ATOM 396 C GLU A 780 10.030 0.716 7.359 1.00 0.00 C ATOM 397 O GLU A 780 11.166 0.907 7.802 1.00 0.00 O ATOM 398 CB GLU A 780 8.243 -0.789 8.264 1.00 0.00 C ATOM 399 CG GLU A 780 9.269 -1.889 8.495 1.00 0.00 C ATOM 400 CD GLU A 780 9.590 -2.093 9.961 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.676 -2.444 10.733 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.760 -1.902 10.347 1.00 0.00 O ATOM 0 H GLU A 780 6.901 1.173 7.677 1.00 0.00 H new ATOM 0 HA GLU A 780 9.158 0.864 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.466 -0.866 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.762 -0.953 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.894 -2.823 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 780 10.185 -1.644 7.958 1.00 0.00 H new ATOM 409 N LEU A 781 9.765 0.592 6.065 1.00 0.00 N ATOM 410 CA LEU A 781 10.813 0.621 5.056 1.00 0.00 C ATOM 411 C LEU A 781 11.562 1.948 5.080 1.00 0.00 C ATOM 412 O LEU A 781 12.786 1.971 5.012 1.00 0.00 O ATOM 413 CB LEU A 781 10.215 0.388 3.671 1.00 0.00 C ATOM 414 CG LEU A 781 11.236 0.187 2.555 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.145 -1.224 1.999 1.00 0.00 C ATOM 416 CD2 LEU A 781 11.026 1.217 1.456 1.00 0.00 C ATOM 0 H LEU A 781 8.825 0.469 5.688 1.00 0.00 H new ATOM 0 HA LEU A 781 11.521 -0.176 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.568 -0.488 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.583 1.239 3.416 1.00 0.00 H new ATOM 0 HG LEU A 781 12.236 0.325 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.880 -1.350 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.344 -1.942 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.145 -1.394 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.761 1.062 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 781 10.023 1.110 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 781 11.143 2.219 1.869 1.00 0.00 H new ATOM 428 N LEU A 782 10.822 3.046 5.192 1.00 0.00 N ATOM 429 CA LEU A 782 11.418 4.378 5.198 1.00 0.00 C ATOM 430 C LEU A 782 12.432 4.522 6.329 1.00 0.00 C ATOM 431 O LEU A 782 13.544 5.007 6.118 1.00 0.00 O ATOM 432 CB LEU A 782 10.334 5.448 5.333 1.00 0.00 C ATOM 433 CG LEU A 782 9.993 6.194 4.042 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.934 7.253 4.303 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.243 6.823 3.441 1.00 0.00 C ATOM 0 H LEU A 782 9.806 3.040 5.280 1.00 0.00 H new ATOM 0 HA LEU A 782 11.938 4.514 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.427 4.978 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.654 6.174 6.080 1.00 0.00 H new ATOM 0 HG LEU A 782 9.593 5.477 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.704 7.774 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.031 6.778 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.307 7.968 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.980 7.349 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.674 7.527 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.971 6.043 3.216 1.00 0.00 H new ATOM 447 N GLN A 783 12.047 4.088 7.525 1.00 0.00 N ATOM 448 CA GLN A 783 12.935 4.150 8.682 1.00 0.00 C ATOM 449 C GLN A 783 14.136 3.231 8.486 1.00 0.00 C ATOM 450 O GLN A 783 15.240 3.514 8.952 1.00 0.00 O ATOM 451 CB GLN A 783 12.188 3.753 9.958 1.00 0.00 C ATOM 452 CG GLN A 783 10.968 4.612 10.250 1.00 0.00 C ATOM 453 CD GLN A 783 10.176 4.111 11.443 1.00 0.00 C ATOM 454 OE1 GLN A 783 10.740 3.806 12.492 1.00 0.00 O ATOM 455 NE2 GLN A 783 8.865 4.022 11.290 1.00 0.00 N ATOM 0 H GLN A 783 11.128 3.690 7.719 1.00 0.00 H new ATOM 0 HA GLN A 783 13.286 5.177 8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 783 11.876 2.712 9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 783 12.874 3.814 10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 783 11.286 5.638 10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 783 10.323 4.631 9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 783 8.436 4.285 10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 783 8.283 3.690 12.059 1.00 0.00 H new ATOM 464 N HIS A 784 13.912 2.132 7.782 1.00 0.00 N ATOM 465 CA HIS A 784 14.952 1.141 7.553 1.00 0.00 C ATOM 466 C HIS A 784 15.953 1.623 6.503 1.00 0.00 C ATOM 467 O HIS A 784 17.162 1.527 6.702 1.00 0.00 O ATOM 468 CB HIS A 784 14.320 -0.188 7.123 1.00 0.00 C ATOM 469 CG HIS A 784 15.311 -1.235 6.711 1.00 0.00 C ATOM 470 ND1 HIS A 784 16.359 -1.640 7.507 1.00 0.00 N ATOM 471 CD2 HIS A 784 15.406 -1.956 5.571 1.00 0.00 C ATOM 472 CE1 HIS A 784 17.058 -2.563 6.876 1.00 0.00 C ATOM 473 NE2 HIS A 784 16.503 -2.775 5.698 1.00 0.00 N ATOM 0 H HIS A 784 13.013 1.903 7.357 1.00 0.00 H new ATOM 0 HA HIS A 784 15.496 0.992 8.486 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.720 -0.575 7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 784 13.639 -0.002 6.293 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.563 -1.282 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 784 14.744 -1.899 4.720 1.00 0.00 H new ATOM 0 HE1 HIS A 784 17.936 -3.061 7.259 1.00 0.00 H new ATOM 482 N VAL A 785 15.444 2.146 5.394 1.00 0.00 N ATOM 483 CA VAL A 785 16.291 2.579 4.286 1.00 0.00 C ATOM 484 C VAL A 785 17.076 3.839 4.651 1.00 0.00 C ATOM 485 O VAL A 785 18.200 4.041 4.188 1.00 0.00 O ATOM 486 CB VAL A 785 15.458 2.835 3.006 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.330 3.352 1.869 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.731 1.568 2.578 1.00 0.00 C ATOM 0 H VAL A 785 14.445 2.281 5.237 1.00 0.00 H new ATOM 0 HA VAL A 785 16.995 1.771 4.087 1.00 0.00 H new ATOM 0 HB VAL A 785 14.720 3.602 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 785 15.714 3.521 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 785 16.800 4.289 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.101 2.617 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.151 1.768 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.458 0.782 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.062 1.245 3.376 1.00 0.00 H new ATOM 498 N LYS A 786 16.490 4.677 5.495 1.00 0.00 N ATOM 499 CA LYS A 786 17.163 5.890 5.943 1.00 0.00 C ATOM 500 C LYS A 786 18.415 5.546 6.745 1.00 0.00 C ATOM 501 O LYS A 786 19.395 6.294 6.737 1.00 0.00 O ATOM 502 CB LYS A 786 16.220 6.749 6.785 1.00 0.00 C ATOM 503 CG LYS A 786 15.724 7.990 6.059 1.00 0.00 C ATOM 504 CD LYS A 786 14.800 8.818 6.936 1.00 0.00 C ATOM 505 CE LYS A 786 13.357 8.357 6.814 1.00 0.00 C ATOM 506 NZ LYS A 786 12.707 8.223 8.143 1.00 0.00 N ATOM 0 H LYS A 786 15.556 4.541 5.882 1.00 0.00 H new ATOM 0 HA LYS A 786 17.459 6.458 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 786 15.363 6.146 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 786 16.733 7.052 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 786 16.575 8.597 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 786 15.198 7.695 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 786 15.120 8.744 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 786 14.873 9.868 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 786 12.798 9.068 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 786 13.324 7.399 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 11.724 7.907 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 13.225 7.525 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 12.716 9.143 8.628 1.00 0.00 H new ATOM 520 N ALA A 787 18.378 4.412 7.432 1.00 0.00 N ATOM 521 CA ALA A 787 19.514 3.960 8.220 1.00 0.00 C ATOM 522 C ALA A 787 20.379 2.982 7.429 1.00 0.00 C ATOM 523 O ALA A 787 21.568 2.828 7.703 1.00 0.00 O ATOM 524 CB ALA A 787 19.036 3.318 9.512 1.00 0.00 C ATOM 0 H ALA A 787 17.571 3.788 7.459 1.00 0.00 H new ATOM 0 HA ALA A 787 20.125 4.829 8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 787 19.896 2.984 10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 787 18.468 4.046 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 787 18.401 2.463 9.280 1.00 0.00 H new ATOM 530 N HIS A 788 19.773 2.312 6.455 1.00 0.00 N ATOM 531 CA HIS A 788 20.484 1.338 5.630 1.00 0.00 C ATOM 532 C HIS A 788 20.060 1.452 4.179 1.00 0.00 C ATOM 533 O HIS A 788 18.924 1.132 3.834 1.00 0.00 O ATOM 534 CB HIS A 788 20.210 -0.095 6.090 1.00 0.00 C ATOM 535 CG HIS A 788 20.507 -0.357 7.527 1.00 0.00 C ATOM 536 ND1 HIS A 788 21.782 -0.440 8.034 1.00 0.00 N ATOM 537 CD2 HIS A 788 19.673 -0.568 8.562 1.00 0.00 C ATOM 538 CE1 HIS A 788 21.719 -0.695 9.328 1.00 0.00 C ATOM 539 NE2 HIS A 788 20.446 -0.778 9.676 1.00 0.00 N ATOM 0 H HIS A 788 18.788 2.425 6.216 1.00 0.00 H new ATOM 0 HA HIS A 788 21.547 1.557 5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 788 19.162 -0.328 5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 788 20.803 -0.777 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 788 18.594 -0.571 8.523 1.00 0.00 H new ATOM 0 HE1 HIS A 788 22.564 -0.815 9.990 1.00 0.00 H new ATOM 0 HE2 HIS A 788 20.097 -0.967 10.616 1.00 0.00 H new ATOM 548 N ALA A 789 20.972 1.884 3.334 1.00 0.00 N ATOM 549 CA ALA A 789 20.704 1.965 1.911 1.00 0.00 C ATOM 550 C ALA A 789 21.904 1.480 1.128 1.00 0.00 C ATOM 551 O ALA A 789 22.908 1.063 1.710 1.00 0.00 O ATOM 552 CB ALA A 789 20.361 3.385 1.499 1.00 0.00 C ATOM 0 H ALA A 789 21.907 2.185 3.607 1.00 0.00 H new ATOM 0 HA ALA A 789 19.847 1.328 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 789 20.165 3.416 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 789 19.475 3.717 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 789 21.197 4.044 1.734 1.00 0.00 H new ATOM 558 N THR A 790 21.800 1.540 -0.186 1.00 0.00 N ATOM 559 CA THR A 790 22.892 1.156 -1.047 1.00 0.00 C ATOM 560 C THR A 790 23.970 2.231 -1.049 1.00 0.00 C ATOM 561 O THR A 790 23.739 3.357 -1.487 1.00 0.00 O ATOM 562 CB THR A 790 22.387 0.909 -2.473 1.00 0.00 C ATOM 563 OG1 THR A 790 21.120 1.566 -2.647 1.00 0.00 O ATOM 564 CG2 THR A 790 22.241 -0.581 -2.731 1.00 0.00 C ATOM 0 H THR A 790 20.964 1.853 -0.679 1.00 0.00 H new ATOM 0 HA THR A 790 23.324 0.231 -0.665 1.00 0.00 H new ATOM 0 HB THR A 790 23.108 1.312 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 790 20.710 1.270 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 790 21.882 -0.741 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 790 23.208 -1.068 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 790 21.528 -1.005 -2.023 1.00 0.00 H new ATOM 572 N GLY A 791 25.134 1.886 -0.532 1.00 0.00 N ATOM 573 CA GLY A 791 26.193 2.857 -0.385 1.00 0.00 C ATOM 574 C GLY A 791 26.224 3.398 1.023 1.00 0.00 C ATOM 575 O GLY A 791 26.192 4.613 1.230 1.00 0.00 O ATOM 0 H GLY A 791 25.366 0.946 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 791 27.152 2.397 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 791 26.046 3.674 -1.091 1.00 0.00 H new ATOM 579 N ALA A 792 26.244 2.472 1.985 1.00 0.00 N ATOM 580 CA ALA A 792 26.233 2.788 3.413 1.00 0.00 C ATOM 581 C ALA A 792 24.847 3.246 3.857 1.00 0.00 C ATOM 582 O ALA A 792 24.154 2.537 4.588 1.00 0.00 O ATOM 583 CB ALA A 792 27.294 3.824 3.763 1.00 0.00 C ATOM 0 H ALA A 792 26.269 1.471 1.791 1.00 0.00 H new ATOM 0 HA ALA A 792 26.477 1.876 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 792 27.258 4.035 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 792 28.279 3.438 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 792 27.105 4.741 3.205 1.00 0.00 H new ATOM 589 N GLY A 793 24.438 4.418 3.400 1.00 0.00 N ATOM 590 CA GLY A 793 23.127 4.924 3.742 1.00 0.00 C ATOM 591 C GLY A 793 22.920 6.358 3.296 1.00 0.00 C ATOM 592 O GLY A 793 22.817 7.254 4.130 1.00 0.00 O ATOM 0 H GLY A 793 24.991 5.028 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 793 22.367 4.292 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 793 22.987 4.859 4.821 1.00 0.00 H new ATOM 596 N PRO A 794 22.852 6.613 1.976 1.00 0.00 N ATOM 597 CA PRO A 794 22.615 7.959 1.442 1.00 0.00 C ATOM 598 C PRO A 794 21.178 8.421 1.666 1.00 0.00 C ATOM 599 O PRO A 794 20.840 9.570 1.380 1.00 0.00 O ATOM 600 CB PRO A 794 22.899 7.819 -0.063 1.00 0.00 C ATOM 601 CG PRO A 794 23.530 6.477 -0.233 1.00 0.00 C ATOM 602 CD PRO A 794 23.019 5.633 0.897 1.00 0.00 C ATOM 0 HA PRO A 794 23.242 8.702 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 794 21.980 7.895 -0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 794 23.563 8.610 -0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 794 23.265 6.041 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 794 24.617 6.551 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 794 22.078 5.143 0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 794 23.725 4.848 1.168 1.00 0.00 H new ATOM 610 N ALA A 795 20.349 7.504 2.176 1.00 0.00 N ATOM 611 CA ALA A 795 18.934 7.756 2.473 1.00 0.00 C ATOM 612 C ALA A 795 18.105 7.896 1.198 1.00 0.00 C ATOM 613 O ALA A 795 17.189 7.109 0.959 1.00 0.00 O ATOM 614 CB ALA A 795 18.765 8.980 3.369 1.00 0.00 C ATOM 0 H ALA A 795 20.645 6.553 2.397 1.00 0.00 H new ATOM 0 HA ALA A 795 18.560 6.887 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 795 17.706 9.140 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 795 19.293 8.819 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 795 19.175 9.857 2.868 1.00 0.00 H new ATOM 620 N GLY A 796 18.432 8.892 0.384 1.00 0.00 N ATOM 621 CA GLY A 796 17.714 9.119 -0.852 1.00 0.00 C ATOM 622 C GLY A 796 18.023 8.069 -1.900 1.00 0.00 C ATOM 623 O GLY A 796 19.169 7.918 -2.322 1.00 0.00 O ATOM 0 H GLY A 796 19.189 9.552 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 796 16.643 9.124 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 796 17.970 10.104 -1.242 1.00 0.00 H new ATOM 627 N ARG A 797 16.999 7.335 -2.303 1.00 0.00 N ATOM 628 CA ARG A 797 17.130 6.291 -3.311 1.00 0.00 C ATOM 629 C ARG A 797 15.773 6.007 -3.930 1.00 0.00 C ATOM 630 O ARG A 797 15.634 5.940 -5.149 1.00 0.00 O ATOM 631 CB ARG A 797 17.713 5.020 -2.691 1.00 0.00 C ATOM 632 CG ARG A 797 18.914 4.479 -3.451 1.00 0.00 C ATOM 633 CD ARG A 797 20.215 4.765 -2.718 1.00 0.00 C ATOM 634 NE ARG A 797 21.173 5.493 -3.552 1.00 0.00 N ATOM 635 CZ ARG A 797 22.179 4.915 -4.211 1.00 0.00 C ATOM 636 NH1 ARG A 797 22.319 3.596 -4.193 1.00 0.00 N ATOM 637 NH2 ARG A 797 23.037 5.657 -4.900 1.00 0.00 N ATOM 0 H ARG A 797 16.052 7.445 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 797 17.811 6.632 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 797 18.006 5.227 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 797 16.939 4.253 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 797 18.803 3.404 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 797 18.949 4.927 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 797 20.004 5.345 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 797 20.661 3.825 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 797 21.065 6.504 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 797 21.656 3.020 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 797 23.089 3.158 -4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 797 22.928 6.671 -4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 797 23.805 5.213 -5.403 1.00 0.00 H new ATOM 651 N TYR A 798 14.777 5.837 -3.073 1.00 0.00 N ATOM 652 CA TYR A 798 13.405 5.588 -3.504 1.00 0.00 C ATOM 653 C TYR A 798 12.488 6.522 -2.731 1.00 0.00 C ATOM 654 O TYR A 798 11.351 6.184 -2.399 1.00 0.00 O ATOM 655 CB TYR A 798 13.014 4.119 -3.262 1.00 0.00 C ATOM 656 CG TYR A 798 14.204 3.199 -3.081 1.00 0.00 C ATOM 657 CD1 TYR A 798 15.124 3.022 -4.106 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.429 2.542 -1.879 1.00 0.00 C ATOM 659 CE1 TYR A 798 16.231 2.220 -3.944 1.00 0.00 C ATOM 660 CE2 TYR A 798 15.534 1.728 -1.710 1.00 0.00 C ATOM 661 CZ TYR A 798 16.434 1.573 -2.745 1.00 0.00 C ATOM 662 OH TYR A 798 17.540 0.774 -2.577 1.00 0.00 O ATOM 0 H TYR A 798 14.895 5.867 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 798 13.313 5.776 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 798 12.382 4.061 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.417 3.767 -4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 798 14.968 3.524 -5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 798 13.731 2.668 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 798 16.937 2.099 -4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 798 15.692 1.216 -0.772 1.00 0.00 H new ATOM 0 HH TYR A 798 18.173 0.934 -3.308 1.00 0.00 H new ATOM 672 N ASP A 799 13.012 7.713 -2.469 1.00 0.00 N ATOM 673 CA ASP A 799 12.374 8.685 -1.590 1.00 0.00 C ATOM 674 C ASP A 799 11.175 9.333 -2.268 1.00 0.00 C ATOM 675 O ASP A 799 10.285 9.875 -1.608 1.00 0.00 O ATOM 676 CB ASP A 799 13.389 9.753 -1.180 1.00 0.00 C ATOM 677 CG ASP A 799 12.985 10.496 0.075 1.00 0.00 C ATOM 678 OD1 ASP A 799 12.495 9.854 1.027 1.00 0.00 O ATOM 679 OD2 ASP A 799 13.165 11.733 0.121 1.00 0.00 O ATOM 0 H ASP A 799 13.897 8.034 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 799 12.017 8.164 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 799 14.360 9.283 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 799 13.509 10.466 -1.996 1.00 0.00 H new ATOM 684 N GLN A 800 11.164 9.287 -3.590 1.00 0.00 N ATOM 685 CA GLN A 800 10.047 9.816 -4.354 1.00 0.00 C ATOM 686 C GLN A 800 8.875 8.845 -4.304 1.00 0.00 C ATOM 687 O GLN A 800 7.721 9.249 -4.137 1.00 0.00 O ATOM 688 CB GLN A 800 10.460 10.072 -5.803 1.00 0.00 C ATOM 689 CG GLN A 800 11.316 11.314 -5.981 1.00 0.00 C ATOM 690 CD GLN A 800 12.417 11.115 -7.001 1.00 0.00 C ATOM 691 OE1 GLN A 800 13.574 10.888 -6.647 1.00 0.00 O ATOM 692 NE2 GLN A 800 12.065 11.197 -8.273 1.00 0.00 N ATOM 0 H GLN A 800 11.914 8.890 -4.155 1.00 0.00 H new ATOM 0 HA GLN A 800 9.741 10.764 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 800 11.009 9.206 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.564 10.168 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 800 10.684 12.146 -6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 800 11.757 11.588 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 800 11.094 11.387 -8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 800 12.764 11.070 -9.005 1.00 0.00 H new ATOM 701 N ALA A 801 9.180 7.560 -4.430 1.00 0.00 N ATOM 702 CA ALA A 801 8.162 6.520 -4.389 1.00 0.00 C ATOM 703 C ALA A 801 7.479 6.473 -3.026 1.00 0.00 C ATOM 704 O ALA A 801 6.250 6.434 -2.942 1.00 0.00 O ATOM 705 CB ALA A 801 8.772 5.167 -4.722 1.00 0.00 C ATOM 0 H ALA A 801 10.130 7.212 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 801 7.406 6.759 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 801 7.998 4.400 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.206 5.199 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.550 4.930 -3.996 1.00 0.00 H new ATOM 711 N THR A 802 8.278 6.503 -1.964 1.00 0.00 N ATOM 712 CA THR A 802 7.754 6.428 -0.607 1.00 0.00 C ATOM 713 C THR A 802 6.787 7.574 -0.327 1.00 0.00 C ATOM 714 O THR A 802 5.691 7.364 0.198 1.00 0.00 O ATOM 715 CB THR A 802 8.894 6.460 0.424 1.00 0.00 C ATOM 716 OG1 THR A 802 9.917 7.359 -0.016 1.00 0.00 O ATOM 717 CG2 THR A 802 9.487 5.073 0.621 1.00 0.00 C ATOM 0 H THR A 802 9.294 6.579 -2.019 1.00 0.00 H new ATOM 0 HA THR A 802 7.218 5.483 -0.518 1.00 0.00 H new ATOM 0 HB THR A 802 8.487 6.801 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.032 8.073 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.291 5.122 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.713 4.393 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.883 4.708 -0.327 1.00 0.00 H new ATOM 725 N ASP A 803 7.195 8.779 -0.705 1.00 0.00 N ATOM 726 CA ASP A 803 6.369 9.968 -0.521 1.00 0.00 C ATOM 727 C ASP A 803 5.044 9.822 -1.261 1.00 0.00 C ATOM 728 O ASP A 803 3.978 10.118 -0.720 1.00 0.00 O ATOM 729 CB ASP A 803 7.108 11.209 -1.027 1.00 0.00 C ATOM 730 CG ASP A 803 7.052 12.366 -0.050 1.00 0.00 C ATOM 731 OD1 ASP A 803 6.171 12.367 0.833 1.00 0.00 O ATOM 732 OD2 ASP A 803 7.893 13.284 -0.164 1.00 0.00 O ATOM 0 H ASP A 803 8.098 8.960 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 803 6.166 10.081 0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.150 10.952 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.676 11.521 -1.978 1.00 0.00 H new ATOM 737 N THR A 804 5.122 9.340 -2.495 1.00 0.00 N ATOM 738 CA THR A 804 3.945 9.172 -3.334 1.00 0.00 C ATOM 739 C THR A 804 2.974 8.147 -2.744 1.00 0.00 C ATOM 740 O THR A 804 1.775 8.410 -2.654 1.00 0.00 O ATOM 741 CB THR A 804 4.345 8.755 -4.763 1.00 0.00 C ATOM 742 OG1 THR A 804 5.362 9.640 -5.256 1.00 0.00 O ATOM 743 CG2 THR A 804 3.144 8.786 -5.700 1.00 0.00 C ATOM 0 H THR A 804 5.996 9.057 -2.938 1.00 0.00 H new ATOM 0 HA THR A 804 3.438 10.136 -3.375 1.00 0.00 H new ATOM 0 HB THR A 804 4.727 7.735 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.223 9.406 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.456 8.487 -6.701 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.381 8.097 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.735 9.796 -5.734 1.00 0.00 H new ATOM 751 N ILE A 805 3.497 6.996 -2.326 1.00 0.00 N ATOM 752 CA ILE A 805 2.667 5.942 -1.746 1.00 0.00 C ATOM 753 C ILE A 805 1.899 6.462 -0.538 1.00 0.00 C ATOM 754 O ILE A 805 0.675 6.354 -0.478 1.00 0.00 O ATOM 755 CB ILE A 805 3.512 4.718 -1.329 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.858 3.880 -2.552 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.787 3.862 -0.295 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.288 3.412 -2.556 1.00 0.00 C ATOM 0 H ILE A 805 4.490 6.770 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 805 1.961 5.630 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 805 4.430 5.087 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.197 3.014 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.670 4.465 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.411 3.010 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.584 4.459 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.846 3.504 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.475 2.820 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.953 4.275 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.473 2.801 -1.672 1.00 0.00 H new ATOM 770 N LEU A 806 2.626 7.035 0.414 1.00 0.00 N ATOM 771 CA LEU A 806 2.010 7.585 1.617 1.00 0.00 C ATOM 772 C LEU A 806 0.930 8.603 1.254 1.00 0.00 C ATOM 773 O LEU A 806 -0.188 8.534 1.764 1.00 0.00 O ATOM 774 CB LEU A 806 3.072 8.222 2.520 1.00 0.00 C ATOM 775 CG LEU A 806 2.810 8.119 4.029 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.995 8.661 4.802 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.545 8.865 4.426 1.00 0.00 C ATOM 0 H LEU A 806 3.641 7.131 0.377 1.00 0.00 H new ATOM 0 HA LEU A 806 1.538 6.769 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.033 7.756 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.162 9.276 2.256 1.00 0.00 H new ATOM 0 HG LEU A 806 2.670 7.066 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.798 8.583 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.886 8.084 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 806 4.154 9.706 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.390 8.771 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.646 9.918 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 806 0.691 8.441 3.898 1.00 0.00 H new ATOM 789 N THR A 807 1.259 9.520 0.350 1.00 0.00 N ATOM 790 CA THR A 807 0.309 10.538 -0.088 1.00 0.00 C ATOM 791 C THR A 807 -0.953 9.899 -0.675 1.00 0.00 C ATOM 792 O THR A 807 -2.072 10.303 -0.355 1.00 0.00 O ATOM 793 CB THR A 807 0.942 11.482 -1.134 1.00 0.00 C ATOM 794 OG1 THR A 807 2.169 12.027 -0.627 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.006 12.619 -1.496 1.00 0.00 C ATOM 0 H THR A 807 2.176 9.580 -0.094 1.00 0.00 H new ATOM 0 HA THR A 807 0.035 11.121 0.792 1.00 0.00 H new ATOM 0 HB THR A 807 1.142 10.899 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.926 11.525 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.467 13.266 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 807 -0.926 12.207 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.239 13.197 -0.602 1.00 0.00 H new ATOM 803 N VAL A 808 -0.763 8.886 -1.511 1.00 0.00 N ATOM 804 CA VAL A 808 -1.875 8.200 -2.155 1.00 0.00 C ATOM 805 C VAL A 808 -2.745 7.473 -1.126 1.00 0.00 C ATOM 806 O VAL A 808 -3.969 7.611 -1.131 1.00 0.00 O ATOM 807 CB VAL A 808 -1.365 7.197 -3.215 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.404 6.129 -3.512 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.973 7.927 -4.490 1.00 0.00 C ATOM 0 H VAL A 808 0.156 8.520 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.483 8.956 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.484 6.700 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.014 5.440 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.633 5.580 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.312 6.600 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.616 7.207 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.840 8.454 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.182 8.644 -4.270 1.00 0.00 H new ATOM 819 N THR A 809 -2.112 6.713 -0.240 1.00 0.00 N ATOM 820 CA THR A 809 -2.843 5.967 0.777 1.00 0.00 C ATOM 821 C THR A 809 -3.583 6.914 1.718 1.00 0.00 C ATOM 822 O THR A 809 -4.730 6.660 2.093 1.00 0.00 O ATOM 823 CB THR A 809 -1.911 5.050 1.592 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.839 4.577 0.766 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.678 3.860 2.144 1.00 0.00 C ATOM 0 H THR A 809 -1.099 6.597 -0.205 1.00 0.00 H new ATOM 0 HA THR A 809 -3.567 5.341 0.255 1.00 0.00 H new ATOM 0 HB THR A 809 -1.506 5.629 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.156 5.275 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 809 -2.002 3.225 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.480 4.213 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.103 3.287 1.320 1.00 0.00 H new ATOM 833 N GLU A 810 -2.932 8.018 2.073 1.00 0.00 N ATOM 834 CA GLU A 810 -3.548 9.029 2.920 1.00 0.00 C ATOM 835 C GLU A 810 -4.756 9.646 2.217 1.00 0.00 C ATOM 836 O GLU A 810 -5.748 9.989 2.857 1.00 0.00 O ATOM 837 CB GLU A 810 -2.531 10.113 3.288 1.00 0.00 C ATOM 838 CG GLU A 810 -2.744 10.699 4.674 1.00 0.00 C ATOM 839 CD GLU A 810 -1.558 11.508 5.154 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.120 12.425 4.424 1.00 0.00 O ATOM 841 OE2 GLU A 810 -1.055 11.235 6.262 1.00 0.00 O ATOM 0 H GLU A 810 -1.977 8.233 1.786 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.888 8.551 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.527 9.693 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.584 10.915 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -3.631 11.333 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -2.937 9.891 5.380 1.00 0.00 H new ATOM 848 N ASN A 811 -4.672 9.762 0.894 1.00 0.00 N ATOM 849 CA ASN A 811 -5.779 10.280 0.090 1.00 0.00 C ATOM 850 C ASN A 811 -7.002 9.386 0.229 1.00 0.00 C ATOM 851 O ASN A 811 -8.131 9.870 0.314 1.00 0.00 O ATOM 852 CB ASN A 811 -5.388 10.371 -1.388 1.00 0.00 C ATOM 853 CG ASN A 811 -4.760 11.699 -1.754 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.895 12.686 -1.031 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.077 11.735 -2.889 1.00 0.00 N ATOM 0 H ASN A 811 -3.847 9.504 0.353 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.015 11.279 0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.689 9.568 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.274 10.213 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.639 12.604 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.990 10.893 -3.459 1.00 0.00 H new ATOM 862 N ILE A 812 -6.767 8.077 0.254 1.00 0.00 N ATOM 863 CA ILE A 812 -7.843 7.106 0.407 1.00 0.00 C ATOM 864 C ILE A 812 -8.492 7.243 1.783 1.00 0.00 C ATOM 865 O ILE A 812 -9.697 7.051 1.932 1.00 0.00 O ATOM 866 CB ILE A 812 -7.333 5.658 0.201 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.942 5.441 -1.262 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.387 4.638 0.621 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.590 4.786 -1.439 1.00 0.00 C ATOM 0 H ILE A 812 -5.838 7.665 0.170 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.588 7.313 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.455 5.515 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.701 4.824 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.940 6.403 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -8.001 3.631 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.627 4.776 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.287 4.778 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.381 4.664 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.821 5.412 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.593 3.809 -0.956 1.00 0.00 H new ATOM 881 N PHE A 813 -7.689 7.594 2.781 1.00 0.00 N ATOM 882 CA PHE A 813 -8.205 7.830 4.124 1.00 0.00 C ATOM 883 C PHE A 813 -9.139 9.035 4.126 1.00 0.00 C ATOM 884 O PHE A 813 -10.243 8.980 4.671 1.00 0.00 O ATOM 885 CB PHE A 813 -7.057 8.069 5.109 1.00 0.00 C ATOM 886 CG PHE A 813 -6.441 6.809 5.642 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.173 5.950 6.445 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.128 6.487 5.344 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.607 4.791 6.936 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.557 5.329 5.831 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.297 4.481 6.629 1.00 0.00 C ATOM 0 H PHE A 813 -6.681 7.721 2.686 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.759 6.945 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.285 8.659 4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.426 8.663 5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.197 6.190 6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.544 7.150 4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.188 4.127 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.533 5.087 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.852 3.575 7.013 1.00 0.00 H new ATOM 901 N SER A 814 -8.690 10.119 3.501 1.00 0.00 N ATOM 902 CA SER A 814 -9.470 11.346 3.421 1.00 0.00 C ATOM 903 C SER A 814 -10.752 11.141 2.615 1.00 0.00 C ATOM 904 O SER A 814 -11.804 11.686 2.954 1.00 0.00 O ATOM 905 CB SER A 814 -8.625 12.455 2.788 1.00 0.00 C ATOM 906 OG SER A 814 -7.254 12.299 3.117 1.00 0.00 O ATOM 0 H SER A 814 -7.782 10.171 3.039 1.00 0.00 H new ATOM 0 HA SER A 814 -9.754 11.634 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.747 12.437 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.977 13.427 3.133 1.00 0.00 H new ATOM 0 HG SER A 814 -6.734 13.017 2.700 1.00 0.00 H new ATOM 912 N SER A 815 -10.663 10.344 1.560 1.00 0.00 N ATOM 913 CA SER A 815 -11.793 10.132 0.671 1.00 0.00 C ATOM 914 C SER A 815 -12.365 8.723 0.808 1.00 0.00 C ATOM 915 O SER A 815 -12.823 8.138 -0.172 1.00 0.00 O ATOM 916 CB SER A 815 -11.374 10.393 -0.778 1.00 0.00 C ATOM 917 OG SER A 815 -11.145 11.777 -0.999 1.00 0.00 O ATOM 0 H SER A 815 -9.819 9.834 1.300 1.00 0.00 H new ATOM 0 HA SER A 815 -12.577 10.834 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.469 9.830 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.150 10.036 -1.455 1.00 0.00 H new ATOM 0 HG SER A 815 -10.877 11.920 -1.931 1.00 0.00 H new ATOM 923 N MET A 816 -12.339 8.182 2.022 1.00 0.00 N ATOM 924 CA MET A 816 -12.941 6.876 2.285 1.00 0.00 C ATOM 925 C MET A 816 -14.455 6.972 2.150 1.00 0.00 C ATOM 926 O MET A 816 -15.155 7.401 3.070 1.00 0.00 O ATOM 927 CB MET A 816 -12.562 6.374 3.680 1.00 0.00 C ATOM 928 CG MET A 816 -12.229 4.892 3.715 1.00 0.00 C ATOM 929 SD MET A 816 -11.457 4.386 5.263 1.00 0.00 S ATOM 930 CE MET A 816 -9.767 4.139 4.726 1.00 0.00 C ATOM 0 H MET A 816 -11.911 8.623 2.836 1.00 0.00 H new ATOM 0 HA MET A 816 -12.561 6.162 1.554 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.704 6.941 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.386 6.570 4.366 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.142 4.316 3.564 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.561 4.655 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.102 4.174 5.589 1.00 0.00 H new ATOM 0 HE2 MET A 816 -9.678 3.168 4.239 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.490 4.924 4.023 1.00 0.00 H new ATOM 940 N GLY A 817 -14.944 6.582 0.988 1.00 0.00 N ATOM 941 CA GLY A 817 -16.344 6.741 0.662 1.00 0.00 C ATOM 942 C GLY A 817 -16.502 7.273 -0.743 1.00 0.00 C ATOM 943 O GLY A 817 -17.541 7.095 -1.379 1.00 0.00 O ATOM 0 H GLY A 817 -14.386 6.150 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.856 5.783 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.813 7.423 1.371 1.00 0.00 H new ATOM 947 N ASP A 818 -15.450 7.925 -1.224 1.00 0.00 N ATOM 948 CA ASP A 818 -15.401 8.419 -2.591 1.00 0.00 C ATOM 949 C ASP A 818 -14.833 7.334 -3.491 1.00 0.00 C ATOM 950 O ASP A 818 -13.636 7.312 -3.777 1.00 0.00 O ATOM 951 CB ASP A 818 -14.542 9.683 -2.677 1.00 0.00 C ATOM 952 CG ASP A 818 -14.896 10.557 -3.865 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.593 10.080 -4.785 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.475 11.733 -3.886 1.00 0.00 O ATOM 0 H ASP A 818 -14.611 8.124 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.409 8.674 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -14.660 10.260 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.492 9.399 -2.741 1.00 0.00 H new ATOM 959 N ALA A 819 -15.715 6.434 -3.908 1.00 0.00 N ATOM 960 CA ALA A 819 -15.352 5.234 -4.660 1.00 0.00 C ATOM 961 C ALA A 819 -14.362 5.506 -5.788 1.00 0.00 C ATOM 962 O ALA A 819 -13.279 4.924 -5.817 1.00 0.00 O ATOM 963 CB ALA A 819 -16.605 4.603 -5.232 1.00 0.00 C ATOM 0 H ALA A 819 -16.716 6.516 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.858 4.559 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.338 3.708 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.280 4.334 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.100 5.313 -5.895 1.00 0.00 H new ATOM 969 N GLY A 820 -14.739 6.390 -6.704 1.00 0.00 N ATOM 970 CA GLY A 820 -13.929 6.643 -7.879 1.00 0.00 C ATOM 971 C GLY A 820 -12.513 7.048 -7.537 1.00 0.00 C ATOM 972 O GLY A 820 -11.561 6.497 -8.083 1.00 0.00 O ATOM 0 H GLY A 820 -15.597 6.939 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.906 5.747 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.394 7.430 -8.473 1.00 0.00 H new ATOM 976 N GLU A 821 -12.371 7.998 -6.619 1.00 0.00 N ATOM 977 CA GLU A 821 -11.054 8.454 -6.198 1.00 0.00 C ATOM 978 C GLU A 821 -10.333 7.358 -5.424 1.00 0.00 C ATOM 979 O GLU A 821 -9.141 7.143 -5.613 1.00 0.00 O ATOM 980 CB GLU A 821 -11.160 9.721 -5.344 1.00 0.00 C ATOM 981 CG GLU A 821 -9.813 10.366 -5.043 1.00 0.00 C ATOM 982 CD GLU A 821 -9.187 11.024 -6.260 1.00 0.00 C ATOM 983 OE1 GLU A 821 -8.698 10.300 -7.154 1.00 0.00 O ATOM 984 OE2 GLU A 821 -9.174 12.269 -6.330 1.00 0.00 O ATOM 0 H GLU A 821 -13.150 8.465 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.478 8.691 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -11.793 10.444 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.654 9.476 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.940 11.112 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.132 9.609 -4.655 1.00 0.00 H new ATOM 991 N MET A 822 -11.067 6.655 -4.572 1.00 0.00 N ATOM 992 CA MET A 822 -10.493 5.581 -3.770 1.00 0.00 C ATOM 993 C MET A 822 -9.861 4.517 -4.663 1.00 0.00 C ATOM 994 O MET A 822 -8.708 4.133 -4.466 1.00 0.00 O ATOM 995 CB MET A 822 -11.565 4.947 -2.887 1.00 0.00 C ATOM 996 CG MET A 822 -11.569 5.470 -1.460 1.00 0.00 C ATOM 997 SD MET A 822 -12.920 4.789 -0.478 1.00 0.00 S ATOM 998 CE MET A 822 -12.855 3.075 -0.978 1.00 0.00 C ATOM 0 H MET A 822 -12.063 6.809 -4.418 1.00 0.00 H new ATOM 0 HA MET A 822 -9.717 6.009 -3.136 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.543 5.126 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.416 3.867 -2.868 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.619 5.225 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.647 6.557 -1.475 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.435 2.470 -0.281 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.271 2.972 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.819 2.735 -0.979 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.619 4.058 -5.652 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.120 3.076 -6.607 1.00 0.00 C ATOM 1010 C VAL A 823 -9.026 3.693 -7.473 1.00 0.00 C ATOM 1011 O VAL A 823 -8.019 3.049 -7.772 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.253 2.531 -7.509 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.748 1.412 -8.408 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.421 2.044 -6.666 1.00 0.00 C ATOM 0 H VAL A 823 -11.583 4.351 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.709 2.242 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.597 3.348 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.566 1.048 -9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.948 1.790 -9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.369 0.595 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -13.207 1.665 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -12.084 1.247 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.810 2.871 -6.071 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.225 4.951 -7.856 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.246 5.687 -8.650 1.00 0.00 C ATOM 1026 C ARG A 824 -6.890 5.701 -7.958 1.00 0.00 C ATOM 1027 O ARG A 824 -5.888 5.282 -8.542 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.721 7.121 -8.886 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.190 7.740 -10.165 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.134 9.253 -10.062 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.921 9.797 -10.665 1.00 0.00 N ATOM 1032 CZ ARG A 824 -6.183 10.762 -10.118 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -6.536 11.298 -8.952 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -5.093 11.191 -10.742 1.00 0.00 N ATOM 0 H ARG A 824 -10.063 5.486 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.143 5.183 -9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.811 7.133 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.416 7.738 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.194 7.350 -10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.827 7.453 -11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -9.007 9.682 -10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -8.181 9.547 -9.013 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.620 9.414 -11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.375 10.970 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -5.968 12.037 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -4.823 10.782 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -4.525 11.930 -10.327 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.872 6.166 -6.711 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.648 6.221 -5.926 1.00 0.00 C ATOM 1050 C GLN A 825 -5.078 4.824 -5.723 1.00 0.00 C ATOM 1051 O GLN A 825 -3.869 4.629 -5.783 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.907 6.880 -4.570 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.555 8.251 -4.669 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.598 9.323 -5.144 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.478 9.445 -4.646 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.037 10.114 -6.107 1.00 0.00 N ATOM 0 H GLN A 825 -7.698 6.511 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.921 6.820 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.547 6.228 -3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.962 6.973 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.402 8.198 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.951 8.531 -3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.972 9.978 -6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.441 10.860 -6.466 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.958 3.852 -5.500 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.542 2.468 -5.305 1.00 0.00 C ATOM 1067 C ALA A 826 -4.691 1.977 -6.476 1.00 0.00 C ATOM 1068 O ALA A 826 -3.665 1.326 -6.277 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.756 1.570 -5.112 1.00 0.00 C ATOM 0 H ALA A 826 -6.966 3.999 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.929 2.424 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.428 0.541 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.316 1.898 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.395 1.627 -5.993 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.111 2.309 -7.696 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.360 1.929 -8.892 1.00 0.00 C ATOM 1077 C ARG A 827 -2.977 2.571 -8.883 1.00 0.00 C ATOM 1078 O ARG A 827 -1.979 1.931 -9.223 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.101 2.351 -10.161 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.452 1.683 -10.347 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.515 2.694 -10.748 1.00 0.00 C ATOM 1082 NE ARG A 827 -7.344 3.167 -12.121 1.00 0.00 N ATOM 1083 CZ ARG A 827 -6.750 4.316 -12.457 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -6.230 5.107 -11.522 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.668 4.665 -13.732 1.00 0.00 N ATOM 0 H ARG A 827 -5.963 2.838 -7.882 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.257 0.844 -8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.243 3.432 -10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.475 2.126 -11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.376 0.909 -11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.747 1.189 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.501 2.242 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.480 3.544 -10.067 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.703 2.580 -12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.283 4.838 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -5.778 5.982 -11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -7.057 4.058 -14.453 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.215 5.541 -13.993 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.927 3.840 -8.492 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.668 4.570 -8.418 1.00 0.00 C ATOM 1101 C ILE A 828 -0.784 3.984 -7.322 1.00 0.00 C ATOM 1102 O ILE A 828 0.423 3.840 -7.499 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.894 6.076 -8.152 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.907 6.647 -9.148 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.578 6.837 -8.240 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.735 7.784 -8.589 1.00 0.00 C ATOM 0 H ILE A 828 -3.746 4.385 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.173 4.468 -9.384 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.293 6.192 -7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.375 6.997 -10.033 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.574 5.848 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.756 7.895 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.118 6.447 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.152 6.714 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.430 8.137 -9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.295 7.434 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.077 8.601 -8.291 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.405 3.633 -6.202 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.706 2.999 -5.092 1.00 0.00 C ATOM 1120 C LEU A 829 -0.033 1.714 -5.557 1.00 0.00 C ATOM 1121 O LEU A 829 1.154 1.501 -5.311 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.694 2.699 -3.956 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.100 2.036 -2.709 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.187 2.730 -2.286 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.110 2.057 -1.574 1.00 0.00 C ATOM 0 H LEU A 829 -2.401 3.779 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 829 0.062 3.679 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.167 3.634 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.481 2.054 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.863 1.000 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.589 2.241 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.915 2.670 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.021 3.776 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.677 1.583 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.372 3.089 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.006 1.514 -1.874 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.791 0.880 -6.261 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.271 -0.373 -6.787 1.00 0.00 C ATOM 1139 C ALA A 830 0.949 -0.127 -7.665 1.00 0.00 C ATOM 1140 O ALA A 830 1.976 -0.790 -7.519 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.350 -1.108 -7.567 1.00 0.00 C ATOM 0 H ALA A 830 -1.772 1.052 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 830 0.036 -0.996 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.946 -2.043 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.193 -1.321 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.686 -0.487 -8.397 1.00 0.00 H new ATOM 1147 N GLN A 831 0.837 0.847 -8.557 1.00 0.00 N ATOM 1148 CA GLN A 831 1.920 1.186 -9.471 1.00 0.00 C ATOM 1149 C GLN A 831 3.118 1.762 -8.715 1.00 0.00 C ATOM 1150 O GLN A 831 4.269 1.446 -9.024 1.00 0.00 O ATOM 1151 CB GLN A 831 1.420 2.184 -10.518 1.00 0.00 C ATOM 1152 CG GLN A 831 2.444 2.524 -11.590 1.00 0.00 C ATOM 1153 CD GLN A 831 2.689 4.015 -11.698 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.747 4.813 -11.715 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.951 4.402 -11.785 1.00 0.00 N ATOM 0 H GLN A 831 0.001 1.420 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 831 2.248 0.275 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.530 1.776 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.119 3.102 -10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 831 3.383 2.019 -11.365 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.100 2.144 -12.552 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.699 3.709 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 831 4.176 5.393 -11.870 1.00 0.00 H new ATOM 1164 N ALA A 832 2.842 2.595 -7.720 1.00 0.00 N ATOM 1165 CA ALA A 832 3.891 3.233 -6.937 1.00 0.00 C ATOM 1166 C ALA A 832 4.688 2.204 -6.141 1.00 0.00 C ATOM 1167 O ALA A 832 5.919 2.192 -6.187 1.00 0.00 O ATOM 1168 CB ALA A 832 3.298 4.283 -6.012 1.00 0.00 C ATOM 0 H ALA A 832 1.895 2.845 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 832 4.576 3.724 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.095 4.750 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.786 5.042 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.587 3.811 -5.334 1.00 0.00 H new ATOM 1174 N THR A 833 3.989 1.335 -5.419 1.00 0.00 N ATOM 1175 CA THR A 833 4.651 0.297 -4.643 1.00 0.00 C ATOM 1176 C THR A 833 5.395 -0.678 -5.550 1.00 0.00 C ATOM 1177 O THR A 833 6.426 -1.229 -5.164 1.00 0.00 O ATOM 1178 CB THR A 833 3.658 -0.480 -3.764 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.723 0.425 -3.167 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.392 -1.247 -2.675 1.00 0.00 C ATOM 0 H THR A 833 2.971 1.329 -5.356 1.00 0.00 H new ATOM 0 HA THR A 833 5.367 0.801 -3.994 1.00 0.00 H new ATOM 0 HB THR A 833 3.124 -1.191 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.061 0.700 -3.836 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.671 -1.790 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.086 -1.953 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.946 -0.548 -2.048 1.00 0.00 H new ATOM 1188 N SER A 834 4.882 -0.881 -6.761 1.00 0.00 N ATOM 1189 CA SER A 834 5.557 -1.730 -7.731 1.00 0.00 C ATOM 1190 C SER A 834 6.953 -1.187 -8.012 1.00 0.00 C ATOM 1191 O SER A 834 7.924 -1.937 -8.030 1.00 0.00 O ATOM 1192 CB SER A 834 4.754 -1.818 -9.032 1.00 0.00 C ATOM 1193 OG SER A 834 3.494 -2.432 -8.816 1.00 0.00 O ATOM 0 H SER A 834 4.008 -0.471 -7.090 1.00 0.00 H new ATOM 0 HA SER A 834 5.639 -2.733 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.609 -0.818 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.317 -2.387 -9.772 1.00 0.00 H new ATOM 0 HG SER A 834 2.834 -1.749 -8.576 1.00 0.00 H new ATOM 1199 N ASP A 835 7.045 0.127 -8.193 1.00 0.00 N ATOM 1200 CA ASP A 835 8.325 0.776 -8.450 1.00 0.00 C ATOM 1201 C ASP A 835 9.200 0.750 -7.203 1.00 0.00 C ATOM 1202 O ASP A 835 10.405 0.519 -7.285 1.00 0.00 O ATOM 1203 CB ASP A 835 8.114 2.220 -8.913 1.00 0.00 C ATOM 1204 CG ASP A 835 9.397 2.877 -9.390 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.267 2.174 -9.948 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.537 4.107 -9.220 1.00 0.00 O ATOM 0 H ASP A 835 6.248 0.763 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 835 8.831 0.225 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.381 2.235 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.696 2.803 -8.092 1.00 0.00 H new ATOM 1211 N LEU A 836 8.582 0.976 -6.046 1.00 0.00 N ATOM 1212 CA LEU A 836 9.306 0.971 -4.779 1.00 0.00 C ATOM 1213 C LEU A 836 9.935 -0.396 -4.515 1.00 0.00 C ATOM 1214 O LEU A 836 11.139 -0.497 -4.283 1.00 0.00 O ATOM 1215 CB LEU A 836 8.354 1.339 -3.631 1.00 0.00 C ATOM 1216 CG LEU A 836 8.944 1.232 -2.220 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.044 2.263 -2.023 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.858 1.413 -1.172 1.00 0.00 C ATOM 0 H LEU A 836 7.583 1.164 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 836 10.105 1.710 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.008 2.361 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.478 0.693 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 836 9.375 0.238 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.451 2.173 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.837 2.093 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.634 3.264 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.296 1.334 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.399 2.395 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.099 0.640 -1.297 1.00 0.00 H new ATOM 1230 N VAL A 837 9.126 -1.445 -4.606 1.00 0.00 N ATOM 1231 CA VAL A 837 9.596 -2.799 -4.341 1.00 0.00 C ATOM 1232 C VAL A 837 10.603 -3.234 -5.400 1.00 0.00 C ATOM 1233 O VAL A 837 11.634 -3.831 -5.084 1.00 0.00 O ATOM 1234 CB VAL A 837 8.423 -3.805 -4.293 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.929 -5.232 -4.130 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.465 -3.450 -3.166 1.00 0.00 C ATOM 0 H VAL A 837 8.140 -1.384 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 837 10.082 -2.791 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 837 7.888 -3.743 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.082 -5.917 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.573 -5.488 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.495 -5.314 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.645 -4.168 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.996 -3.479 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.067 -2.449 -3.329 1.00 0.00 H new ATOM 1246 N ASN A 838 10.309 -2.907 -6.653 1.00 0.00 N ATOM 1247 CA ASN A 838 11.187 -3.252 -7.764 1.00 0.00 C ATOM 1248 C ASN A 838 12.564 -2.623 -7.580 1.00 0.00 C ATOM 1249 O ASN A 838 13.586 -3.282 -7.788 1.00 0.00 O ATOM 1250 CB ASN A 838 10.571 -2.802 -9.092 1.00 0.00 C ATOM 1251 CG ASN A 838 11.491 -3.015 -10.278 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.146 -2.084 -10.744 1.00 0.00 O ATOM 1253 ND2 ASN A 838 11.537 -4.235 -10.785 1.00 0.00 N ATOM 0 H ASN A 838 9.466 -2.401 -6.925 1.00 0.00 H new ATOM 0 HA ASN A 838 11.304 -4.336 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.642 -3.348 -9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.312 -1.745 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.131 -4.430 -11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 838 10.979 -4.981 -10.370 1.00 0.00 H new ATOM 1260 N ALA A 839 12.582 -1.359 -7.169 1.00 0.00 N ATOM 1261 CA ALA A 839 13.828 -0.642 -6.937 1.00 0.00 C ATOM 1262 C ALA A 839 14.647 -1.307 -5.836 1.00 0.00 C ATOM 1263 O ALA A 839 15.842 -1.554 -6.008 1.00 0.00 O ATOM 1264 CB ALA A 839 13.546 0.808 -6.580 1.00 0.00 C ATOM 0 H ALA A 839 11.742 -0.809 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 839 14.410 -0.672 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.487 1.330 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.009 1.286 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.940 0.849 -5.675 1.00 0.00 H new ATOM 1270 N ILE A 840 13.994 -1.606 -4.717 1.00 0.00 N ATOM 1271 CA ILE A 840 14.661 -2.232 -3.578 1.00 0.00 C ATOM 1272 C ILE A 840 15.200 -3.609 -3.952 1.00 0.00 C ATOM 1273 O ILE A 840 16.360 -3.921 -3.690 1.00 0.00 O ATOM 1274 CB ILE A 840 13.709 -2.366 -2.367 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.380 -0.986 -1.800 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.322 -3.247 -1.284 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.949 -0.846 -1.339 1.00 0.00 C ATOM 0 H ILE A 840 13.001 -1.425 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 840 15.492 -1.584 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 840 12.788 -2.839 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.045 -0.779 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.583 -0.232 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.632 -3.324 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.514 -4.241 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.259 -2.807 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.789 0.159 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.277 -1.020 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.746 -1.576 -0.555 1.00 0.00 H new ATOM 1289 N LYS A 841 14.358 -4.419 -4.584 1.00 0.00 N ATOM 1290 CA LYS A 841 14.731 -5.779 -4.959 1.00 0.00 C ATOM 1291 C LYS A 841 15.945 -5.786 -5.884 1.00 0.00 C ATOM 1292 O LYS A 841 16.798 -6.672 -5.801 1.00 0.00 O ATOM 1293 CB LYS A 841 13.556 -6.479 -5.639 1.00 0.00 C ATOM 1294 CG LYS A 841 13.323 -7.898 -5.150 1.00 0.00 C ATOM 1295 CD LYS A 841 13.616 -8.917 -6.239 1.00 0.00 C ATOM 1296 CE LYS A 841 12.387 -9.187 -7.092 1.00 0.00 C ATOM 1297 NZ LYS A 841 12.722 -9.316 -8.535 1.00 0.00 N ATOM 0 H LYS A 841 13.409 -4.156 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 841 14.994 -6.317 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.651 -5.894 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.730 -6.499 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.957 -8.095 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.290 -8.005 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 841 14.426 -8.554 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.958 -9.848 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 841 11.903 -10.102 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 841 11.669 -8.378 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 11.854 -9.499 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 13.160 -8.434 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 13.387 -10.105 -8.668 1.00 0.00 H new ATOM 1311 N ALA A 842 16.014 -4.804 -6.771 1.00 0.00 N ATOM 1312 CA ALA A 842 17.128 -4.691 -7.703 1.00 0.00 C ATOM 1313 C ALA A 842 18.373 -4.148 -7.010 1.00 0.00 C ATOM 1314 O ALA A 842 19.489 -4.599 -7.270 1.00 0.00 O ATOM 1315 CB ALA A 842 16.747 -3.802 -8.875 1.00 0.00 C ATOM 0 H ALA A 842 15.310 -4.072 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 842 17.358 -5.689 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 842 17.589 -3.727 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 842 15.891 -4.232 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 842 16.488 -2.809 -8.509 1.00 0.00 H new ATOM 1321 N ASP A 843 18.169 -3.189 -6.118 1.00 0.00 N ATOM 1322 CA ASP A 843 19.272 -2.510 -5.447 1.00 0.00 C ATOM 1323 C ASP A 843 19.916 -3.397 -4.391 1.00 0.00 C ATOM 1324 O ASP A 843 21.142 -3.512 -4.328 1.00 0.00 O ATOM 1325 CB ASP A 843 18.775 -1.221 -4.799 1.00 0.00 C ATOM 1326 CG ASP A 843 19.707 -0.055 -5.036 1.00 0.00 C ATOM 1327 OD1 ASP A 843 20.755 -0.242 -5.686 1.00 0.00 O ATOM 1328 OD2 ASP A 843 19.391 1.061 -4.572 1.00 0.00 O ATOM 0 H ASP A 843 17.244 -2.861 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 843 20.025 -2.277 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 843 17.788 -0.978 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 843 18.661 -1.378 -3.726 1.00 0.00 H new ATOM 1333 N ALA A 844 19.086 -4.034 -3.573 1.00 0.00 N ATOM 1334 CA ALA A 844 19.569 -4.881 -2.486 1.00 0.00 C ATOM 1335 C ALA A 844 20.333 -6.087 -3.025 1.00 0.00 C ATOM 1336 O ALA A 844 21.144 -6.689 -2.319 1.00 0.00 O ATOM 1337 CB ALA A 844 18.409 -5.331 -1.612 1.00 0.00 C ATOM 0 H ALA A 844 18.070 -3.980 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 844 20.258 -4.293 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.784 -5.962 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 844 17.912 -4.458 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.698 -5.896 -2.214 1.00 0.00 H new ATOM 1343 N GLU A 845 20.078 -6.419 -4.287 1.00 0.00 N ATOM 1344 CA GLU A 845 20.767 -7.516 -4.958 1.00 0.00 C ATOM 1345 C GLU A 845 22.267 -7.229 -5.060 1.00 0.00 C ATOM 1346 O GLU A 845 23.079 -8.145 -5.189 1.00 0.00 O ATOM 1347 CB GLU A 845 20.170 -7.726 -6.354 1.00 0.00 C ATOM 1348 CG GLU A 845 20.654 -8.986 -7.054 1.00 0.00 C ATOM 1349 CD GLU A 845 20.173 -10.252 -6.379 1.00 0.00 C ATOM 1350 OE1 GLU A 845 20.805 -10.683 -5.393 1.00 0.00 O ATOM 1351 OE2 GLU A 845 19.162 -10.828 -6.835 1.00 0.00 O ATOM 0 H GLU A 845 19.393 -5.939 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 845 20.633 -8.425 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 845 19.084 -7.764 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 845 20.412 -6.863 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 845 20.309 -8.977 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 845 21.744 -8.985 -7.081 1.00 0.00 H new ATOM 1358 N GLY A 846 22.625 -5.953 -4.990 1.00 0.00 N ATOM 1359 CA GLY A 846 24.019 -5.565 -5.060 1.00 0.00 C ATOM 1360 C GLY A 846 24.517 -4.978 -3.754 1.00 0.00 C ATOM 1361 O GLY A 846 25.417 -4.134 -3.743 1.00 0.00 O ATOM 0 H GLY A 846 21.971 -5.177 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 846 24.624 -6.434 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.151 -4.835 -5.858 1.00 0.00 H new ATOM 1365 N GLU A 847 23.925 -5.412 -2.650 1.00 0.00 N ATOM 1366 CA GLU A 847 24.332 -4.937 -1.335 1.00 0.00 C ATOM 1367 C GLU A 847 25.524 -5.738 -0.824 1.00 0.00 C ATOM 1368 O GLU A 847 25.679 -6.918 -1.149 1.00 0.00 O ATOM 1369 CB GLU A 847 23.173 -5.029 -0.338 1.00 0.00 C ATOM 1370 CG GLU A 847 22.822 -3.699 0.318 1.00 0.00 C ATOM 1371 CD GLU A 847 23.986 -3.091 1.079 1.00 0.00 C ATOM 1372 OE1 GLU A 847 24.950 -2.626 0.430 1.00 0.00 O ATOM 1373 OE2 GLU A 847 23.948 -3.076 2.328 1.00 0.00 O ATOM 0 H GLU A 847 23.163 -6.090 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 847 24.624 -3.891 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.292 -5.414 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 847 23.429 -5.750 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 847 22.489 -2.998 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 847 21.985 -3.846 1.001 1.00 0.00 H new ATOM 1380 N SER A 848 26.366 -5.090 -0.033 1.00 0.00 N ATOM 1381 CA SER A 848 27.542 -5.737 0.527 1.00 0.00 C ATOM 1382 C SER A 848 27.155 -6.662 1.679 1.00 0.00 C ATOM 1383 O SER A 848 27.828 -7.662 1.940 1.00 0.00 O ATOM 1384 CB SER A 848 28.535 -4.679 1.007 1.00 0.00 C ATOM 1385 OG SER A 848 28.012 -3.372 0.818 1.00 0.00 O ATOM 0 H SER A 848 26.255 -4.112 0.236 1.00 0.00 H new ATOM 0 HA SER A 848 28.011 -6.341 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 848 28.759 -4.837 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.474 -4.782 0.463 1.00 0.00 H new ATOM 0 HG SER A 848 28.663 -2.711 1.133 1.00 0.00 H new ATOM 1391 N ASP A 849 26.071 -6.324 2.365 1.00 0.00 N ATOM 1392 CA ASP A 849 25.595 -7.127 3.484 1.00 0.00 C ATOM 1393 C ASP A 849 24.326 -7.878 3.105 1.00 0.00 C ATOM 1394 O ASP A 849 23.341 -7.276 2.673 1.00 0.00 O ATOM 1395 CB ASP A 849 25.332 -6.247 4.705 1.00 0.00 C ATOM 1396 CG ASP A 849 25.152 -7.061 5.970 1.00 0.00 C ATOM 1397 OD1 ASP A 849 26.168 -7.417 6.602 1.00 0.00 O ATOM 1398 OD2 ASP A 849 23.997 -7.343 6.339 1.00 0.00 O ATOM 0 H ASP A 849 25.505 -5.499 2.166 1.00 0.00 H new ATOM 0 HA ASP A 849 26.371 -7.851 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 849 26.163 -5.554 4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 849 24.439 -5.646 4.532 1.00 0.00 H new ATOM 1403 N LEU A 850 24.351 -9.192 3.277 1.00 0.00 N ATOM 1404 CA LEU A 850 23.226 -10.038 2.900 1.00 0.00 C ATOM 1405 C LEU A 850 22.122 -9.967 3.948 1.00 0.00 C ATOM 1406 O LEU A 850 20.942 -10.117 3.633 1.00 0.00 O ATOM 1407 CB LEU A 850 23.684 -11.489 2.720 1.00 0.00 C ATOM 1408 CG LEU A 850 23.590 -12.035 1.291 1.00 0.00 C ATOM 1409 CD1 LEU A 850 22.152 -12.006 0.797 1.00 0.00 C ATOM 1410 CD2 LEU A 850 24.494 -11.245 0.356 1.00 0.00 C ATOM 0 H LEU A 850 25.141 -9.698 3.677 1.00 0.00 H new ATOM 0 HA LEU A 850 22.830 -9.672 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 850 24.718 -11.570 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 850 23.087 -12.125 3.374 1.00 0.00 H new ATOM 0 HG LEU A 850 23.926 -13.072 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 850 22.108 -12.398 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 850 21.531 -12.620 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 850 21.785 -10.980 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 850 24.414 -11.647 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 850 24.190 -10.198 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 850 25.527 -11.323 0.696 1.00 0.00 H new ATOM 1422 N GLU A 851 22.509 -9.725 5.192 1.00 0.00 N ATOM 1423 CA GLU A 851 21.549 -9.644 6.282 1.00 0.00 C ATOM 1424 C GLU A 851 20.696 -8.390 6.148 1.00 0.00 C ATOM 1425 O GLU A 851 19.471 -8.452 6.244 1.00 0.00 O ATOM 1426 CB GLU A 851 22.263 -9.657 7.633 1.00 0.00 C ATOM 1427 CG GLU A 851 21.555 -10.493 8.684 1.00 0.00 C ATOM 1428 CD GLU A 851 20.741 -11.618 8.079 1.00 0.00 C ATOM 1429 OE1 GLU A 851 21.342 -12.624 7.645 1.00 0.00 O ATOM 1430 OE2 GLU A 851 19.500 -11.495 8.034 1.00 0.00 O ATOM 0 H GLU A 851 23.480 -9.582 5.471 1.00 0.00 H new ATOM 0 HA GLU A 851 20.898 -10.516 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 851 23.275 -10.040 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 851 22.355 -8.633 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 851 22.293 -10.911 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 851 20.900 -9.851 9.273 1.00 0.00 H new ATOM 1437 N ASN A 852 21.352 -7.258 5.917 1.00 0.00 N ATOM 1438 CA ASN A 852 20.652 -6.000 5.674 1.00 0.00 C ATOM 1439 C ASN A 852 19.766 -6.128 4.442 1.00 0.00 C ATOM 1440 O ASN A 852 18.638 -5.629 4.417 1.00 0.00 O ATOM 1441 CB ASN A 852 21.651 -4.852 5.486 1.00 0.00 C ATOM 1442 CG ASN A 852 20.986 -3.569 5.016 1.00 0.00 C ATOM 1443 OD1 ASN A 852 19.957 -3.155 5.553 1.00 0.00 O ATOM 1444 ND2 ASN A 852 21.568 -2.930 4.010 1.00 0.00 N ATOM 0 H ASN A 852 22.369 -7.185 5.893 1.00 0.00 H new ATOM 0 HA ASN A 852 20.030 -5.777 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 852 22.166 -4.666 6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 852 22.409 -5.150 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 852 21.164 -2.063 3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 852 22.419 -3.305 3.592 1.00 0.00 H new ATOM 1451 N SER A 853 20.282 -6.817 3.431 1.00 0.00 N ATOM 1452 CA SER A 853 19.519 -7.099 2.226 1.00 0.00 C ATOM 1453 C SER A 853 18.242 -7.859 2.578 1.00 0.00 C ATOM 1454 O SER A 853 17.153 -7.496 2.134 1.00 0.00 O ATOM 1455 CB SER A 853 20.368 -7.906 1.239 1.00 0.00 C ATOM 1456 OG SER A 853 19.892 -7.763 -0.087 1.00 0.00 O ATOM 0 H SER A 853 21.231 -7.191 3.424 1.00 0.00 H new ATOM 0 HA SER A 853 19.243 -6.156 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 853 21.405 -7.575 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 853 20.355 -8.959 1.521 1.00 0.00 H new ATOM 0 HG SER A 853 20.583 -7.341 -0.639 1.00 0.00 H new ATOM 1462 N ARG A 854 18.377 -8.891 3.407 1.00 0.00 N ATOM 1463 CA ARG A 854 17.233 -9.692 3.832 1.00 0.00 C ATOM 1464 C ARG A 854 16.171 -8.820 4.491 1.00 0.00 C ATOM 1465 O ARG A 854 14.980 -8.976 4.224 1.00 0.00 O ATOM 1466 CB ARG A 854 17.678 -10.788 4.797 1.00 0.00 C ATOM 1467 CG ARG A 854 17.989 -12.106 4.114 1.00 0.00 C ATOM 1468 CD ARG A 854 19.199 -12.773 4.741 1.00 0.00 C ATOM 1469 NE ARG A 854 19.678 -13.901 3.949 1.00 0.00 N ATOM 1470 CZ ARG A 854 20.732 -14.641 4.279 1.00 0.00 C ATOM 1471 NH1 ARG A 854 21.374 -14.420 5.423 1.00 0.00 N ATOM 1472 NH2 ARG A 854 21.136 -15.614 3.471 1.00 0.00 N ATOM 0 H ARG A 854 19.269 -9.192 3.798 1.00 0.00 H new ATOM 0 HA ARG A 854 16.799 -10.154 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 854 18.563 -10.449 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.895 -10.948 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 854 17.127 -12.769 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 854 18.173 -11.935 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 854 20.000 -12.041 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 854 18.944 -13.117 5.743 1.00 0.00 H new ATOM 0 HE ARG A 854 19.175 -14.135 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 854 21.058 -13.681 6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 854 22.182 -14.990 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 854 20.638 -15.793 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 854 21.944 -16.183 3.722 1.00 0.00 H new ATOM 1486 N LYS A 855 16.608 -7.898 5.345 1.00 0.00 N ATOM 1487 CA LYS A 855 15.697 -6.948 5.980 1.00 0.00 C ATOM 1488 C LYS A 855 14.996 -6.114 4.919 1.00 0.00 C ATOM 1489 O LYS A 855 13.780 -5.917 4.956 1.00 0.00 O ATOM 1490 CB LYS A 855 16.454 -6.007 6.924 1.00 0.00 C ATOM 1491 CG LYS A 855 17.508 -6.688 7.781 1.00 0.00 C ATOM 1492 CD LYS A 855 16.897 -7.726 8.704 1.00 0.00 C ATOM 1493 CE LYS A 855 17.968 -8.564 9.378 1.00 0.00 C ATOM 1494 NZ LYS A 855 17.676 -10.018 9.286 1.00 0.00 N ATOM 0 H LYS A 855 17.586 -7.788 5.613 1.00 0.00 H new ATOM 0 HA LYS A 855 14.967 -7.518 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 855 16.933 -5.227 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.735 -5.514 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 855 18.248 -7.164 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 855 18.035 -5.940 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 855 16.290 -7.230 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 855 16.230 -8.374 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 855 18.934 -8.358 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 855 18.048 -8.276 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 17.952 -10.484 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 16.658 -10.158 9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 18.213 -10.431 8.497 1.00 0.00 H new ATOM 1508 N LEU A 856 15.792 -5.651 3.968 1.00 0.00 N ATOM 1509 CA LEU A 856 15.331 -4.770 2.908 1.00 0.00 C ATOM 1510 C LEU A 856 14.237 -5.417 2.076 1.00 0.00 C ATOM 1511 O LEU A 856 13.172 -4.838 1.856 1.00 0.00 O ATOM 1512 CB LEU A 856 16.521 -4.455 2.004 1.00 0.00 C ATOM 1513 CG LEU A 856 17.224 -3.129 2.300 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.482 -2.987 1.459 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.288 -1.953 2.068 1.00 0.00 C ATOM 0 H LEU A 856 16.785 -5.878 3.910 1.00 0.00 H new ATOM 0 HA LEU A 856 14.919 -3.866 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.248 -5.262 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.179 -4.445 0.969 1.00 0.00 H new ATOM 0 HG LEU A 856 17.513 -3.129 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.966 -2.037 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.165 -3.805 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.218 -3.017 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.812 -1.022 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.959 -1.950 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.421 -2.043 2.723 1.00 0.00 H new ATOM 1527 N LEU A 857 14.504 -6.631 1.646 1.00 0.00 N ATOM 1528 CA LEU A 857 13.610 -7.344 0.758 1.00 0.00 C ATOM 1529 C LEU A 857 12.392 -7.879 1.499 1.00 0.00 C ATOM 1530 O LEU A 857 11.312 -8.005 0.920 1.00 0.00 O ATOM 1531 CB LEU A 857 14.380 -8.455 0.060 1.00 0.00 C ATOM 1532 CG LEU A 857 15.677 -7.982 -0.601 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.746 -9.061 -0.508 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.425 -7.609 -2.052 1.00 0.00 C ATOM 0 H LEU A 857 15.344 -7.151 1.901 1.00 0.00 H new ATOM 0 HA LEU A 857 13.230 -6.653 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.615 -9.234 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.740 -8.908 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 857 16.033 -7.098 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.661 -8.708 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.945 -9.287 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.399 -9.962 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.356 -7.275 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.048 -8.478 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.689 -6.806 -2.099 1.00 0.00 H new ATOM 1546 N SER A 858 12.558 -8.177 2.782 1.00 0.00 N ATOM 1547 CA SER A 858 11.443 -8.623 3.603 1.00 0.00 C ATOM 1548 C SER A 858 10.448 -7.486 3.810 1.00 0.00 C ATOM 1549 O SER A 858 9.237 -7.696 3.771 1.00 0.00 O ATOM 1550 CB SER A 858 11.943 -9.147 4.949 1.00 0.00 C ATOM 1551 OG SER A 858 12.680 -10.349 4.778 1.00 0.00 O ATOM 0 H SER A 858 13.450 -8.118 3.273 1.00 0.00 H new ATOM 0 HA SER A 858 10.937 -9.437 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.571 -8.395 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.097 -9.325 5.613 1.00 0.00 H new ATOM 0 HG SER A 858 13.609 -10.134 4.554 1.00 0.00 H new ATOM 1557 N ALA A 859 10.966 -6.278 4.007 1.00 0.00 N ATOM 1558 CA ALA A 859 10.121 -5.101 4.150 1.00 0.00 C ATOM 1559 C ALA A 859 9.378 -4.818 2.848 1.00 0.00 C ATOM 1560 O ALA A 859 8.199 -4.464 2.855 1.00 0.00 O ATOM 1561 CB ALA A 859 10.952 -3.896 4.566 1.00 0.00 C ATOM 0 H ALA A 859 11.966 -6.090 4.071 1.00 0.00 H new ATOM 0 HA ALA A 859 9.385 -5.295 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.304 -3.025 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.438 -4.101 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.710 -3.698 3.808 1.00 0.00 H new ATOM 1567 N ALA A 860 10.076 -4.997 1.730 1.00 0.00 N ATOM 1568 CA ALA A 860 9.480 -4.808 0.413 1.00 0.00 C ATOM 1569 C ALA A 860 8.394 -5.849 0.151 1.00 0.00 C ATOM 1570 O ALA A 860 7.439 -5.595 -0.584 1.00 0.00 O ATOM 1571 CB ALA A 860 10.552 -4.868 -0.665 1.00 0.00 C ATOM 0 H ALA A 860 11.058 -5.273 1.711 1.00 0.00 H new ATOM 0 HA ALA A 860 9.014 -3.823 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.093 -4.725 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.287 -4.082 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.045 -5.840 -0.634 1.00 0.00 H new ATOM 1577 N LYS A 861 8.543 -7.020 0.762 1.00 0.00 N ATOM 1578 CA LYS A 861 7.543 -8.073 0.650 1.00 0.00 C ATOM 1579 C LYS A 861 6.234 -7.624 1.289 1.00 0.00 C ATOM 1580 O LYS A 861 5.159 -7.792 0.708 1.00 0.00 O ATOM 1581 CB LYS A 861 8.038 -9.360 1.314 1.00 0.00 C ATOM 1582 CG LYS A 861 7.610 -10.625 0.588 1.00 0.00 C ATOM 1583 CD LYS A 861 8.808 -11.468 0.185 1.00 0.00 C ATOM 1584 CE LYS A 861 9.205 -11.215 -1.260 1.00 0.00 C ATOM 1585 NZ LYS A 861 8.983 -12.410 -2.114 1.00 0.00 N ATOM 0 H LYS A 861 9.348 -7.263 1.340 1.00 0.00 H new ATOM 0 HA LYS A 861 7.371 -8.274 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.126 -9.334 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.667 -9.396 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.952 -11.210 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.035 -10.360 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.650 -11.243 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.573 -12.524 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.630 -10.376 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.256 -10.929 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 9.266 -12.196 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 9.551 -13.204 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.976 -12.669 -2.094 1.00 0.00 H new ATOM 1599 N ILE A 862 6.337 -7.037 2.478 1.00 0.00 N ATOM 1600 CA ILE A 862 5.173 -6.494 3.170 1.00 0.00 C ATOM 1601 C ILE A 862 4.537 -5.391 2.335 1.00 0.00 C ATOM 1602 O ILE A 862 3.316 -5.346 2.176 1.00 0.00 O ATOM 1603 CB ILE A 862 5.538 -5.924 4.558 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.469 -6.878 5.308 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.280 -5.663 5.374 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.297 -6.195 6.374 1.00 0.00 C ATOM 0 H ILE A 862 7.216 -6.925 2.983 1.00 0.00 H new ATOM 0 HA ILE A 862 4.471 -7.316 3.311 1.00 0.00 H new ATOM 0 HB ILE A 862 6.061 -4.979 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.874 -7.666 5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.136 -7.360 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.556 -5.262 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.650 -4.944 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.733 -6.596 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.934 -6.930 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.918 -5.426 5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.636 -5.737 7.110 1.00 0.00 H new ATOM 1618 N LEU A 863 5.384 -4.521 1.789 1.00 0.00 N ATOM 1619 CA LEU A 863 4.940 -3.427 0.931 1.00 0.00 C ATOM 1620 C LEU A 863 4.044 -3.946 -0.194 1.00 0.00 C ATOM 1621 O LEU A 863 2.930 -3.460 -0.392 1.00 0.00 O ATOM 1622 CB LEU A 863 6.152 -2.707 0.323 1.00 0.00 C ATOM 1623 CG LEU A 863 6.443 -1.299 0.858 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.153 -0.536 1.121 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.290 -1.376 2.119 1.00 0.00 C ATOM 0 H LEU A 863 6.394 -4.555 1.929 1.00 0.00 H new ATOM 0 HA LEU A 863 4.369 -2.729 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.035 -3.325 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.005 -2.640 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 863 7.003 -0.755 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.389 0.459 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.588 -0.446 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.557 -1.073 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.488 -0.369 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.756 -1.942 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.234 -1.872 1.893 1.00 0.00 H new ATOM 1637 N ALA A 864 4.536 -4.950 -0.911 1.00 0.00 N ATOM 1638 CA ALA A 864 3.832 -5.495 -2.065 1.00 0.00 C ATOM 1639 C ALA A 864 2.502 -6.137 -1.675 1.00 0.00 C ATOM 1640 O ALA A 864 1.467 -5.853 -2.286 1.00 0.00 O ATOM 1641 CB ALA A 864 4.715 -6.504 -2.786 1.00 0.00 C ATOM 0 H ALA A 864 5.426 -5.406 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 864 3.607 -4.666 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.180 -6.906 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.628 -6.013 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.970 -7.317 -2.105 1.00 0.00 H new ATOM 1647 N ASP A 865 2.524 -6.990 -0.655 1.00 0.00 N ATOM 1648 CA ASP A 865 1.329 -7.735 -0.261 1.00 0.00 C ATOM 1649 C ASP A 865 0.276 -6.819 0.354 1.00 0.00 C ATOM 1650 O ASP A 865 -0.922 -6.989 0.117 1.00 0.00 O ATOM 1651 CB ASP A 865 1.678 -8.854 0.720 1.00 0.00 C ATOM 1652 CG ASP A 865 0.527 -9.824 0.912 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.140 -10.176 -0.086 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.274 -10.231 2.065 1.00 0.00 O ATOM 0 H ASP A 865 3.350 -7.183 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 865 0.914 -8.177 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.551 -9.396 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 865 1.950 -8.420 1.682 1.00 0.00 H new ATOM 1659 N ALA A 866 0.719 -5.845 1.140 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.196 -4.887 1.747 1.00 0.00 C ATOM 1661 C ALA A 866 -0.872 -4.041 0.675 1.00 0.00 C ATOM 1662 O ALA A 866 -2.046 -3.694 0.790 1.00 0.00 O ATOM 1663 CB ALA A 866 0.537 -4.001 2.743 1.00 0.00 C ATOM 0 H ALA A 866 1.702 -5.698 1.371 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.965 -5.442 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.164 -3.293 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.972 -4.619 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.329 -3.455 2.230 1.00 0.00 H new ATOM 1669 N THR A 867 -0.127 -3.730 -0.380 1.00 0.00 N ATOM 1670 CA THR A 867 -0.655 -2.934 -1.477 1.00 0.00 C ATOM 1671 C THR A 867 -1.767 -3.681 -2.216 1.00 0.00 C ATOM 1672 O THR A 867 -2.761 -3.077 -2.621 1.00 0.00 O ATOM 1673 CB THR A 867 0.460 -2.529 -2.461 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.442 -1.744 -1.773 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.097 -1.730 -3.629 1.00 0.00 C ATOM 0 H THR A 867 0.844 -4.018 -0.497 1.00 0.00 H new ATOM 0 HA THR A 867 -1.077 -2.026 -1.046 1.00 0.00 H new ATOM 0 HB THR A 867 0.914 -3.439 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.904 -2.303 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.714 -1.460 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.830 -2.332 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.575 -0.824 -3.255 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.613 -4.996 -2.380 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.672 -5.798 -2.983 1.00 0.00 C ATOM 1685 C ALA A 868 -3.912 -5.746 -2.117 1.00 0.00 C ATOM 1686 O ALA A 868 -5.015 -5.561 -2.614 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.255 -7.243 -3.170 1.00 0.00 C ATOM 0 H ALA A 868 -0.780 -5.518 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.879 -5.377 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -3.074 -7.803 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.382 -7.288 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -2.009 -7.679 -2.202 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.713 -5.905 -0.814 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.801 -5.813 0.146 1.00 0.00 C ATOM 1695 C LYS A 869 -5.534 -4.491 -0.021 1.00 0.00 C ATOM 1696 O LYS A 869 -6.759 -4.437 0.032 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.261 -5.931 1.572 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.501 -7.289 2.206 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.140 -7.155 3.577 1.00 0.00 C ATOM 1700 CE LYS A 869 -5.760 -8.465 4.029 1.00 0.00 C ATOM 1701 NZ LYS A 869 -7.146 -8.284 4.533 1.00 0.00 N ATOM 0 H LYS A 869 -2.802 -6.099 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.497 -6.632 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.190 -5.728 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.725 -5.164 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.145 -7.885 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.555 -7.823 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -4.389 -6.837 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.905 -6.379 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.767 -9.168 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -5.144 -8.905 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -7.530 -9.204 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -7.138 -7.633 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -7.741 -7.888 3.777 1.00 0.00 H new ATOM 1715 N MET A 870 -4.765 -3.434 -0.244 1.00 0.00 N ATOM 1716 CA MET A 870 -5.315 -2.099 -0.428 1.00 0.00 C ATOM 1717 C MET A 870 -6.074 -1.985 -1.748 1.00 0.00 C ATOM 1718 O MET A 870 -7.232 -1.568 -1.769 1.00 0.00 O ATOM 1719 CB MET A 870 -4.196 -1.058 -0.375 1.00 0.00 C ATOM 1720 CG MET A 870 -4.429 0.029 0.659 1.00 0.00 C ATOM 1721 SD MET A 870 -6.178 0.309 0.989 1.00 0.00 S ATOM 1722 CE MET A 870 -6.520 1.612 -0.183 1.00 0.00 C ATOM 0 H MET A 870 -3.748 -3.478 -0.302 1.00 0.00 H new ATOM 0 HA MET A 870 -6.020 -1.913 0.382 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.253 -1.560 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.092 -0.598 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.927 -0.244 1.587 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.975 0.958 0.313 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.598 1.745 -0.275 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.068 2.541 0.164 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.103 1.346 -1.154 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.427 -2.370 -2.845 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.039 -2.275 -4.167 1.00 0.00 C ATOM 1734 C VAL A 871 -7.277 -3.165 -4.263 1.00 0.00 C ATOM 1735 O VAL A 871 -8.258 -2.817 -4.919 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.026 -2.629 -5.294 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.283 -4.007 -5.897 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.060 -1.570 -6.381 1.00 0.00 C ATOM 0 H VAL A 871 -4.480 -2.750 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.347 -1.239 -4.307 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.036 -2.655 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.549 -4.205 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.199 -4.766 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.285 -4.036 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.347 -1.829 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.062 -1.517 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.795 -0.602 -5.955 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.229 -4.300 -3.586 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.323 -5.250 -3.611 1.00 0.00 C ATOM 1750 C GLU A 872 -9.478 -4.759 -2.735 1.00 0.00 C ATOM 1751 O GLU A 872 -10.647 -4.976 -3.052 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.823 -6.628 -3.140 1.00 0.00 C ATOM 1753 CG GLU A 872 -7.109 -7.440 -4.212 1.00 0.00 C ATOM 1754 CD GLU A 872 -7.889 -7.554 -5.501 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -9.110 -7.795 -5.446 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -7.279 -7.410 -6.582 1.00 0.00 O ATOM 0 H GLU A 872 -6.437 -4.585 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.694 -5.343 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -7.146 -6.486 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.673 -7.203 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -6.143 -6.981 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -6.910 -8.440 -3.827 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.142 -4.071 -1.648 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.149 -3.558 -0.725 1.00 0.00 C ATOM 1765 C ALA A 873 -10.809 -2.297 -1.266 1.00 0.00 C ATOM 1766 O ALA A 873 -12.033 -2.206 -1.324 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.529 -3.272 0.633 1.00 0.00 C ATOM 0 H ALA A 873 -8.180 -3.856 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.916 -4.325 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.294 -2.890 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.109 -4.191 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.739 -2.530 0.523 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.992 -1.331 -1.670 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.492 -0.034 -2.115 1.00 0.00 C ATOM 1775 C ALA A 874 -11.345 -0.162 -3.370 1.00 0.00 C ATOM 1776 O ALA A 874 -12.335 0.549 -3.532 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.336 0.921 -2.366 1.00 0.00 C ATOM 0 H ALA A 874 -8.976 -1.422 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.122 0.366 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.725 1.884 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.769 1.056 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.684 0.509 -3.136 1.00 0.00 H new ATOM 1783 N LYS A 875 -10.959 -1.074 -4.250 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.655 -1.259 -5.504 1.00 0.00 C ATOM 1785 C LYS A 875 -12.928 -2.079 -5.290 1.00 0.00 C ATOM 1786 O LYS A 875 -13.890 -1.975 -6.057 1.00 0.00 O ATOM 1787 CB LYS A 875 -10.703 -1.916 -6.511 1.00 0.00 C ATOM 1788 CG LYS A 875 -11.238 -3.174 -7.142 1.00 0.00 C ATOM 1789 CD LYS A 875 -10.136 -3.953 -7.836 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.978 -5.341 -7.245 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.140 -6.215 -8.105 1.00 0.00 N ATOM 0 H LYS A 875 -10.163 -1.697 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 875 -11.966 -0.295 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.474 -1.198 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -9.764 -2.147 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.702 -3.798 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -12.016 -2.920 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -10.360 -4.033 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.195 -3.410 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.528 -5.265 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -10.961 -5.794 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.598 -7.143 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.030 -5.777 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -8.204 -6.338 -7.668 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.929 -2.882 -4.232 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.091 -3.681 -3.905 1.00 0.00 C ATOM 1807 C GLY A 876 -15.116 -2.895 -3.115 1.00 0.00 C ATOM 1808 O GLY A 876 -16.299 -2.872 -3.464 1.00 0.00 O ATOM 0 H GLY A 876 -12.141 -2.993 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.547 -4.051 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.781 -4.553 -3.330 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.657 -2.228 -2.063 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.532 -1.441 -1.200 1.00 0.00 C ATOM 1814 C ALA A 877 -15.721 -0.031 -1.751 1.00 0.00 C ATOM 1815 O ALA A 877 -15.729 0.950 -1.002 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.969 -1.385 0.212 1.00 0.00 C ATOM 0 H ALA A 877 -13.676 -2.216 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.507 -1.927 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.632 -0.795 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.890 -2.396 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -13.981 -0.924 0.192 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.864 0.063 -3.062 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.075 1.337 -3.724 1.00 0.00 C ATOM 1824 C ALA A 878 -17.540 1.757 -3.638 1.00 0.00 C ATOM 1825 O ALA A 878 -18.380 1.237 -4.379 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.629 1.248 -5.175 1.00 0.00 C ATOM 0 H ALA A 878 -15.837 -0.737 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 878 -15.478 2.095 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.791 2.208 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.570 0.994 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -16.206 0.478 -5.687 1.00 0.00 H new ATOM 1832 N ALA A 879 -17.826 2.691 -2.722 1.00 0.00 N ATOM 1833 CA ALA A 879 -19.172 3.234 -2.508 1.00 0.00 C ATOM 1834 C ALA A 879 -20.125 2.170 -1.977 1.00 0.00 C ATOM 1835 O ALA A 879 -20.445 2.141 -0.788 1.00 0.00 O ATOM 1836 CB ALA A 879 -19.722 3.862 -3.784 1.00 0.00 C ATOM 0 H ALA A 879 -17.122 3.094 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 879 -19.090 4.016 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -20.721 4.256 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.067 4.673 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -19.772 3.107 -4.569 1.00 0.00 H new ATOM 1842 N HIS A 880 -20.574 1.301 -2.862 1.00 0.00 N ATOM 1843 CA HIS A 880 -21.455 0.213 -2.496 1.00 0.00 C ATOM 1844 C HIS A 880 -21.064 -1.035 -3.280 1.00 0.00 C ATOM 1845 O HIS A 880 -21.202 -1.082 -4.503 1.00 0.00 O ATOM 1846 CB HIS A 880 -22.927 0.617 -2.738 1.00 0.00 C ATOM 1847 CG HIS A 880 -23.820 -0.461 -3.295 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -24.272 -1.534 -2.555 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -24.351 -0.615 -4.534 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -25.038 -2.297 -3.314 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -25.102 -1.762 -4.515 1.00 0.00 N ATOM 0 H HIS A 880 -20.338 1.331 -3.854 1.00 0.00 H new ATOM 0 HA HIS A 880 -21.355 -0.011 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -23.350 0.961 -1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -22.943 1.465 -3.422 1.00 0.00 H new ATOM 0 HD1 HIS A 880 -24.050 -1.711 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -24.209 0.043 -5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -25.529 -3.207 -3.002 1.00 0.00 H new ATOM 1860 N PRO A 881 -20.516 -2.042 -2.591 1.00 0.00 N ATOM 1861 CA PRO A 881 -20.223 -3.337 -3.193 1.00 0.00 C ATOM 1862 C PRO A 881 -21.513 -4.113 -3.421 1.00 0.00 C ATOM 1863 O PRO A 881 -22.269 -3.817 -4.346 1.00 0.00 O ATOM 1864 CB PRO A 881 -19.330 -4.038 -2.157 1.00 0.00 C ATOM 1865 CG PRO A 881 -19.023 -3.010 -1.114 1.00 0.00 C ATOM 1866 CD PRO A 881 -20.130 -2.001 -1.178 1.00 0.00 C ATOM 0 HA PRO A 881 -19.738 -3.257 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -19.840 -4.897 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -18.416 -4.411 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -18.968 -3.464 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -18.058 -2.540 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -20.960 -2.267 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -19.792 -1.009 -0.878 1.00 0.00 H new ATOM 1874 N ASP A 882 -21.771 -5.096 -2.578 1.00 0.00 N ATOM 1875 CA ASP A 882 -23.083 -5.712 -2.535 1.00 0.00 C ATOM 1876 C ASP A 882 -23.796 -5.213 -1.300 1.00 0.00 C ATOM 1877 O ASP A 882 -24.956 -4.808 -1.354 1.00 0.00 O ATOM 1878 CB ASP A 882 -22.986 -7.233 -2.529 1.00 0.00 C ATOM 1879 CG ASP A 882 -23.949 -7.855 -3.517 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -23.925 -7.462 -4.703 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -24.736 -8.735 -3.115 1.00 0.00 O ATOM 0 H ASP A 882 -21.095 -5.482 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 882 -23.643 -5.438 -3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -21.967 -7.534 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -23.198 -7.608 -1.528 1.00 0.00 H new ATOM 1886 N SER A 883 -23.052 -5.231 -0.200 1.00 0.00 N ATOM 1887 CA SER A 883 -23.438 -4.600 1.058 1.00 0.00 C ATOM 1888 C SER A 883 -24.905 -4.832 1.409 1.00 0.00 C ATOM 1889 O SER A 883 -25.718 -3.905 1.368 1.00 0.00 O ATOM 1890 CB SER A 883 -23.114 -3.099 1.002 1.00 0.00 C ATOM 1891 OG SER A 883 -23.835 -2.445 -0.031 1.00 0.00 O ATOM 0 H SER A 883 -22.144 -5.694 -0.156 1.00 0.00 H new ATOM 0 HA SER A 883 -22.859 -5.068 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.354 -2.639 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 883 -22.044 -2.963 0.842 1.00 0.00 H new ATOM 0 HG SER A 883 -24.764 -2.757 -0.030 1.00 0.00 H new ATOM 1897 N GLU A 884 -25.237 -6.069 1.749 1.00 0.00 N ATOM 1898 CA GLU A 884 -26.590 -6.398 2.159 1.00 0.00 C ATOM 1899 C GLU A 884 -26.883 -5.727 3.495 1.00 0.00 C ATOM 1900 O GLU A 884 -26.167 -5.947 4.477 1.00 0.00 O ATOM 1901 CB GLU A 884 -26.772 -7.915 2.261 1.00 0.00 C ATOM 1902 CG GLU A 884 -26.294 -8.669 1.027 1.00 0.00 C ATOM 1903 CD GLU A 884 -27.362 -8.787 -0.044 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -27.867 -7.744 -0.510 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -27.696 -9.927 -0.432 1.00 0.00 O ATOM 0 H GLU A 884 -24.589 -6.857 1.749 1.00 0.00 H new ATOM 0 HA GLU A 884 -27.293 -6.032 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -26.229 -8.280 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -27.826 -8.136 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -25.424 -8.160 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -25.969 -9.667 1.321 1.00 0.00 H new ATOM 1912 N GLU A 885 -27.918 -4.894 3.512 1.00 0.00 N ATOM 1913 CA GLU A 885 -28.238 -4.068 4.672 1.00 0.00 C ATOM 1914 C GLU A 885 -28.406 -4.916 5.926 1.00 0.00 C ATOM 1915 O GLU A 885 -29.302 -5.756 6.012 1.00 0.00 O ATOM 1916 CB GLU A 885 -29.497 -3.245 4.401 1.00 0.00 C ATOM 1917 CG GLU A 885 -29.395 -2.404 3.139 1.00 0.00 C ATOM 1918 CD GLU A 885 -30.256 -1.161 3.183 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -30.074 -0.335 4.103 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -31.111 -0.995 2.288 1.00 0.00 O ATOM 0 H GLU A 885 -28.557 -4.772 2.726 1.00 0.00 H new ATOM 0 HA GLU A 885 -27.405 -3.387 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -30.352 -3.916 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -29.688 -2.592 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -28.356 -2.114 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -29.686 -3.010 2.281 1.00 0.00 H new ATOM 1927 N GLN A 886 -27.527 -4.677 6.891 1.00 0.00 N ATOM 1928 CA GLN A 886 -27.472 -5.466 8.116 1.00 0.00 C ATOM 1929 C GLN A 886 -28.679 -5.186 9.000 1.00 0.00 C ATOM 1930 O GLN A 886 -29.256 -6.098 9.593 1.00 0.00 O ATOM 1931 CB GLN A 886 -26.180 -5.157 8.879 1.00 0.00 C ATOM 1932 CG GLN A 886 -24.915 -5.451 8.085 1.00 0.00 C ATOM 1933 CD GLN A 886 -24.393 -4.239 7.336 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -23.830 -3.321 7.930 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -24.578 -4.223 6.026 1.00 0.00 N ATOM 0 H GLN A 886 -26.832 -3.931 6.847 1.00 0.00 H new ATOM 0 HA GLN A 886 -27.486 -6.521 7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -26.181 -4.106 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -26.164 -5.740 9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -24.142 -5.813 8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -25.116 -6.252 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -25.049 -5.003 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -24.249 -3.431 5.474 1.00 0.00 H new ATOM 1944 N GLN A 887 -29.064 -3.919 9.074 1.00 0.00 N ATOM 1945 CA GLN A 887 -30.211 -3.515 9.872 1.00 0.00 C ATOM 1946 C GLN A 887 -31.505 -3.913 9.175 1.00 0.00 C ATOM 1947 O GLN A 887 -32.540 -4.089 9.820 1.00 0.00 O ATOM 1948 CB GLN A 887 -30.188 -2.006 10.110 1.00 0.00 C ATOM 1949 CG GLN A 887 -30.598 -1.605 11.516 1.00 0.00 C ATOM 1950 CD GLN A 887 -30.988 -0.145 11.612 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -30.163 0.745 11.399 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -32.244 0.112 11.931 1.00 0.00 N ATOM 0 H GLN A 887 -28.597 -3.153 8.589 1.00 0.00 H new ATOM 0 HA GLN A 887 -30.159 -4.023 10.835 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -29.184 -1.631 9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -30.855 -1.524 9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -31.436 -2.224 11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -29.774 -1.804 12.202 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -32.895 -0.655 12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -32.563 1.078 12.009 1.00 0.00 H new ATOM 1961 N GLN A 888 -31.424 -4.059 7.851 1.00 0.00 N ATOM 1962 CA GLN A 888 -32.573 -4.429 7.025 1.00 0.00 C ATOM 1963 C GLN A 888 -33.731 -3.457 7.235 1.00 0.00 C ATOM 1964 O GLN A 888 -34.893 -3.858 7.307 1.00 0.00 O ATOM 1965 CB GLN A 888 -33.017 -5.861 7.333 1.00 0.00 C ATOM 1966 CG GLN A 888 -32.522 -6.881 6.321 1.00 0.00 C ATOM 1967 CD GLN A 888 -33.593 -7.295 5.326 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -33.292 -7.860 4.276 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -34.850 -7.022 5.649 1.00 0.00 N ATOM 0 H GLN A 888 -30.562 -3.924 7.323 1.00 0.00 H new ATOM 0 HA GLN A 888 -32.269 -4.376 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -32.657 -6.139 8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -34.106 -5.895 7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -31.672 -6.465 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -32.163 -7.764 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -35.060 -6.552 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -35.607 -7.282 5.017 1.00 0.00 H new ATOM 1978 N ARG A 889 -33.401 -2.181 7.329 1.00 0.00 N ATOM 1979 CA ARG A 889 -34.391 -1.145 7.564 1.00 0.00 C ATOM 1980 C ARG A 889 -34.442 -0.200 6.372 1.00 0.00 C ATOM 1981 O ARG A 889 -33.427 0.476 6.107 1.00 0.00 O ATOM 1982 CB ARG A 889 -34.049 -0.380 8.851 1.00 0.00 C ATOM 1983 CG ARG A 889 -34.723 0.980 8.972 1.00 0.00 C ATOM 1984 CD ARG A 889 -33.722 2.113 8.797 1.00 0.00 C ATOM 1985 NE ARG A 889 -34.377 3.413 8.650 1.00 0.00 N ATOM 1986 CZ ARG A 889 -34.936 3.850 7.519 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -34.906 3.101 6.421 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -35.512 5.046 7.486 1.00 0.00 N ATOM 1989 OXT ARG A 889 -35.491 -0.141 5.700 1.00 0.00 O ATOM 0 H ARG A 889 -32.445 -1.835 7.245 1.00 0.00 H new ATOM 0 HA ARG A 889 -35.373 -1.602 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -34.333 -0.990 9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -32.969 -0.242 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -35.508 1.067 8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -35.204 1.064 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -33.053 2.141 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -33.105 1.918 7.920 1.00 0.00 H new ATOM 0 HE ARG A 889 -34.409 4.026 9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -34.454 2.187 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -35.335 3.441 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -35.527 5.628 8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -35.940 5.382 6.623 1.00 0.00 H new TER 2003 ARG A 889