USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.144) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 153:sc= -3.43! (180deg=-3.93!) USER MOD Single : A 9 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.057) USER MOD Single : A 10 MET CE :methyl 175:sc= -1.24 (180deg=-1.77!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0529 F(o=-0.67,f=-0.053) USER MOD Single : A 16 TYR OH : rot -165:sc= -1.92 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0785 F(o=-0.68,f=-0.079) USER MOD Single : A 20 ASN : amide:sc= -0.591 K(o=-0.59,f=-2.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.188 (180deg=-0.69) USER MOD Single : B 1 MET CE :methyl 155:sc= -0.852 (180deg=-2.86!) USER MOD Single : B 1 MET N :NH3+ -172:sc= -0.0264 (180deg=-0.125) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 MET CE :methyl 171:sc= -2.15! (180deg=-2.28!) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= -1.43 USER MOD Single : B 17 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : B 20 ASN : amide:sc= 0.43 X(o=0.43,f=-0.011) USER MOD Single : B 26 LYS NZ :NH3+ -172:sc= -3.01! (180deg=-3.2!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.565 -11.078 17.018 1.00 0.00 N ATOM 2 CA MET A 1 9.250 -10.985 15.740 1.00 0.00 C ATOM 3 C MET A 1 8.692 -12.045 14.788 1.00 0.00 C ATOM 4 O MET A 1 8.508 -11.735 13.602 1.00 0.00 O ATOM 5 CB MET A 1 10.753 -11.205 15.924 1.00 0.00 C ATOM 6 CG MET A 1 11.556 -10.353 14.938 1.00 0.00 C ATOM 7 SD MET A 1 13.110 -11.193 14.514 1.00 0.00 S ATOM 8 CE MET A 1 12.514 -12.330 13.228 1.00 0.00 C ATOM 0 H1 MET A 1 8.790 -10.242 17.594 1.00 0.00 H new ATOM 0 H2 MET A 1 7.538 -11.123 16.859 1.00 0.00 H new ATOM 0 H3 MET A 1 8.876 -11.936 17.517 1.00 0.00 H new ATOM 0 HA MET A 1 9.089 -9.991 15.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.039 -10.953 16.945 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.991 -12.259 15.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.970 -10.177 14.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.768 -9.378 15.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.347 -12.927 12.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.755 -12.989 13.649 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.082 -11.757 12.407 1.00 0.00 H new ATOM 18 N ASP A 2 8.436 -13.255 15.317 1.00 0.00 N ATOM 19 CA ASP A 2 7.905 -14.348 14.521 1.00 0.00 C ATOM 20 C ASP A 2 6.664 -13.866 13.767 1.00 0.00 C ATOM 21 O ASP A 2 6.453 -14.314 12.631 1.00 0.00 O ATOM 22 CB ASP A 2 7.493 -15.525 15.407 1.00 0.00 C ATOM 23 CG ASP A 2 8.346 -15.720 16.661 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.568 -16.071 16.440 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.868 -15.547 17.792 1.00 0.00 O ATOM 0 H ASP A 2 8.593 -13.489 16.297 1.00 0.00 H new ATOM 0 HA ASP A 2 8.683 -14.672 13.830 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.455 -15.386 15.710 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.533 -16.438 14.813 1.00 0.00 H new ATOM 30 N ALA A 3 5.880 -12.977 14.403 1.00 0.00 N ATOM 31 CA ALA A 3 4.672 -12.442 13.796 1.00 0.00 C ATOM 32 C ALA A 3 5.016 -11.161 13.033 1.00 0.00 C ATOM 33 O ALA A 3 4.186 -10.714 12.228 1.00 0.00 O ATOM 34 CB ALA A 3 3.682 -12.037 14.890 1.00 0.00 C ATOM 0 H ALA A 3 6.072 -12.620 15.339 1.00 0.00 H new ATOM 0 HA ALA A 3 4.249 -13.202 13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.778 -11.636 14.432 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.428 -12.909 15.492 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.134 -11.276 15.526 1.00 0.00 H new ATOM 40 N ILE A 4 6.212 -10.606 13.294 1.00 0.00 N ATOM 41 CA ILE A 4 6.658 -9.389 12.636 1.00 0.00 C ATOM 42 C ILE A 4 7.145 -9.727 11.226 1.00 0.00 C ATOM 43 O ILE A 4 6.778 -9.005 10.287 1.00 0.00 O ATOM 44 CB ILE A 4 7.702 -8.669 13.492 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.124 -8.284 14.855 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.278 -7.460 12.751 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.503 -6.849 15.226 1.00 0.00 C ATOM 0 H ILE A 4 6.882 -10.991 13.960 1.00 0.00 H new ATOM 0 HA ILE A 4 5.830 -8.688 12.528 1.00 0.00 H new ATOM 0 HB ILE A 4 8.527 -9.358 13.676 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.039 -8.384 14.835 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.493 -8.970 15.617 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.018 -6.966 13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.752 -7.791 11.827 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.475 -6.761 12.517 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.079 -6.601 16.199 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.588 -6.759 15.269 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.111 -6.163 14.474 1.00 0.00 H new ATOM 59 N LYS A 5 7.948 -10.799 11.107 1.00 0.00 N ATOM 60 CA LYS A 5 8.478 -11.225 9.823 1.00 0.00 C ATOM 61 C LYS A 5 7.326 -11.404 8.833 1.00 0.00 C ATOM 62 O LYS A 5 7.514 -11.100 7.646 1.00 0.00 O ATOM 63 CB LYS A 5 9.346 -12.475 9.989 1.00 0.00 C ATOM 64 CG LYS A 5 8.939 -13.262 11.235 1.00 0.00 C ATOM 65 CD LYS A 5 9.153 -14.763 11.030 1.00 0.00 C ATOM 66 CE LYS A 5 10.551 -15.185 11.487 1.00 0.00 C ATOM 67 NZ LYS A 5 11.008 -16.362 10.730 1.00 0.00 N ATOM 0 H LYS A 5 8.238 -11.380 11.893 1.00 0.00 H new ATOM 0 HA LYS A 5 9.136 -10.460 9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.251 -13.108 9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.395 -12.187 10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.522 -12.922 12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.891 -13.069 11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.400 -15.321 11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.020 -15.013 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.250 -14.361 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.538 -15.413 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.958 -16.635 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.349 -17.152 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.040 -16.132 9.716 1.00 0.00 H new ATOM 81 N LYS A 6 6.173 -11.885 9.332 1.00 0.00 N ATOM 82 CA LYS A 6 5.003 -12.102 8.498 1.00 0.00 C ATOM 83 C LYS A 6 4.196 -10.805 8.413 1.00 0.00 C ATOM 84 O LYS A 6 3.565 -10.569 7.371 1.00 0.00 O ATOM 85 CB LYS A 6 4.195 -13.296 9.007 1.00 0.00 C ATOM 86 CG LYS A 6 5.113 -14.364 9.605 1.00 0.00 C ATOM 87 CD LYS A 6 4.328 -15.633 9.947 1.00 0.00 C ATOM 88 CE LYS A 6 4.826 -16.824 9.128 1.00 0.00 C ATOM 89 NZ LYS A 6 4.256 -18.079 9.645 1.00 0.00 N ATOM 0 H LYS A 6 6.038 -12.128 10.313 1.00 0.00 H new ATOM 0 HA LYS A 6 5.302 -12.360 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.481 -12.962 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.618 -13.725 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.908 -14.603 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.592 -13.975 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.428 -15.851 11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.268 -15.472 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.548 -16.695 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.914 -16.869 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.604 -18.878 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.542 -18.208 10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.218 -18.039 9.586 1.00 0.00 H new ATOM 103 N LYS A 7 4.230 -10.002 9.491 1.00 0.00 N ATOM 104 CA LYS A 7 3.506 -8.742 9.538 1.00 0.00 C ATOM 105 C LYS A 7 3.849 -7.916 8.296 1.00 0.00 C ATOM 106 O LYS A 7 2.927 -7.357 7.686 1.00 0.00 O ATOM 107 CB LYS A 7 3.781 -8.015 10.855 1.00 0.00 C ATOM 108 CG LYS A 7 3.038 -6.679 10.909 1.00 0.00 C ATOM 109 CD LYS A 7 1.587 -6.840 10.451 1.00 0.00 C ATOM 110 CE LYS A 7 0.691 -5.774 11.085 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.728 -6.081 10.841 1.00 0.00 N ATOM 0 H LYS A 7 4.756 -10.214 10.339 1.00 0.00 H new ATOM 0 HA LYS A 7 2.431 -8.919 9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.472 -8.641 11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.852 -7.844 10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.061 -6.287 11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.545 -5.951 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.534 -6.766 9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.225 -7.832 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.879 -5.724 12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.933 -4.795 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.322 -5.348 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.907 -6.106 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.959 -7.006 11.256 1.00 0.00 H new ATOM 125 N MET A 8 5.149 -7.857 7.952 1.00 0.00 N ATOM 126 CA MET A 8 5.605 -7.105 6.795 1.00 0.00 C ATOM 127 C MET A 8 5.245 -7.872 5.521 1.00 0.00 C ATOM 128 O MET A 8 5.165 -7.241 4.457 1.00 0.00 O ATOM 129 CB MET A 8 7.120 -6.901 6.858 1.00 0.00 C ATOM 130 CG MET A 8 7.851 -8.240 6.964 1.00 0.00 C ATOM 131 SD MET A 8 9.457 -8.141 6.120 1.00 0.00 S ATOM 132 CE MET A 8 10.552 -7.910 7.553 1.00 0.00 C ATOM 0 H MET A 8 5.894 -8.326 8.467 1.00 0.00 H new ATOM 0 HA MET A 8 5.119 -6.129 6.790 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.456 -6.369 5.968 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.371 -6.277 7.716 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.997 -8.502 8.012 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.246 -9.030 6.520 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.544 -8.296 7.319 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.622 -6.848 7.790 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.147 -8.447 8.411 1.00 0.00 H new ATOM 142 N GLN A 9 5.041 -9.195 5.652 1.00 0.00 N ATOM 143 CA GLN A 9 4.693 -10.036 4.518 1.00 0.00 C ATOM 144 C GLN A 9 3.246 -9.757 4.106 1.00 0.00 C ATOM 145 O GLN A 9 2.939 -9.883 2.912 1.00 0.00 O ATOM 146 CB GLN A 9 4.897 -11.519 4.836 1.00 0.00 C ATOM 147 CG GLN A 9 6.371 -11.909 4.709 1.00 0.00 C ATOM 148 CD GLN A 9 6.518 -13.399 4.398 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.035 -13.902 3.396 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.212 -14.077 5.309 1.00 0.00 N ATOM 0 H GLN A 9 5.114 -9.695 6.538 1.00 0.00 H new ATOM 0 HA GLN A 9 5.356 -9.795 3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.547 -11.729 5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.297 -12.126 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.840 -11.321 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.894 -11.674 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.589 -13.595 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.367 -15.078 5.191 1.00 0.00 H new ATOM 159 N MET A 10 2.402 -9.390 5.086 1.00 0.00 N ATOM 160 CA MET A 10 1.002 -9.097 4.826 1.00 0.00 C ATOM 161 C MET A 10 0.878 -7.678 4.268 1.00 0.00 C ATOM 162 O MET A 10 0.006 -7.453 3.416 1.00 0.00 O ATOM 163 CB MET A 10 0.186 -9.213 6.114 1.00 0.00 C ATOM 164 CG MET A 10 0.998 -9.892 7.219 1.00 0.00 C ATOM 165 SD MET A 10 -0.044 -10.155 8.684 1.00 0.00 S ATOM 166 CE MET A 10 -1.687 -10.146 7.910 1.00 0.00 C ATOM 0 H MET A 10 2.676 -9.292 6.064 1.00 0.00 H new ATOM 0 HA MET A 10 0.617 -9.815 4.101 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.124 -8.221 6.443 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.723 -9.784 5.923 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.386 -10.846 6.862 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.858 -9.276 7.480 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.443 -10.384 8.658 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.887 -9.159 7.493 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.718 -10.889 7.114 1.00 0.00 H new ATOM 176 N LEU A 11 1.736 -6.762 4.752 1.00 0.00 N ATOM 177 CA LEU A 11 1.722 -5.381 4.305 1.00 0.00 C ATOM 178 C LEU A 11 2.399 -5.285 2.937 1.00 0.00 C ATOM 179 O LEU A 11 2.064 -4.365 2.176 1.00 0.00 O ATOM 180 CB LEU A 11 2.344 -4.468 5.365 1.00 0.00 C ATOM 181 CG LEU A 11 1.737 -4.556 6.766 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.739 -4.095 7.827 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.422 -3.778 6.843 1.00 0.00 C ATOM 0 H LEU A 11 2.446 -6.967 5.455 1.00 0.00 H new ATOM 0 HA LEU A 11 0.697 -5.032 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.407 -4.699 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.264 -3.437 5.020 1.00 0.00 H new ATOM 0 HG LEU A 11 1.506 -5.601 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.283 -4.167 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.625 -4.728 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.024 -3.061 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.011 -3.857 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.605 -2.730 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.288 -4.192 6.128 1.00 0.00 H new ATOM 195 N LYS A 12 3.323 -6.220 2.654 1.00 0.00 N ATOM 196 CA LYS A 12 4.038 -6.240 1.390 1.00 0.00 C ATOM 197 C LYS A 12 3.113 -6.775 0.294 1.00 0.00 C ATOM 198 O LYS A 12 3.192 -6.277 -0.839 1.00 0.00 O ATOM 199 CB LYS A 12 5.346 -7.023 1.526 1.00 0.00 C ATOM 200 CG LYS A 12 6.488 -6.108 1.972 1.00 0.00 C ATOM 201 CD LYS A 12 7.833 -6.614 1.447 1.00 0.00 C ATOM 202 CE LYS A 12 8.790 -6.925 2.599 1.00 0.00 C ATOM 203 NZ LYS A 12 9.729 -7.992 2.216 1.00 0.00 N ATOM 0 H LYS A 12 3.585 -6.970 3.294 1.00 0.00 H new ATOM 0 HA LYS A 12 4.327 -5.230 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.218 -7.829 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.598 -7.486 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.310 -5.095 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.514 -6.057 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.679 -7.510 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.277 -5.864 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.343 -6.027 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.223 -7.230 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.371 -8.191 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.197 -8.853 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.283 -7.687 1.390 1.00 0.00 H new ATOM 217 N LEU A 13 2.269 -7.761 0.647 1.00 0.00 N ATOM 218 CA LEU A 13 1.340 -8.354 -0.299 1.00 0.00 C ATOM 219 C LEU A 13 0.225 -7.353 -0.609 1.00 0.00 C ATOM 220 O LEU A 13 -0.161 -7.244 -1.782 1.00 0.00 O ATOM 221 CB LEU A 13 0.831 -9.699 0.221 1.00 0.00 C ATOM 222 CG LEU A 13 0.312 -10.675 -0.837 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.697 -11.653 -0.232 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.266 -9.925 -2.038 1.00 0.00 C ATOM 0 H LEU A 13 2.220 -8.157 1.586 1.00 0.00 H new ATOM 0 HA LEU A 13 1.844 -8.572 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.639 -10.184 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.030 -9.510 0.936 1.00 0.00 H new ATOM 0 HG LEU A 13 1.154 -11.264 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.050 -12.336 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.219 -12.223 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.542 -11.098 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.628 -10.642 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.092 -9.294 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.509 -9.304 -2.486 1.00 0.00 H new ATOM 236 N ASP A 14 -0.262 -6.654 0.432 1.00 0.00 N ATOM 237 CA ASP A 14 -1.322 -5.673 0.271 1.00 0.00 C ATOM 238 C ASP A 14 -0.796 -4.489 -0.542 1.00 0.00 C ATOM 239 O ASP A 14 -1.568 -3.929 -1.334 1.00 0.00 O ATOM 240 CB ASP A 14 -1.791 -5.142 1.628 1.00 0.00 C ATOM 241 CG ASP A 14 -3.306 -4.988 1.773 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.002 -5.966 1.300 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.797 -3.984 2.310 1.00 0.00 O ATOM 0 H ASP A 14 0.070 -6.759 1.391 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.156 -6.158 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.433 -5.814 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.324 -4.173 1.803 1.00 0.00 H new ATOM 248 N ASN A 15 0.486 -4.137 -0.335 1.00 0.00 N ATOM 249 CA ASN A 15 1.106 -3.030 -1.044 1.00 0.00 C ATOM 250 C ASN A 15 1.086 -3.320 -2.546 1.00 0.00 C ATOM 251 O ASN A 15 0.650 -2.445 -3.310 1.00 0.00 O ATOM 252 CB ASN A 15 2.563 -2.849 -0.616 1.00 0.00 C ATOM 253 CG ASN A 15 3.038 -1.420 -0.882 1.00 0.00 C ATOM 254 OD1 ASN A 15 2.897 -0.600 0.155 1.00 0.00 O flip ATOM 255 ND2 ASN A 15 3.503 -1.083 -1.959 1.00 0.00 N flip ATOM 0 H ASN A 15 1.105 -4.612 0.322 1.00 0.00 H new ATOM 0 HA ASN A 15 0.548 -2.123 -0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.666 -3.079 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.195 -3.553 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.584 -1.763 -2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.811 -0.121 -2.103 1.00 0.00 H new ATOM 262 N TYR A 16 1.550 -4.520 -2.935 1.00 0.00 N ATOM 263 CA TYR A 16 1.563 -4.855 -4.349 1.00 0.00 C ATOM 264 C TYR A 16 0.125 -4.926 -4.864 1.00 0.00 C ATOM 265 O TYR A 16 -0.102 -4.525 -6.016 1.00 0.00 O ATOM 266 CB TYR A 16 2.320 -6.176 -4.574 1.00 0.00 C ATOM 267 CG TYR A 16 3.537 -6.368 -3.679 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.304 -5.250 -3.281 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.902 -7.660 -3.236 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.431 -5.422 -2.450 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.029 -7.832 -2.403 1.00 0.00 C ATOM 272 CZ TYR A 16 5.795 -6.713 -2.010 1.00 0.00 C ATOM 273 OH TYR A 16 6.887 -6.876 -1.206 1.00 0.00 O ATOM 0 H TYR A 16 1.906 -5.243 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 16 2.087 -4.082 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.632 -7.006 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.639 -6.224 -5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.027 -4.261 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.317 -8.517 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.016 -4.565 -2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.305 -8.820 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 16 7.141 -7.822 -1.188 1.00 0.00 H new ATOM 283 N HIS A 17 -0.798 -5.433 -4.029 1.00 0.00 N ATOM 284 CA HIS A 17 -2.196 -5.560 -4.410 1.00 0.00 C ATOM 285 C HIS A 17 -2.817 -4.167 -4.529 1.00 0.00 C ATOM 286 O HIS A 17 -3.696 -3.985 -5.383 1.00 0.00 O ATOM 287 CB HIS A 17 -2.949 -6.464 -3.432 1.00 0.00 C ATOM 288 CG HIS A 17 -4.261 -5.890 -2.951 1.00 0.00 C ATOM 289 ND1 HIS A 17 -4.548 -5.103 -1.875 1.00 0.00 N flip ATOM 290 CD2 HIS A 17 -5.461 -6.112 -3.605 1.00 0.00 C flip ATOM 291 CE1 HIS A 17 -5.853 -4.854 -1.873 1.00 0.00 C flip ATOM 292 NE2 HIS A 17 -6.419 -5.481 -2.945 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.590 -5.760 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.271 -6.042 -5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.138 -7.424 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.312 -6.660 -2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.593 -6.700 -4.501 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.379 -4.255 -1.144 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.408 -5.466 -3.194 1.00 0.00 H new ATOM 300 N LEU A 18 -2.354 -3.227 -3.684 1.00 0.00 N ATOM 301 CA LEU A 18 -2.862 -1.866 -3.695 1.00 0.00 C ATOM 302 C LEU A 18 -2.251 -1.109 -4.876 1.00 0.00 C ATOM 303 O LEU A 18 -3.010 -0.485 -5.632 1.00 0.00 O ATOM 304 CB LEU A 18 -2.620 -1.193 -2.342 1.00 0.00 C ATOM 305 CG LEU A 18 -3.482 -1.693 -1.181 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.872 -1.296 0.165 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.926 -1.208 -1.321 1.00 0.00 C ATOM 0 H LEU A 18 -1.628 -3.398 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.943 -1.863 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.572 -1.327 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.786 -0.122 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.504 -2.782 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.504 -1.663 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.877 -1.731 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.800 -0.210 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.517 -1.578 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.945 -0.118 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.347 -1.582 -2.254 1.00 0.00 H new ATOM 319 N GLU A 19 -0.915 -1.177 -5.009 1.00 0.00 N ATOM 320 CA GLU A 19 -0.213 -0.503 -6.088 1.00 0.00 C ATOM 321 C GLU A 19 -0.733 -1.020 -7.431 1.00 0.00 C ATOM 322 O GLU A 19 -0.684 -0.265 -8.412 1.00 0.00 O ATOM 323 CB GLU A 19 1.301 -0.693 -5.978 1.00 0.00 C ATOM 324 CG GLU A 19 2.013 0.654 -5.827 1.00 0.00 C ATOM 325 CD GLU A 19 3.527 0.494 -5.977 1.00 0.00 C ATOM 326 OE1 GLU A 19 4.000 0.004 -7.014 1.00 0.00 O ATOM 327 OE2 GLU A 19 4.221 0.902 -4.969 1.00 0.00 O ATOM 0 H GLU A 19 -0.308 -1.696 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.406 0.567 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.530 -1.328 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.672 -1.207 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.641 1.352 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.784 1.083 -4.852 1.00 0.00 H new ATOM 334 N ASN A 20 -1.212 -2.277 -7.447 1.00 0.00 N ATOM 335 CA ASN A 20 -1.735 -2.885 -8.658 1.00 0.00 C ATOM 336 C ASN A 20 -3.078 -2.241 -9.009 1.00 0.00 C ATOM 337 O ASN A 20 -3.434 -2.228 -10.196 1.00 0.00 O ATOM 338 CB ASN A 20 -1.968 -4.385 -8.465 1.00 0.00 C ATOM 339 CG ASN A 20 -0.709 -5.184 -8.813 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.101 -4.788 -9.635 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.592 -6.328 -8.145 1.00 0.00 N ATOM 0 H ASN A 20 -1.242 -2.883 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.006 -2.732 -9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.255 -4.582 -7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.796 -4.712 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.213 -6.933 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.307 -6.600 -7.470 1.00 0.00 H new ATOM 348 N GLU A 21 -3.784 -1.727 -7.986 1.00 0.00 N ATOM 349 CA GLU A 21 -5.074 -1.088 -8.185 1.00 0.00 C ATOM 350 C GLU A 21 -4.861 0.397 -8.490 1.00 0.00 C ATOM 351 O GLU A 21 -5.605 0.941 -9.320 1.00 0.00 O ATOM 352 CB GLU A 21 -5.986 -1.272 -6.971 1.00 0.00 C ATOM 353 CG GLU A 21 -7.460 -1.207 -7.377 1.00 0.00 C ATOM 354 CD GLU A 21 -8.200 -0.131 -6.581 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.516 0.935 -6.336 1.00 0.00 O ATOM 356 OE2 GLU A 21 -9.372 -0.322 -6.221 1.00 0.00 O ATOM 0 H GLU A 21 -3.472 -1.748 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.572 -1.562 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.778 -2.231 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.774 -0.499 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.538 -0.994 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.930 -2.176 -7.210 1.00 0.00 H new ATOM 363 N VAL A 22 -3.866 1.011 -7.825 1.00 0.00 N ATOM 364 CA VAL A 22 -3.561 2.418 -8.024 1.00 0.00 C ATOM 365 C VAL A 22 -2.804 2.590 -9.342 1.00 0.00 C ATOM 366 O VAL A 22 -3.113 3.537 -10.081 1.00 0.00 O ATOM 367 CB VAL A 22 -2.793 2.962 -6.818 1.00 0.00 C ATOM 368 CG1 VAL A 22 -2.523 4.461 -6.971 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.538 2.669 -5.514 1.00 0.00 C ATOM 0 H VAL A 22 -3.265 0.544 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.479 3.001 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.831 2.451 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.976 4.823 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.931 4.634 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.470 4.995 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.970 3.067 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.521 3.140 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.655 1.592 -5.396 1.00 0.00 H new ATOM 379 N ALA A 23 -1.845 1.686 -9.608 1.00 0.00 N ATOM 380 CA ALA A 23 -1.053 1.738 -10.826 1.00 0.00 C ATOM 381 C ALA A 23 -1.965 1.498 -12.031 1.00 0.00 C ATOM 382 O ALA A 23 -1.575 1.868 -13.148 1.00 0.00 O ATOM 383 CB ALA A 23 -0.033 0.599 -10.825 1.00 0.00 C ATOM 0 H ALA A 23 -1.607 0.913 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.562 2.710 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.559 0.640 -11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.625 0.700 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.555 -0.357 -10.774 1.00 0.00 H new ATOM 389 N ARG A 24 -3.140 0.892 -11.786 1.00 0.00 N ATOM 390 CA ARG A 24 -4.094 0.608 -12.844 1.00 0.00 C ATOM 391 C ARG A 24 -5.124 1.736 -12.915 1.00 0.00 C ATOM 392 O ARG A 24 -5.847 1.814 -13.919 1.00 0.00 O ATOM 393 CB ARG A 24 -4.820 -0.719 -12.606 1.00 0.00 C ATOM 394 CG ARG A 24 -4.013 -1.893 -13.166 1.00 0.00 C ATOM 395 CD ARG A 24 -4.680 -3.228 -12.826 1.00 0.00 C ATOM 396 NE ARG A 24 -4.843 -4.038 -14.053 1.00 0.00 N ATOM 397 CZ ARG A 24 -3.993 -5.016 -14.433 1.00 0.00 C ATOM 398 NH1 ARG A 24 -2.929 -5.286 -13.665 1.00 0.00 N ATOM 399 NH2 ARG A 24 -4.211 -5.707 -15.561 1.00 0.00 N ATOM 0 H ARG A 24 -3.442 0.593 -10.859 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.544 0.533 -13.782 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.983 -0.862 -11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.802 -0.690 -13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.921 -1.793 -14.248 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.003 -1.872 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.076 -3.771 -12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.652 -3.052 -12.365 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.648 -3.846 -14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.771 -4.756 -12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.277 -6.022 -13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.024 -5.496 -16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.564 -6.444 -15.841 1.00 0.00 H new ATOM 413 N LEU A 25 -5.169 2.577 -11.865 1.00 0.00 N ATOM 414 CA LEU A 25 -6.101 3.690 -11.810 1.00 0.00 C ATOM 415 C LEU A 25 -5.372 4.980 -12.194 1.00 0.00 C ATOM 416 O LEU A 25 -5.985 5.829 -12.856 1.00 0.00 O ATOM 417 CB LEU A 25 -6.781 3.752 -10.440 1.00 0.00 C ATOM 418 CG LEU A 25 -7.873 2.712 -10.186 1.00 0.00 C ATOM 419 CD1 LEU A 25 -8.301 2.715 -8.717 1.00 0.00 C ATOM 420 CD2 LEU A 25 -9.059 2.920 -11.130 1.00 0.00 C ATOM 0 H LEU A 25 -4.564 2.496 -11.048 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.904 3.550 -12.533 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.016 3.642 -9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.216 4.744 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.462 1.725 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.078 1.967 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.442 2.481 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.687 3.699 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.821 2.167 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.479 3.913 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.723 2.828 -12.163 1.00 0.00 H new ATOM 432 N LYS A 26 -4.099 5.098 -11.777 1.00 0.00 N ATOM 433 CA LYS A 26 -3.297 6.273 -12.074 1.00 0.00 C ATOM 434 C LYS A 26 -3.235 6.472 -13.590 1.00 0.00 C ATOM 435 O LYS A 26 -3.094 7.623 -14.029 1.00 0.00 O ATOM 436 CB LYS A 26 -1.923 6.166 -11.411 1.00 0.00 C ATOM 437 CG LYS A 26 -2.057 5.897 -9.911 1.00 0.00 C ATOM 438 CD LYS A 26 -1.710 7.145 -9.096 1.00 0.00 C ATOM 439 CE LYS A 26 -0.596 7.948 -9.771 1.00 0.00 C ATOM 440 NZ LYS A 26 0.210 8.659 -8.764 1.00 0.00 N ATOM 0 H LYS A 26 -3.613 4.386 -11.233 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.759 7.166 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.351 5.364 -11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.366 7.089 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.076 5.582 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.398 5.077 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.597 7.769 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.397 6.854 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.042 7.280 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.028 8.663 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.961 9.199 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.399 9.310 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.638 7.970 -8.112 1.00 0.00 H new ATOM 454 N LYS A 27 -3.338 5.365 -14.347 1.00 0.00 N ATOM 455 CA LYS A 27 -3.293 5.419 -15.798 1.00 0.00 C ATOM 456 C LYS A 27 -4.527 6.161 -16.316 1.00 0.00 C ATOM 457 O LYS A 27 -4.549 6.510 -17.506 1.00 0.00 O ATOM 458 CB LYS A 27 -3.132 4.013 -16.381 1.00 0.00 C ATOM 459 CG LYS A 27 -2.132 4.010 -17.538 1.00 0.00 C ATOM 460 CD LYS A 27 -2.215 2.706 -18.334 1.00 0.00 C ATOM 461 CE LYS A 27 -3.589 2.551 -18.990 1.00 0.00 C ATOM 462 NZ LYS A 27 -3.946 3.771 -19.732 1.00 0.00 N ATOM 0 H LYS A 27 -3.453 4.426 -13.966 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.420 5.980 -16.131 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.794 3.329 -15.602 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.098 3.647 -16.730 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.331 4.855 -18.197 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.122 4.139 -17.150 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.439 2.693 -19.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.026 1.860 -17.674 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.581 1.696 -19.666 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.342 2.348 -18.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.708 3.557 -20.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.269 4.501 -19.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.113 4.119 -20.249 1.00 0.00 H new ATOM 476 N LEU A 28 -5.513 6.382 -15.428 1.00 0.00 N ATOM 477 CA LEU A 28 -6.736 7.077 -15.793 1.00 0.00 C ATOM 478 C LEU A 28 -6.729 8.475 -15.173 1.00 0.00 C ATOM 479 O LEU A 28 -7.289 9.395 -15.787 1.00 0.00 O ATOM 480 CB LEU A 28 -7.960 6.242 -15.412 1.00 0.00 C ATOM 481 CG LEU A 28 -9.003 6.037 -16.512 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.563 4.945 -17.488 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.382 5.750 -15.915 1.00 0.00 C ATOM 0 H LEU A 28 -5.475 6.084 -14.453 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.791 7.208 -16.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.617 5.263 -15.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.448 6.717 -14.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.085 6.963 -17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.322 4.819 -18.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.618 5.230 -17.951 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.434 4.006 -16.950 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.104 5.608 -16.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.334 4.847 -15.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.691 6.590 -15.293 1.00 0.00 H new ATOM 495 N VAL A 29 -6.105 8.605 -13.988 1.00 0.00 N ATOM 496 CA VAL A 29 -6.026 9.880 -13.296 1.00 0.00 C ATOM 497 C VAL A 29 -4.597 10.418 -13.387 1.00 0.00 C ATOM 498 O VAL A 29 -4.394 11.442 -14.056 1.00 0.00 O ATOM 499 CB VAL A 29 -6.515 9.723 -11.855 1.00 0.00 C ATOM 500 CG1 VAL A 29 -6.726 11.087 -11.195 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.793 8.883 -11.797 1.00 0.00 C ATOM 0 H VAL A 29 -5.651 7.834 -13.499 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.679 10.613 -13.770 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.742 9.196 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.074 10.946 -10.172 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.785 11.636 -11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.470 11.652 -11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.119 8.787 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.575 9.370 -12.380 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.597 7.893 -12.209 1.00 0.00 H new ATOM 511 N GLY A 30 -3.650 9.730 -12.723 1.00 0.00 N ATOM 512 CA GLY A 30 -2.256 10.136 -12.730 1.00 0.00 C ATOM 513 C GLY A 30 -1.790 10.320 -14.175 1.00 0.00 C ATOM 514 O GLY A 30 -0.691 10.859 -14.376 1.00 0.00 O ATOM 0 H GLY A 30 -3.838 8.889 -12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.134 11.066 -12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.644 9.384 -12.231 1.00 0.00 H new ATOM 518 N GLU A 31 -2.619 9.879 -15.137 1.00 0.00 N ATOM 519 CA GLU A 31 -2.294 9.996 -16.549 1.00 0.00 C ATOM 520 C GLU A 31 -2.129 11.474 -16.909 1.00 0.00 C ATOM 521 O GLU A 31 -2.586 12.325 -16.131 1.00 0.00 O ATOM 522 CB GLU A 31 -3.357 9.333 -17.427 1.00 0.00 C ATOM 523 CG GLU A 31 -2.711 8.432 -18.481 1.00 0.00 C ATOM 524 CD GLU A 31 -3.631 8.260 -19.693 1.00 0.00 C ATOM 525 OE1 GLU A 31 -4.202 9.341 -20.101 1.00 0.00 O ATOM 526 OE2 GLU A 31 -3.781 7.140 -20.204 1.00 0.00 O ATOM 0 H GLU A 31 -3.520 9.438 -14.950 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.356 9.473 -16.737 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.033 8.745 -16.806 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.959 10.098 -17.917 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.761 8.861 -18.799 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.491 7.457 -18.046 1.00 0.00 H new ATOM 533 N ARG A 32 -1.490 11.745 -18.061 1.00 0.00 N ATOM 534 CA ARG A 32 -1.269 13.107 -18.517 1.00 0.00 C ATOM 535 C ARG A 32 -2.037 13.335 -19.820 1.00 0.00 C ATOM 536 O ARG A 32 -3.113 12.775 -20.015 1.00 0.00 O ATOM 537 CB ARG A 32 0.216 13.388 -18.753 1.00 0.00 C ATOM 538 CG ARG A 32 0.987 12.090 -18.998 1.00 0.00 C ATOM 539 CD ARG A 32 2.457 12.243 -18.602 1.00 0.00 C ATOM 540 NE ARG A 32 2.904 13.634 -18.840 1.00 0.00 N ATOM 541 CZ ARG A 32 4.165 13.976 -19.183 1.00 0.00 C ATOM 542 NH1 ARG A 32 5.085 13.012 -19.322 1.00 0.00 N ATOM 543 NH2 ARG A 32 4.490 15.260 -19.380 1.00 0.00 N ATOM 0 H ARG A 32 -1.121 11.029 -18.687 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.624 13.785 -17.741 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.333 14.052 -19.610 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.634 13.906 -17.890 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.535 11.280 -18.425 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.917 11.814 -20.050 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.588 11.985 -17.551 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.071 11.551 -19.179 1.00 0.00 H new ATOM 0 HE ARG A 32 2.217 14.381 -18.739 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.829 12.037 -19.169 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.042 13.253 -19.581 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.783 15.987 -19.271 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.444 15.511 -19.639 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.489 -6.782 12.395 1.00 0.00 N ATOM 559 CA MET B 1 15.300 -6.546 13.196 1.00 0.00 C ATOM 560 C MET B 1 15.095 -5.040 13.368 1.00 0.00 C ATOM 561 O MET B 1 13.950 -4.582 13.239 1.00 0.00 O ATOM 562 CB MET B 1 15.446 -7.202 14.572 1.00 0.00 C ATOM 563 CG MET B 1 14.108 -7.765 15.056 1.00 0.00 C ATOM 564 SD MET B 1 13.999 -7.636 16.864 1.00 0.00 S ATOM 565 CE MET B 1 13.906 -9.398 17.300 1.00 0.00 C ATOM 0 H1 MET B 1 16.556 -7.793 12.163 1.00 0.00 H new ATOM 0 H2 MET B 1 16.432 -6.228 11.517 1.00 0.00 H new ATOM 0 H3 MET B 1 17.332 -6.494 12.932 1.00 0.00 H new ATOM 0 HA MET B 1 14.439 -6.981 12.688 1.00 0.00 H new ATOM 0 HB2 MET B 1 16.184 -8.002 14.521 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.818 -6.471 15.290 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.286 -7.219 14.594 1.00 0.00 H new ATOM 0 HG3 MET B 1 14.010 -8.807 14.751 1.00 0.00 H new ATOM 0 HE1 MET B 1 14.272 -9.541 18.317 1.00 0.00 H new ATOM 0 HE2 MET B 1 12.871 -9.734 17.236 1.00 0.00 H new ATOM 0 HE3 MET B 1 14.519 -9.977 16.609 1.00 0.00 H new ATOM 575 N ASP B 2 16.190 -4.312 13.651 1.00 0.00 N ATOM 576 CA ASP B 2 16.131 -2.872 13.838 1.00 0.00 C ATOM 577 C ASP B 2 15.430 -2.235 12.635 1.00 0.00 C ATOM 578 O ASP B 2 14.711 -1.244 12.829 1.00 0.00 O ATOM 579 CB ASP B 2 17.533 -2.272 13.942 1.00 0.00 C ATOM 580 CG ASP B 2 18.417 -2.879 15.032 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.081 -3.916 15.623 1.00 0.00 O ATOM 582 OD2 ASP B 2 19.508 -2.233 15.272 1.00 0.00 O ATOM 0 H ASP B 2 17.124 -4.709 13.753 1.00 0.00 H new ATOM 0 HA ASP B 2 15.586 -2.673 14.761 1.00 0.00 H new ATOM 0 HB2 ASP B 2 18.034 -2.390 12.981 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.441 -1.201 14.124 1.00 0.00 H new ATOM 587 N ALA B 3 15.651 -2.806 11.439 1.00 0.00 N ATOM 588 CA ALA B 3 15.047 -2.297 10.219 1.00 0.00 C ATOM 589 C ALA B 3 13.693 -2.977 10.004 1.00 0.00 C ATOM 590 O ALA B 3 12.890 -2.457 9.215 1.00 0.00 O ATOM 591 CB ALA B 3 15.913 -2.677 9.017 1.00 0.00 C ATOM 0 H ALA B 3 16.247 -3.622 11.302 1.00 0.00 H new ATOM 0 HA ALA B 3 14.946 -1.215 10.309 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.457 -2.294 8.104 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.907 -2.246 9.134 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.993 -3.762 8.955 1.00 0.00 H new ATOM 597 N ILE B 4 13.471 -4.109 10.697 1.00 0.00 N ATOM 598 CA ILE B 4 12.226 -4.850 10.583 1.00 0.00 C ATOM 599 C ILE B 4 11.120 -4.100 11.327 1.00 0.00 C ATOM 600 O ILE B 4 10.028 -3.944 10.761 1.00 0.00 O ATOM 601 CB ILE B 4 12.417 -6.293 11.055 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.473 -7.010 10.211 1.00 0.00 C ATOM 603 CG2 ILE B 4 11.085 -7.046 11.068 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.999 -8.410 9.813 1.00 0.00 C ATOM 0 H ILE B 4 14.147 -4.522 11.340 1.00 0.00 H new ATOM 0 HA ILE B 4 11.917 -4.918 9.540 1.00 0.00 H new ATOM 0 HB ILE B 4 12.785 -6.272 12.081 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.686 -6.426 9.316 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.404 -7.083 10.773 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.249 -8.069 11.407 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.391 -6.546 11.744 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.665 -7.060 10.062 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.768 -8.898 9.214 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.810 -8.999 10.710 1.00 0.00 H new ATOM 0 HD13 ILE B 4 12.081 -8.331 9.231 1.00 0.00 H new ATOM 616 N LYS B 5 11.418 -3.658 12.563 1.00 0.00 N ATOM 617 CA LYS B 5 10.456 -2.934 13.374 1.00 0.00 C ATOM 618 C LYS B 5 9.942 -1.724 12.590 1.00 0.00 C ATOM 619 O LYS B 5 8.767 -1.368 12.759 1.00 0.00 O ATOM 620 CB LYS B 5 11.064 -2.572 14.731 1.00 0.00 C ATOM 621 CG LYS B 5 12.590 -2.499 14.646 1.00 0.00 C ATOM 622 CD LYS B 5 13.146 -1.484 15.646 1.00 0.00 C ATOM 623 CE LYS B 5 13.432 -2.143 16.997 1.00 0.00 C ATOM 624 NZ LYS B 5 13.294 -1.164 18.088 1.00 0.00 N ATOM 0 H LYS B 5 12.324 -3.797 13.011 1.00 0.00 H new ATOM 0 HA LYS B 5 9.593 -3.563 13.593 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.669 -1.613 15.067 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.773 -3.315 15.474 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.016 -3.482 14.845 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.889 -2.221 13.635 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.062 -1.044 15.251 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.433 -0.671 15.778 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.744 -2.973 17.156 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.439 -2.559 16.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.491 -1.628 18.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 13.968 -0.385 17.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.325 -0.786 18.095 1.00 0.00 H new ATOM 638 N LYS B 6 10.817 -1.128 11.761 1.00 0.00 N ATOM 639 CA LYS B 6 10.453 0.028 10.959 1.00 0.00 C ATOM 640 C LYS B 6 9.885 -0.442 9.620 1.00 0.00 C ATOM 641 O LYS B 6 9.068 0.286 9.037 1.00 0.00 O ATOM 642 CB LYS B 6 11.643 0.981 10.822 1.00 0.00 C ATOM 643 CG LYS B 6 12.392 1.118 12.149 1.00 0.00 C ATOM 644 CD LYS B 6 13.539 2.124 12.030 1.00 0.00 C ATOM 645 CE LYS B 6 13.598 3.036 13.256 1.00 0.00 C ATOM 646 NZ LYS B 6 13.214 4.411 12.894 1.00 0.00 N ATOM 0 H LYS B 6 11.781 -1.437 11.637 1.00 0.00 H new ATOM 0 HA LYS B 6 9.669 0.602 11.453 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.322 0.612 10.053 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.293 1.960 10.495 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.702 1.439 12.929 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.785 0.147 12.451 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.484 1.592 11.922 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.408 2.726 11.131 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.931 2.658 14.031 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.605 3.031 13.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 13.259 5.018 13.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 13.867 4.775 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 12.244 4.413 12.518 1.00 0.00 H new ATOM 660 N LYS B 7 10.319 -1.631 9.165 1.00 0.00 N ATOM 661 CA LYS B 7 9.857 -2.190 7.907 1.00 0.00 C ATOM 662 C LYS B 7 8.330 -2.277 7.923 1.00 0.00 C ATOM 663 O LYS B 7 7.704 -1.837 6.946 1.00 0.00 O ATOM 664 CB LYS B 7 10.546 -3.529 7.630 1.00 0.00 C ATOM 665 CG LYS B 7 10.080 -4.120 6.298 1.00 0.00 C ATOM 666 CD LYS B 7 9.999 -3.041 5.217 1.00 0.00 C ATOM 667 CE LYS B 7 10.191 -3.644 3.824 1.00 0.00 C ATOM 668 NZ LYS B 7 10.489 -2.589 2.842 1.00 0.00 N ATOM 0 H LYS B 7 10.992 -2.216 9.661 1.00 0.00 H new ATOM 0 HA LYS B 7 10.131 -1.539 7.077 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.627 -3.389 7.612 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.329 -4.228 8.438 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.769 -4.904 5.983 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.103 -4.586 6.425 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.032 -2.540 5.270 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.761 -2.283 5.397 1.00 0.00 H new ATOM 0 HE2 LYS B 7 11.004 -4.370 3.844 1.00 0.00 H new ATOM 0 HE3 LYS B 7 9.291 -4.182 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 10.616 -3.016 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 9.701 -1.911 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 11.361 -2.094 3.118 1.00 0.00 H new ATOM 682 N MET B 8 7.769 -2.833 9.012 1.00 0.00 N ATOM 683 CA MET B 8 6.330 -2.973 9.149 1.00 0.00 C ATOM 684 C MET B 8 5.693 -1.586 9.261 1.00 0.00 C ATOM 685 O MET B 8 4.512 -1.448 8.910 1.00 0.00 O ATOM 686 CB MET B 8 5.991 -3.792 10.397 1.00 0.00 C ATOM 687 CG MET B 8 6.726 -3.249 11.624 1.00 0.00 C ATOM 688 SD MET B 8 5.531 -2.809 12.920 1.00 0.00 S ATOM 689 CE MET B 8 5.827 -4.161 14.096 1.00 0.00 C ATOM 0 H MET B 8 8.302 -3.190 9.805 1.00 0.00 H new ATOM 0 HA MET B 8 5.940 -3.489 8.272 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.915 -3.767 10.572 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.264 -4.835 10.237 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.424 -3.997 12.000 1.00 0.00 H new ATOM 0 HG3 MET B 8 7.314 -2.374 11.348 1.00 0.00 H new ATOM 0 HE1 MET B 8 5.291 -3.960 15.024 1.00 0.00 H new ATOM 0 HE2 MET B 8 5.473 -5.099 13.669 1.00 0.00 H new ATOM 0 HE3 MET B 8 6.895 -4.236 14.302 1.00 0.00 H new ATOM 699 N GLN B 9 6.476 -0.602 9.740 1.00 0.00 N ATOM 700 CA GLN B 9 5.993 0.759 9.895 1.00 0.00 C ATOM 701 C GLN B 9 6.008 1.460 8.534 1.00 0.00 C ATOM 702 O GLN B 9 5.243 2.419 8.356 1.00 0.00 O ATOM 703 CB GLN B 9 6.820 1.536 10.920 1.00 0.00 C ATOM 704 CG GLN B 9 6.542 1.038 12.340 1.00 0.00 C ATOM 705 CD GLN B 9 6.967 2.077 13.379 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.352 3.119 13.541 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.050 1.738 14.073 1.00 0.00 N ATOM 0 H GLN B 9 7.446 -0.737 10.024 1.00 0.00 H new ATOM 0 HA GLN B 9 4.971 0.725 10.272 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.881 1.428 10.694 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.586 2.598 10.851 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.480 0.821 12.451 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.078 0.105 12.513 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.518 0.851 13.888 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.413 2.365 14.791 1.00 0.00 H new ATOM 716 N MET B 10 6.865 0.976 7.617 1.00 0.00 N ATOM 717 CA MET B 10 6.977 1.552 6.288 1.00 0.00 C ATOM 718 C MET B 10 5.843 1.020 5.409 1.00 0.00 C ATOM 719 O MET B 10 5.293 1.801 4.619 1.00 0.00 O ATOM 720 CB MET B 10 8.323 1.186 5.660 1.00 0.00 C ATOM 721 CG MET B 10 9.473 1.455 6.635 1.00 0.00 C ATOM 722 SD MET B 10 10.717 2.520 5.849 1.00 0.00 S ATOM 723 CE MET B 10 9.841 4.111 5.887 1.00 0.00 C ATOM 0 H MET B 10 7.487 0.185 7.784 1.00 0.00 H new ATOM 0 HA MET B 10 6.909 2.637 6.365 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.322 0.134 5.375 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.472 1.763 4.748 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.091 1.932 7.538 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.929 0.514 6.941 1.00 0.00 H new ATOM 0 HE1 MET B 10 10.468 4.882 5.439 1.00 0.00 H new ATOM 0 HE2 MET B 10 8.911 4.028 5.325 1.00 0.00 H new ATOM 0 HE3 MET B 10 9.618 4.379 6.920 1.00 0.00 H new ATOM 733 N LEU B 11 5.521 -0.277 5.563 1.00 0.00 N ATOM 734 CA LEU B 11 4.462 -0.904 4.789 1.00 0.00 C ATOM 735 C LEU B 11 3.105 -0.494 5.363 1.00 0.00 C ATOM 736 O LEU B 11 2.125 -0.475 4.604 1.00 0.00 O ATOM 737 CB LEU B 11 4.671 -2.419 4.726 1.00 0.00 C ATOM 738 CG LEU B 11 6.017 -2.888 4.169 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.385 -4.269 4.716 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.016 -2.859 2.639 1.00 0.00 C ATOM 0 H LEU B 11 5.986 -0.903 6.220 1.00 0.00 H new ATOM 0 HA LEU B 11 4.489 -0.558 3.756 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.555 -2.824 5.731 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.878 -2.850 4.116 1.00 0.00 H new ATOM 0 HG LEU B 11 6.787 -2.193 4.504 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.346 -4.579 4.305 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.453 -4.223 5.803 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.619 -4.989 4.431 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.984 -3.197 2.268 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.233 -3.518 2.263 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.830 -1.842 2.294 1.00 0.00 H new ATOM 752 N LYS B 12 3.074 -0.178 6.670 1.00 0.00 N ATOM 753 CA LYS B 12 1.848 0.227 7.335 1.00 0.00 C ATOM 754 C LYS B 12 1.527 1.677 6.966 1.00 0.00 C ATOM 755 O LYS B 12 0.337 2.014 6.878 1.00 0.00 O ATOM 756 CB LYS B 12 1.951 -0.014 8.843 1.00 0.00 C ATOM 757 CG LYS B 12 1.555 -1.450 9.197 1.00 0.00 C ATOM 758 CD LYS B 12 0.256 -1.475 10.005 1.00 0.00 C ATOM 759 CE LYS B 12 -0.961 -1.587 9.083 1.00 0.00 C ATOM 760 NZ LYS B 12 -1.971 -2.483 9.671 1.00 0.00 N ATOM 0 H LYS B 12 3.893 -0.199 7.278 1.00 0.00 H new ATOM 0 HA LYS B 12 1.011 -0.383 6.994 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.971 0.179 9.177 1.00 0.00 H new ATOM 0 HB3 LYS B 12 1.305 0.686 9.372 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.431 -2.033 8.284 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.354 -1.921 9.770 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.271 -2.316 10.698 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.180 -0.569 10.606 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.393 -0.600 8.919 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.653 -1.966 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -2.790 -2.548 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -1.560 -3.429 9.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -2.277 -2.105 10.590 1.00 0.00 H new ATOM 774 N LEU B 13 2.577 2.492 6.761 1.00 0.00 N ATOM 775 CA LEU B 13 2.408 3.891 6.404 1.00 0.00 C ATOM 776 C LEU B 13 1.989 3.991 4.936 1.00 0.00 C ATOM 777 O LEU B 13 1.061 4.756 4.639 1.00 0.00 O ATOM 778 CB LEU B 13 3.671 4.686 6.740 1.00 0.00 C ATOM 779 CG LEU B 13 3.505 6.205 6.825 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.810 6.919 6.471 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.338 6.678 5.955 1.00 0.00 C ATOM 0 H LEU B 13 3.549 2.194 6.839 1.00 0.00 H new ATOM 0 HA LEU B 13 1.610 4.342 6.994 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.058 4.329 7.694 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.427 4.465 5.987 1.00 0.00 H new ATOM 0 HG LEU B 13 3.265 6.466 7.856 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.665 7.997 6.539 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.592 6.613 7.166 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.105 6.656 5.455 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.241 7.761 6.033 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.524 6.404 4.916 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.416 6.206 6.295 1.00 0.00 H new ATOM 793 N ASP B 14 2.671 3.229 4.062 1.00 0.00 N ATOM 794 CA ASP B 14 2.373 3.233 2.640 1.00 0.00 C ATOM 795 C ASP B 14 0.940 2.739 2.423 1.00 0.00 C ATOM 796 O ASP B 14 0.295 3.205 1.473 1.00 0.00 O ATOM 797 CB ASP B 14 3.315 2.300 1.877 1.00 0.00 C ATOM 798 CG ASP B 14 3.824 2.846 0.541 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.815 3.591 0.492 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.150 2.474 -0.492 1.00 0.00 O ATOM 0 H ASP B 14 3.432 2.605 4.328 1.00 0.00 H new ATOM 0 HA ASP B 14 2.498 4.251 2.272 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.173 2.076 2.511 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.799 1.357 1.694 1.00 0.00 H new ATOM 805 N ASN B 15 0.482 1.822 3.293 1.00 0.00 N ATOM 806 CA ASN B 15 -0.860 1.272 3.196 1.00 0.00 C ATOM 807 C ASN B 15 -1.881 2.390 3.419 1.00 0.00 C ATOM 808 O ASN B 15 -2.796 2.526 2.594 1.00 0.00 O ATOM 809 CB ASN B 15 -1.093 0.199 4.262 1.00 0.00 C ATOM 810 CG ASN B 15 -2.142 -0.814 3.798 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.328 -0.681 4.055 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.641 -1.830 3.102 1.00 0.00 N ATOM 0 H ASN B 15 1.031 1.452 4.069 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.973 0.828 2.207 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.156 -0.315 4.477 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.420 0.668 5.190 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.260 -2.559 2.747 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.638 -1.880 2.923 1.00 0.00 H new ATOM 819 N TYR B 16 -1.707 3.155 4.512 1.00 0.00 N ATOM 820 CA TYR B 16 -2.646 4.231 4.783 1.00 0.00 C ATOM 821 C TYR B 16 -2.603 5.240 3.634 1.00 0.00 C ATOM 822 O TYR B 16 -3.653 5.830 3.338 1.00 0.00 O ATOM 823 CB TYR B 16 -2.321 4.888 6.137 1.00 0.00 C ATOM 824 CG TYR B 16 -2.013 3.905 7.258 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.663 2.651 7.309 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.076 4.248 8.260 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.377 1.744 8.352 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.789 3.341 9.303 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.438 2.088 9.350 1.00 0.00 C ATOM 830 OH TYR B 16 -1.157 1.214 10.361 1.00 0.00 O ATOM 0 H TYR B 16 -0.953 3.047 5.191 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.659 3.835 4.850 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.466 5.552 6.008 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.165 5.509 6.437 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.381 2.386 6.547 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.579 5.206 8.227 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.876 0.787 8.387 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.072 3.606 10.066 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.489 1.609 10.959 1.00 0.00 H new ATOM 840 N HIS B 17 -1.416 5.426 3.029 1.00 0.00 N ATOM 841 CA HIS B 17 -1.250 6.366 1.933 1.00 0.00 C ATOM 842 C HIS B 17 -1.904 5.795 0.674 1.00 0.00 C ATOM 843 O HIS B 17 -2.458 6.580 -0.110 1.00 0.00 O ATOM 844 CB HIS B 17 0.227 6.713 1.729 1.00 0.00 C ATOM 845 CG HIS B 17 0.676 6.661 0.288 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.667 7.771 -0.539 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.148 5.625 -0.462 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.115 7.406 -1.732 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.411 6.075 -1.682 1.00 0.00 N ATOM 0 H HIS B 17 -0.563 4.931 3.290 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.750 7.304 2.172 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.412 7.713 2.121 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.836 6.024 2.314 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.285 4.610 -0.121 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.226 8.049 -2.592 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.775 5.518 -2.455 1.00 0.00 H new ATOM 857 N LEU B 18 -1.829 4.463 0.507 1.00 0.00 N ATOM 858 CA LEU B 18 -2.411 3.798 -0.646 1.00 0.00 C ATOM 859 C LEU B 18 -3.936 3.820 -0.528 1.00 0.00 C ATOM 860 O LEU B 18 -4.605 3.977 -1.559 1.00 0.00 O ATOM 861 CB LEU B 18 -1.826 2.392 -0.806 1.00 0.00 C ATOM 862 CG LEU B 18 -0.399 2.317 -1.353 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.186 0.915 -1.167 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.349 2.770 -2.814 1.00 0.00 C ATOM 0 H LEU B 18 -1.367 3.834 1.164 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.155 4.331 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.848 1.898 0.166 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.478 1.822 -1.468 1.00 0.00 H new ATOM 0 HG LEU B 18 0.224 3.004 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.201 0.889 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.205 0.666 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.431 0.190 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.676 2.707 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.989 2.126 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.698 3.800 -2.888 1.00 0.00 H new ATOM 876 N GLU B 19 -4.446 3.663 0.707 1.00 0.00 N ATOM 877 CA GLU B 19 -5.877 3.664 0.955 1.00 0.00 C ATOM 878 C GLU B 19 -6.439 5.058 0.664 1.00 0.00 C ATOM 879 O GLU B 19 -7.436 5.151 -0.066 1.00 0.00 O ATOM 880 CB GLU B 19 -6.200 3.231 2.386 1.00 0.00 C ATOM 881 CG GLU B 19 -7.497 2.418 2.433 1.00 0.00 C ATOM 882 CD GLU B 19 -8.707 3.330 2.646 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.772 4.422 2.063 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.603 2.867 3.452 1.00 0.00 O ATOM 0 H GLU B 19 -3.876 3.534 1.543 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.348 2.939 0.291 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.378 2.635 2.784 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.294 4.110 3.023 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.616 1.861 1.503 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.443 1.686 3.238 1.00 0.00 H new ATOM 891 N ASN B 20 -5.799 6.096 1.232 1.00 0.00 N ATOM 892 CA ASN B 20 -6.232 7.468 1.034 1.00 0.00 C ATOM 893 C ASN B 20 -6.113 7.828 -0.448 1.00 0.00 C ATOM 894 O ASN B 20 -6.925 8.634 -0.926 1.00 0.00 O ATOM 895 CB ASN B 20 -5.357 8.441 1.828 1.00 0.00 C ATOM 896 CG ASN B 20 -5.896 8.630 3.248 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.959 9.185 3.467 1.00 0.00 O ATOM 898 ND2 ASN B 20 -5.104 8.137 4.196 1.00 0.00 N ATOM 0 H ASN B 20 -4.979 5.998 1.831 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.264 7.548 1.376 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.335 8.065 1.870 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.322 9.403 1.318 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.375 8.212 5.177 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.226 7.684 3.942 1.00 0.00 H new ATOM 905 N GLU B 21 -5.121 7.233 -1.135 1.00 0.00 N ATOM 906 CA GLU B 21 -4.902 7.490 -2.548 1.00 0.00 C ATOM 907 C GLU B 21 -5.909 6.684 -3.370 1.00 0.00 C ATOM 908 O GLU B 21 -6.277 7.140 -4.463 1.00 0.00 O ATOM 909 CB GLU B 21 -3.466 7.159 -2.963 1.00 0.00 C ATOM 910 CG GLU B 21 -3.171 7.675 -4.373 1.00 0.00 C ATOM 911 CD GLU B 21 -2.401 8.996 -4.324 1.00 0.00 C ATOM 912 OE1 GLU B 21 -2.794 9.823 -3.415 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.478 9.205 -5.123 1.00 0.00 O ATOM 0 H GLU B 21 -4.463 6.571 -0.723 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.051 8.553 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.767 7.604 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.312 6.080 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.592 6.933 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.106 7.815 -4.916 1.00 0.00 H new ATOM 920 N VAL B 22 -6.329 5.522 -2.839 1.00 0.00 N ATOM 921 CA VAL B 22 -7.285 4.665 -3.518 1.00 0.00 C ATOM 922 C VAL B 22 -8.693 5.236 -3.340 1.00 0.00 C ATOM 923 O VAL B 22 -9.448 5.257 -4.322 1.00 0.00 O ATOM 924 CB VAL B 22 -7.153 3.228 -3.009 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.490 2.489 -3.101 1.00 0.00 C ATOM 926 CG2 VAL B 22 -6.058 2.475 -3.766 1.00 0.00 C ATOM 0 H VAL B 22 -6.013 5.164 -1.938 1.00 0.00 H new ATOM 0 HA VAL B 22 -7.080 4.637 -4.588 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.864 3.271 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.369 1.470 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -9.234 3.007 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.821 2.463 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.986 1.457 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.303 2.448 -4.828 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -5.104 2.983 -3.627 1.00 0.00 H new ATOM 936 N ALA B 23 -9.012 5.679 -2.112 1.00 0.00 N ATOM 937 CA ALA B 23 -10.317 6.244 -1.811 1.00 0.00 C ATOM 938 C ALA B 23 -10.458 7.594 -2.518 1.00 0.00 C ATOM 939 O ALA B 23 -11.595 8.069 -2.661 1.00 0.00 O ATOM 940 CB ALA B 23 -10.421 6.531 -0.312 1.00 0.00 C ATOM 0 H ALA B 23 -8.374 5.652 -1.316 1.00 0.00 H new ATOM 0 HA ALA B 23 -11.082 5.538 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.400 6.954 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.292 5.604 0.246 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.645 7.240 -0.023 1.00 0.00 H new ATOM 946 N ARG B 24 -9.320 8.176 -2.938 1.00 0.00 N ATOM 947 CA ARG B 24 -9.317 9.457 -3.622 1.00 0.00 C ATOM 948 C ARG B 24 -9.336 9.225 -5.133 1.00 0.00 C ATOM 949 O ARG B 24 -9.791 10.117 -5.863 1.00 0.00 O ATOM 950 CB ARG B 24 -8.087 10.290 -3.255 1.00 0.00 C ATOM 951 CG ARG B 24 -8.403 11.264 -2.119 1.00 0.00 C ATOM 952 CD ARG B 24 -8.770 10.513 -0.838 1.00 0.00 C ATOM 953 NE ARG B 24 -9.948 11.142 -0.201 1.00 0.00 N ATOM 954 CZ ARG B 24 -10.534 10.686 0.927 1.00 0.00 C ATOM 955 NH1 ARG B 24 -10.031 9.597 1.524 1.00 0.00 N ATOM 956 NH2 ARG B 24 -11.600 11.313 1.442 1.00 0.00 N ATOM 0 H ARG B 24 -8.394 7.768 -2.809 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.205 10.007 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.272 9.630 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.745 10.844 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.541 11.905 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.227 11.915 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -8.985 9.469 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.926 10.520 -0.148 1.00 0.00 H new ATOM 0 HE ARG B 24 -10.343 11.973 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -9.218 9.127 1.126 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -10.461 9.238 2.377 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -11.976 12.142 0.982 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -12.036 10.961 2.294 1.00 0.00 H new ATOM 970 N LEU B 25 -8.847 8.048 -5.567 1.00 0.00 N ATOM 971 CA LEU B 25 -8.808 7.705 -6.978 1.00 0.00 C ATOM 972 C LEU B 25 -10.135 7.058 -7.379 1.00 0.00 C ATOM 973 O LEU B 25 -10.614 7.332 -8.490 1.00 0.00 O ATOM 974 CB LEU B 25 -7.584 6.838 -7.284 1.00 0.00 C ATOM 975 CG LEU B 25 -6.250 7.576 -7.399 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.079 6.592 -7.432 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.244 8.515 -8.606 1.00 0.00 C ATOM 0 H LEU B 25 -8.476 7.326 -4.950 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.695 8.603 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.493 6.084 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.764 6.307 -8.219 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.125 8.194 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.142 7.144 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.074 6.002 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.186 5.928 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.284 9.027 -8.664 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.403 7.938 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.041 9.250 -8.499 1.00 0.00 H new ATOM 989 N LYS B 26 -10.695 6.227 -6.482 1.00 0.00 N ATOM 990 CA LYS B 26 -11.955 5.550 -6.740 1.00 0.00 C ATOM 991 C LYS B 26 -13.066 6.590 -6.891 1.00 0.00 C ATOM 992 O LYS B 26 -14.067 6.291 -7.558 1.00 0.00 O ATOM 993 CB LYS B 26 -12.233 4.505 -5.658 1.00 0.00 C ATOM 994 CG LYS B 26 -12.158 3.089 -6.232 1.00 0.00 C ATOM 995 CD LYS B 26 -10.980 2.950 -7.198 1.00 0.00 C ATOM 996 CE LYS B 26 -11.454 2.996 -8.652 1.00 0.00 C ATOM 997 NZ LYS B 26 -11.404 1.653 -9.253 1.00 0.00 N ATOM 0 H LYS B 26 -10.285 6.015 -5.573 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.906 4.998 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.510 4.612 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.220 4.675 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.054 2.369 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -13.087 2.853 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.263 3.751 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.461 2.010 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.472 3.383 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.827 3.680 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.597 1.722 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.460 1.242 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.119 1.045 -8.805 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.872 7.773 -6.280 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.851 8.844 -6.347 1.00 0.00 C ATOM 1013 C LYS B 27 -13.708 9.578 -7.682 1.00 0.00 C ATOM 1014 O LYS B 27 -14.597 10.374 -8.015 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.728 9.759 -5.126 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.105 10.100 -4.556 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.305 11.615 -4.473 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.605 12.193 -3.242 1.00 0.00 C ATOM 1019 NZ LYS B 27 -14.063 13.530 -3.537 1.00 0.00 N ATOM 0 H LYS B 27 -12.040 8.000 -5.736 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.862 8.438 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.124 9.271 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.209 10.676 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.881 9.661 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.211 9.661 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.913 12.087 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.370 11.843 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.309 12.254 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.800 11.529 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.591 13.908 -2.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -13.376 13.462 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.838 14.166 -3.814 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.611 9.300 -8.407 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.356 9.929 -9.693 1.00 0.00 C ATOM 1035 C LEU B 28 -12.618 8.918 -10.811 1.00 0.00 C ATOM 1036 O LEU B 28 -13.083 9.331 -11.883 1.00 0.00 O ATOM 1037 CB LEU B 28 -10.952 10.533 -9.726 1.00 0.00 C ATOM 1038 CG LEU B 28 -10.855 11.980 -10.213 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.079 12.962 -9.062 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.525 12.229 -10.928 1.00 0.00 C ATOM 0 H LEU B 28 -11.891 8.640 -8.114 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.039 10.763 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.532 10.480 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.326 9.912 -10.367 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.649 12.150 -10.940 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.005 13.983 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.069 12.803 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.323 12.801 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.481 13.265 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -8.701 12.035 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.444 11.564 -11.788 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.318 7.634 -10.544 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.519 6.577 -11.520 1.00 0.00 C ATOM 1054 C VAL B 29 -13.709 5.714 -11.094 1.00 0.00 C ATOM 1055 O VAL B 29 -14.682 5.632 -11.858 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.229 5.774 -11.695 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.299 4.889 -12.942 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.011 6.697 -11.746 1.00 0.00 C ATOM 0 H VAL B 29 -11.935 7.315 -9.654 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.758 6.999 -12.496 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.120 5.123 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.369 4.329 -13.043 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.133 4.194 -12.848 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.444 5.513 -13.824 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.107 6.100 -11.871 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.111 7.385 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.946 7.265 -10.818 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.609 5.097 -9.902 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.668 4.249 -9.383 1.00 0.00 C ATOM 1070 C GLY B 30 -15.937 5.083 -9.197 1.00 0.00 C ATOM 1071 O GLY B 30 -16.961 4.516 -8.788 1.00 0.00 O ATOM 0 H GLY B 30 -12.799 5.178 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.858 3.424 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.365 3.810 -8.433 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.847 6.391 -9.497 1.00 0.00 N ATOM 1076 CA GLU B 31 -16.981 7.292 -9.363 1.00 0.00 C ATOM 1077 C GLU B 31 -18.183 6.703 -10.102 1.00 0.00 C ATOM 1078 O GLU B 31 -17.992 5.757 -10.881 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.650 8.692 -9.882 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.142 8.874 -11.319 1.00 0.00 C ATOM 1081 CD GLU B 31 -16.408 7.930 -12.273 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -15.182 8.033 -12.428 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -17.158 7.064 -12.866 1.00 0.00 O ATOM 0 H GLU B 31 -14.994 6.838 -9.834 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.224 7.395 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.111 9.441 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -15.573 8.855 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -18.214 8.684 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.987 9.906 -11.632 1.00 0.00 H new ATOM 1090 N ARG B 32 -19.380 7.263 -9.848 1.00 0.00 N ATOM 1091 CA ARG B 32 -20.600 6.796 -10.485 1.00 0.00 C ATOM 1092 C ARG B 32 -20.339 6.575 -11.977 1.00 0.00 C ATOM 1093 O ARG B 32 -21.223 6.795 -12.803 1.00 0.00 O ATOM 1094 CB ARG B 32 -21.743 7.800 -10.318 1.00 0.00 C ATOM 1095 CG ARG B 32 -21.562 8.629 -9.045 1.00 0.00 C ATOM 1096 CD ARG B 32 -21.444 7.727 -7.815 1.00 0.00 C ATOM 1097 NE ARG B 32 -22.286 6.522 -7.990 1.00 0.00 N ATOM 1098 CZ ARG B 32 -21.879 5.266 -7.698 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -20.641 5.078 -7.222 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -22.702 4.225 -7.885 1.00 0.00 N ATOM 0 H ARG B 32 -19.516 8.041 -9.203 1.00 0.00 H new ATOM 0 HA ARG B 32 -20.895 5.862 -10.006 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -21.781 8.461 -11.184 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -22.695 7.270 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -20.669 9.248 -9.134 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -22.408 9.306 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -20.404 7.436 -7.665 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -21.754 8.271 -6.923 1.00 0.00 H new ATOM 0 HE ARG B 32 -23.231 6.647 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -20.021 5.876 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -20.319 4.137 -6.997 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -23.642 4.377 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -22.388 3.280 -7.663 1.00 0.00 H new TER 1114 ARG B 32