USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 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 845 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 877 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.72) USER MOD Set 2.1: A 826 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 853 GLN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 785 SER OG : rot 180:sc= 0 USER MOD Single : A 786 SER OG : rot 180:sc= 0 USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD Single : A 789 SER OG : rot 180:sc= 0 USER MOD Single : A 794 TYR OH : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 796 THR OG1 : rot 180:sc= 0 USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-6.5!) USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.368 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 814 LYS NZ :NH3+ -145:sc= -1.51 (180deg=-4.68!) USER MOD Single : A 821 CYS SG : rot 67:sc=-0.00678 USER MOD Single : A 822 LYS NZ :NH3+ 160:sc= -0.108 (180deg=-0.714) USER MOD Single : A 824 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0.57 K(o=0.57,f=-5.4!) USER MOD Single : A 839 LYS NZ :NH3+ 150:sc= -0.203 (180deg=-1.01) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 TYR OH : rot -126:sc= 1.07 USER MOD Single : A 850 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= -0.0977 K(o=-0.098,f=-1.8!) USER MOD Single : A 859 MET CE :methyl -170:sc= 0 (180deg=-0.132) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 861 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -140:sc= -0.741 (180deg=-5.43!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ -175:sc= 0.00391 (180deg=0.00263) USER MOD Single : A 869 ASN : amide:sc= -0.0328 K(o=-0.033,f=-0.99) USER MOD Single : A 872 LYS NZ :NH3+ -163:sc= -3.07! (180deg=-3.15!) USER MOD Single : A 876 SER OG : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 147:sc= 0.0212 USER MOD Single : A 881 SER OG : rot 180:sc= 0 USER MOD Single : A 882 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 784 16.596 23.051 -28.289 1.00 0.00 N ATOM 2 CA GLY A 784 15.559 22.345 -29.019 1.00 0.00 C ATOM 3 C GLY A 784 15.133 21.065 -28.329 1.00 0.00 C ATOM 4 O GLY A 784 15.768 20.627 -27.370 1.00 0.00 O ATOM 0 HA2 GLY A 784 14.693 22.997 -29.135 1.00 0.00 H new ATOM 0 HA3 GLY A 784 15.919 22.111 -30.021 1.00 0.00 H new ATOM 8 N SER A 785 14.053 20.463 -28.817 1.00 0.00 N ATOM 9 CA SER A 785 13.539 19.227 -28.237 1.00 0.00 C ATOM 10 C SER A 785 14.095 18.010 -28.971 1.00 0.00 C ATOM 11 O SER A 785 14.593 18.121 -30.091 1.00 0.00 O ATOM 12 CB SER A 785 12.010 19.213 -28.289 1.00 0.00 C ATOM 13 OG SER A 785 11.466 20.316 -27.586 1.00 0.00 O ATOM 0 H SER A 785 13.517 20.811 -29.612 1.00 0.00 H new ATOM 0 HA SER A 785 13.861 19.181 -27.197 1.00 0.00 H new ATOM 0 HB2 SER A 785 11.678 19.240 -29.327 1.00 0.00 H new ATOM 0 HB3 SER A 785 11.637 18.284 -27.859 1.00 0.00 H new ATOM 0 HG SER A 785 10.488 20.285 -27.636 1.00 0.00 H new ATOM 19 N SER A 786 14.007 16.849 -28.329 1.00 0.00 N ATOM 20 CA SER A 786 14.504 15.612 -28.918 1.00 0.00 C ATOM 21 C SER A 786 13.522 14.467 -28.687 1.00 0.00 C ATOM 22 O SER A 786 12.913 14.362 -27.623 1.00 0.00 O ATOM 23 CB SER A 786 15.869 15.254 -28.327 1.00 0.00 C ATOM 24 OG SER A 786 16.381 14.066 -28.907 1.00 0.00 O ATOM 0 H SER A 786 13.596 16.740 -27.402 1.00 0.00 H new ATOM 0 HA SER A 786 14.609 15.767 -29.992 1.00 0.00 H new ATOM 0 HB2 SER A 786 16.567 16.074 -28.494 1.00 0.00 H new ATOM 0 HB3 SER A 786 15.779 15.126 -27.248 1.00 0.00 H new ATOM 0 HG SER A 786 17.255 13.860 -28.514 1.00 0.00 H new ATOM 30 N GLY A 787 13.373 13.612 -29.694 1.00 0.00 N ATOM 31 CA GLY A 787 12.463 12.486 -29.582 1.00 0.00 C ATOM 32 C GLY A 787 12.827 11.352 -30.519 1.00 0.00 C ATOM 33 O GLY A 787 12.355 11.300 -31.655 1.00 0.00 O ATOM 0 H GLY A 787 13.865 13.678 -30.585 1.00 0.00 H new ATOM 0 HA2 GLY A 787 12.467 12.120 -28.555 1.00 0.00 H new ATOM 0 HA3 GLY A 787 11.448 12.820 -29.798 1.00 0.00 H new ATOM 37 N SER A 788 13.671 10.441 -30.044 1.00 0.00 N ATOM 38 CA SER A 788 14.102 9.304 -30.850 1.00 0.00 C ATOM 39 C SER A 788 12.999 8.255 -30.943 1.00 0.00 C ATOM 40 O SER A 788 12.503 7.768 -29.927 1.00 0.00 O ATOM 41 CB SER A 788 15.366 8.681 -30.254 1.00 0.00 C ATOM 42 OG SER A 788 15.684 7.459 -30.897 1.00 0.00 O ATOM 0 H SER A 788 14.070 10.468 -29.106 1.00 0.00 H new ATOM 0 HA SER A 788 14.322 9.664 -31.855 1.00 0.00 H new ATOM 0 HB2 SER A 788 16.200 9.376 -30.354 1.00 0.00 H new ATOM 0 HB3 SER A 788 15.222 8.508 -29.188 1.00 0.00 H new ATOM 0 HG SER A 788 16.496 7.082 -30.499 1.00 0.00 H new ATOM 48 N SER A 789 12.621 7.910 -32.170 1.00 0.00 N ATOM 49 CA SER A 789 11.574 6.921 -32.397 1.00 0.00 C ATOM 50 C SER A 789 12.164 5.618 -32.929 1.00 0.00 C ATOM 51 O SER A 789 13.364 5.524 -33.179 1.00 0.00 O ATOM 52 CB SER A 789 10.536 7.464 -33.382 1.00 0.00 C ATOM 53 OG SER A 789 11.022 7.417 -34.712 1.00 0.00 O ATOM 0 H SER A 789 13.024 8.301 -33.022 1.00 0.00 H new ATOM 0 HA SER A 789 11.088 6.717 -31.443 1.00 0.00 H new ATOM 0 HB2 SER A 789 9.618 6.881 -33.306 1.00 0.00 H new ATOM 0 HB3 SER A 789 10.284 8.491 -33.120 1.00 0.00 H new ATOM 0 HG SER A 789 10.340 7.768 -35.322 1.00 0.00 H new ATOM 59 N GLY A 790 11.308 4.615 -33.098 1.00 0.00 N ATOM 60 CA GLY A 790 11.762 3.330 -33.598 1.00 0.00 C ATOM 61 C GLY A 790 11.517 2.205 -32.613 1.00 0.00 C ATOM 62 O GLY A 790 11.022 1.141 -32.984 1.00 0.00 O ATOM 0 H GLY A 790 10.309 4.669 -32.898 1.00 0.00 H new ATOM 0 HA2 GLY A 790 11.250 3.107 -34.534 1.00 0.00 H new ATOM 0 HA3 GLY A 790 12.827 3.387 -33.822 1.00 0.00 H new ATOM 66 N VAL A 791 11.866 2.438 -31.351 1.00 0.00 N ATOM 67 CA VAL A 791 11.682 1.436 -30.309 1.00 0.00 C ATOM 68 C VAL A 791 10.396 1.684 -29.529 1.00 0.00 C ATOM 69 O VAL A 791 10.369 2.484 -28.594 1.00 0.00 O ATOM 70 CB VAL A 791 12.870 1.421 -29.328 1.00 0.00 C ATOM 71 CG1 VAL A 791 12.651 0.380 -28.241 1.00 0.00 C ATOM 72 CG2 VAL A 791 14.171 1.163 -30.072 1.00 0.00 C ATOM 0 H VAL A 791 12.278 3.313 -31.026 1.00 0.00 H new ATOM 0 HA VAL A 791 11.620 0.469 -30.808 1.00 0.00 H new ATOM 0 HB VAL A 791 12.939 2.399 -28.852 1.00 0.00 H new ATOM 0 HG11 VAL A 791 13.500 0.384 -27.557 1.00 0.00 H new ATOM 0 HG12 VAL A 791 11.740 0.615 -27.690 1.00 0.00 H new ATOM 0 HG13 VAL A 791 12.555 -0.606 -28.696 1.00 0.00 H new ATOM 0 HG21 VAL A 791 15.000 1.156 -29.364 1.00 0.00 H new ATOM 0 HG22 VAL A 791 14.116 0.198 -30.577 1.00 0.00 H new ATOM 0 HG23 VAL A 791 14.331 1.950 -30.809 1.00 0.00 H new ATOM 82 N PHE A 792 9.331 0.992 -29.920 1.00 0.00 N ATOM 83 CA PHE A 792 8.040 1.137 -29.257 1.00 0.00 C ATOM 84 C PHE A 792 7.922 0.176 -28.078 1.00 0.00 C ATOM 85 O PHE A 792 7.527 -0.979 -28.241 1.00 0.00 O ATOM 86 CB PHE A 792 6.902 0.885 -30.250 1.00 0.00 C ATOM 87 CG PHE A 792 6.893 1.844 -31.406 1.00 0.00 C ATOM 88 CD1 PHE A 792 6.449 3.146 -31.240 1.00 0.00 C ATOM 89 CD2 PHE A 792 7.327 1.443 -32.659 1.00 0.00 C ATOM 90 CE1 PHE A 792 6.439 4.031 -32.302 1.00 0.00 C ATOM 91 CE2 PHE A 792 7.320 2.323 -33.724 1.00 0.00 C ATOM 92 CZ PHE A 792 6.874 3.618 -33.546 1.00 0.00 C ATOM 0 H PHE A 792 9.336 0.326 -30.692 1.00 0.00 H new ATOM 0 HA PHE A 792 7.966 2.157 -28.880 1.00 0.00 H new ATOM 0 HB2 PHE A 792 6.983 -0.132 -30.633 1.00 0.00 H new ATOM 0 HB3 PHE A 792 5.950 0.953 -29.724 1.00 0.00 H new ATOM 0 HD1 PHE A 792 6.107 3.473 -30.269 1.00 0.00 H new ATOM 0 HD2 PHE A 792 7.675 0.431 -32.805 1.00 0.00 H new ATOM 0 HE1 PHE A 792 6.092 5.044 -32.159 1.00 0.00 H new ATOM 0 HE2 PHE A 792 7.663 1.998 -34.695 1.00 0.00 H new ATOM 0 HZ PHE A 792 6.865 4.306 -34.378 1.00 0.00 H new ATOM 102 N ARG A 793 8.269 0.661 -26.890 1.00 0.00 N ATOM 103 CA ARG A 793 8.205 -0.154 -25.683 1.00 0.00 C ATOM 104 C ARG A 793 7.641 0.648 -24.514 1.00 0.00 C ATOM 105 O ARG A 793 8.041 1.790 -24.282 1.00 0.00 O ATOM 106 CB ARG A 793 9.594 -0.687 -25.327 1.00 0.00 C ATOM 107 CG ARG A 793 9.564 -1.917 -24.435 1.00 0.00 C ATOM 108 CD ARG A 793 10.968 -2.414 -24.126 1.00 0.00 C ATOM 109 NE ARG A 793 11.566 -3.108 -25.263 1.00 0.00 N ATOM 110 CZ ARG A 793 12.808 -3.577 -25.267 1.00 0.00 C ATOM 111 NH1 ARG A 793 13.580 -3.428 -24.200 1.00 0.00 N ATOM 112 NH2 ARG A 793 13.281 -4.198 -26.341 1.00 0.00 N ATOM 0 H ARG A 793 8.597 1.615 -26.738 1.00 0.00 H new ATOM 0 HA ARG A 793 7.540 -0.995 -25.878 1.00 0.00 H new ATOM 0 HB2 ARG A 793 10.128 -0.928 -26.246 1.00 0.00 H new ATOM 0 HB3 ARG A 793 10.159 0.100 -24.827 1.00 0.00 H new ATOM 0 HG2 ARG A 793 9.047 -1.681 -23.505 1.00 0.00 H new ATOM 0 HG3 ARG A 793 8.996 -2.709 -24.923 1.00 0.00 H new ATOM 0 HD2 ARG A 793 11.598 -1.570 -23.845 1.00 0.00 H new ATOM 0 HD3 ARG A 793 10.934 -3.086 -23.268 1.00 0.00 H new ATOM 0 HE ARG A 793 10.998 -3.240 -26.100 1.00 0.00 H new ATOM 0 HH11 ARG A 793 13.220 -2.952 -23.373 1.00 0.00 H new ATOM 0 HH12 ARG A 793 14.534 -3.789 -24.206 1.00 0.00 H new ATOM 0 HH21 ARG A 793 12.690 -4.315 -27.164 1.00 0.00 H new ATOM 0 HH22 ARG A 793 14.235 -4.558 -26.343 1.00 0.00 H new ATOM 126 N TYR A 794 6.711 0.045 -23.783 1.00 0.00 N ATOM 127 CA TYR A 794 6.090 0.704 -22.640 1.00 0.00 C ATOM 128 C TYR A 794 7.131 1.051 -21.580 1.00 0.00 C ATOM 129 O TYR A 794 7.933 0.206 -21.183 1.00 0.00 O ATOM 130 CB TYR A 794 5.007 -0.191 -22.035 1.00 0.00 C ATOM 131 CG TYR A 794 3.745 -0.259 -22.865 1.00 0.00 C ATOM 132 CD1 TYR A 794 3.106 0.899 -23.291 1.00 0.00 C ATOM 133 CD2 TYR A 794 3.190 -1.482 -23.223 1.00 0.00 C ATOM 134 CE1 TYR A 794 1.952 0.841 -24.048 1.00 0.00 C ATOM 135 CE2 TYR A 794 2.038 -1.549 -23.981 1.00 0.00 C ATOM 136 CZ TYR A 794 1.423 -0.385 -24.392 1.00 0.00 C ATOM 137 OH TYR A 794 0.274 -0.448 -25.146 1.00 0.00 O ATOM 0 H TYR A 794 6.370 -0.900 -23.961 1.00 0.00 H new ATOM 0 HA TYR A 794 5.633 1.629 -22.990 1.00 0.00 H new ATOM 0 HB2 TYR A 794 5.406 -1.198 -21.912 1.00 0.00 H new ATOM 0 HB3 TYR A 794 4.758 0.176 -21.040 1.00 0.00 H new ATOM 0 HD1 TYR A 794 3.519 1.861 -23.026 1.00 0.00 H new ATOM 0 HD2 TYR A 794 3.668 -2.396 -22.903 1.00 0.00 H new ATOM 0 HE1 TYR A 794 1.467 1.751 -24.369 1.00 0.00 H new ATOM 0 HE2 TYR A 794 1.621 -2.508 -24.251 1.00 0.00 H new ATOM 0 HH TYR A 794 0.036 -1.386 -25.301 1.00 0.00 H new ATOM 147 N SER A 795 7.109 2.299 -21.125 1.00 0.00 N ATOM 148 CA SER A 795 8.052 2.760 -20.112 1.00 0.00 C ATOM 149 C SER A 795 7.316 3.260 -18.872 1.00 0.00 C ATOM 150 O SER A 795 7.712 2.971 -17.742 1.00 0.00 O ATOM 151 CB SER A 795 8.936 3.873 -20.678 1.00 0.00 C ATOM 152 OG SER A 795 10.169 3.948 -19.983 1.00 0.00 O ATOM 0 H SER A 795 6.449 3.009 -21.441 1.00 0.00 H new ATOM 0 HA SER A 795 8.680 1.917 -19.825 1.00 0.00 H new ATOM 0 HB2 SER A 795 9.122 3.691 -21.736 1.00 0.00 H new ATOM 0 HB3 SER A 795 8.415 4.828 -20.605 1.00 0.00 H new ATOM 0 HG SER A 795 10.717 4.666 -20.365 1.00 0.00 H new ATOM 158 N THR A 796 6.242 4.011 -19.092 1.00 0.00 N ATOM 159 CA THR A 796 5.451 4.553 -17.994 1.00 0.00 C ATOM 160 C THR A 796 4.369 3.571 -17.560 1.00 0.00 C ATOM 161 O THR A 796 4.156 3.354 -16.367 1.00 0.00 O ATOM 162 CB THR A 796 4.790 5.888 -18.383 1.00 0.00 C ATOM 163 OG1 THR A 796 4.000 5.718 -19.566 1.00 0.00 O ATOM 164 CG2 THR A 796 5.840 6.963 -18.620 1.00 0.00 C ATOM 0 H THR A 796 5.900 4.258 -20.021 1.00 0.00 H new ATOM 0 HA THR A 796 6.137 4.724 -17.165 1.00 0.00 H new ATOM 0 HB THR A 796 4.149 6.203 -17.560 1.00 0.00 H new ATOM 0 HG1 THR A 796 3.582 6.571 -19.805 1.00 0.00 H new ATOM 0 HG21 THR A 796 5.349 7.897 -18.894 1.00 0.00 H new ATOM 0 HG22 THR A 796 6.421 7.111 -17.710 1.00 0.00 H new ATOM 0 HG23 THR A 796 6.503 6.652 -19.427 1.00 0.00 H new ATOM 172 N SER A 797 3.687 2.979 -18.536 1.00 0.00 N ATOM 173 CA SER A 797 2.624 2.021 -18.254 1.00 0.00 C ATOM 174 C SER A 797 3.183 0.772 -17.580 1.00 0.00 C ATOM 175 O SER A 797 3.493 -0.219 -18.242 1.00 0.00 O ATOM 176 CB SER A 797 1.899 1.637 -19.545 1.00 0.00 C ATOM 177 OG SER A 797 0.553 1.278 -19.287 1.00 0.00 O ATOM 0 H SER A 797 3.852 3.146 -19.529 1.00 0.00 H new ATOM 0 HA SER A 797 1.915 2.493 -17.574 1.00 0.00 H new ATOM 0 HB2 SER A 797 1.928 2.473 -20.244 1.00 0.00 H new ATOM 0 HB3 SER A 797 2.416 0.804 -20.022 1.00 0.00 H new ATOM 0 HG SER A 797 0.111 1.039 -20.128 1.00 0.00 H new ATOM 183 N LEU A 798 3.308 0.827 -16.258 1.00 0.00 N ATOM 184 CA LEU A 798 3.830 -0.300 -15.492 1.00 0.00 C ATOM 185 C LEU A 798 2.830 -0.745 -14.430 1.00 0.00 C ATOM 186 O LEU A 798 1.752 -0.166 -14.297 1.00 0.00 O ATOM 187 CB LEU A 798 5.157 0.077 -14.833 1.00 0.00 C ATOM 188 CG LEU A 798 6.371 0.145 -15.760 1.00 0.00 C ATOM 189 CD1 LEU A 798 7.564 0.749 -15.034 1.00 0.00 C ATOM 190 CD2 LEU A 798 6.714 -1.238 -16.293 1.00 0.00 C ATOM 0 H LEU A 798 3.055 1.639 -15.695 1.00 0.00 H new ATOM 0 HA LEU A 798 3.996 -1.130 -16.179 1.00 0.00 H new ATOM 0 HB2 LEU A 798 5.038 1.048 -14.352 1.00 0.00 H new ATOM 0 HB3 LEU A 798 5.367 -0.646 -14.045 1.00 0.00 H new ATOM 0 HG LEU A 798 6.122 0.787 -16.605 1.00 0.00 H new ATOM 0 HD11 LEU A 798 8.419 0.789 -15.709 1.00 0.00 H new ATOM 0 HD12 LEU A 798 7.316 1.757 -14.702 1.00 0.00 H new ATOM 0 HD13 LEU A 798 7.813 0.134 -14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 798 7.580 -1.170 -16.951 1.00 0.00 H new ATOM 0 HD22 LEU A 798 6.942 -1.903 -15.460 1.00 0.00 H new ATOM 0 HD23 LEU A 798 5.865 -1.634 -16.851 1.00 0.00 H new ATOM 202 N GLU A 799 3.196 -1.776 -13.674 1.00 0.00 N ATOM 203 CA GLU A 799 2.331 -2.297 -12.622 1.00 0.00 C ATOM 204 C GLU A 799 2.639 -1.631 -11.284 1.00 0.00 C ATOM 205 O GLU A 799 2.872 -2.305 -10.281 1.00 0.00 O ATOM 206 CB GLU A 799 2.496 -3.813 -12.500 1.00 0.00 C ATOM 207 CG GLU A 799 1.767 -4.594 -13.579 1.00 0.00 C ATOM 208 CD GLU A 799 0.335 -4.918 -13.199 1.00 0.00 C ATOM 209 OE1 GLU A 799 -0.346 -4.032 -12.642 1.00 0.00 O ATOM 210 OE2 GLU A 799 -0.104 -6.058 -13.458 1.00 0.00 O ATOM 0 H GLU A 799 4.085 -2.266 -13.771 1.00 0.00 H new ATOM 0 HA GLU A 799 1.299 -2.072 -12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 799 3.557 -4.059 -12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 799 2.131 -4.132 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 799 1.772 -4.018 -14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 799 2.305 -5.521 -13.777 1.00 0.00 H new ATOM 217 N LYS A 800 2.639 -0.302 -11.278 1.00 0.00 N ATOM 218 CA LYS A 800 2.918 0.458 -10.065 1.00 0.00 C ATOM 219 C LYS A 800 1.687 1.239 -9.618 1.00 0.00 C ATOM 220 O LYS A 800 1.640 2.464 -9.735 1.00 0.00 O ATOM 221 CB LYS A 800 4.087 1.417 -10.297 1.00 0.00 C ATOM 222 CG LYS A 800 5.361 0.725 -10.750 1.00 0.00 C ATOM 223 CD LYS A 800 6.505 1.712 -10.912 1.00 0.00 C ATOM 224 CE LYS A 800 6.968 2.253 -9.568 1.00 0.00 C ATOM 225 NZ LYS A 800 8.382 2.720 -9.615 1.00 0.00 N ATOM 0 H LYS A 800 2.449 0.271 -12.100 1.00 0.00 H new ATOM 0 HA LYS A 800 3.185 -0.247 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 800 3.798 2.154 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 800 4.288 1.962 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 800 5.639 -0.039 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 800 5.182 0.215 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 800 7.339 1.224 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 800 6.187 2.538 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 800 6.323 3.078 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 800 6.867 1.477 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 8.660 3.081 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 9.001 1.927 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 8.474 3.479 -10.320 1.00 0.00 H new ATOM 239 N HIS A 801 0.691 0.524 -9.105 1.00 0.00 N ATOM 240 CA HIS A 801 -0.540 1.151 -8.638 1.00 0.00 C ATOM 241 C HIS A 801 -0.790 0.830 -7.167 1.00 0.00 C ATOM 242 O HIS A 801 -1.074 1.721 -6.366 1.00 0.00 O ATOM 243 CB HIS A 801 -1.727 0.685 -9.482 1.00 0.00 C ATOM 244 CG HIS A 801 -1.910 -0.801 -9.488 1.00 0.00 C ATOM 245 ND1 HIS A 801 -0.911 -1.681 -9.845 1.00 0.00 N ATOM 246 CD2 HIS A 801 -2.986 -1.562 -9.178 1.00 0.00 C ATOM 247 CE1 HIS A 801 -1.364 -2.919 -9.755 1.00 0.00 C ATOM 248 NE2 HIS A 801 -2.621 -2.874 -9.352 1.00 0.00 N ATOM 0 H HIS A 801 0.712 -0.491 -9.002 1.00 0.00 H new ATOM 0 HA HIS A 801 -0.430 2.230 -8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.636 1.153 -9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.592 1.030 -10.507 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -3.952 -1.204 -8.854 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -0.802 -3.815 -9.974 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -3.223 -3.683 -9.195 1.00 0.00 H new ATOM 256 N LYS A 802 -0.682 -0.448 -6.819 1.00 0.00 N ATOM 257 CA LYS A 802 -0.895 -0.887 -5.445 1.00 0.00 C ATOM 258 C LYS A 802 0.133 -0.263 -4.508 1.00 0.00 C ATOM 259 O LYS A 802 1.268 0.005 -4.905 1.00 0.00 O ATOM 260 CB LYS A 802 -0.819 -2.413 -5.359 1.00 0.00 C ATOM 261 CG LYS A 802 -1.865 -3.123 -6.202 1.00 0.00 C ATOM 262 CD LYS A 802 -1.960 -4.598 -5.846 1.00 0.00 C ATOM 263 CE LYS A 802 -3.253 -5.212 -6.360 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.120 -6.678 -6.584 1.00 0.00 N ATOM 0 H LYS A 802 -0.448 -1.198 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.888 -0.560 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.172 -2.737 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.936 -2.716 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.835 -2.649 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -1.616 -3.018 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.109 -5.131 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.904 -4.717 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -4.053 -5.025 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.540 -4.727 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.022 -7.059 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -2.374 -6.856 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.871 -7.145 -5.689 1.00 0.00 H new ATOM 278 N LEU A 803 -0.269 -0.034 -3.263 1.00 0.00 N ATOM 279 CA LEU A 803 0.618 0.558 -2.268 1.00 0.00 C ATOM 280 C LEU A 803 0.858 -0.406 -1.111 1.00 0.00 C ATOM 281 O LEU A 803 0.062 -1.312 -0.868 1.00 0.00 O ATOM 282 CB LEU A 803 0.027 1.867 -1.743 1.00 0.00 C ATOM 283 CG LEU A 803 -0.626 2.775 -2.786 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.552 3.778 -2.115 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.435 3.493 -3.607 1.00 0.00 C ATOM 0 H LEU A 803 -1.204 -0.250 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 803 1.574 0.766 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.716 1.627 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.820 2.428 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.220 2.156 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -2.008 4.416 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.332 3.246 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.980 4.392 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -0.048 4.135 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.056 4.100 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.058 2.759 -4.118 1.00 0.00 H new ATOM 297 N PHE A 804 1.961 -0.202 -0.397 1.00 0.00 N ATOM 298 CA PHE A 804 2.306 -1.052 0.737 1.00 0.00 C ATOM 299 C PHE A 804 2.800 -0.215 1.913 1.00 0.00 C ATOM 300 O PHE A 804 3.826 0.458 1.822 1.00 0.00 O ATOM 301 CB PHE A 804 3.376 -2.068 0.333 1.00 0.00 C ATOM 302 CG PHE A 804 4.001 -2.777 1.501 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.345 -3.828 2.121 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.243 -2.391 1.979 1.00 0.00 C ATOM 305 CE1 PHE A 804 3.917 -4.483 3.195 1.00 0.00 C ATOM 306 CE2 PHE A 804 5.820 -3.042 3.052 1.00 0.00 C ATOM 307 CZ PHE A 804 5.156 -4.089 3.662 1.00 0.00 C ATOM 0 H PHE A 804 2.631 0.544 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 804 1.407 -1.586 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 804 2.931 -2.806 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.156 -1.557 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.375 -4.139 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.766 -1.572 1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.396 -5.302 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.789 -2.733 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.605 -4.598 4.502 1.00 0.00 H new ATOM 317 N ILE A 805 2.062 -0.263 3.017 1.00 0.00 N ATOM 318 CA ILE A 805 2.424 0.489 4.212 1.00 0.00 C ATOM 319 C ILE A 805 2.848 -0.444 5.341 1.00 0.00 C ATOM 320 O ILE A 805 2.302 -1.535 5.497 1.00 0.00 O ATOM 321 CB ILE A 805 1.258 1.370 4.698 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.635 2.124 3.522 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.739 2.343 5.765 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.445 3.099 3.934 1.00 0.00 C ATOM 0 H ILE A 805 1.209 -0.815 3.109 1.00 0.00 H new ATOM 0 HA ILE A 805 3.263 1.130 3.940 1.00 0.00 H new ATOM 0 HB ILE A 805 0.495 0.728 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.419 2.665 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.214 1.403 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.904 2.959 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.140 1.786 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.518 2.982 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.842 3.598 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.248 2.561 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.025 3.842 4.612 1.00 0.00 H new ATOM 336 N SER A 806 3.825 -0.005 6.128 1.00 0.00 N ATOM 337 CA SER A 806 4.324 -0.801 7.243 1.00 0.00 C ATOM 338 C SER A 806 4.547 0.070 8.476 1.00 0.00 C ATOM 339 O SER A 806 4.843 1.259 8.365 1.00 0.00 O ATOM 340 CB SER A 806 5.629 -1.499 6.855 1.00 0.00 C ATOM 341 OG SER A 806 6.458 -0.642 6.089 1.00 0.00 O ATOM 0 H SER A 806 4.287 0.897 6.014 1.00 0.00 H new ATOM 0 HA SER A 806 3.574 -1.555 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 806 6.158 -1.813 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.407 -2.401 6.284 1.00 0.00 H new ATOM 0 HG SER A 806 7.286 -1.111 5.855 1.00 0.00 H new ATOM 347 N GLY A 807 4.402 -0.532 9.653 1.00 0.00 N ATOM 348 CA GLY A 807 4.590 0.202 10.890 1.00 0.00 C ATOM 349 C GLY A 807 3.333 0.924 11.333 1.00 0.00 C ATOM 350 O GLY A 807 3.390 2.072 11.775 1.00 0.00 O ATOM 0 H GLY A 807 4.158 -1.515 9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.905 -0.487 11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.395 0.926 10.761 1.00 0.00 H new ATOM 354 N LEU A 808 2.194 0.251 11.214 1.00 0.00 N ATOM 355 CA LEU A 808 0.916 0.836 11.605 1.00 0.00 C ATOM 356 C LEU A 808 0.514 0.381 13.005 1.00 0.00 C ATOM 357 O LEU A 808 0.758 -0.755 13.409 1.00 0.00 O ATOM 358 CB LEU A 808 -0.172 0.451 10.600 1.00 0.00 C ATOM 359 CG LEU A 808 -0.103 1.144 9.239 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.026 0.458 8.243 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.461 2.617 9.372 1.00 0.00 C ATOM 0 H LEU A 808 2.129 -0.700 10.850 1.00 0.00 H new ATOM 0 HA LEU A 808 1.028 1.920 11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.126 -0.626 10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.143 0.666 11.046 1.00 0.00 H new ATOM 0 HG LEU A 808 0.919 1.071 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.964 0.965 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.725 -0.583 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.052 0.500 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.407 3.094 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.473 2.711 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.240 3.102 10.052 1.00 0.00 H new ATOM 373 N PRO A 809 -0.119 1.289 13.763 1.00 0.00 N ATOM 374 CA PRO A 809 -0.571 1.004 15.128 1.00 0.00 C ATOM 375 C PRO A 809 -1.735 0.021 15.159 1.00 0.00 C ATOM 376 O PRO A 809 -2.693 0.152 14.396 1.00 0.00 O ATOM 377 CB PRO A 809 -1.013 2.374 15.649 1.00 0.00 C ATOM 378 CG PRO A 809 -1.370 3.146 14.426 1.00 0.00 C ATOM 379 CD PRO A 809 -0.443 2.663 13.345 1.00 0.00 C ATOM 0 HA PRO A 809 0.211 0.537 15.727 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.864 2.285 16.324 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.214 2.862 16.206 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.411 2.980 14.150 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.251 4.217 14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.922 2.683 12.366 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.451 3.283 13.275 1.00 0.00 H new ATOM 387 N PHE A 810 -1.649 -0.964 16.047 1.00 0.00 N ATOM 388 CA PHE A 810 -2.696 -1.971 16.178 1.00 0.00 C ATOM 389 C PHE A 810 -4.066 -1.314 16.317 1.00 0.00 C ATOM 390 O PHE A 810 -5.087 -1.901 15.959 1.00 0.00 O ATOM 391 CB PHE A 810 -2.422 -2.868 17.386 1.00 0.00 C ATOM 392 CG PHE A 810 -0.961 -3.109 17.636 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.207 -3.859 16.749 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.341 -2.584 18.759 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.138 -4.082 16.975 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.004 -2.803 18.990 1.00 0.00 C ATOM 397 CZ PHE A 810 1.744 -3.554 18.098 1.00 0.00 C ATOM 0 H PHE A 810 -0.864 -1.086 16.687 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.695 -2.581 15.275 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.864 -2.414 18.273 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.920 -3.826 17.237 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.676 -4.275 15.870 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.915 -1.998 19.461 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.714 -4.668 16.275 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.476 -2.387 19.868 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.795 -3.728 18.278 1.00 0.00 H new ATOM 407 N SER A 811 -4.080 -0.093 16.842 1.00 0.00 N ATOM 408 CA SER A 811 -5.325 0.643 17.033 1.00 0.00 C ATOM 409 C SER A 811 -6.003 0.921 15.695 1.00 0.00 C ATOM 410 O SER A 811 -7.189 0.641 15.518 1.00 0.00 O ATOM 411 CB SER A 811 -5.056 1.959 17.765 1.00 0.00 C ATOM 412 OG SER A 811 -5.074 1.774 19.170 1.00 0.00 O ATOM 0 H SER A 811 -3.244 0.408 17.143 1.00 0.00 H new ATOM 0 HA SER A 811 -5.993 0.029 17.637 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.088 2.357 17.460 1.00 0.00 H new ATOM 0 HB3 SER A 811 -5.808 2.696 17.482 1.00 0.00 H new ATOM 0 HG SER A 811 -4.898 2.629 19.615 1.00 0.00 H new ATOM 418 N CYS A 812 -5.242 1.473 14.757 1.00 0.00 N ATOM 419 CA CYS A 812 -5.768 1.790 13.434 1.00 0.00 C ATOM 420 C CYS A 812 -6.673 0.673 12.926 1.00 0.00 C ATOM 421 O CYS A 812 -6.637 -0.449 13.433 1.00 0.00 O ATOM 422 CB CYS A 812 -4.622 2.023 12.449 1.00 0.00 C ATOM 423 SG CYS A 812 -5.145 2.686 10.850 1.00 0.00 S ATOM 0 H CYS A 812 -4.259 1.710 14.888 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.359 2.702 13.514 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.905 2.710 12.898 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.100 1.080 12.286 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.105 2.851 10.087 1.00 0.00 H new ATOM 429 N THR A 813 -7.486 0.987 11.923 1.00 0.00 N ATOM 430 CA THR A 813 -8.403 0.010 11.348 1.00 0.00 C ATOM 431 C THR A 813 -8.818 0.410 9.937 1.00 0.00 C ATOM 432 O THR A 813 -8.744 1.582 9.565 1.00 0.00 O ATOM 433 CB THR A 813 -9.665 -0.153 12.215 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.516 -1.161 11.657 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.426 1.160 12.318 1.00 0.00 C ATOM 0 H THR A 813 -7.529 1.910 11.492 1.00 0.00 H new ATOM 0 HA THR A 813 -7.871 -0.940 11.312 1.00 0.00 H new ATOM 0 HB THR A 813 -9.354 -0.453 13.216 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.315 -1.260 12.215 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.313 1.019 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.786 1.917 12.771 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.725 1.486 11.322 1.00 0.00 H new ATOM 443 N LYS A 814 -9.257 -0.570 9.154 1.00 0.00 N ATOM 444 CA LYS A 814 -9.686 -0.320 7.783 1.00 0.00 C ATOM 445 C LYS A 814 -10.384 1.031 7.669 1.00 0.00 C ATOM 446 O LYS A 814 -9.884 1.944 7.013 1.00 0.00 O ATOM 447 CB LYS A 814 -10.626 -1.432 7.311 1.00 0.00 C ATOM 448 CG LYS A 814 -10.745 -1.527 5.800 1.00 0.00 C ATOM 449 CD LYS A 814 -9.702 -2.466 5.216 1.00 0.00 C ATOM 450 CE LYS A 814 -10.107 -3.922 5.384 1.00 0.00 C ATOM 451 NZ LYS A 814 -8.931 -4.835 5.322 1.00 0.00 N ATOM 0 H LYS A 814 -9.325 -1.545 9.446 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.800 -0.306 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.270 -2.386 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.616 -1.264 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -11.742 -1.879 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -10.629 -0.536 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -9.564 -2.245 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -8.743 -2.295 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -10.616 -4.050 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.819 -4.193 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -9.206 -5.725 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -8.169 -4.383 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -8.595 -5.035 6.286 1.00 0.00 H new ATOM 465 N GLU A 815 -11.541 1.152 8.313 1.00 0.00 N ATOM 466 CA GLU A 815 -12.306 2.393 8.283 1.00 0.00 C ATOM 467 C GLU A 815 -11.377 3.603 8.248 1.00 0.00 C ATOM 468 O GLU A 815 -11.368 4.363 7.281 1.00 0.00 O ATOM 469 CB GLU A 815 -13.228 2.479 9.501 1.00 0.00 C ATOM 470 CG GLU A 815 -14.371 1.478 9.470 1.00 0.00 C ATOM 471 CD GLU A 815 -15.583 1.952 10.249 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.748 3.180 10.401 1.00 0.00 O ATOM 473 OE2 GLU A 815 -16.367 1.094 10.706 1.00 0.00 O ATOM 0 H GLU A 815 -11.969 0.406 8.862 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.912 2.395 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.639 2.318 10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.640 3.486 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.659 1.293 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.028 0.528 9.881 1.00 0.00 H new ATOM 480 N GLU A 816 -10.598 3.775 9.312 1.00 0.00 N ATOM 481 CA GLU A 816 -9.667 4.893 9.403 1.00 0.00 C ATOM 482 C GLU A 816 -8.819 5.000 8.139 1.00 0.00 C ATOM 483 O GLU A 816 -8.932 5.966 7.382 1.00 0.00 O ATOM 484 CB GLU A 816 -8.761 4.733 10.626 1.00 0.00 C ATOM 485 CG GLU A 816 -9.507 4.791 11.948 1.00 0.00 C ATOM 486 CD GLU A 816 -9.619 6.202 12.493 1.00 0.00 C ATOM 487 OE1 GLU A 816 -9.376 7.155 11.724 1.00 0.00 O ATOM 488 OE2 GLU A 816 -9.950 6.352 13.688 1.00 0.00 O ATOM 0 H GLU A 816 -10.594 3.155 10.122 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.249 5.809 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.236 3.780 10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -8.003 5.517 10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.506 4.376 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.995 4.163 12.678 1.00 0.00 H new ATOM 495 N LEU A 817 -7.970 4.003 7.917 1.00 0.00 N ATOM 496 CA LEU A 817 -7.102 3.984 6.745 1.00 0.00 C ATOM 497 C LEU A 817 -7.885 4.326 5.481 1.00 0.00 C ATOM 498 O LEU A 817 -7.665 5.369 4.867 1.00 0.00 O ATOM 499 CB LEU A 817 -6.444 2.611 6.595 1.00 0.00 C ATOM 500 CG LEU A 817 -5.062 2.597 5.941 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.094 3.475 6.718 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.533 1.174 5.842 1.00 0.00 C ATOM 0 H LEU A 817 -7.864 3.197 8.533 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.327 4.738 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.360 2.160 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -7.107 1.974 6.010 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.155 3.000 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.116 3.452 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.466 4.499 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -4.005 3.104 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.549 1.184 5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.456 0.744 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.215 0.573 5.240 1.00 0.00 H new ATOM 514 N GLU A 818 -8.801 3.441 5.102 1.00 0.00 N ATOM 515 CA GLU A 818 -9.618 3.650 3.912 1.00 0.00 C ATOM 516 C GLU A 818 -9.989 5.122 3.759 1.00 0.00 C ATOM 517 O GLU A 818 -9.803 5.713 2.696 1.00 0.00 O ATOM 518 CB GLU A 818 -10.887 2.797 3.981 1.00 0.00 C ATOM 519 CG GLU A 818 -11.595 2.652 2.644 1.00 0.00 C ATOM 520 CD GLU A 818 -13.092 2.458 2.796 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.524 1.301 2.979 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.830 3.463 2.731 1.00 0.00 O ATOM 0 H GLU A 818 -8.996 2.573 5.601 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.033 3.348 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.629 1.806 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.575 3.241 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.407 3.539 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.175 1.803 2.105 1.00 0.00 H new ATOM 529 N GLU A 819 -10.516 5.708 4.830 1.00 0.00 N ATOM 530 CA GLU A 819 -10.915 7.110 4.815 1.00 0.00 C ATOM 531 C GLU A 819 -9.760 7.999 4.364 1.00 0.00 C ATOM 532 O GLU A 819 -9.947 8.924 3.572 1.00 0.00 O ATOM 533 CB GLU A 819 -11.395 7.542 6.202 1.00 0.00 C ATOM 534 CG GLU A 819 -12.881 7.323 6.428 1.00 0.00 C ATOM 535 CD GLU A 819 -13.464 8.281 7.449 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.840 8.462 8.515 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.543 8.850 7.181 1.00 0.00 O ATOM 0 H GLU A 819 -10.676 5.233 5.718 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.735 7.221 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.836 6.991 6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.167 8.598 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.410 7.440 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -13.047 6.298 6.761 1.00 0.00 H new ATOM 544 N ILE A 820 -8.567 7.713 4.874 1.00 0.00 N ATOM 545 CA ILE A 820 -7.382 8.486 4.524 1.00 0.00 C ATOM 546 C ILE A 820 -6.973 8.239 3.076 1.00 0.00 C ATOM 547 O ILE A 820 -6.482 9.141 2.396 1.00 0.00 O ATOM 548 CB ILE A 820 -6.196 8.146 5.446 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.568 8.404 6.907 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.971 8.959 5.054 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.570 7.838 7.893 1.00 0.00 C ATOM 0 H ILE A 820 -8.395 6.952 5.531 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.641 9.537 4.652 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.958 7.088 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.655 9.479 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.549 7.971 7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.141 8.708 5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.697 8.731 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.196 10.022 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -5.897 8.058 8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.500 6.758 7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.593 8.289 7.721 1.00 0.00 H new ATOM 563 N CYS A 821 -7.180 7.012 2.609 1.00 0.00 N ATOM 564 CA CYS A 821 -6.833 6.646 1.240 1.00 0.00 C ATOM 565 C CYS A 821 -7.714 7.387 0.240 1.00 0.00 C ATOM 566 O CYS A 821 -7.220 8.127 -0.611 1.00 0.00 O ATOM 567 CB CYS A 821 -6.975 5.137 1.043 1.00 0.00 C ATOM 568 SG CYS A 821 -5.806 4.153 2.010 1.00 0.00 S ATOM 0 H CYS A 821 -7.586 6.254 3.158 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.796 6.932 1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.990 4.841 1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.842 4.905 -0.014 1.00 0.00 H new ATOM 0 HG CYS A 821 -6.082 4.270 3.275 1.00 0.00 H new ATOM 574 N LYS A 822 -9.023 7.183 0.347 1.00 0.00 N ATOM 575 CA LYS A 822 -9.974 7.830 -0.548 1.00 0.00 C ATOM 576 C LYS A 822 -9.802 9.345 -0.522 1.00 0.00 C ATOM 577 O LYS A 822 -10.325 10.054 -1.381 1.00 0.00 O ATOM 578 CB LYS A 822 -11.407 7.462 -0.155 1.00 0.00 C ATOM 579 CG LYS A 822 -11.844 8.053 1.174 1.00 0.00 C ATOM 580 CD LYS A 822 -13.343 8.299 1.208 1.00 0.00 C ATOM 581 CE LYS A 822 -13.691 9.693 0.708 1.00 0.00 C ATOM 582 NZ LYS A 822 -13.850 9.727 -0.772 1.00 0.00 N ATOM 0 H LYS A 822 -9.449 6.574 1.046 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.779 7.477 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -12.088 7.802 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.494 6.377 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.567 7.377 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.316 8.991 1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.849 7.554 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.710 8.175 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -14.614 10.028 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -12.909 10.391 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -14.401 10.566 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -12.913 9.768 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -14.347 8.870 -1.087 1.00 0.00 H new ATOM 596 N ALA A 823 -9.066 9.835 0.470 1.00 0.00 N ATOM 597 CA ALA A 823 -8.822 11.266 0.606 1.00 0.00 C ATOM 598 C ALA A 823 -7.908 11.775 -0.503 1.00 0.00 C ATOM 599 O ALA A 823 -8.074 12.892 -0.995 1.00 0.00 O ATOM 600 CB ALA A 823 -8.221 11.572 1.970 1.00 0.00 C ATOM 0 H ALA A 823 -8.628 9.262 1.191 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.778 11.782 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -8.044 12.644 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.911 11.253 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.277 11.038 2.080 1.00 0.00 H new ATOM 606 N HIS A 824 -6.942 10.949 -0.893 1.00 0.00 N ATOM 607 CA HIS A 824 -6.000 11.317 -1.945 1.00 0.00 C ATOM 608 C HIS A 824 -6.591 11.037 -3.324 1.00 0.00 C ATOM 609 O HIS A 824 -6.642 11.921 -4.179 1.00 0.00 O ATOM 610 CB HIS A 824 -4.688 10.551 -1.774 1.00 0.00 C ATOM 611 CG HIS A 824 -4.024 10.787 -0.453 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.509 12.010 -0.077 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.795 9.949 0.585 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.990 11.912 1.134 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.151 10.672 1.558 1.00 0.00 N ATOM 0 H HIS A 824 -6.791 10.021 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.801 12.386 -1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.882 9.485 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -4.003 10.838 -2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.068 8.905 0.638 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.515 12.711 1.684 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.846 10.310 2.462 1.00 0.00 H new ATOM 623 N GLY A 825 -7.034 9.801 -3.533 1.00 0.00 N ATOM 624 CA GLY A 825 -7.614 9.428 -4.810 1.00 0.00 C ATOM 625 C GLY A 825 -8.714 8.394 -4.667 1.00 0.00 C ATOM 626 O GLY A 825 -9.399 8.342 -3.646 1.00 0.00 O ATOM 0 H GLY A 825 -7.002 9.052 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -8.016 10.317 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.832 9.035 -5.460 1.00 0.00 H new ATOM 630 N THR A 826 -8.885 7.569 -5.695 1.00 0.00 N ATOM 631 CA THR A 826 -9.911 6.534 -5.682 1.00 0.00 C ATOM 632 C THR A 826 -9.368 5.229 -5.112 1.00 0.00 C ATOM 633 O THR A 826 -8.281 4.783 -5.481 1.00 0.00 O ATOM 634 CB THR A 826 -10.465 6.273 -7.095 1.00 0.00 C ATOM 635 OG1 THR A 826 -10.905 7.502 -7.683 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.621 5.285 -7.050 1.00 0.00 C ATOM 0 H THR A 826 -8.326 7.598 -6.548 1.00 0.00 H new ATOM 0 HA THR A 826 -10.718 6.897 -5.046 1.00 0.00 H new ATOM 0 HB THR A 826 -9.666 5.846 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.254 7.328 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 826 -11.995 5.117 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.276 4.341 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.421 5.689 -6.429 1.00 0.00 H new ATOM 644 N VAL A 827 -10.131 4.618 -4.212 1.00 0.00 N ATOM 645 CA VAL A 827 -9.727 3.361 -3.593 1.00 0.00 C ATOM 646 C VAL A 827 -10.476 2.182 -4.203 1.00 0.00 C ATOM 647 O VAL A 827 -11.675 2.012 -3.983 1.00 0.00 O ATOM 648 CB VAL A 827 -9.973 3.380 -2.072 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.550 2.060 -1.446 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.236 4.545 -1.428 1.00 0.00 C ATOM 0 H VAL A 827 -11.033 4.973 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.659 3.245 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.040 3.513 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.731 2.092 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.127 1.247 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.489 1.894 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.421 4.543 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.166 4.445 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.592 5.482 -1.856 1.00 0.00 H new ATOM 660 N LYS A 828 -9.760 1.367 -4.971 1.00 0.00 N ATOM 661 CA LYS A 828 -10.355 0.201 -5.613 1.00 0.00 C ATOM 662 C LYS A 828 -10.470 -0.961 -4.632 1.00 0.00 C ATOM 663 O LYS A 828 -11.497 -1.637 -4.573 1.00 0.00 O ATOM 664 CB LYS A 828 -9.520 -0.221 -6.825 1.00 0.00 C ATOM 665 CG LYS A 828 -9.509 0.806 -7.944 1.00 0.00 C ATOM 666 CD LYS A 828 -10.820 0.807 -8.712 1.00 0.00 C ATOM 667 CE LYS A 828 -10.856 -0.299 -9.756 1.00 0.00 C ATOM 668 NZ LYS A 828 -11.795 0.018 -10.867 1.00 0.00 N ATOM 0 H LYS A 828 -8.766 1.493 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.357 0.472 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.495 -0.406 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -9.907 -1.163 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.329 1.797 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.686 0.593 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.650 0.680 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -10.957 1.773 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -9.855 -0.451 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -11.155 -1.235 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -11.791 -0.760 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -12.755 0.138 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -11.496 0.897 -11.334 1.00 0.00 H new ATOM 682 N ASP A 829 -9.411 -1.186 -3.863 1.00 0.00 N ATOM 683 CA ASP A 829 -9.394 -2.265 -2.882 1.00 0.00 C ATOM 684 C ASP A 829 -8.421 -1.954 -1.748 1.00 0.00 C ATOM 685 O ASP A 829 -7.447 -1.224 -1.935 1.00 0.00 O ATOM 686 CB ASP A 829 -9.011 -3.586 -3.551 1.00 0.00 C ATOM 687 CG ASP A 829 -9.446 -4.792 -2.742 1.00 0.00 C ATOM 688 OD1 ASP A 829 -10.647 -5.132 -2.782 1.00 0.00 O ATOM 689 OD2 ASP A 829 -8.584 -5.397 -2.070 1.00 0.00 O ATOM 0 H ASP A 829 -8.553 -0.636 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.396 -2.356 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.465 -3.633 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -7.931 -3.618 -3.693 1.00 0.00 H new ATOM 694 N LEU A 830 -8.692 -2.511 -0.573 1.00 0.00 N ATOM 695 CA LEU A 830 -7.841 -2.293 0.591 1.00 0.00 C ATOM 696 C LEU A 830 -7.843 -3.515 1.504 1.00 0.00 C ATOM 697 O LEU A 830 -8.900 -3.981 1.932 1.00 0.00 O ATOM 698 CB LEU A 830 -8.312 -1.062 1.368 1.00 0.00 C ATOM 699 CG LEU A 830 -7.232 -0.300 2.137 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.709 1.103 2.479 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.844 -1.056 3.400 1.00 0.00 C ATOM 0 H LEU A 830 -9.494 -3.117 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 830 -6.823 -2.126 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.785 -0.374 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.080 -1.375 2.075 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.351 -0.217 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.927 1.630 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -7.937 1.644 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.606 1.042 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.074 -0.500 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.720 -1.170 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.460 -2.040 3.131 1.00 0.00 H new ATOM 713 N ARG A 831 -6.654 -4.028 1.800 1.00 0.00 N ATOM 714 CA ARG A 831 -6.518 -5.196 2.663 1.00 0.00 C ATOM 715 C ARG A 831 -5.502 -4.937 3.771 1.00 0.00 C ATOM 716 O ARG A 831 -4.538 -4.194 3.584 1.00 0.00 O ATOM 717 CB ARG A 831 -6.096 -6.416 1.843 1.00 0.00 C ATOM 718 CG ARG A 831 -4.667 -6.340 1.330 1.00 0.00 C ATOM 719 CD ARG A 831 -4.366 -7.464 0.352 1.00 0.00 C ATOM 720 NE ARG A 831 -4.039 -8.713 1.035 1.00 0.00 N ATOM 721 CZ ARG A 831 -3.934 -9.884 0.417 1.00 0.00 C ATOM 722 NH1 ARG A 831 -4.129 -9.966 -0.892 1.00 0.00 N ATOM 723 NH2 ARG A 831 -3.632 -10.976 1.109 1.00 0.00 N ATOM 0 H ARG A 831 -5.770 -3.653 1.455 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.487 -5.393 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.206 -7.311 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -6.772 -6.525 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.505 -5.379 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -3.974 -6.392 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -5.228 -7.621 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -3.534 -7.173 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 831 -3.883 -8.684 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -4.360 -9.129 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -4.048 -10.866 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -3.480 -10.916 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -3.552 -11.875 0.634 1.00 0.00 H new ATOM 737 N LEU A 832 -5.725 -5.555 4.926 1.00 0.00 N ATOM 738 CA LEU A 832 -4.829 -5.392 6.066 1.00 0.00 C ATOM 739 C LEU A 832 -4.220 -6.729 6.476 1.00 0.00 C ATOM 740 O LEU A 832 -4.935 -7.666 6.830 1.00 0.00 O ATOM 741 CB LEU A 832 -5.582 -4.778 7.248 1.00 0.00 C ATOM 742 CG LEU A 832 -6.384 -3.511 6.948 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.283 -3.158 8.123 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.451 -2.354 6.622 1.00 0.00 C ATOM 0 H LEU A 832 -6.518 -6.173 5.098 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.022 -4.722 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.263 -5.529 7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.861 -4.550 8.033 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.014 -3.700 6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.846 -2.254 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.975 -3.979 8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.673 -2.988 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.039 -1.461 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.795 -2.165 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.849 -2.607 5.749 1.00 0.00 H new ATOM 756 N VAL A 833 -2.894 -6.809 6.427 1.00 0.00 N ATOM 757 CA VAL A 833 -2.188 -8.030 6.796 1.00 0.00 C ATOM 758 C VAL A 833 -2.437 -8.389 8.256 1.00 0.00 C ATOM 759 O VAL A 833 -1.725 -7.930 9.151 1.00 0.00 O ATOM 760 CB VAL A 833 -0.671 -7.893 6.563 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.031 -9.215 6.830 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.391 -7.407 5.149 1.00 0.00 C ATOM 0 H VAL A 833 -2.287 -6.043 6.135 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.576 -8.825 6.159 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.279 -7.153 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.101 -9.099 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.142 -9.517 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.362 -9.978 6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.685 -7.316 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.796 -8.121 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.861 -6.435 4.998 1.00 0.00 H new ATOM 772 N THR A 834 -3.452 -9.213 8.493 1.00 0.00 N ATOM 773 CA THR A 834 -3.796 -9.634 9.845 1.00 0.00 C ATOM 774 C THR A 834 -3.131 -10.960 10.194 1.00 0.00 C ATOM 775 O THR A 834 -2.354 -11.502 9.409 1.00 0.00 O ATOM 776 CB THR A 834 -5.320 -9.775 10.019 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.810 -10.844 9.202 1.00 0.00 O ATOM 778 CG2 THR A 834 -6.029 -8.481 9.648 1.00 0.00 C ATOM 0 H THR A 834 -4.051 -9.603 7.765 1.00 0.00 H new ATOM 0 HA THR A 834 -3.431 -8.859 10.519 1.00 0.00 H new ATOM 0 HB THR A 834 -5.525 -9.996 11.067 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.779 -10.928 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 834 -7.104 -8.605 9.779 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.676 -7.675 10.291 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.816 -8.235 8.608 1.00 0.00 H new ATOM 786 N ASN A 835 -3.442 -11.480 11.378 1.00 0.00 N ATOM 787 CA ASN A 835 -2.874 -12.744 11.830 1.00 0.00 C ATOM 788 C ASN A 835 -3.930 -13.846 11.831 1.00 0.00 C ATOM 789 O ASN A 835 -5.082 -13.615 11.465 1.00 0.00 O ATOM 790 CB ASN A 835 -2.283 -12.589 13.233 1.00 0.00 C ATOM 791 CG ASN A 835 -1.114 -13.523 13.475 1.00 0.00 C ATOM 792 OD1 ASN A 835 -0.918 -14.492 12.742 1.00 0.00 O ATOM 793 ND2 ASN A 835 -0.331 -13.236 14.508 1.00 0.00 N ATOM 0 H ASN A 835 -4.084 -11.045 12.041 1.00 0.00 H new ATOM 0 HA ASN A 835 -2.081 -13.025 11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -1.957 -11.559 13.375 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -3.058 -12.783 13.974 1.00 0.00 H new ATOM 0 HD21 ASN A 835 0.471 -13.829 14.720 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.531 -12.422 15.089 1.00 0.00 H new ATOM 800 N ARG A 836 -3.528 -15.043 12.244 1.00 0.00 N ATOM 801 CA ARG A 836 -4.438 -16.181 12.291 1.00 0.00 C ATOM 802 C ARG A 836 -5.691 -15.841 13.094 1.00 0.00 C ATOM 803 O ARG A 836 -6.767 -16.382 12.841 1.00 0.00 O ATOM 804 CB ARG A 836 -3.739 -17.395 12.905 1.00 0.00 C ATOM 805 CG ARG A 836 -2.708 -18.032 11.988 1.00 0.00 C ATOM 806 CD ARG A 836 -1.709 -18.870 12.770 1.00 0.00 C ATOM 807 NE ARG A 836 -0.574 -18.077 13.233 1.00 0.00 N ATOM 808 CZ ARG A 836 0.445 -17.729 12.456 1.00 0.00 C ATOM 809 NH1 ARG A 836 0.470 -18.101 11.183 1.00 0.00 N ATOM 810 NH2 ARG A 836 1.442 -17.006 12.950 1.00 0.00 N ATOM 0 H ARG A 836 -2.578 -15.250 12.551 1.00 0.00 H new ATOM 0 HA ARG A 836 -4.735 -16.420 11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -3.251 -17.093 13.832 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -4.489 -18.141 13.168 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.212 -18.658 11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -2.180 -17.254 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -2.208 -19.323 13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -1.350 -19.685 12.142 1.00 0.00 H new ATOM 0 HE ARG A 836 -0.563 -17.774 14.207 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -0.295 -18.656 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 836 1.254 -17.832 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 836 1.426 -16.717 13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 836 2.224 -16.740 12.352 1.00 0.00 H new ATOM 824 N ALA A 837 -5.541 -14.944 14.062 1.00 0.00 N ATOM 825 CA ALA A 837 -6.660 -14.531 14.901 1.00 0.00 C ATOM 826 C ALA A 837 -7.354 -13.302 14.325 1.00 0.00 C ATOM 827 O ALA A 837 -8.547 -13.094 14.538 1.00 0.00 O ATOM 828 CB ALA A 837 -6.183 -14.255 16.319 1.00 0.00 C ATOM 0 H ALA A 837 -4.656 -14.489 14.285 1.00 0.00 H new ATOM 0 HA ALA A 837 -7.384 -15.346 14.925 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -7.029 -13.948 16.934 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -5.740 -15.159 16.736 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -5.438 -13.460 16.304 1.00 0.00 H new ATOM 834 N GLY A 838 -6.597 -12.488 13.595 1.00 0.00 N ATOM 835 CA GLY A 838 -7.156 -11.288 13.001 1.00 0.00 C ATOM 836 C GLY A 838 -6.459 -10.028 13.474 1.00 0.00 C ATOM 837 O GLY A 838 -6.712 -8.939 12.958 1.00 0.00 O ATOM 0 H GLY A 838 -5.606 -12.639 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -7.082 -11.355 11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -8.217 -11.226 13.244 1.00 0.00 H new ATOM 841 N LYS A 839 -5.580 -10.174 14.459 1.00 0.00 N ATOM 842 CA LYS A 839 -4.844 -9.039 15.003 1.00 0.00 C ATOM 843 C LYS A 839 -4.019 -8.355 13.918 1.00 0.00 C ATOM 844 O LYS A 839 -3.475 -8.998 13.020 1.00 0.00 O ATOM 845 CB LYS A 839 -3.930 -9.496 16.142 1.00 0.00 C ATOM 846 CG LYS A 839 -4.682 -10.021 17.353 1.00 0.00 C ATOM 847 CD LYS A 839 -4.935 -8.922 18.371 1.00 0.00 C ATOM 848 CE LYS A 839 -6.279 -8.247 18.140 1.00 0.00 C ATOM 849 NZ LYS A 839 -7.405 -9.220 18.194 1.00 0.00 N ATOM 0 H LYS A 839 -5.360 -11.068 14.897 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.567 -8.322 15.391 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -3.265 -10.276 15.772 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.301 -8.660 16.450 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.632 -10.449 17.035 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -4.110 -10.824 17.818 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.906 -9.342 19.376 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -4.139 -8.180 18.312 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -6.431 -7.474 18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -6.274 -7.751 17.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -8.262 -8.741 18.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -7.580 -9.602 17.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -7.161 -9.998 18.840 1.00 0.00 H new ATOM 863 N PRO A 840 -3.922 -7.020 14.000 1.00 0.00 N ATOM 864 CA PRO A 840 -3.163 -6.220 13.034 1.00 0.00 C ATOM 865 C PRO A 840 -1.659 -6.435 13.158 1.00 0.00 C ATOM 866 O PRO A 840 -1.074 -6.210 14.218 1.00 0.00 O ATOM 867 CB PRO A 840 -3.529 -4.779 13.400 1.00 0.00 C ATOM 868 CG PRO A 840 -3.911 -4.840 14.839 1.00 0.00 C ATOM 869 CD PRO A 840 -4.545 -6.188 15.043 1.00 0.00 C ATOM 0 HA PRO A 840 -3.405 -6.487 12.005 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.688 -4.104 13.242 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.352 -4.411 12.787 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.038 -4.719 15.480 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.606 -4.040 15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.346 -6.579 16.041 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.628 -6.144 14.928 1.00 0.00 H new ATOM 877 N LYS A 841 -1.037 -6.872 12.068 1.00 0.00 N ATOM 878 CA LYS A 841 0.401 -7.116 12.053 1.00 0.00 C ATOM 879 C LYS A 841 1.169 -5.828 11.775 1.00 0.00 C ATOM 880 O LYS A 841 2.375 -5.751 12.004 1.00 0.00 O ATOM 881 CB LYS A 841 0.749 -8.169 10.998 1.00 0.00 C ATOM 882 CG LYS A 841 0.304 -9.573 11.369 1.00 0.00 C ATOM 883 CD LYS A 841 0.835 -10.604 10.388 1.00 0.00 C ATOM 884 CE LYS A 841 2.324 -10.846 10.585 1.00 0.00 C ATOM 885 NZ LYS A 841 2.855 -11.849 9.621 1.00 0.00 N ATOM 0 H LYS A 841 -1.506 -7.065 11.183 1.00 0.00 H new ATOM 0 HA LYS A 841 0.692 -7.486 13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.287 -7.889 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 841 1.827 -8.169 10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 841 0.652 -9.812 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.785 -9.617 11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.293 -11.541 10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.652 -10.265 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.864 -9.906 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.504 -11.190 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.872 -11.986 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.358 -12.753 9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.706 -11.509 8.649 1.00 0.00 H new ATOM 899 N GLY A 842 0.461 -4.818 11.279 1.00 0.00 N ATOM 900 CA GLY A 842 1.093 -3.546 10.979 1.00 0.00 C ATOM 901 C GLY A 842 1.178 -3.278 9.490 1.00 0.00 C ATOM 902 O GLY A 842 1.138 -2.127 9.055 1.00 0.00 O ATOM 0 H GLY A 842 -0.539 -4.858 11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.532 -2.743 11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.096 -3.533 11.405 1.00 0.00 H new ATOM 906 N LEU A 843 1.298 -4.344 8.705 1.00 0.00 N ATOM 907 CA LEU A 843 1.391 -4.219 7.254 1.00 0.00 C ATOM 908 C LEU A 843 0.007 -4.071 6.630 1.00 0.00 C ATOM 909 O LEU A 843 -0.873 -4.904 6.844 1.00 0.00 O ATOM 910 CB LEU A 843 2.103 -5.437 6.662 1.00 0.00 C ATOM 911 CG LEU A 843 3.402 -5.855 7.350 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.818 -7.248 6.905 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.507 -4.849 7.061 1.00 0.00 C ATOM 0 H LEU A 843 1.333 -5.304 9.049 1.00 0.00 H new ATOM 0 HA LEU A 843 1.969 -3.323 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.415 -6.282 6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.320 -5.232 5.614 1.00 0.00 H new ATOM 0 HG LEU A 843 3.229 -5.876 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.745 -7.528 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.036 -7.961 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.972 -7.254 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.424 -5.163 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.678 -4.795 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.211 -3.867 7.431 1.00 0.00 H new ATOM 925 N ALA A 844 -0.177 -3.006 5.857 1.00 0.00 N ATOM 926 CA ALA A 844 -1.452 -2.751 5.199 1.00 0.00 C ATOM 927 C ALA A 844 -1.263 -2.538 3.701 1.00 0.00 C ATOM 928 O ALA A 844 -0.386 -1.785 3.276 1.00 0.00 O ATOM 929 CB ALA A 844 -2.137 -1.544 5.823 1.00 0.00 C ATOM 0 H ALA A 844 0.541 -2.306 5.671 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.086 -3.627 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.088 -1.366 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.315 -1.734 6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.499 -0.667 5.714 1.00 0.00 H new ATOM 935 N TYR A 845 -2.091 -3.205 2.904 1.00 0.00 N ATOM 936 CA TYR A 845 -2.013 -3.090 1.453 1.00 0.00 C ATOM 937 C TYR A 845 -3.172 -2.261 0.908 1.00 0.00 C ATOM 938 O TYR A 845 -4.315 -2.412 1.339 1.00 0.00 O ATOM 939 CB TYR A 845 -2.018 -4.478 0.810 1.00 0.00 C ATOM 940 CG TYR A 845 -0.637 -5.066 0.627 1.00 0.00 C ATOM 941 CD1 TYR A 845 0.136 -4.741 -0.482 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.106 -5.947 1.561 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.398 -5.277 -0.654 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.156 -6.485 1.398 1.00 0.00 C ATOM 945 CZ TYR A 845 1.904 -6.147 0.289 1.00 0.00 C ATOM 946 OH TYR A 845 3.160 -6.683 0.122 1.00 0.00 O ATOM 0 H TYR A 845 -2.824 -3.831 3.239 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.080 -2.584 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.612 -5.153 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.510 -4.418 -0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.256 -4.058 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.690 -6.216 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.985 -5.016 -1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.555 -7.167 2.135 1.00 0.00 H new ATOM 0 HH TYR A 845 3.366 -7.275 0.875 1.00 0.00 H new ATOM 956 N VAL A 846 -2.868 -1.384 -0.043 1.00 0.00 N ATOM 957 CA VAL A 846 -3.883 -0.531 -0.649 1.00 0.00 C ATOM 958 C VAL A 846 -3.935 -0.726 -2.160 1.00 0.00 C ATOM 959 O VAL A 846 -2.947 -1.121 -2.778 1.00 0.00 O ATOM 960 CB VAL A 846 -3.622 0.956 -0.344 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.731 1.823 -0.921 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.488 1.176 1.156 1.00 0.00 C ATOM 0 H VAL A 846 -1.927 -1.246 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.840 -0.821 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.684 1.247 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.529 2.870 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.775 1.687 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.685 1.534 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.304 2.232 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.409 0.869 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.655 0.585 1.537 1.00 0.00 H new ATOM 972 N GLU A 847 -5.093 -0.446 -2.748 1.00 0.00 N ATOM 973 CA GLU A 847 -5.273 -0.592 -4.188 1.00 0.00 C ATOM 974 C GLU A 847 -6.049 0.590 -4.762 1.00 0.00 C ATOM 975 O GLU A 847 -7.244 0.744 -4.510 1.00 0.00 O ATOM 976 CB GLU A 847 -6.007 -1.898 -4.503 1.00 0.00 C ATOM 977 CG GLU A 847 -5.636 -2.494 -5.851 1.00 0.00 C ATOM 978 CD GLU A 847 -6.750 -3.338 -6.441 1.00 0.00 C ATOM 979 OE1 GLU A 847 -7.891 -2.840 -6.526 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.478 -4.497 -6.818 1.00 0.00 O ATOM 0 H GLU A 847 -5.920 -0.117 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.286 -0.617 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.789 -2.625 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.081 -1.716 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.388 -1.690 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.741 -3.106 -5.740 1.00 0.00 H new ATOM 987 N TYR A 848 -5.359 1.423 -5.534 1.00 0.00 N ATOM 988 CA TYR A 848 -5.981 2.593 -6.141 1.00 0.00 C ATOM 989 C TYR A 848 -6.511 2.267 -7.534 1.00 0.00 C ATOM 990 O TYR A 848 -6.416 1.131 -7.995 1.00 0.00 O ATOM 991 CB TYR A 848 -4.978 3.746 -6.222 1.00 0.00 C ATOM 992 CG TYR A 848 -4.976 4.634 -4.998 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.515 4.163 -3.775 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.437 5.943 -5.065 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.512 4.970 -2.654 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.436 6.757 -3.949 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.973 6.267 -2.746 1.00 0.00 C ATOM 998 OH TYR A 848 -4.972 7.075 -1.632 1.00 0.00 O ATOM 0 H TYR A 848 -4.369 1.309 -5.754 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.820 2.893 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -3.978 3.337 -6.365 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.204 4.352 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.153 3.148 -3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -5.802 6.330 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -4.151 4.588 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -5.796 7.773 -4.018 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.870 7.441 -1.493 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.069 3.275 -8.199 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.614 3.096 -9.539 1.00 0.00 C ATOM 1010 C GLU A 849 -6.630 3.587 -10.597 1.00 0.00 C ATOM 1011 O GLU A 849 -6.546 3.027 -11.689 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.943 3.842 -9.677 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.530 3.785 -11.077 1.00 0.00 C ATOM 1014 CD GLU A 849 -10.934 4.354 -11.144 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -11.856 3.726 -10.581 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.112 5.426 -11.760 1.00 0.00 O ATOM 0 H GLU A 849 -7.155 4.223 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.786 2.031 -9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.661 3.421 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.796 4.885 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -8.885 4.338 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -9.545 2.750 -11.419 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.889 4.639 -10.264 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.911 5.207 -11.185 1.00 0.00 C ATOM 1025 C ASN A 850 -3.539 5.310 -10.527 1.00 0.00 C ATOM 1026 O ASN A 850 -3.433 5.431 -9.307 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.368 6.589 -11.657 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.602 6.522 -12.535 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.535 6.098 -13.689 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.739 6.942 -11.990 1.00 0.00 N ATOM 0 H ASN A 850 -5.947 5.115 -9.364 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.832 4.544 -12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.576 7.215 -10.790 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.559 7.067 -12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.603 6.921 -12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -7.748 7.286 -11.030 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.491 5.260 -11.344 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.126 5.347 -10.840 1.00 0.00 C ATOM 1039 C GLU A 851 -0.879 6.694 -10.167 1.00 0.00 C ATOM 1040 O GLU A 851 -0.476 6.754 -9.005 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.124 5.143 -11.979 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.081 3.717 -12.503 1.00 0.00 C ATOM 1043 CD GLU A 851 -1.130 3.453 -13.565 1.00 0.00 C ATOM 1044 OE1 GLU A 851 -2.312 3.276 -13.201 1.00 0.00 O ATOM 1045 OE2 GLU A 851 -0.770 3.424 -14.761 1.00 0.00 O ATOM 0 H GLU A 851 -2.562 5.160 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 851 -0.989 4.559 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.377 5.815 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.870 5.424 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 851 0.907 3.516 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -0.227 3.025 -11.674 1.00 0.00 H new ATOM 1052 N SER A 852 -1.124 7.771 -10.905 1.00 0.00 N ATOM 1053 CA SER A 852 -0.924 9.118 -10.382 1.00 0.00 C ATOM 1054 C SER A 852 -1.362 9.204 -8.923 1.00 0.00 C ATOM 1055 O SER A 852 -0.572 9.553 -8.047 1.00 0.00 O ATOM 1056 CB SER A 852 -1.702 10.134 -11.220 1.00 0.00 C ATOM 1057 OG SER A 852 -1.275 10.114 -12.571 1.00 0.00 O ATOM 0 H SER A 852 -1.461 7.738 -11.867 1.00 0.00 H new ATOM 0 HA SER A 852 0.140 9.349 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.768 9.912 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.564 11.133 -10.806 1.00 0.00 H new ATOM 0 HG SER A 852 -1.788 10.771 -13.086 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.627 8.883 -8.672 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.171 8.925 -7.319 1.00 0.00 C ATOM 1065 C GLN A 853 -2.239 8.225 -6.336 1.00 0.00 C ATOM 1066 O GLN A 853 -1.709 8.849 -5.417 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.554 8.271 -7.283 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.635 9.098 -7.960 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.871 8.284 -8.290 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -6.819 7.056 -8.363 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.993 8.966 -8.490 1.00 0.00 N ATOM 0 H GLN A 853 -3.294 8.591 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.263 9.970 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.498 7.295 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.838 8.097 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.914 9.927 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.235 9.532 -8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.991 9.984 -8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.857 8.472 -8.714 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.044 6.926 -6.535 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.175 6.142 -5.666 1.00 0.00 C ATOM 1082 C ALA A 854 0.113 6.895 -5.354 1.00 0.00 C ATOM 1083 O ALA A 854 0.476 7.069 -4.191 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.861 4.798 -6.308 1.00 0.00 C ATOM 0 H ALA A 854 -2.476 6.394 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.701 5.970 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.211 4.223 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.788 4.249 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.359 4.959 -7.262 1.00 0.00 H new ATOM 1090 N SER A 855 0.802 7.340 -6.401 1.00 0.00 N ATOM 1091 CA SER A 855 2.053 8.071 -6.238 1.00 0.00 C ATOM 1092 C SER A 855 1.914 9.155 -5.173 1.00 0.00 C ATOM 1093 O SER A 855 2.587 9.117 -4.144 1.00 0.00 O ATOM 1094 CB SER A 855 2.478 8.698 -7.568 1.00 0.00 C ATOM 1095 OG SER A 855 3.884 8.862 -7.627 1.00 0.00 O ATOM 0 H SER A 855 0.515 7.207 -7.371 1.00 0.00 H new ATOM 0 HA SER A 855 2.819 7.365 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.147 8.067 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.990 9.665 -7.690 1.00 0.00 H new ATOM 0 HG SER A 855 4.131 9.263 -8.487 1.00 0.00 H new ATOM 1101 N GLN A 856 1.036 10.119 -5.430 1.00 0.00 N ATOM 1102 CA GLN A 856 0.809 11.214 -4.494 1.00 0.00 C ATOM 1103 C GLN A 856 0.546 10.683 -3.089 1.00 0.00 C ATOM 1104 O GLN A 856 1.239 11.046 -2.138 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.369 12.072 -4.957 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.273 13.524 -4.518 1.00 0.00 C ATOM 1107 CD GLN A 856 0.610 14.353 -5.429 1.00 0.00 C ATOM 1108 OE1 GLN A 856 1.001 13.906 -6.508 1.00 0.00 O ATOM 1109 NE2 GLN A 856 0.931 15.568 -4.999 1.00 0.00 N ATOM 0 H GLN A 856 0.471 10.164 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 856 1.709 11.829 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.431 12.033 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.294 11.644 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.272 13.959 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.119 13.567 -3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.585 15.898 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 856 1.524 16.171 -5.570 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.459 9.822 -2.965 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.812 9.241 -1.676 1.00 0.00 C ATOM 1120 C ALA A 857 0.427 8.738 -0.943 1.00 0.00 C ATOM 1121 O ALA A 857 0.500 8.796 0.285 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.812 8.109 -1.864 1.00 0.00 C ATOM 0 H ALA A 857 -1.043 9.512 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.271 10.020 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.067 7.684 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.714 8.495 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.372 7.336 -2.494 1.00 0.00 H new ATOM 1128 N VAL A 858 1.399 8.244 -1.702 1.00 0.00 N ATOM 1129 CA VAL A 858 2.636 7.731 -1.124 1.00 0.00 C ATOM 1130 C VAL A 858 3.551 8.870 -0.687 1.00 0.00 C ATOM 1131 O VAL A 858 4.058 8.876 0.434 1.00 0.00 O ATOM 1132 CB VAL A 858 3.392 6.834 -2.122 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.706 6.357 -1.522 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.527 5.653 -2.537 1.00 0.00 C ATOM 0 H VAL A 858 1.354 8.188 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 858 2.357 7.138 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 858 3.618 7.421 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.226 5.725 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.329 7.218 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.506 5.786 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.077 5.030 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.269 5.064 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.615 6.018 -3.010 1.00 0.00 H new ATOM 1144 N MET A 859 3.758 9.832 -1.580 1.00 0.00 N ATOM 1145 CA MET A 859 4.611 10.977 -1.285 1.00 0.00 C ATOM 1146 C MET A 859 4.114 11.722 -0.051 1.00 0.00 C ATOM 1147 O MET A 859 4.858 12.479 0.572 1.00 0.00 O ATOM 1148 CB MET A 859 4.660 11.926 -2.484 1.00 0.00 C ATOM 1149 CG MET A 859 5.739 11.574 -3.495 1.00 0.00 C ATOM 1150 SD MET A 859 7.397 11.624 -2.786 1.00 0.00 S ATOM 1151 CE MET A 859 7.631 13.389 -2.597 1.00 0.00 C ATOM 0 H MET A 859 3.347 9.841 -2.513 1.00 0.00 H new ATOM 0 HA MET A 859 5.616 10.607 -1.083 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.691 11.919 -2.982 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.827 12.942 -2.126 1.00 0.00 H new ATOM 0 HG2 MET A 859 5.548 10.577 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.686 12.268 -4.334 1.00 0.00 H new ATOM 0 HE1 MET A 859 8.670 13.593 -2.338 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.385 13.891 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 859 6.981 13.759 -1.805 1.00 0.00 H new ATOM 1161 N LYS A 860 2.850 11.504 0.297 1.00 0.00 N ATOM 1162 CA LYS A 860 2.252 12.154 1.457 1.00 0.00 C ATOM 1163 C LYS A 860 2.195 11.200 2.646 1.00 0.00 C ATOM 1164 O LYS A 860 2.526 11.575 3.770 1.00 0.00 O ATOM 1165 CB LYS A 860 0.845 12.651 1.120 1.00 0.00 C ATOM 1166 CG LYS A 860 0.831 13.920 0.284 1.00 0.00 C ATOM 1167 CD LYS A 860 0.903 15.162 1.156 1.00 0.00 C ATOM 1168 CE LYS A 860 0.610 16.422 0.356 1.00 0.00 C ATOM 1169 NZ LYS A 860 0.294 17.579 1.239 1.00 0.00 N ATOM 0 H LYS A 860 2.220 10.881 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 860 2.876 13.006 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.311 11.867 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.301 12.831 2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.673 13.911 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.076 13.950 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.189 15.075 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.894 15.236 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 860 1.471 16.665 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.228 16.239 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.100 18.418 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -0.543 17.357 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.103 17.771 1.863 1.00 0.00 H new ATOM 1183 N MET A 861 1.774 9.966 2.388 1.00 0.00 N ATOM 1184 CA MET A 861 1.677 8.958 3.438 1.00 0.00 C ATOM 1185 C MET A 861 3.062 8.547 3.927 1.00 0.00 C ATOM 1186 O MET A 861 3.336 8.562 5.128 1.00 0.00 O ATOM 1187 CB MET A 861 0.919 7.731 2.927 1.00 0.00 C ATOM 1188 CG MET A 861 -0.525 8.022 2.552 1.00 0.00 C ATOM 1189 SD MET A 861 -1.659 7.810 3.938 1.00 0.00 S ATOM 1190 CE MET A 861 -2.821 6.634 3.248 1.00 0.00 C ATOM 0 H MET A 861 1.495 9.640 1.463 1.00 0.00 H new ATOM 0 HA MET A 861 1.130 9.392 4.275 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.438 7.330 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 861 0.938 6.957 3.694 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.601 9.043 2.179 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.825 7.362 1.738 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.587 6.402 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.290 7.063 2.363 1.00 0.00 H new ATOM 0 HE3 MET A 861 -2.294 5.720 2.973 1.00 0.00 H new ATOM 1200 N ASP A 862 3.930 8.181 2.992 1.00 0.00 N ATOM 1201 CA ASP A 862 5.288 7.767 3.328 1.00 0.00 C ATOM 1202 C ASP A 862 5.869 8.652 4.427 1.00 0.00 C ATOM 1203 O ASP A 862 6.087 9.845 4.226 1.00 0.00 O ATOM 1204 CB ASP A 862 6.182 7.819 2.088 1.00 0.00 C ATOM 1205 CG ASP A 862 6.745 9.204 1.838 1.00 0.00 C ATOM 1206 OD1 ASP A 862 5.979 10.084 1.394 1.00 0.00 O ATOM 1207 OD2 ASP A 862 7.952 9.408 2.086 1.00 0.00 O ATOM 0 H ASP A 862 3.718 8.162 1.994 1.00 0.00 H new ATOM 0 HA ASP A 862 5.249 6.741 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 862 7.003 7.112 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.609 7.500 1.217 1.00 0.00 H new ATOM 1212 N GLY A 863 6.116 8.056 5.590 1.00 0.00 N ATOM 1213 CA GLY A 863 6.668 8.805 6.704 1.00 0.00 C ATOM 1214 C GLY A 863 5.658 9.748 7.326 1.00 0.00 C ATOM 1215 O GLY A 863 5.967 10.908 7.596 1.00 0.00 O ATOM 0 H GLY A 863 5.944 7.069 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.027 8.110 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.531 9.376 6.362 1.00 0.00 H new ATOM 1219 N MET A 864 4.447 9.250 7.553 1.00 0.00 N ATOM 1220 CA MET A 864 3.387 10.058 8.146 1.00 0.00 C ATOM 1221 C MET A 864 3.118 9.628 9.585 1.00 0.00 C ATOM 1222 O MET A 864 3.378 8.485 9.962 1.00 0.00 O ATOM 1223 CB MET A 864 2.105 9.944 7.320 1.00 0.00 C ATOM 1224 CG MET A 864 1.459 8.569 7.387 1.00 0.00 C ATOM 1225 SD MET A 864 -0.222 8.560 6.734 1.00 0.00 S ATOM 1226 CE MET A 864 -1.022 9.717 7.843 1.00 0.00 C ATOM 0 H MET A 864 4.175 8.291 7.336 1.00 0.00 H new ATOM 0 HA MET A 864 3.716 11.097 8.150 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.390 10.690 7.669 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.330 10.180 6.280 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.066 7.859 6.826 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.444 8.229 8.422 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.019 9.353 8.091 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.433 9.813 8.755 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.101 10.690 7.358 1.00 0.00 H new ATOM 1236 N THR A 865 2.597 10.552 10.386 1.00 0.00 N ATOM 1237 CA THR A 865 2.294 10.270 11.784 1.00 0.00 C ATOM 1238 C THR A 865 0.830 9.883 11.962 1.00 0.00 C ATOM 1239 O THR A 865 -0.069 10.672 11.670 1.00 0.00 O ATOM 1240 CB THR A 865 2.607 11.481 12.682 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.781 12.150 12.211 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.810 11.046 14.126 1.00 0.00 C ATOM 0 H THR A 865 2.376 11.503 10.090 1.00 0.00 H new ATOM 0 HA THR A 865 2.926 9.434 12.082 1.00 0.00 H new ATOM 0 HB THR A 865 1.759 12.164 12.641 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.972 12.920 12.787 1.00 0.00 H new ATOM 0 HG21 THR A 865 3.030 11.918 14.741 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.904 10.563 14.491 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.642 10.344 14.181 1.00 0.00 H new ATOM 1250 N ILE A 866 0.598 8.667 12.443 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.757 8.178 12.662 1.00 0.00 C ATOM 1252 C ILE A 866 -0.943 7.695 14.097 1.00 0.00 C ATOM 1253 O ILE A 866 -0.397 6.665 14.493 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.104 7.029 11.697 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -0.993 7.502 10.246 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.502 6.501 11.983 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.126 6.385 9.235 1.00 0.00 C ATOM 0 H ILE A 866 1.331 8.002 12.689 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.428 9.016 12.473 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.392 6.218 11.850 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.765 8.248 10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.031 7.996 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.733 5.689 11.293 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.549 6.131 13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.228 7.304 11.854 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.037 6.793 8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.338 5.650 9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.099 5.906 9.348 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.718 8.446 14.872 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.979 8.094 16.263 1.00 0.00 C ATOM 1271 C LYS A 867 -0.680 8.014 17.057 1.00 0.00 C ATOM 1272 O LYS A 867 -0.529 7.161 17.932 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.721 6.758 16.342 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.102 6.790 15.709 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.127 7.417 16.639 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.396 7.798 15.893 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.190 6.601 15.501 1.00 0.00 N ATOM 0 H LYS A 867 -2.176 9.302 14.561 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.602 8.875 16.698 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.123 5.990 15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.817 6.467 17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.063 7.353 14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.411 5.776 15.456 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.370 6.718 17.439 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.700 8.303 17.109 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -7.005 8.448 16.521 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.136 8.369 15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.002 6.897 14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -6.591 5.952 14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.532 6.116 16.355 1.00 0.00 H new ATOM 1291 N GLU A 868 0.254 8.907 16.748 1.00 0.00 N ATOM 1292 CA GLU A 868 1.540 8.937 17.434 1.00 0.00 C ATOM 1293 C GLU A 868 2.409 7.755 17.012 1.00 0.00 C ATOM 1294 O GLU A 868 3.015 7.087 17.849 1.00 0.00 O ATOM 1295 CB GLU A 868 1.334 8.917 18.950 1.00 0.00 C ATOM 1296 CG GLU A 868 2.441 9.613 19.724 1.00 0.00 C ATOM 1297 CD GLU A 868 2.097 9.806 21.188 1.00 0.00 C ATOM 1298 OE1 GLU A 868 0.903 10.005 21.496 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.022 9.759 22.026 1.00 0.00 O ATOM 0 H GLU A 868 0.144 9.620 16.027 1.00 0.00 H new ATOM 0 HA GLU A 868 2.051 9.859 17.156 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.383 9.394 19.185 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.263 7.882 19.285 1.00 0.00 H new ATOM 0 HG2 GLU A 868 3.358 9.029 19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 868 2.641 10.584 19.271 1.00 0.00 H new ATOM 1306 N ASN A 869 2.464 7.505 15.708 1.00 0.00 N ATOM 1307 CA ASN A 869 3.258 6.404 15.174 1.00 0.00 C ATOM 1308 C ASN A 869 3.668 6.679 13.731 1.00 0.00 C ATOM 1309 O ASN A 869 2.851 6.583 12.814 1.00 0.00 O ATOM 1310 CB ASN A 869 2.469 5.095 15.252 1.00 0.00 C ATOM 1311 CG ASN A 869 3.361 3.874 15.133 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.047 3.688 14.128 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.356 3.036 16.163 1.00 0.00 N ATOM 0 H ASN A 869 1.969 8.049 15.002 1.00 0.00 H new ATOM 0 HA ASN A 869 4.161 6.313 15.778 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.928 5.056 16.198 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.723 5.076 14.457 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.937 2.198 16.141 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.771 3.230 16.976 1.00 0.00 H new ATOM 1320 N ILE A 870 4.937 7.020 13.537 1.00 0.00 N ATOM 1321 CA ILE A 870 5.455 7.307 12.205 1.00 0.00 C ATOM 1322 C ILE A 870 5.437 6.060 11.327 1.00 0.00 C ATOM 1323 O ILE A 870 6.239 5.145 11.514 1.00 0.00 O ATOM 1324 CB ILE A 870 6.893 7.856 12.267 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.880 9.341 12.635 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.600 7.641 10.937 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.704 9.594 14.116 1.00 0.00 C ATOM 0 H ILE A 870 5.625 7.104 14.285 1.00 0.00 H new ATOM 0 HA ILE A 870 4.803 8.064 11.770 1.00 0.00 H new ATOM 0 HB ILE A 870 7.440 7.314 13.039 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.813 9.797 12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.074 9.835 12.092 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.615 8.034 10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.636 6.575 10.712 1.00 0.00 H new ATOM 0 HG23 ILE A 870 7.056 8.160 10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.704 10.668 14.304 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.757 9.168 14.448 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.523 9.129 14.664 1.00 0.00 H new ATOM 1339 N ILE A 871 4.517 6.032 10.369 1.00 0.00 N ATOM 1340 CA ILE A 871 4.396 4.899 9.460 1.00 0.00 C ATOM 1341 C ILE A 871 5.090 5.182 8.133 1.00 0.00 C ATOM 1342 O ILE A 871 5.115 6.319 7.662 1.00 0.00 O ATOM 1343 CB ILE A 871 2.920 4.549 9.190 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.316 5.532 8.185 1.00 0.00 C ATOM 1345 CG2 ILE A 871 2.128 4.557 10.489 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.670 5.220 6.748 1.00 0.00 C ATOM 0 H ILE A 871 3.845 6.781 10.202 1.00 0.00 H new ATOM 0 HA ILE A 871 4.879 4.052 9.946 1.00 0.00 H new ATOM 0 HB ILE A 871 2.871 3.547 8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.231 5.529 8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.657 6.539 8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 871 1.087 4.308 10.282 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.548 3.822 11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.181 5.547 10.941 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.208 5.957 6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.753 5.252 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.305 4.226 6.491 1.00 0.00 H new ATOM 1358 N LYS A 872 5.654 4.139 7.532 1.00 0.00 N ATOM 1359 CA LYS A 872 6.347 4.273 6.256 1.00 0.00 C ATOM 1360 C LYS A 872 5.522 3.672 5.123 1.00 0.00 C ATOM 1361 O LYS A 872 4.794 2.699 5.320 1.00 0.00 O ATOM 1362 CB LYS A 872 7.715 3.591 6.322 1.00 0.00 C ATOM 1363 CG LYS A 872 8.553 3.786 5.070 1.00 0.00 C ATOM 1364 CD LYS A 872 9.483 2.608 4.832 1.00 0.00 C ATOM 1365 CE LYS A 872 10.134 2.680 3.460 1.00 0.00 C ATOM 1366 NZ LYS A 872 9.189 2.296 2.376 1.00 0.00 N ATOM 0 H LYS A 872 5.645 3.191 7.909 1.00 0.00 H new ATOM 0 HA LYS A 872 6.486 5.335 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.264 3.979 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.572 2.524 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.897 3.913 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 872 9.139 4.700 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.255 2.591 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 872 8.923 1.677 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.497 3.692 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 872 11.002 2.021 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 9.723 2.078 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 8.647 1.458 2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 8.535 3.083 2.190 1.00 0.00 H new ATOM 1380 N VAL A 873 5.641 4.258 3.935 1.00 0.00 N ATOM 1381 CA VAL A 873 4.908 3.779 2.770 1.00 0.00 C ATOM 1382 C VAL A 873 5.856 3.442 1.624 1.00 0.00 C ATOM 1383 O VAL A 873 6.918 4.050 1.485 1.00 0.00 O ATOM 1384 CB VAL A 873 3.883 4.821 2.284 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.114 4.293 1.082 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.934 5.199 3.410 1.00 0.00 C ATOM 0 H VAL A 873 6.238 5.065 3.755 1.00 0.00 H new ATOM 0 HA VAL A 873 4.380 2.877 3.078 1.00 0.00 H new ATOM 0 HB VAL A 873 4.420 5.718 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.395 5.043 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.810 4.077 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.586 3.381 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.217 5.936 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.402 4.311 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.502 5.621 4.239 1.00 0.00 H new ATOM 1396 N ALA A 874 5.466 2.471 0.806 1.00 0.00 N ATOM 1397 CA ALA A 874 6.280 2.055 -0.329 1.00 0.00 C ATOM 1398 C ALA A 874 5.421 1.416 -1.416 1.00 0.00 C ATOM 1399 O ALA A 874 4.423 0.758 -1.124 1.00 0.00 O ATOM 1400 CB ALA A 874 7.364 1.089 0.125 1.00 0.00 C ATOM 0 H ALA A 874 4.591 1.957 0.908 1.00 0.00 H new ATOM 0 HA ALA A 874 6.752 2.942 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 874 7.964 0.786 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.003 1.578 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.903 0.209 0.573 1.00 0.00 H new ATOM 1406 N ILE A 875 5.816 1.615 -2.669 1.00 0.00 N ATOM 1407 CA ILE A 875 5.082 1.058 -3.798 1.00 0.00 C ATOM 1408 C ILE A 875 5.030 -0.464 -3.723 1.00 0.00 C ATOM 1409 O ILE A 875 6.059 -1.135 -3.810 1.00 0.00 O ATOM 1410 CB ILE A 875 5.714 1.474 -5.140 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.734 2.998 -5.269 1.00 0.00 C ATOM 1412 CG2 ILE A 875 4.953 0.848 -6.300 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.357 3.625 -5.241 1.00 0.00 C ATOM 0 H ILE A 875 6.640 2.158 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 875 4.069 1.456 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 875 6.742 1.113 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.331 3.415 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.229 3.269 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.411 1.151 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 875 4.986 -0.238 -6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 875 3.916 1.182 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.448 4.707 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.763 3.236 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.867 3.384 -4.298 1.00 0.00 H new ATOM 1425 N SER A 876 3.826 -1.002 -3.563 1.00 0.00 N ATOM 1426 CA SER A 876 3.639 -2.446 -3.475 1.00 0.00 C ATOM 1427 C SER A 876 4.636 -3.178 -4.368 1.00 0.00 C ATOM 1428 O SER A 876 4.957 -2.720 -5.464 1.00 0.00 O ATOM 1429 CB SER A 876 2.210 -2.822 -3.870 1.00 0.00 C ATOM 1430 OG SER A 876 2.124 -4.189 -4.233 1.00 0.00 O ATOM 0 H SER A 876 2.965 -0.460 -3.492 1.00 0.00 H new ATOM 0 HA SER A 876 3.813 -2.748 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.535 -2.620 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.884 -2.200 -4.704 1.00 0.00 H new ATOM 0 HG SER A 876 1.200 -4.405 -4.480 1.00 0.00 H new ATOM 1436 N ASN A 877 5.122 -4.319 -3.891 1.00 0.00 N ATOM 1437 CA ASN A 877 6.082 -5.116 -4.645 1.00 0.00 C ATOM 1438 C ASN A 877 5.385 -5.912 -5.744 1.00 0.00 C ATOM 1439 O ASN A 877 4.499 -6.721 -5.472 1.00 0.00 O ATOM 1440 CB ASN A 877 6.834 -6.067 -3.710 1.00 0.00 C ATOM 1441 CG ASN A 877 6.065 -7.348 -3.449 1.00 0.00 C ATOM 1442 OD1 ASN A 877 5.251 -7.419 -2.528 1.00 0.00 O ATOM 1443 ND2 ASN A 877 6.321 -8.367 -4.260 1.00 0.00 N ATOM 0 H ASN A 877 4.867 -4.713 -2.985 1.00 0.00 H new ATOM 0 HA ASN A 877 6.795 -4.435 -5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 877 7.803 -6.310 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 877 7.028 -5.563 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 877 5.835 -9.255 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 877 7.004 -8.263 -5.010 1.00 0.00 H new ATOM 1450 N SER A 878 5.793 -5.675 -6.987 1.00 0.00 N ATOM 1451 CA SER A 878 5.205 -6.366 -8.129 1.00 0.00 C ATOM 1452 C SER A 878 6.030 -6.131 -9.390 1.00 0.00 C ATOM 1453 O SER A 878 6.409 -5.001 -9.696 1.00 0.00 O ATOM 1454 CB SER A 878 3.767 -5.896 -8.352 1.00 0.00 C ATOM 1455 OG SER A 878 3.735 -4.579 -8.873 1.00 0.00 O ATOM 0 H SER A 878 6.528 -5.010 -7.229 1.00 0.00 H new ATOM 0 HA SER A 878 5.201 -7.434 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 878 3.262 -6.575 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 878 3.220 -5.931 -7.410 1.00 0.00 H new ATOM 0 HG SER A 878 2.967 -4.484 -9.475 1.00 0.00 H new ATOM 1461 N GLY A 879 6.306 -7.208 -10.120 1.00 0.00 N ATOM 1462 CA GLY A 879 7.085 -7.098 -11.340 1.00 0.00 C ATOM 1463 C GLY A 879 8.005 -8.284 -11.549 1.00 0.00 C ATOM 1464 O GLY A 879 7.790 -9.367 -11.004 1.00 0.00 O ATOM 0 H GLY A 879 6.004 -8.154 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 879 6.410 -7.011 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 879 7.677 -6.184 -11.308 1.00 0.00 H new ATOM 1468 N PRO A 880 9.057 -8.087 -12.357 1.00 0.00 N ATOM 1469 CA PRO A 880 10.034 -9.138 -12.656 1.00 0.00 C ATOM 1470 C PRO A 880 10.900 -9.484 -11.450 1.00 0.00 C ATOM 1471 O PRO A 880 11.185 -8.629 -10.612 1.00 0.00 O ATOM 1472 CB PRO A 880 10.886 -8.524 -13.769 1.00 0.00 C ATOM 1473 CG PRO A 880 10.762 -7.052 -13.573 1.00 0.00 C ATOM 1474 CD PRO A 880 9.374 -6.822 -13.040 1.00 0.00 C ATOM 0 HA PRO A 880 9.552 -10.075 -12.937 1.00 0.00 H new ATOM 0 HB2 PRO A 880 11.925 -8.847 -13.696 1.00 0.00 H new ATOM 0 HB3 PRO A 880 10.527 -8.824 -14.754 1.00 0.00 H new ATOM 0 HG2 PRO A 880 11.514 -6.686 -12.874 1.00 0.00 H new ATOM 0 HG3 PRO A 880 10.913 -6.519 -14.512 1.00 0.00 H new ATOM 0 HD2 PRO A 880 9.342 -5.976 -12.354 1.00 0.00 H new ATOM 0 HD3 PRO A 880 8.666 -6.609 -13.841 1.00 0.00 H new ATOM 1482 N SER A 881 11.317 -10.744 -11.369 1.00 0.00 N ATOM 1483 CA SER A 881 12.149 -11.204 -10.263 1.00 0.00 C ATOM 1484 C SER A 881 13.565 -10.647 -10.381 1.00 0.00 C ATOM 1485 O SER A 881 14.432 -11.253 -11.010 1.00 0.00 O ATOM 1486 CB SER A 881 12.191 -12.733 -10.231 1.00 0.00 C ATOM 1487 OG SER A 881 12.711 -13.202 -8.999 1.00 0.00 O ATOM 0 H SER A 881 11.092 -11.464 -12.056 1.00 0.00 H new ATOM 0 HA SER A 881 11.710 -10.840 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 881 11.187 -13.131 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 881 12.806 -13.101 -11.053 1.00 0.00 H new ATOM 0 HG SER A 881 12.726 -14.182 -9.002 1.00 0.00 H new ATOM 1493 N SER A 882 13.791 -9.489 -9.769 1.00 0.00 N ATOM 1494 CA SER A 882 15.100 -8.847 -9.807 1.00 0.00 C ATOM 1495 C SER A 882 15.627 -8.604 -8.396 1.00 0.00 C ATOM 1496 O SER A 882 15.004 -7.902 -7.601 1.00 0.00 O ATOM 1497 CB SER A 882 15.020 -7.523 -10.570 1.00 0.00 C ATOM 1498 OG SER A 882 14.941 -7.744 -11.967 1.00 0.00 O ATOM 0 H SER A 882 13.085 -8.976 -9.241 1.00 0.00 H new ATOM 0 HA SER A 882 15.790 -9.514 -10.323 1.00 0.00 H new ATOM 0 HB2 SER A 882 14.148 -6.960 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 882 15.896 -6.916 -10.344 1.00 0.00 H new ATOM 0 HG SER A 882 14.889 -6.883 -12.432 1.00 0.00 H new ATOM 1504 N GLY A 883 16.781 -9.190 -8.093 1.00 0.00 N ATOM 1505 CA GLY A 883 17.374 -9.026 -6.778 1.00 0.00 C ATOM 1506 C GLY A 883 17.334 -7.588 -6.300 1.00 0.00 C ATOM 1507 O GLY A 883 17.483 -6.658 -7.094 1.00 0.00 O ATOM 0 H GLY A 883 17.316 -9.775 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 883 16.847 -9.658 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 883 18.408 -9.369 -6.804 1.00 0.00 H new TER 1511 GLY A 883