USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 836 SER OG : rot -160:sc= -0.51 USER MOD Single : A 840 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 842 CYS SG : rot -31:sc= 0.671 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 149:sc= 0.147! (180deg=-2.06!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.487 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.51! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -1.01 K(o=-1,f=-1.7) USER MOD Single : A 885 MET CE :methyl 136:sc= -16.1! (180deg=-24.6!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot -127:sc= -8.41! USER MOD Single : A 890 HIS : no HD1:sc= -17.7! C(o=-18!,f=-25!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 157:sc= -18.6! (180deg=-19.5!) USER MOD Single : A 898 ASN : amide:sc= -23.9! C(o=-24!,f=-33!) USER MOD Single : A 902 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.71) USER MOD Single : A 903 GLN : amide:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 905 SER OG : rot -151:sc= -3.03! USER MOD Single : A 912 CYS SG : rot 173:sc= -11.2! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -8.133 -3.841 10.931 1.00 0.00 N ATOM 2 CA GLY A 835 -8.467 -2.465 10.626 1.00 0.00 C ATOM 3 C GLY A 835 -9.758 -2.401 9.821 1.00 0.00 C ATOM 4 O GLY A 835 -10.548 -3.342 9.834 1.00 0.00 O ATOM 0 HA2 GLY A 835 -8.578 -1.897 11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -7.656 -2.003 10.063 1.00 0.00 H new ATOM 8 N SER A 836 -9.971 -1.285 9.120 1.00 0.00 N ATOM 9 CA SER A 836 -11.162 -1.105 8.315 1.00 0.00 C ATOM 10 C SER A 836 -11.138 -2.067 7.135 1.00 0.00 C ATOM 11 O SER A 836 -12.124 -2.188 6.411 1.00 0.00 O ATOM 12 CB SER A 836 -11.234 0.341 7.832 1.00 0.00 C ATOM 13 OG SER A 836 -10.001 0.706 7.255 1.00 0.00 O ATOM 0 H SER A 836 -9.326 -0.495 9.100 1.00 0.00 H new ATOM 0 HA SER A 836 -12.047 -1.319 8.915 1.00 0.00 H new ATOM 0 HB2 SER A 836 -12.036 0.452 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 836 -11.467 1.003 8.666 1.00 0.00 H new ATOM 0 HG SER A 836 -9.925 1.683 7.236 1.00 0.00 H new ATOM 19 N ALA A 837 -10.009 -2.752 6.945 1.00 0.00 N ATOM 20 CA ALA A 837 -9.862 -3.698 5.857 1.00 0.00 C ATOM 21 C ALA A 837 -11.180 -4.422 5.624 1.00 0.00 C ATOM 22 O ALA A 837 -11.850 -4.189 4.620 1.00 0.00 O ATOM 23 CB ALA A 837 -8.752 -4.689 6.193 1.00 0.00 C ATOM 0 H ALA A 837 -9.184 -2.663 7.538 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.594 -3.169 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.640 -5.401 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -7.815 -4.151 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.007 -5.224 7.108 1.00 0.00 H new ATOM 29 N ASP A 838 -11.552 -5.304 6.554 1.00 0.00 N ATOM 30 CA ASP A 838 -12.785 -6.058 6.444 1.00 0.00 C ATOM 31 C ASP A 838 -13.901 -5.149 5.950 1.00 0.00 C ATOM 32 O ASP A 838 -14.703 -5.549 5.109 1.00 0.00 O ATOM 33 CB ASP A 838 -13.136 -6.658 7.803 1.00 0.00 C ATOM 34 CG ASP A 838 -13.509 -8.127 7.668 1.00 0.00 C ATOM 35 OD1 ASP A 838 -14.612 -8.387 7.142 1.00 0.00 O ATOM 36 OD2 ASP A 838 -12.683 -8.963 8.094 1.00 0.00 O ATOM 0 H ASP A 838 -11.008 -5.508 7.393 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.659 -6.869 5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -12.288 -6.555 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.966 -6.107 8.245 1.00 0.00 H new ATOM 41 N GLU A 839 -13.953 -3.923 6.475 1.00 0.00 N ATOM 42 CA GLU A 839 -14.970 -2.968 6.083 1.00 0.00 C ATOM 43 C GLU A 839 -14.680 -2.446 4.683 1.00 0.00 C ATOM 44 O GLU A 839 -15.599 -2.103 3.942 1.00 0.00 O ATOM 45 CB GLU A 839 -15.005 -1.822 7.090 1.00 0.00 C ATOM 46 CG GLU A 839 -16.308 -1.882 7.883 1.00 0.00 C ATOM 47 CD GLU A 839 -17.218 -0.717 7.523 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.161 -0.296 6.347 1.00 0.00 O ATOM 49 OE2 GLU A 839 -17.953 -0.270 8.429 1.00 0.00 O ATOM 0 H GLU A 839 -13.297 -3.575 7.174 1.00 0.00 H new ATOM 0 HA GLU A 839 -15.945 -3.456 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.152 -1.891 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -14.925 -0.866 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.819 -2.823 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -16.090 -1.861 8.951 1.00 0.00 H new ATOM 56 N THR A 840 -13.397 -2.388 4.319 1.00 0.00 N ATOM 57 CA THR A 840 -12.997 -1.910 3.011 1.00 0.00 C ATOM 58 C THR A 840 -13.097 -3.038 1.994 1.00 0.00 C ATOM 59 O THR A 840 -13.782 -2.907 0.982 1.00 0.00 O ATOM 60 CB THR A 840 -11.571 -1.371 3.081 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.368 -0.741 4.327 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.353 -0.360 1.959 1.00 0.00 C ATOM 0 H THR A 840 -12.622 -2.669 4.920 1.00 0.00 H new ATOM 0 HA THR A 840 -13.661 -1.105 2.697 1.00 0.00 H new ATOM 0 HB THR A 840 -10.865 -2.194 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.452 -0.396 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.334 0.025 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.511 -0.846 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.058 0.464 2.069 1.00 0.00 H new ATOM 70 N LEU A 841 -12.410 -4.150 2.266 1.00 0.00 N ATOM 71 CA LEU A 841 -12.424 -5.295 1.377 1.00 0.00 C ATOM 72 C LEU A 841 -13.835 -5.855 1.278 1.00 0.00 C ATOM 73 O LEU A 841 -14.085 -6.785 0.514 1.00 0.00 O ATOM 74 CB LEU A 841 -11.458 -6.355 1.898 1.00 0.00 C ATOM 75 CG LEU A 841 -10.069 -6.109 1.314 1.00 0.00 C ATOM 76 CD1 LEU A 841 -9.559 -7.388 0.658 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.146 -4.997 0.272 1.00 0.00 C ATOM 0 H LEU A 841 -11.837 -4.274 3.101 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.105 -4.989 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -11.418 -6.322 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -11.809 -7.349 1.622 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.386 -5.813 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -8.567 -7.213 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.504 -8.182 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.241 -7.685 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.155 -4.820 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -10.828 -5.292 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.510 -4.083 0.741 1.00 0.00 H new ATOM 89 N CYS A 842 -14.760 -5.284 2.053 1.00 0.00 N ATOM 90 CA CYS A 842 -16.141 -5.722 2.052 1.00 0.00 C ATOM 91 C CYS A 842 -16.687 -5.685 0.632 1.00 0.00 C ATOM 92 O CYS A 842 -17.800 -6.143 0.382 1.00 0.00 O ATOM 93 CB CYS A 842 -16.961 -4.821 2.972 1.00 0.00 C ATOM 94 SG CYS A 842 -18.659 -5.444 3.033 1.00 0.00 S ATOM 0 H CYS A 842 -14.566 -4.512 2.691 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.205 -6.746 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.527 -4.808 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -16.948 -3.795 2.605 1.00 0.00 H new ATOM 0 HG CYS A 842 -18.959 -5.997 1.895 1.00 0.00 H new ATOM 100 N GLN A 843 -15.901 -5.139 -0.299 1.00 0.00 N ATOM 101 CA GLN A 843 -16.312 -5.046 -1.686 1.00 0.00 C ATOM 102 C GLN A 843 -15.330 -5.805 -2.567 1.00 0.00 C ATOM 103 O GLN A 843 -14.478 -5.201 -3.215 1.00 0.00 O ATOM 104 CB GLN A 843 -16.383 -3.578 -2.096 1.00 0.00 C ATOM 105 CG GLN A 843 -16.790 -2.732 -0.893 1.00 0.00 C ATOM 106 CD GLN A 843 -18.063 -1.951 -1.186 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.026 -0.731 -1.332 1.00 0.00 O ATOM 108 NE2 GLN A 843 -19.193 -2.658 -1.269 1.00 0.00 N ATOM 0 H GLN A 843 -14.975 -4.756 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.299 -5.493 -1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.416 -3.248 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -17.103 -3.450 -2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.944 -3.375 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.985 -2.042 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -19.172 -3.670 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -20.077 -2.186 -1.461 1.00 0.00 H new ATOM 117 N THR A 844 -15.450 -7.135 -2.591 1.00 0.00 N ATOM 118 CA THR A 844 -14.574 -7.964 -3.393 1.00 0.00 C ATOM 119 C THR A 844 -13.135 -7.806 -2.923 1.00 0.00 C ATOM 120 O THR A 844 -12.602 -8.678 -2.241 1.00 0.00 O ATOM 121 CB THR A 844 -14.708 -7.572 -4.862 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.156 -8.683 -5.606 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.351 -7.118 -5.394 1.00 0.00 C ATOM 0 H THR A 844 -16.150 -7.653 -2.060 1.00 0.00 H new ATOM 0 HA THR A 844 -14.858 -9.010 -3.281 1.00 0.00 H new ATOM 0 HB THR A 844 -15.426 -6.758 -4.956 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.244 -8.431 -6.549 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.447 -6.838 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.004 -6.259 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.632 -7.932 -5.300 1.00 0.00 H new ATOM 131 N LYS A 845 -12.506 -6.686 -3.289 1.00 0.00 N ATOM 132 CA LYS A 845 -11.135 -6.420 -2.903 1.00 0.00 C ATOM 133 C LYS A 845 -10.891 -4.919 -2.859 1.00 0.00 C ATOM 134 O LYS A 845 -9.779 -4.476 -2.579 1.00 0.00 O ATOM 135 CB LYS A 845 -10.189 -7.092 -3.894 1.00 0.00 C ATOM 136 CG LYS A 845 -10.221 -8.603 -3.683 1.00 0.00 C ATOM 137 CD LYS A 845 -9.441 -8.958 -2.420 1.00 0.00 C ATOM 138 CE LYS A 845 -10.415 -9.351 -1.313 1.00 0.00 C ATOM 139 NZ LYS A 845 -11.227 -10.511 -1.712 1.00 0.00 N ATOM 0 H LYS A 845 -12.934 -5.952 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 845 -10.949 -6.827 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -10.483 -6.850 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.175 -6.716 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -11.252 -8.947 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.788 -9.110 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -8.754 -9.780 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.837 -8.108 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -9.862 -9.585 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.067 -8.509 -1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -11.468 -11.072 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -12.101 -10.182 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -10.687 -11.100 -2.378 1.00 0.00 H new ATOM 153 N VAL A 846 -11.936 -4.135 -3.136 1.00 0.00 N ATOM 154 CA VAL A 846 -11.832 -2.690 -3.127 1.00 0.00 C ATOM 155 C VAL A 846 -10.441 -2.271 -3.581 1.00 0.00 C ATOM 156 O VAL A 846 -9.486 -3.032 -3.444 1.00 0.00 O ATOM 157 CB VAL A 846 -12.123 -2.168 -1.723 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.628 -2.184 -1.475 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.429 -3.059 -0.696 1.00 0.00 C ATOM 0 H VAL A 846 -12.864 -4.488 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.561 -2.265 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.751 -1.148 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.835 -1.811 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -14.124 -1.548 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.001 -3.204 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.636 -2.687 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -11.801 -4.079 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.353 -3.048 -0.872 1.00 0.00 H new ATOM 169 N LEU A 847 -10.328 -1.056 -4.123 1.00 0.00 N ATOM 170 CA LEU A 847 -9.057 -0.543 -4.593 1.00 0.00 C ATOM 171 C LEU A 847 -9.112 0.976 -4.676 1.00 0.00 C ATOM 172 O LEU A 847 -8.632 1.667 -3.780 1.00 0.00 O ATOM 173 CB LEU A 847 -8.738 -1.147 -5.957 1.00 0.00 C ATOM 174 CG LEU A 847 -9.057 -2.639 -5.939 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.134 -3.345 -4.950 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.509 -2.844 -5.516 1.00 0.00 C ATOM 0 H LEU A 847 -11.111 -0.413 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.268 -0.821 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.320 -0.649 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.687 -0.992 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.907 -3.054 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.362 -4.411 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.097 -3.199 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.283 -2.930 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.737 -3.910 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.660 -2.428 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.168 -2.340 -6.223 1.00 0.00 H new ATOM 188 N LEU A 848 -9.700 1.496 -5.756 1.00 0.00 N ATOM 189 CA LEU A 848 -9.815 2.927 -5.951 1.00 0.00 C ATOM 190 C LEU A 848 -8.443 3.522 -6.231 1.00 0.00 C ATOM 191 O LEU A 848 -7.427 2.852 -6.062 1.00 0.00 O ATOM 192 CB LEU A 848 -10.436 3.560 -4.709 1.00 0.00 C ATOM 193 CG LEU A 848 -11.957 3.510 -4.818 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.575 3.772 -3.448 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.431 4.576 -5.803 1.00 0.00 C ATOM 0 H LEU A 848 -10.103 0.937 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.458 3.131 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.107 3.030 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.102 4.593 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.264 2.526 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.662 3.736 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.237 3.011 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.269 4.756 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.518 4.541 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -12.124 5.560 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.990 4.389 -6.782 1.00 0.00 H new ATOM 207 N ASP A 849 -8.415 4.786 -6.659 1.00 0.00 N ATOM 208 CA ASP A 849 -7.170 5.464 -6.961 1.00 0.00 C ATOM 209 C ASP A 849 -6.556 6.008 -5.679 1.00 0.00 C ATOM 210 O ASP A 849 -6.221 7.187 -5.601 1.00 0.00 O ATOM 211 CB ASP A 849 -7.433 6.591 -7.955 1.00 0.00 C ATOM 212 CG ASP A 849 -8.017 6.047 -9.251 1.00 0.00 C ATOM 213 OD1 ASP A 849 -8.153 4.808 -9.336 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.316 6.882 -10.133 1.00 0.00 O ATOM 0 H ASP A 849 -9.249 5.356 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.467 4.761 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.121 7.314 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -6.504 7.121 -8.164 1.00 0.00 H new ATOM 219 N ILE A 850 -6.410 5.143 -4.671 1.00 0.00 N ATOM 220 CA ILE A 850 -5.837 5.538 -3.400 1.00 0.00 C ATOM 221 C ILE A 850 -4.341 5.771 -3.559 1.00 0.00 C ATOM 222 O ILE A 850 -3.914 6.878 -3.880 1.00 0.00 O ATOM 223 CB ILE A 850 -6.109 4.453 -2.362 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.209 3.526 -2.870 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.555 5.102 -1.054 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.573 4.117 -2.525 1.00 0.00 C ATOM 0 H ILE A 850 -6.685 4.162 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.295 6.468 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.199 3.877 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.120 3.395 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.104 2.539 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.750 4.328 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.770 5.764 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.465 5.678 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.359 3.455 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.660 4.225 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.676 5.094 -2.996 1.00 0.00 H new ATOM 238 N PHE A 851 -3.544 4.724 -3.334 1.00 0.00 N ATOM 239 CA PHE A 851 -2.103 4.822 -3.454 1.00 0.00 C ATOM 240 C PHE A 851 -1.733 5.304 -4.850 1.00 0.00 C ATOM 241 O PHE A 851 -0.581 5.190 -5.263 1.00 0.00 O ATOM 242 CB PHE A 851 -1.476 3.460 -3.167 1.00 0.00 C ATOM 243 CG PHE A 851 -2.110 2.739 -2.002 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.164 3.352 -0.744 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.645 1.457 -2.179 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.753 2.684 0.336 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.234 0.789 -1.099 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.288 1.402 0.158 1.00 0.00 C ATOM 0 H PHE A 851 -3.882 3.799 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.722 5.542 -2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.557 2.837 -4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.413 3.593 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.751 4.340 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.603 0.984 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.795 3.157 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.647 -0.200 -1.236 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.742 0.886 0.991 1.00 0.00 H new ATOM 258 N THR A 852 -2.714 5.843 -5.577 1.00 0.00 N ATOM 259 CA THR A 852 -2.482 6.338 -6.919 1.00 0.00 C ATOM 260 C THR A 852 -1.033 6.781 -7.066 1.00 0.00 C ATOM 261 O THR A 852 -0.641 7.817 -6.533 1.00 0.00 O ATOM 262 CB THR A 852 -3.433 7.497 -7.204 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.883 7.418 -8.538 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.701 8.820 -6.992 1.00 0.00 C ATOM 0 H THR A 852 -3.675 5.944 -5.251 1.00 0.00 H new ATOM 0 HA THR A 852 -2.671 5.543 -7.640 1.00 0.00 H new ATOM 0 HB THR A 852 -4.286 7.441 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.495 8.161 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.380 9.648 -7.195 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.352 8.882 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.848 8.876 -7.668 1.00 0.00 H new ATOM 272 N GLY A 853 -0.237 5.993 -7.792 1.00 0.00 N ATOM 273 CA GLY A 853 1.162 6.310 -8.002 1.00 0.00 C ATOM 274 C GLY A 853 1.896 6.365 -6.670 1.00 0.00 C ATOM 275 O GLY A 853 2.555 7.356 -6.362 1.00 0.00 O ATOM 0 H GLY A 853 -0.546 5.131 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.619 5.559 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.252 7.268 -8.515 1.00 0.00 H new ATOM 279 N VAL A 854 1.780 5.296 -5.879 1.00 0.00 N ATOM 280 CA VAL A 854 2.431 5.226 -4.586 1.00 0.00 C ATOM 281 C VAL A 854 3.360 4.022 -4.541 1.00 0.00 C ATOM 282 O VAL A 854 2.901 2.881 -4.548 1.00 0.00 O ATOM 283 CB VAL A 854 1.374 5.136 -3.489 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.967 4.441 -2.267 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.919 6.541 -3.105 1.00 0.00 C ATOM 0 H VAL A 854 1.237 4.467 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 854 3.026 6.125 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 854 0.520 4.564 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.212 4.377 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.292 3.437 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.821 5.012 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.164 6.477 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.772 7.113 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.495 7.037 -3.978 1.00 0.00 H new ATOM 295 N ARG A 855 4.670 4.277 -4.495 1.00 0.00 N ATOM 296 CA ARG A 855 5.655 3.215 -4.450 1.00 0.00 C ATOM 297 C ARG A 855 5.760 2.669 -3.034 1.00 0.00 C ATOM 298 O ARG A 855 6.827 2.718 -2.425 1.00 0.00 O ATOM 299 CB ARG A 855 7.002 3.752 -4.924 1.00 0.00 C ATOM 300 CG ARG A 855 6.928 4.068 -6.415 1.00 0.00 C ATOM 301 CD ARG A 855 8.328 4.370 -6.942 1.00 0.00 C ATOM 302 NE ARG A 855 8.719 5.746 -6.637 1.00 0.00 N ATOM 303 CZ ARG A 855 8.272 6.799 -7.335 1.00 0.00 C ATOM 304 NH1 ARG A 855 7.430 6.614 -8.361 1.00 0.00 N ATOM 305 NH2 ARG A 855 8.667 8.037 -7.008 1.00 0.00 N ATOM 0 H ARG A 855 5.066 5.217 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 855 5.350 2.402 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 855 7.265 4.649 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 855 7.785 3.017 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.499 3.224 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 855 6.272 4.922 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 855 9.044 3.678 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.357 4.211 -8.020 1.00 0.00 H new ATOM 0 HE ARG A 855 9.359 5.911 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 855 7.129 5.672 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 855 7.090 7.415 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 855 9.308 8.178 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 855 8.326 8.838 -7.540 1.00 0.00 H new ATOM 319 N LEU A 856 4.649 2.147 -2.509 1.00 0.00 N ATOM 320 CA LEU A 856 4.622 1.595 -1.169 1.00 0.00 C ATOM 321 C LEU A 856 5.156 0.169 -1.187 1.00 0.00 C ATOM 322 O LEU A 856 4.601 -0.695 -1.862 1.00 0.00 O ATOM 323 CB LEU A 856 3.193 1.630 -0.634 1.00 0.00 C ATOM 324 CG LEU A 856 3.105 0.788 0.635 1.00 0.00 C ATOM 325 CD1 LEU A 856 2.473 -0.562 0.308 1.00 0.00 C ATOM 326 CD2 LEU A 856 4.506 0.570 1.200 1.00 0.00 C ATOM 0 H LEU A 856 3.757 2.099 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 856 5.257 2.191 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 856 2.897 2.658 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.502 1.248 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 856 2.492 1.307 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 856 2.410 -1.164 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 856 1.472 -0.407 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 856 3.085 -1.081 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 856 4.443 -0.032 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 856 5.119 0.052 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 856 4.958 1.534 1.435 1.00 0.00 H new ATOM 338 N TYR A 857 6.236 -0.075 -0.442 1.00 0.00 N ATOM 339 CA TYR A 857 6.838 -1.391 -0.378 1.00 0.00 C ATOM 340 C TYR A 857 6.043 -2.277 0.571 1.00 0.00 C ATOM 341 O TYR A 857 6.126 -2.118 1.787 1.00 0.00 O ATOM 342 CB TYR A 857 8.286 -1.265 0.085 1.00 0.00 C ATOM 343 CG TYR A 857 8.721 -2.374 1.014 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.352 -3.697 0.745 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.493 -2.077 2.144 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.755 -4.725 1.606 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.896 -3.105 3.005 1.00 0.00 C ATOM 348 CZ TYR A 857 9.527 -4.429 2.736 1.00 0.00 C ATOM 349 OH TYR A 857 9.920 -5.430 3.575 1.00 0.00 O ATOM 0 H TYR A 857 6.707 0.631 0.125 1.00 0.00 H new ATOM 0 HA TYR A 857 6.825 -1.849 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.939 -1.256 -0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.416 -0.308 0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.756 -3.925 -0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.777 -1.056 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.470 -5.746 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.491 -2.877 3.877 1.00 0.00 H new ATOM 0 HH TYR A 857 10.450 -5.053 4.308 1.00 0.00 H new ATOM 359 N LEU A 858 5.271 -3.212 0.013 1.00 0.00 N ATOM 360 CA LEU A 858 4.467 -4.116 0.810 1.00 0.00 C ATOM 361 C LEU A 858 5.293 -5.333 1.202 1.00 0.00 C ATOM 362 O LEU A 858 5.633 -6.155 0.353 1.00 0.00 O ATOM 363 CB LEU A 858 3.233 -4.534 0.015 1.00 0.00 C ATOM 364 CG LEU A 858 2.288 -5.320 0.920 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.668 -5.086 2.379 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.854 -4.852 0.686 1.00 0.00 C ATOM 0 H LEU A 858 5.192 -3.356 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 858 4.143 -3.613 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.727 -3.654 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.527 -5.144 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 858 2.366 -6.383 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.993 -5.647 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.692 -5.420 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.591 -4.023 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.178 -5.413 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.776 -3.789 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.582 -5.019 -0.356 1.00 0.00 H new ATOM 378 N PRO A 859 5.615 -5.448 2.492 1.00 0.00 N ATOM 379 CA PRO A 859 6.392 -6.536 3.046 1.00 0.00 C ATOM 380 C PRO A 859 5.549 -7.803 3.071 1.00 0.00 C ATOM 381 O PRO A 859 4.332 -7.738 3.234 1.00 0.00 O ATOM 382 CB PRO A 859 6.744 -6.084 4.462 1.00 0.00 C ATOM 383 CG PRO A 859 5.562 -5.193 4.837 1.00 0.00 C ATOM 384 CD PRO A 859 5.232 -4.500 3.516 1.00 0.00 C ATOM 0 HA PRO A 859 7.286 -6.760 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.845 -6.929 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.687 -5.538 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.719 -5.774 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.826 -4.477 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.172 -4.256 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.781 -3.564 3.413 1.00 0.00 H new ATOM 392 N PRO A 860 6.199 -8.958 2.908 1.00 0.00 N ATOM 393 CA PRO A 860 5.564 -10.258 2.904 1.00 0.00 C ATOM 394 C PRO A 860 5.132 -10.619 4.318 1.00 0.00 C ATOM 395 O PRO A 860 4.264 -11.469 4.506 1.00 0.00 O ATOM 396 CB PRO A 860 6.639 -11.217 2.398 1.00 0.00 C ATOM 397 CG PRO A 860 7.932 -10.558 2.874 1.00 0.00 C ATOM 398 CD PRO A 860 7.628 -9.070 2.714 1.00 0.00 C ATOM 0 HA PRO A 860 4.671 -10.293 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.518 -12.217 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.612 -11.318 1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.161 -10.816 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.788 -10.864 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.174 -8.475 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.922 -8.711 1.728 1.00 0.00 H new ATOM 406 N SER A 861 5.741 -9.972 5.314 1.00 0.00 N ATOM 407 CA SER A 861 5.417 -10.229 6.703 1.00 0.00 C ATOM 408 C SER A 861 4.179 -9.438 7.099 1.00 0.00 C ATOM 409 O SER A 861 3.563 -9.717 8.126 1.00 0.00 O ATOM 410 CB SER A 861 6.606 -9.849 7.581 1.00 0.00 C ATOM 411 OG SER A 861 7.093 -10.999 8.235 1.00 0.00 O ATOM 0 H SER A 861 6.463 -9.265 5.175 1.00 0.00 H new ATOM 0 HA SER A 861 5.205 -11.289 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.393 -9.403 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.306 -9.100 8.314 1.00 0.00 H new ATOM 0 HG SER A 861 7.858 -10.756 8.798 1.00 0.00 H new ATOM 417 N THR A 862 3.812 -8.449 6.281 1.00 0.00 N ATOM 418 CA THR A 862 2.650 -7.627 6.552 1.00 0.00 C ATOM 419 C THR A 862 1.385 -8.467 6.448 1.00 0.00 C ATOM 420 O THR A 862 1.266 -9.307 5.558 1.00 0.00 O ATOM 421 CB THR A 862 2.609 -6.464 5.566 1.00 0.00 C ATOM 422 OG1 THR A 862 3.006 -5.279 6.220 1.00 0.00 O ATOM 423 CG2 THR A 862 1.189 -6.298 5.032 1.00 0.00 C ATOM 0 H THR A 862 4.310 -8.204 5.425 1.00 0.00 H new ATOM 0 HA THR A 862 2.713 -7.227 7.564 1.00 0.00 H new ATOM 0 HB THR A 862 3.287 -6.667 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.212 -4.758 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.160 -5.467 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.881 -7.213 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.510 -6.095 5.860 1.00 0.00 H new ATOM 431 N PRO A 863 0.438 -8.238 7.360 1.00 0.00 N ATOM 432 CA PRO A 863 -0.827 -8.937 7.416 1.00 0.00 C ATOM 433 C PRO A 863 -1.718 -8.472 6.273 1.00 0.00 C ATOM 434 O PRO A 863 -1.662 -7.312 5.872 1.00 0.00 O ATOM 435 CB PRO A 863 -1.427 -8.554 8.767 1.00 0.00 C ATOM 436 CG PRO A 863 -0.862 -7.154 9.004 1.00 0.00 C ATOM 437 CD PRO A 863 0.545 -7.258 8.420 1.00 0.00 C ATOM 0 HA PRO A 863 -0.719 -10.017 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.517 -8.551 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.130 -9.248 9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.453 -6.388 8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -0.843 -6.899 10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.885 -6.296 8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.264 -7.572 9.177 1.00 0.00 H new ATOM 445 N ASP A 864 -2.540 -9.383 5.746 1.00 0.00 N ATOM 446 CA ASP A 864 -3.434 -9.063 4.652 1.00 0.00 C ATOM 447 C ASP A 864 -2.638 -8.908 3.364 1.00 0.00 C ATOM 448 O ASP A 864 -3.177 -8.481 2.346 1.00 0.00 O ATOM 449 CB ASP A 864 -4.194 -7.780 4.975 1.00 0.00 C ATOM 450 CG ASP A 864 -5.693 -8.037 5.044 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.192 -8.728 4.130 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.310 -7.540 6.010 1.00 0.00 O ATOM 0 H ASP A 864 -2.598 -10.349 6.067 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.153 -9.871 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -3.846 -7.377 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -3.985 -7.028 4.214 1.00 0.00 H new ATOM 457 N PHE A 865 -1.350 -9.257 3.411 1.00 0.00 N ATOM 458 CA PHE A 865 -0.489 -9.155 2.249 1.00 0.00 C ATOM 459 C PHE A 865 -1.235 -9.629 1.010 1.00 0.00 C ATOM 460 O PHE A 865 -1.235 -8.952 -0.015 1.00 0.00 O ATOM 461 CB PHE A 865 0.769 -9.987 2.475 1.00 0.00 C ATOM 462 CG PHE A 865 1.911 -9.615 1.560 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.402 -8.304 1.551 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.476 -10.580 0.717 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.459 -7.958 0.701 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.533 -10.234 -0.133 1.00 0.00 C ATOM 467 CZ PHE A 865 4.024 -8.923 -0.141 1.00 0.00 C ATOM 0 H PHE A 865 -0.887 -9.613 4.248 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.198 -8.115 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.091 -9.871 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.528 -11.041 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.965 -7.559 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 865 2.096 -11.591 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.838 -6.947 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.970 -10.978 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.839 -8.656 -0.797 1.00 0.00 H new ATOM 477 N SER A 866 -1.873 -10.798 1.107 1.00 0.00 N ATOM 478 CA SER A 866 -2.619 -11.355 -0.004 1.00 0.00 C ATOM 479 C SER A 866 -3.091 -10.236 -0.922 1.00 0.00 C ATOM 480 O SER A 866 -2.508 -10.011 -1.980 1.00 0.00 O ATOM 481 CB SER A 866 -3.806 -12.152 0.530 1.00 0.00 C ATOM 482 OG SER A 866 -4.703 -12.421 -0.524 1.00 0.00 O ATOM 0 H SER A 866 -1.883 -11.372 1.950 1.00 0.00 H new ATOM 0 HA SER A 866 -1.978 -12.023 -0.579 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.461 -13.085 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.310 -11.591 1.317 1.00 0.00 H new ATOM 0 HG SER A 866 -5.465 -12.934 -0.182 1.00 0.00 H new ATOM 488 N ARG A 867 -4.149 -9.533 -0.513 1.00 0.00 N ATOM 489 CA ARG A 867 -4.693 -8.443 -1.298 1.00 0.00 C ATOM 490 C ARG A 867 -3.782 -7.228 -1.194 1.00 0.00 C ATOM 491 O ARG A 867 -3.566 -6.526 -2.179 1.00 0.00 O ATOM 492 CB ARG A 867 -6.097 -8.110 -0.801 1.00 0.00 C ATOM 493 CG ARG A 867 -6.873 -9.403 -0.567 1.00 0.00 C ATOM 494 CD ARG A 867 -6.923 -9.703 0.929 1.00 0.00 C ATOM 495 NE ARG A 867 -8.205 -10.300 1.303 1.00 0.00 N ATOM 496 CZ ARG A 867 -8.491 -10.680 2.555 1.00 0.00 C ATOM 497 NH1 ARG A 867 -7.584 -10.516 3.529 1.00 0.00 N ATOM 498 NH2 ARG A 867 -9.683 -11.223 2.835 1.00 0.00 N ATOM 0 H ARG A 867 -4.642 -9.707 0.363 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.753 -8.739 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.040 -7.535 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.615 -7.489 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.884 -9.310 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.396 -10.227 -1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -6.111 -10.380 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -6.768 -8.783 1.493 1.00 0.00 H new ATOM 0 HE ARG A 867 -8.911 -10.433 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.676 -10.102 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.802 -10.805 4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -10.373 -11.347 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -9.900 -11.512 3.789 1.00 0.00 H new ATOM 512 N LEU A 868 -3.248 -6.981 0.004 1.00 0.00 N ATOM 513 CA LEU A 868 -2.364 -5.855 0.231 1.00 0.00 C ATOM 514 C LEU A 868 -1.535 -5.589 -1.018 1.00 0.00 C ATOM 515 O LEU A 868 -1.484 -4.461 -1.503 1.00 0.00 O ATOM 516 CB LEU A 868 -1.462 -6.149 1.426 1.00 0.00 C ATOM 517 CG LEU A 868 -1.984 -5.405 2.652 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.865 -4.553 3.244 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.148 -4.506 2.244 1.00 0.00 C ATOM 0 H LEU A 868 -3.419 -7.554 0.831 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.953 -4.964 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.437 -7.221 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.439 -5.841 1.208 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.325 -6.124 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.237 -4.021 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.034 -5.195 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.524 -3.833 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.521 -3.974 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.808 -3.786 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.947 -5.115 1.821 1.00 0.00 H new ATOM 531 N ARG A 869 -0.886 -6.633 -1.538 1.00 0.00 N ATOM 532 CA ARG A 869 -0.063 -6.509 -2.724 1.00 0.00 C ATOM 533 C ARG A 869 -0.936 -6.161 -3.922 1.00 0.00 C ATOM 534 O ARG A 869 -1.127 -4.987 -4.233 1.00 0.00 O ATOM 535 CB ARG A 869 0.685 -7.817 -2.962 1.00 0.00 C ATOM 536 CG ARG A 869 1.696 -7.626 -4.090 1.00 0.00 C ATOM 537 CD ARG A 869 2.945 -8.453 -3.798 1.00 0.00 C ATOM 538 NE ARG A 869 2.772 -9.839 -4.233 1.00 0.00 N ATOM 539 CZ ARG A 869 2.359 -10.811 -3.408 1.00 0.00 C ATOM 540 NH1 ARG A 869 2.085 -10.532 -2.127 1.00 0.00 N ATOM 541 NH2 ARG A 869 2.220 -12.063 -3.865 1.00 0.00 N ATOM 0 H ARG A 869 -0.920 -7.575 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 869 0.665 -5.710 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.195 -8.128 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.018 -8.609 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.259 -7.931 -5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.958 -6.572 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.803 -8.013 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.160 -8.428 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 869 2.974 -10.075 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 869 2.191 -9.579 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 869 1.771 -11.272 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 869 2.429 -12.276 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 869 1.906 -12.803 -3.237 1.00 0.00 H new ATOM 555 N ARG A 870 -1.465 -7.186 -4.594 1.00 0.00 N ATOM 556 CA ARG A 870 -2.311 -6.984 -5.753 1.00 0.00 C ATOM 557 C ARG A 870 -3.136 -5.717 -5.575 1.00 0.00 C ATOM 558 O ARG A 870 -3.076 -4.814 -6.407 1.00 0.00 O ATOM 559 CB ARG A 870 -3.219 -8.198 -5.935 1.00 0.00 C ATOM 560 CG ARG A 870 -4.239 -7.909 -7.033 1.00 0.00 C ATOM 561 CD ARG A 870 -3.518 -7.743 -8.367 1.00 0.00 C ATOM 562 NE ARG A 870 -4.038 -8.678 -9.365 1.00 0.00 N ATOM 563 CZ ARG A 870 -3.524 -8.783 -10.598 1.00 0.00 C ATOM 564 NH1 ARG A 870 -2.489 -8.013 -10.961 1.00 0.00 N ATOM 565 NH2 ARG A 870 -4.045 -9.658 -11.469 1.00 0.00 N ATOM 0 H ARG A 870 -1.317 -8.165 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.694 -6.870 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.625 -9.074 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.730 -8.427 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.961 -8.723 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -4.799 -7.004 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -3.638 -6.720 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -2.450 -7.909 -8.230 1.00 0.00 H new ATOM 0 HE ARG A 870 -4.825 -9.275 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.092 -7.347 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -2.098 -8.093 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -4.833 -10.244 -11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -3.654 -9.738 -12.408 1.00 0.00 H new ATOM 579 N TYR A 871 -3.907 -5.651 -4.487 1.00 0.00 N ATOM 580 CA TYR A 871 -4.737 -4.497 -4.210 1.00 0.00 C ATOM 581 C TYR A 871 -3.960 -3.221 -4.498 1.00 0.00 C ATOM 582 O TYR A 871 -4.337 -2.447 -5.376 1.00 0.00 O ATOM 583 CB TYR A 871 -5.190 -4.537 -2.753 1.00 0.00 C ATOM 584 CG TYR A 871 -6.276 -3.539 -2.432 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.386 -3.416 -3.276 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.173 -2.736 -1.290 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.393 -2.490 -2.978 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.181 -1.810 -0.992 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.291 -1.687 -1.836 1.00 0.00 C ATOM 590 OH TYR A 871 -9.272 -0.786 -1.546 1.00 0.00 O ATOM 0 H TYR A 871 -3.967 -6.390 -3.787 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.618 -4.514 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.549 -5.540 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.332 -4.348 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.466 -4.035 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.317 -2.830 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.249 -2.395 -3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.102 -1.191 -0.111 1.00 0.00 H new ATOM 600 N PHE A 872 -2.872 -3.001 -3.756 1.00 0.00 N ATOM 601 CA PHE A 872 -2.051 -1.821 -3.938 1.00 0.00 C ATOM 602 C PHE A 872 -1.667 -1.679 -5.404 1.00 0.00 C ATOM 603 O PHE A 872 -2.390 -1.059 -6.180 1.00 0.00 O ATOM 604 CB PHE A 872 -0.807 -1.929 -3.060 1.00 0.00 C ATOM 605 CG PHE A 872 -0.082 -0.617 -2.878 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.353 0.103 -3.997 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.153 -0.120 -1.591 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.024 1.321 -3.828 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.823 1.097 -1.422 1.00 0.00 C ATOM 610 CZ PHE A 872 1.259 1.818 -2.541 1.00 0.00 C ATOM 0 H PHE A 872 -2.546 -3.632 -3.024 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.612 -0.934 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.095 -2.315 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.123 -2.655 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.171 -0.280 -4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.183 -0.676 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.360 1.877 -4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 872 1.004 1.480 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.776 2.757 -2.411 1.00 0.00 H new ATOM 620 N VAL A 873 -0.524 -2.258 -5.782 1.00 0.00 N ATOM 621 CA VAL A 873 -0.051 -2.194 -7.150 1.00 0.00 C ATOM 622 C VAL A 873 -1.235 -2.186 -8.105 1.00 0.00 C ATOM 623 O VAL A 873 -1.175 -1.570 -9.167 1.00 0.00 O ATOM 624 CB VAL A 873 0.861 -3.385 -7.428 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.276 -4.636 -6.779 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.973 -3.599 -8.935 1.00 0.00 C ATOM 0 H VAL A 873 0.087 -2.776 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 873 0.517 -1.276 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 873 1.850 -3.190 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.927 -5.487 -6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.195 -4.484 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.713 -4.832 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.625 -4.450 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.016 -3.795 -9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 873 1.391 -2.706 -9.399 1.00 0.00 H new ATOM 636 N ALA A 874 -2.315 -2.873 -7.725 1.00 0.00 N ATOM 637 CA ALA A 874 -3.506 -2.942 -8.548 1.00 0.00 C ATOM 638 C ALA A 874 -4.073 -1.545 -8.752 1.00 0.00 C ATOM 639 O ALA A 874 -4.288 -1.119 -9.885 1.00 0.00 O ATOM 640 CB ALA A 874 -4.533 -3.851 -7.879 1.00 0.00 C ATOM 0 H ALA A 874 -2.381 -3.389 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.255 -3.356 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.429 -3.904 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.113 -4.850 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.791 -3.449 -6.899 1.00 0.00 H new ATOM 646 N PHE A 875 -4.317 -0.830 -7.651 1.00 0.00 N ATOM 647 CA PHE A 875 -4.858 0.513 -7.717 1.00 0.00 C ATOM 648 C PHE A 875 -4.238 1.262 -8.889 1.00 0.00 C ATOM 649 O PHE A 875 -4.942 1.928 -9.644 1.00 0.00 O ATOM 650 CB PHE A 875 -4.579 1.237 -6.403 1.00 0.00 C ATOM 651 CG PHE A 875 -5.157 0.539 -5.195 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.796 -0.698 -5.341 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.051 1.128 -3.930 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.330 -1.346 -4.221 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.585 0.480 -2.809 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.225 -0.757 -2.955 1.00 0.00 C ATOM 0 H PHE A 875 -4.145 -1.168 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 875 -5.936 0.469 -7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.501 1.336 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -4.988 2.246 -6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.877 -1.152 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.557 2.082 -3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.823 -2.300 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.503 0.934 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.638 -1.257 -2.091 1.00 0.00 H new ATOM 666 N ASP A 876 -2.916 1.151 -9.038 1.00 0.00 N ATOM 667 CA ASP A 876 -2.211 1.817 -10.114 1.00 0.00 C ATOM 668 C ASP A 876 -0.860 2.312 -9.616 1.00 0.00 C ATOM 669 O ASP A 876 -0.146 3.005 -10.337 1.00 0.00 O ATOM 670 CB ASP A 876 -3.055 2.978 -10.633 1.00 0.00 C ATOM 671 CG ASP A 876 -3.957 2.527 -11.772 1.00 0.00 C ATOM 672 OD1 ASP A 876 -4.166 1.300 -11.880 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.422 3.419 -12.515 1.00 0.00 O ATOM 0 H ASP A 876 -2.318 0.602 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.040 1.116 -10.931 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.661 3.383 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.403 3.782 -10.976 1.00 0.00 H new ATOM 678 N GLY A 877 -0.511 1.956 -8.378 1.00 0.00 N ATOM 679 CA GLY A 877 0.751 2.368 -7.795 1.00 0.00 C ATOM 680 C GLY A 877 1.874 1.456 -8.269 1.00 0.00 C ATOM 681 O GLY A 877 1.936 1.103 -9.445 1.00 0.00 O ATOM 0 H GLY A 877 -1.091 1.382 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 877 0.969 3.399 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.684 2.339 -6.707 1.00 0.00 H new ATOM 685 N ASP A 878 2.763 1.074 -7.350 1.00 0.00 N ATOM 686 CA ASP A 878 3.877 0.208 -7.677 1.00 0.00 C ATOM 687 C ASP A 878 4.334 -0.538 -6.431 1.00 0.00 C ATOM 688 O ASP A 878 4.289 0.006 -5.330 1.00 0.00 O ATOM 689 CB ASP A 878 5.016 1.042 -8.256 1.00 0.00 C ATOM 690 CG ASP A 878 4.930 1.101 -9.774 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.156 0.292 -10.331 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.639 1.954 -10.350 1.00 0.00 O ATOM 0 H ASP A 878 2.725 1.357 -6.371 1.00 0.00 H new ATOM 0 HA ASP A 878 3.566 -0.525 -8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.977 2.051 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.973 0.614 -7.959 1.00 0.00 H new ATOM 697 N LEU A 879 4.774 -1.786 -6.607 1.00 0.00 N ATOM 698 CA LEU A 879 5.235 -2.598 -5.499 1.00 0.00 C ATOM 699 C LEU A 879 6.673 -3.035 -5.742 1.00 0.00 C ATOM 700 O LEU A 879 6.965 -3.690 -6.740 1.00 0.00 O ATOM 701 CB LEU A 879 4.321 -3.810 -5.342 1.00 0.00 C ATOM 702 CG LEU A 879 3.008 -3.376 -4.697 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.986 -3.820 -3.238 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.884 -1.856 -4.768 1.00 0.00 C ATOM 0 H LEU A 879 4.817 -2.250 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 879 5.204 -2.015 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.129 -4.262 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.807 -4.568 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 879 2.174 -3.834 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 879 2.048 -3.510 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 879 3.074 -4.905 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 879 3.820 -3.363 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.946 -1.546 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.718 -1.398 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 879 2.899 -1.538 -5.810 1.00 0.00 H new ATOM 716 N VAL A 880 7.572 -2.670 -4.825 1.00 0.00 N ATOM 717 CA VAL A 880 8.972 -3.025 -4.943 1.00 0.00 C ATOM 718 C VAL A 880 9.357 -3.980 -3.822 1.00 0.00 C ATOM 719 O VAL A 880 8.973 -3.777 -2.672 1.00 0.00 O ATOM 720 CB VAL A 880 9.823 -1.760 -4.892 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.775 -1.739 -6.084 1.00 0.00 C ATOM 722 CG2 VAL A 880 8.915 -0.534 -4.945 1.00 0.00 C ATOM 0 H VAL A 880 7.345 -2.126 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 880 9.146 -3.525 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 880 10.399 -1.747 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.383 -0.835 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.423 -2.614 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.199 -1.752 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.522 0.370 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.339 -0.547 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.234 -0.548 -4.094 1.00 0.00 H new ATOM 732 N GLN A 881 10.119 -5.023 -4.159 1.00 0.00 N ATOM 733 CA GLN A 881 10.551 -6.001 -3.181 1.00 0.00 C ATOM 734 C GLN A 881 11.527 -5.360 -2.204 1.00 0.00 C ATOM 735 O GLN A 881 12.458 -4.672 -2.616 1.00 0.00 O ATOM 736 CB GLN A 881 11.200 -7.182 -3.897 1.00 0.00 C ATOM 737 CG GLN A 881 10.295 -7.648 -5.034 1.00 0.00 C ATOM 738 CD GLN A 881 11.098 -7.885 -6.305 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.866 -8.841 -6.387 1.00 0.00 O ATOM 740 NE2 GLN A 881 10.919 -7.010 -7.297 1.00 0.00 N ATOM 0 H GLN A 881 10.446 -5.205 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 881 9.690 -6.362 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.175 -6.892 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.369 -7.998 -3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.785 -8.567 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.524 -6.900 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.270 -6.232 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.432 -7.119 -8.172 1.00 0.00 H new ATOM 749 N GLU A 882 11.313 -5.588 -0.906 1.00 0.00 N ATOM 750 CA GLU A 882 12.175 -5.033 0.117 1.00 0.00 C ATOM 751 C GLU A 882 13.566 -4.788 -0.451 1.00 0.00 C ATOM 752 O GLU A 882 13.978 -3.642 -0.618 1.00 0.00 O ATOM 753 CB GLU A 882 12.237 -5.991 1.303 1.00 0.00 C ATOM 754 CG GLU A 882 13.188 -5.435 2.358 1.00 0.00 C ATOM 755 CD GLU A 882 14.084 -6.532 2.916 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.347 -7.490 2.157 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.488 -6.392 4.090 1.00 0.00 O ATOM 0 H GLU A 882 10.546 -6.156 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 882 11.772 -4.079 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.242 -6.124 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.577 -6.973 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.801 -4.647 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.615 -4.982 3.167 1.00 0.00 H new ATOM 764 N PHE A 883 14.289 -5.869 -0.751 1.00 0.00 N ATOM 765 CA PHE A 883 15.626 -5.765 -1.299 1.00 0.00 C ATOM 766 C PHE A 883 15.567 -5.152 -2.691 1.00 0.00 C ATOM 767 O PHE A 883 16.554 -5.172 -3.423 1.00 0.00 O ATOM 768 CB PHE A 883 16.265 -7.150 -1.345 1.00 0.00 C ATOM 769 CG PHE A 883 15.674 -8.052 -2.402 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.575 -8.863 -2.095 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.224 -8.076 -3.689 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.026 -9.698 -3.076 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.676 -8.911 -4.669 1.00 0.00 C ATOM 774 CZ PHE A 883 14.576 -9.722 -4.363 1.00 0.00 C ATOM 0 H PHE A 883 13.962 -6.826 -0.620 1.00 0.00 H new ATOM 0 HA PHE A 883 16.234 -5.119 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.334 -7.042 -1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.154 -7.625 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.151 -8.845 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.072 -7.450 -3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.178 -10.324 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.101 -8.930 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.152 -10.366 -5.120 1.00 0.00 H new ATOM 784 N ASP A 884 14.405 -4.605 -3.056 1.00 0.00 N ATOM 785 CA ASP A 884 14.223 -3.991 -4.356 1.00 0.00 C ATOM 786 C ASP A 884 13.408 -2.714 -4.213 1.00 0.00 C ATOM 787 O ASP A 884 12.194 -2.726 -4.402 1.00 0.00 O ATOM 788 CB ASP A 884 13.526 -4.976 -5.290 1.00 0.00 C ATOM 789 CG ASP A 884 14.408 -6.186 -5.561 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.645 -6.009 -5.515 1.00 0.00 O ATOM 791 OD2 ASP A 884 13.830 -7.266 -5.808 1.00 0.00 O ATOM 0 H ASP A 884 13.578 -4.579 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 884 15.193 -3.734 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.584 -5.300 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.282 -4.481 -6.230 1.00 0.00 H new ATOM 796 N MET A 885 14.079 -1.609 -3.877 1.00 0.00 N ATOM 797 CA MET A 885 13.412 -0.334 -3.709 1.00 0.00 C ATOM 798 C MET A 885 14.267 0.780 -4.296 1.00 0.00 C ATOM 799 O MET A 885 13.742 1.747 -4.842 1.00 0.00 O ATOM 800 CB MET A 885 13.151 -0.089 -2.226 1.00 0.00 C ATOM 801 CG MET A 885 14.198 -0.826 -1.396 1.00 0.00 C ATOM 802 SD MET A 885 13.754 -1.016 0.348 1.00 0.00 S ATOM 803 CE MET A 885 12.310 -2.092 0.164 1.00 0.00 C ATOM 0 H MET A 885 15.086 -1.581 -3.718 1.00 0.00 H new ATOM 0 HA MET A 885 12.458 -0.348 -4.236 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.187 0.979 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.152 -0.434 -1.960 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.361 -1.813 -1.829 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.144 -0.289 -1.463 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.354 -2.890 0.906 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.401 -1.509 0.311 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.305 -2.526 -0.836 1.00 0.00 H new ATOM 813 N THR A 886 15.590 0.641 -4.183 1.00 0.00 N ATOM 814 CA THR A 886 16.507 1.635 -4.703 1.00 0.00 C ATOM 815 C THR A 886 15.770 2.578 -5.643 1.00 0.00 C ATOM 816 O THR A 886 15.843 3.796 -5.488 1.00 0.00 O ATOM 817 CB THR A 886 17.654 0.937 -5.429 1.00 0.00 C ATOM 818 OG1 THR A 886 17.221 0.527 -6.707 1.00 0.00 O ATOM 819 CG2 THR A 886 18.096 -0.284 -4.626 1.00 0.00 C ATOM 0 H THR A 886 16.042 -0.155 -3.734 1.00 0.00 H new ATOM 0 HA THR A 886 16.917 2.221 -3.881 1.00 0.00 H new ATOM 0 HB THR A 886 18.492 1.627 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.958 0.080 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.915 -0.783 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.430 0.032 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.259 -0.974 -4.522 1.00 0.00 H new ATOM 827 N SER A 887 15.058 2.013 -6.620 1.00 0.00 N ATOM 828 CA SER A 887 14.312 2.805 -7.578 1.00 0.00 C ATOM 829 C SER A 887 12.869 2.948 -7.116 1.00 0.00 C ATOM 830 O SER A 887 12.123 3.769 -7.647 1.00 0.00 O ATOM 831 CB SER A 887 14.378 2.138 -8.949 1.00 0.00 C ATOM 832 OG SER A 887 15.364 2.772 -9.732 1.00 0.00 O ATOM 0 H SER A 887 14.987 1.005 -6.762 1.00 0.00 H new ATOM 0 HA SER A 887 14.749 3.801 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.611 1.079 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.409 2.202 -9.444 1.00 0.00 H new ATOM 0 HG SER A 887 15.408 2.343 -10.612 1.00 0.00 H new ATOM 838 N ALA A 888 12.476 2.147 -6.123 1.00 0.00 N ATOM 839 CA ALA A 888 11.127 2.188 -5.595 1.00 0.00 C ATOM 840 C ALA A 888 10.758 3.620 -5.235 1.00 0.00 C ATOM 841 O ALA A 888 11.367 4.564 -5.733 1.00 0.00 O ATOM 842 CB ALA A 888 11.033 1.281 -4.372 1.00 0.00 C ATOM 0 H ALA A 888 13.083 1.462 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 888 10.425 1.832 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.019 1.311 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.281 0.259 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.732 1.624 -3.610 1.00 0.00 H new ATOM 848 N THR A 889 9.756 3.781 -4.368 1.00 0.00 N ATOM 849 CA THR A 889 9.315 5.096 -3.949 1.00 0.00 C ATOM 850 C THR A 889 8.639 5.008 -2.588 1.00 0.00 C ATOM 851 O THR A 889 8.825 5.880 -1.742 1.00 0.00 O ATOM 852 CB THR A 889 8.359 5.667 -4.992 1.00 0.00 C ATOM 853 OG1 THR A 889 8.603 7.047 -5.148 1.00 0.00 O ATOM 854 CG2 THR A 889 6.919 5.454 -4.533 1.00 0.00 C ATOM 0 H THR A 889 9.239 3.009 -3.946 1.00 0.00 H new ATOM 0 HA THR A 889 10.175 5.760 -3.861 1.00 0.00 H new ATOM 0 HB THR A 889 8.516 5.160 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 889 7.765 7.542 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 889 6.236 5.862 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.730 4.387 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.762 5.961 -3.581 1.00 0.00 H new ATOM 862 N HIS A 890 7.851 3.951 -2.378 1.00 0.00 N ATOM 863 CA HIS A 890 7.153 3.759 -1.123 1.00 0.00 C ATOM 864 C HIS A 890 7.594 2.453 -0.477 1.00 0.00 C ATOM 865 O HIS A 890 8.005 1.524 -1.169 1.00 0.00 O ATOM 866 CB HIS A 890 5.648 3.755 -1.376 1.00 0.00 C ATOM 867 CG HIS A 890 5.063 5.140 -1.418 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.918 5.926 -2.538 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.580 5.845 -0.349 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.357 7.084 -2.145 1.00 0.00 C ATOM 871 NE2 HIS A 890 4.132 7.083 -0.820 1.00 0.00 N ATOM 0 HA HIS A 890 7.394 4.575 -0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.444 3.250 -2.320 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.154 3.180 -0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.550 5.506 0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.119 7.905 -2.806 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.718 7.834 -0.269 1.00 0.00 H new ATOM 879 N VAL A 891 7.507 2.385 0.853 1.00 0.00 N ATOM 880 CA VAL A 891 7.897 1.196 1.585 1.00 0.00 C ATOM 881 C VAL A 891 6.995 1.021 2.799 1.00 0.00 C ATOM 882 O VAL A 891 6.854 1.936 3.607 1.00 0.00 O ATOM 883 CB VAL A 891 9.357 1.317 2.010 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.253 1.247 0.776 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.572 2.651 2.718 1.00 0.00 C ATOM 0 H VAL A 891 7.167 3.147 1.440 1.00 0.00 H new ATOM 0 HA VAL A 891 7.790 0.319 0.947 1.00 0.00 H new ATOM 0 HB VAL A 891 9.607 0.501 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.297 1.333 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 891 10.100 0.294 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 891 10.003 2.063 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.615 2.738 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.322 3.467 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.932 2.703 3.599 1.00 0.00 H new ATOM 895 N LEU A 892 6.384 -0.160 2.925 1.00 0.00 N ATOM 896 CA LEU A 892 5.501 -0.449 4.037 1.00 0.00 C ATOM 897 C LEU A 892 6.321 -0.816 5.266 1.00 0.00 C ATOM 898 O LEU A 892 7.085 -1.778 5.240 1.00 0.00 O ATOM 899 CB LEU A 892 4.560 -1.589 3.655 1.00 0.00 C ATOM 900 CG LEU A 892 3.131 -1.219 4.041 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.181 -1.611 2.913 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.740 -1.960 5.317 1.00 0.00 C ATOM 0 H LEU A 892 6.491 -0.929 2.263 1.00 0.00 H new ATOM 0 HA LEU A 892 4.906 0.433 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.621 -1.782 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.859 -2.507 4.161 1.00 0.00 H new ATOM 0 HG LEU A 892 3.068 -0.144 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.160 -1.347 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.460 -1.081 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.244 -2.686 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.719 -1.696 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.803 -3.035 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.418 -1.679 6.123 1.00 0.00 H new ATOM 914 N GLY A 893 6.161 -0.046 6.345 1.00 0.00 N ATOM 915 CA GLY A 893 6.888 -0.297 7.573 1.00 0.00 C ATOM 916 C GLY A 893 8.385 -0.338 7.301 1.00 0.00 C ATOM 917 O GLY A 893 8.869 -1.232 6.610 1.00 0.00 O ATOM 0 H GLY A 893 5.531 0.756 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.665 0.482 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.564 -1.242 8.009 1.00 0.00 H new ATOM 921 N SER A 894 9.119 0.634 7.848 1.00 0.00 N ATOM 922 CA SER A 894 10.555 0.702 7.663 1.00 0.00 C ATOM 923 C SER A 894 10.872 1.300 6.299 1.00 0.00 C ATOM 924 O SER A 894 9.982 1.456 5.465 1.00 0.00 O ATOM 925 CB SER A 894 11.151 -0.696 7.792 1.00 0.00 C ATOM 926 OG SER A 894 11.076 -1.117 9.135 1.00 0.00 O ATOM 0 H SER A 894 8.733 1.383 8.423 1.00 0.00 H new ATOM 0 HA SER A 894 10.994 1.341 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.612 -1.393 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.189 -0.693 7.458 1.00 0.00 H new ATOM 0 HG SER A 894 11.457 -2.016 9.218 1.00 0.00 H new ATOM 932 N ARG A 895 12.144 1.634 6.074 1.00 0.00 N ATOM 933 CA ARG A 895 12.572 2.212 4.815 1.00 0.00 C ATOM 934 C ARG A 895 13.956 1.691 4.453 1.00 0.00 C ATOM 935 O ARG A 895 14.269 1.524 3.276 1.00 0.00 O ATOM 936 CB ARG A 895 12.581 3.733 4.933 1.00 0.00 C ATOM 937 CG ARG A 895 13.327 4.142 6.200 1.00 0.00 C ATOM 938 CD ARG A 895 13.635 5.635 6.151 1.00 0.00 C ATOM 939 NE ARG A 895 15.072 5.880 6.276 1.00 0.00 N ATOM 940 CZ ARG A 895 15.635 7.062 5.991 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.874 8.083 5.572 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.958 7.224 6.124 1.00 0.00 N ATOM 0 H ARG A 895 12.893 1.510 6.755 1.00 0.00 H new ATOM 0 HA ARG A 895 11.879 1.926 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 895 13.060 4.173 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.559 4.112 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.725 3.913 7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.252 3.572 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.272 6.054 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.104 6.146 6.955 1.00 0.00 H new ATOM 0 HE ARG A 895 15.671 5.118 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.867 7.960 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.302 8.983 5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.537 6.447 6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.386 8.124 5.907 1.00 0.00 H new ATOM 956 N ASP A 896 14.784 1.435 5.468 1.00 0.00 N ATOM 957 CA ASP A 896 16.127 0.936 5.251 1.00 0.00 C ATOM 958 C ASP A 896 16.281 0.482 3.806 1.00 0.00 C ATOM 959 O ASP A 896 16.861 1.193 2.989 1.00 0.00 O ATOM 960 CB ASP A 896 16.402 -0.217 6.212 1.00 0.00 C ATOM 961 CG ASP A 896 17.607 -1.029 5.758 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.732 -0.627 6.125 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.380 -2.035 5.052 1.00 0.00 O ATOM 0 H ASP A 896 14.539 1.568 6.449 1.00 0.00 H new ATOM 0 HA ASP A 896 16.849 1.730 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.579 0.174 7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.526 -0.862 6.272 1.00 0.00 H new ATOM 968 N LYS A 897 15.759 -0.706 3.492 1.00 0.00 N ATOM 969 CA LYS A 897 15.842 -1.245 2.150 1.00 0.00 C ATOM 970 C LYS A 897 15.836 -0.111 1.135 1.00 0.00 C ATOM 971 O LYS A 897 16.482 -0.203 0.093 1.00 0.00 O ATOM 972 CB LYS A 897 14.669 -2.192 1.909 1.00 0.00 C ATOM 973 CG LYS A 897 13.717 -2.134 3.101 1.00 0.00 C ATOM 974 CD LYS A 897 12.815 -0.910 2.974 1.00 0.00 C ATOM 975 CE LYS A 897 12.212 -0.579 4.336 1.00 0.00 C ATOM 976 NZ LYS A 897 10.853 -0.034 4.193 1.00 0.00 N ATOM 0 H LYS A 897 15.275 -1.308 4.158 1.00 0.00 H new ATOM 0 HA LYS A 897 16.772 -1.802 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.143 -1.913 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.032 -3.210 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.113 -3.041 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.284 -2.086 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.387 -0.060 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.023 -1.102 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.184 -1.477 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.845 0.143 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.326 -0.178 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.907 0.983 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.364 -0.521 3.415 1.00 0.00 H new ATOM 990 N ASN A 898 15.103 0.962 1.441 1.00 0.00 N ATOM 991 CA ASN A 898 15.018 2.106 0.555 1.00 0.00 C ATOM 992 C ASN A 898 14.566 3.333 1.334 1.00 0.00 C ATOM 993 O ASN A 898 13.372 3.528 1.553 1.00 0.00 O ATOM 994 CB ASN A 898 14.045 1.798 -0.579 1.00 0.00 C ATOM 995 CG ASN A 898 14.682 2.080 -1.933 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.839 1.735 -2.160 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.922 2.709 -2.833 1.00 0.00 N ATOM 0 H ASN A 898 14.561 1.054 2.300 1.00 0.00 H new ATOM 0 HA ASN A 898 16.000 2.313 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.739 0.753 -0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.144 2.400 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.297 2.923 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.966 2.975 -2.597 1.00 0.00 H new ATOM 1004 N PRO A 899 15.525 4.162 1.753 1.00 0.00 N ATOM 1005 CA PRO A 899 15.285 5.376 2.503 1.00 0.00 C ATOM 1006 C PRO A 899 14.675 6.429 1.589 1.00 0.00 C ATOM 1007 O PRO A 899 14.218 7.469 2.056 1.00 0.00 O ATOM 1008 CB PRO A 899 16.663 5.811 2.997 1.00 0.00 C ATOM 1009 CG PRO A 899 17.594 5.285 1.905 1.00 0.00 C ATOM 1010 CD PRO A 899 16.938 3.963 1.513 1.00 0.00 C ATOM 0 HA PRO A 899 14.590 5.233 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.732 6.894 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.898 5.381 3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.657 5.972 1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.609 5.140 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.131 3.721 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.327 3.137 2.108 1.00 0.00 H new ATOM 1018 N ALA A 900 14.671 6.156 0.282 1.00 0.00 N ATOM 1019 CA ALA A 900 14.121 7.080 -0.690 1.00 0.00 C ATOM 1020 C ALA A 900 12.641 6.793 -0.894 1.00 0.00 C ATOM 1021 O ALA A 900 11.964 7.508 -1.630 1.00 0.00 O ATOM 1022 CB ALA A 900 14.885 6.948 -2.005 1.00 0.00 C ATOM 0 H ALA A 900 15.046 5.297 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 900 14.225 8.102 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.472 7.642 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.937 7.179 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.792 5.929 -2.379 1.00 0.00 H new ATOM 1028 N ALA A 901 12.139 5.743 -0.240 1.00 0.00 N ATOM 1029 CA ALA A 901 10.744 5.367 -0.354 1.00 0.00 C ATOM 1030 C ALA A 901 9.936 6.046 0.743 1.00 0.00 C ATOM 1031 O ALA A 901 10.354 7.068 1.282 1.00 0.00 O ATOM 1032 CB ALA A 901 10.618 3.849 -0.259 1.00 0.00 C ATOM 0 H ALA A 901 12.687 5.141 0.374 1.00 0.00 H new ATOM 0 HA ALA A 901 10.353 5.691 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.569 3.565 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.186 3.386 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 901 11.008 3.511 0.701 1.00 0.00 H new ATOM 1038 N GLN A 902 8.775 5.474 1.072 1.00 0.00 N ATOM 1039 CA GLN A 902 7.916 6.027 2.099 1.00 0.00 C ATOM 1040 C GLN A 902 7.632 4.971 3.158 1.00 0.00 C ATOM 1041 O GLN A 902 7.323 3.827 2.830 1.00 0.00 O ATOM 1042 CB GLN A 902 6.618 6.519 1.465 1.00 0.00 C ATOM 1043 CG GLN A 902 6.784 7.972 1.027 1.00 0.00 C ATOM 1044 CD GLN A 902 7.214 8.845 2.197 1.00 0.00 C ATOM 1045 OE1 GLN A 902 8.042 9.738 2.035 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.649 8.584 3.378 1.00 0.00 N ATOM 0 H GLN A 902 8.415 4.625 0.635 1.00 0.00 H new ATOM 0 HA GLN A 902 8.413 6.870 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.361 5.897 0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.798 6.434 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.525 8.034 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.844 8.342 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.966 7.831 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.900 9.138 4.197 1.00 0.00 H new ATOM 1055 N GLN A 903 7.737 5.357 4.432 1.00 0.00 N ATOM 1056 CA GLN A 903 7.492 4.444 5.530 1.00 0.00 C ATOM 1057 C GLN A 903 6.026 4.505 5.936 1.00 0.00 C ATOM 1058 O GLN A 903 5.694 5.034 6.994 1.00 0.00 O ATOM 1059 CB GLN A 903 8.394 4.810 6.705 1.00 0.00 C ATOM 1060 CG GLN A 903 9.828 4.390 6.397 1.00 0.00 C ATOM 1061 CD GLN A 903 10.779 5.572 6.525 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.319 5.823 7.600 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.982 6.299 5.424 1.00 0.00 N ATOM 0 H GLN A 903 7.992 6.302 4.720 1.00 0.00 H new ATOM 0 HA GLN A 903 7.719 3.425 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.350 5.883 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.046 4.316 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.133 3.597 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.883 3.981 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.510 6.050 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.609 7.103 5.452 1.00 0.00 H new ATOM 1072 N VAL A 904 5.148 3.961 5.090 1.00 0.00 N ATOM 1073 CA VAL A 904 3.725 3.955 5.363 1.00 0.00 C ATOM 1074 C VAL A 904 3.342 2.666 6.077 1.00 0.00 C ATOM 1075 O VAL A 904 4.165 1.763 6.214 1.00 0.00 O ATOM 1076 CB VAL A 904 2.955 4.097 4.053 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.916 4.504 2.940 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.303 2.763 3.700 1.00 0.00 C ATOM 0 H VAL A 904 5.408 3.519 4.208 1.00 0.00 H new ATOM 0 HA VAL A 904 3.472 4.795 6.010 1.00 0.00 H new ATOM 0 HB VAL A 904 2.185 4.860 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.367 4.606 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.382 5.456 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.686 3.741 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.753 2.863 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.073 2.000 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.617 2.472 4.495 1.00 0.00 H new ATOM 1088 N SER A 905 2.090 2.582 6.530 1.00 0.00 N ATOM 1089 CA SER A 905 1.607 1.405 7.224 1.00 0.00 C ATOM 1090 C SER A 905 0.311 0.924 6.586 1.00 0.00 C ATOM 1091 O SER A 905 -0.078 1.408 5.526 1.00 0.00 O ATOM 1092 CB SER A 905 1.394 1.736 8.698 1.00 0.00 C ATOM 1093 OG SER A 905 2.028 0.761 9.495 1.00 0.00 O ATOM 0 H SER A 905 1.396 3.322 6.424 1.00 0.00 H new ATOM 0 HA SER A 905 2.344 0.606 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.798 2.723 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.328 1.769 8.924 1.00 0.00 H new ATOM 0 HG SER A 905 1.552 0.676 10.348 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.358 -0.030 7.237 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.606 -0.606 6.784 1.00 0.00 C ATOM 1101 C PRO A 906 -2.730 0.404 6.967 1.00 0.00 C ATOM 1102 O PRO A 906 -3.699 0.400 6.211 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.819 -1.829 7.674 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.133 -1.422 8.977 1.00 0.00 C ATOM 1105 CD PRO A 906 0.071 -0.621 8.486 1.00 0.00 C ATOM 0 HA PRO A 906 -1.590 -0.877 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.878 -2.041 7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.372 -2.725 7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.788 -0.822 9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.830 -2.289 9.564 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.357 0.144 9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.940 -1.263 8.341 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.599 1.271 7.974 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.603 2.279 8.247 1.00 0.00 C ATOM 1115 C GLU A 907 -3.615 3.316 7.133 1.00 0.00 C ATOM 1116 O GLU A 907 -4.657 3.892 6.829 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.311 2.935 9.594 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.489 3.815 9.998 1.00 0.00 C ATOM 1119 CD GLU A 907 -4.211 4.524 11.316 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -3.094 5.070 11.442 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -5.122 4.506 12.172 1.00 0.00 O ATOM 0 H GLU A 907 -1.802 1.288 8.610 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.587 1.813 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -3.137 2.171 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -2.402 3.533 9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.682 4.552 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -5.388 3.206 10.091 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.451 3.554 6.524 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.339 4.517 5.447 1.00 0.00 C ATOM 1130 C TRP A 908 -3.110 4.028 4.230 1.00 0.00 C ATOM 1131 O TRP A 908 -3.901 4.770 3.653 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.866 4.727 5.106 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.612 5.624 3.937 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.557 6.973 3.987 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.377 5.267 2.541 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.307 7.472 2.726 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.187 6.461 1.794 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.306 4.056 1.829 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.061 6.455 0.419 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.059 4.040 0.449 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.125 5.234 -0.258 1.00 0.00 C ATOM 0 H TRP A 908 -1.576 3.088 6.765 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.766 5.469 5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.361 5.141 5.979 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.412 3.756 4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.689 7.569 4.878 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.221 8.465 2.509 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.444 3.123 2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.202 7.383 -0.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.010 3.096 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.315 5.212 -1.321 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.877 2.772 3.840 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.550 2.187 2.697 1.00 0.00 C ATOM 1154 C ILE A 909 -5.053 2.384 2.829 1.00 0.00 C ATOM 1155 O ILE A 909 -5.692 2.922 1.927 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.202 0.704 2.608 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -1.984 0.519 1.708 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.387 -0.061 2.025 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -0.874 -0.176 2.491 1.00 0.00 C ATOM 0 H ILE A 909 -2.222 2.145 4.307 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.219 2.679 1.782 1.00 0.00 H new ATOM 0 HB ILE A 909 -2.977 0.323 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.252 -0.073 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.637 1.486 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.140 -1.121 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.257 0.070 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.612 0.320 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.004 -0.308 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.600 0.433 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.225 -1.150 2.832 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.620 1.945 3.955 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.043 2.079 4.194 1.00 0.00 C ATOM 1173 C TRP A 910 -7.448 3.543 4.108 1.00 0.00 C ATOM 1174 O TRP A 910 -8.294 3.910 3.295 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.384 1.503 5.565 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.801 0.155 5.844 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -5.992 -0.146 6.884 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.962 -1.087 5.093 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.644 -1.479 6.828 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.216 -2.108 5.741 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.662 -1.456 3.930 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.166 -3.421 5.264 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.619 -2.770 3.443 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.874 -3.753 4.106 1.00 0.00 C ATOM 0 H TRP A 910 -5.107 1.494 4.712 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.595 1.527 3.434 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.039 2.198 6.331 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.468 1.440 5.657 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.668 0.551 7.643 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.039 -1.943 7.506 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.243 -0.714 3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.587 -4.170 5.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.166 -3.027 2.548 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.847 -4.763 3.724 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.840 4.382 4.951 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.139 5.799 4.968 1.00 0.00 C ATOM 1197 C ALA A 911 -6.982 6.376 3.568 1.00 0.00 C ATOM 1198 O ALA A 911 -7.709 7.290 3.186 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.208 6.503 5.951 1.00 0.00 C ATOM 0 H ALA A 911 -6.136 4.093 5.630 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.169 5.954 5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.432 7.570 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.352 6.089 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.173 6.354 5.643 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.027 5.839 2.805 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.775 6.298 1.453 1.00 0.00 C ATOM 1207 C CYS A 912 -6.917 5.862 0.546 1.00 0.00 C ATOM 1208 O CYS A 912 -7.797 6.659 0.230 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.446 5.730 0.963 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.112 6.422 1.972 1.00 0.00 S ATOM 0 H CYS A 912 -5.416 5.081 3.111 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.716 7.386 1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.450 4.642 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.293 5.978 -0.087 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.990 5.842 1.665 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.901 4.594 0.128 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.933 4.060 -0.738 1.00 0.00 C ATOM 1218 C ILE A 913 -9.287 4.626 -0.335 1.00 0.00 C ATOM 1219 O ILE A 913 -10.061 5.053 -1.189 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.933 2.536 -0.647 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.235 1.992 -1.229 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.814 2.115 0.815 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -9.178 0.467 -1.264 1.00 0.00 C ATOM 0 H ILE A 913 -6.177 3.922 0.382 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.734 4.349 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 913 -7.089 2.138 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -10.081 2.321 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.388 2.384 -2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.814 1.027 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -6.885 2.504 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.658 2.513 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -10.107 0.078 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.341 0.148 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -9.045 0.085 -0.252 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.571 4.629 0.969 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.828 5.140 1.477 1.00 0.00 C ATOM 1237 C ARG A 914 -10.922 6.636 1.209 1.00 0.00 C ATOM 1238 O ARG A 914 -11.994 7.145 0.890 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.926 4.852 2.972 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.371 5.034 3.431 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.311 4.827 2.247 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.710 4.916 2.665 1.00 0.00 N ATOM 1243 CZ ARG A 914 -15.726 4.966 1.794 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -15.482 4.935 0.476 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -16.988 5.048 2.239 1.00 0.00 N ATOM 0 H ARG A 914 -8.938 4.280 1.689 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.657 4.647 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.592 3.835 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.270 5.523 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.604 4.323 4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.508 6.032 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -13.108 5.577 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -13.124 3.852 1.796 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.921 4.941 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -14.522 4.873 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -16.256 4.973 -0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -17.175 5.072 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -17.761 5.086 1.575 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.795 7.340 1.339 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.758 8.770 1.110 1.00 0.00 C ATOM 1261 C LYS A 915 -9.747 9.055 -0.386 1.00 0.00 C ATOM 1262 O LYS A 915 -9.950 10.192 -0.805 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.521 9.360 1.781 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.766 9.478 3.283 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.692 10.660 3.557 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.236 10.562 4.979 1.00 0.00 C ATOM 1267 NZ LYS A 915 -11.563 11.188 5.081 1.00 0.00 N ATOM 0 H LYS A 915 -8.898 6.933 1.603 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.646 9.233 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.654 8.727 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.298 10.340 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.211 8.558 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.820 9.615 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.151 11.597 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.514 10.665 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.300 9.515 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -9.547 11.048 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -11.911 11.108 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -11.494 12.192 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -12.224 10.707 4.438 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.508 8.017 -1.190 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.470 8.160 -2.632 1.00 0.00 C ATOM 1283 C ARG A 916 -8.261 8.992 -3.036 1.00 0.00 C ATOM 1284 O ARG A 916 -7.993 9.164 -4.223 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.762 8.816 -3.111 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.705 7.745 -3.654 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.556 7.657 -5.170 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.793 8.055 -5.843 1.00 0.00 N ATOM 1289 CZ ARG A 916 -13.008 9.299 -6.291 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -12.068 10.241 -6.131 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.163 9.603 -6.899 1.00 0.00 N ATOM 0 H ARG A 916 -9.338 7.068 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.382 7.178 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.237 9.351 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.544 9.551 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.478 6.781 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.735 7.986 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -10.738 8.299 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.295 6.638 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 916 -13.523 7.355 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -11.189 10.011 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -12.232 11.188 -6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.879 8.887 -7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -14.326 10.550 -7.240 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.531 9.507 -2.044 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.357 10.317 -2.301 1.00 0.00 C ATOM 1307 C ARG A 917 -5.282 10.007 -1.270 1.00 0.00 C ATOM 1308 O ARG A 917 -5.489 10.205 -0.075 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.740 11.794 -2.254 1.00 0.00 C ATOM 1310 CG ARG A 917 -8.063 11.954 -1.511 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.217 11.889 -2.508 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.431 12.480 -1.945 1.00 0.00 N ATOM 1313 CZ ARG A 917 -10.580 13.799 -1.765 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -9.593 14.638 -2.106 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -11.717 14.280 -1.242 1.00 0.00 N ATOM 0 H ARG A 917 -7.740 9.372 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.961 10.088 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.959 12.367 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.829 12.190 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.170 11.168 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.081 12.905 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.942 12.415 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.407 10.851 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 917 -11.197 11.861 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -8.727 14.273 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -9.707 15.642 -1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.469 13.642 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -11.830 15.284 -1.105 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.129 9.519 -1.735 1.00 0.00 N ATOM 1330 CA LEU A 918 -3.028 9.185 -0.854 1.00 0.00 C ATOM 1331 C LEU A 918 -2.950 10.196 0.281 1.00 0.00 C ATOM 1332 O LEU A 918 -2.846 11.396 0.040 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.727 9.165 -1.651 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.564 7.805 -2.325 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.683 6.873 -1.868 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.632 7.977 -3.840 1.00 0.00 C ATOM 0 H LEU A 918 -3.942 9.349 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.190 8.197 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.735 9.956 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.881 9.360 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.600 7.377 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.567 5.902 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.635 6.750 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.647 7.301 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.516 7.006 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.596 8.405 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.833 8.642 -4.167 1.00 0.00 H new ATOM 1348 N VAL A 919 -3.000 9.706 1.522 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.934 10.566 2.687 1.00 0.00 C ATOM 1350 C VAL A 919 -1.507 10.609 3.215 1.00 0.00 C ATOM 1351 O VAL A 919 -0.572 10.229 2.514 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.892 10.048 3.756 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.950 9.163 3.105 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.112 9.236 4.786 1.00 0.00 C ATOM 0 H VAL A 919 -3.086 8.713 1.738 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.230 11.579 2.414 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.377 10.890 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.634 8.793 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.507 9.743 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.466 8.320 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.795 8.865 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.627 8.393 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.356 9.869 5.251 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.342 11.073 4.456 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.033 11.164 5.071 1.00 0.00 C ATOM 1366 C ALA A 920 0.484 9.768 5.389 1.00 0.00 C ATOM 1367 O ALA A 920 -0.085 9.069 6.225 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.125 12.009 6.338 1.00 0.00 C ATOM 0 H ALA A 920 -2.108 11.391 5.050 1.00 0.00 H new ATOM 0 HA ALA A 920 0.665 11.641 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.859 12.078 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.477 13.009 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.823 11.545 7.035 1.00 0.00 H new ATOM 1374 N PRO A 921 1.566 9.364 4.720 1.00 0.00 N ATOM 1375 CA PRO A 921 2.197 8.073 4.893 1.00 0.00 C ATOM 1376 C PRO A 921 2.922 8.033 6.230 1.00 0.00 C ATOM 1377 O PRO A 921 3.687 8.941 6.551 1.00 0.00 O ATOM 1378 CB PRO A 921 3.183 7.961 3.732 1.00 0.00 C ATOM 1379 CG PRO A 921 3.568 9.416 3.474 1.00 0.00 C ATOM 1380 CD PRO A 921 2.260 10.160 3.731 1.00 0.00 C ATOM 0 HA PRO A 921 1.483 7.249 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.049 7.354 3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.725 7.502 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.362 9.749 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.926 9.566 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.445 11.170 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.673 10.254 2.817 1.00 0.00 H new ATOM 1388 N CYS A 922 2.678 6.978 7.011 1.00 0.00 N ATOM 1389 CA CYS A 922 3.304 6.822 8.309 1.00 0.00 C ATOM 1390 C CYS A 922 3.215 5.366 8.745 1.00 0.00 C ATOM 1391 O CYS A 922 3.656 5.017 9.838 1.00 0.00 O ATOM 1392 CB CYS A 922 2.615 7.734 9.319 1.00 0.00 C ATOM 1393 SG CYS A 922 3.882 8.602 10.277 1.00 0.00 S ATOM 0 H CYS A 922 2.046 6.219 6.757 1.00 0.00 H new ATOM 0 HA CYS A 922 4.356 7.102 8.250 1.00 0.00 H new ATOM 0 HB2 CYS A 922 1.973 8.450 8.805 1.00 0.00 H new ATOM 0 HB3 CYS A 922 1.975 7.150 9.981 1.00 0.00 H new ATOM 0 HG CYS A 922 3.311 9.386 11.142 1.00 0.00 H new TER 1399 CYS A 922