USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 798 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 18 ASN : amide:sc= 1.16 K(o=3.2,f=1.2) USER MOD Set 1.2: A 87 ASN : amide:sc= 1.99 K(o=3.2,f=1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.827 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= -0.959 (180deg=-2.82!) USER MOD Single : A 33 HIS : no HD1:sc= -0.233 K(o=-0.22,f=-2.4!) USER MOD Single : A 35 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 36 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.078) USER MOD Single : A 44 THR OG1 : rot 95:sc= 1.05 USER MOD Single : A 46 ASN : amide:sc= -0.863 K(o=-0.86,f=-3.4) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= -0.0086 (180deg=-0.096) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= -1.22 (180deg=-1.66) USER MOD Single : A 58 THR OG1 : rot 59:sc= 1.25 USER MOD Single : A 60 SER OG : rot -140:sc= 0.885 USER MOD Single : A 67 SER OG : rot 71:sc= 0.515 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -1.13 F(o=-3!,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0898) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 100 LYS NZ :NH3+ 149:sc= 0.244 (180deg=-0.282!) USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.09) USER MOD Single : A 106 GLN : amide:sc= -2.5 K(o=-2.5,f=-7.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc=-0.00514 K(o=-0.0051,f=-0.88) USER MOD Single : A 112 SER OG : rot 71:sc= 0.896 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 12.393 12.056 1.080 1.00 0.00 N ATOM 2 CA ASN A 18 13.074 10.774 0.908 1.00 0.00 C ATOM 3 C ASN A 18 12.497 10.072 -0.272 1.00 0.00 C ATOM 4 O ASN A 18 11.289 10.125 -0.490 1.00 0.00 O ATOM 5 CB ASN A 18 12.934 9.892 2.153 1.00 0.00 C ATOM 6 CG ASN A 18 13.790 10.350 3.308 1.00 0.00 C ATOM 7 OD1 ASN A 18 13.407 11.226 4.079 1.00 0.00 O ATOM 8 ND2 ASN A 18 14.926 9.729 3.473 1.00 0.00 N ATOM 0 HA ASN A 18 14.136 10.965 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.890 9.880 2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.201 8.867 1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.527 9.966 4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.213 9.006 2.813 1.00 0.00 H new ATOM 17 N THR A 19 13.335 9.399 -1.028 1.00 0.00 N ATOM 18 CA THR A 19 12.902 8.730 -2.235 1.00 0.00 C ATOM 19 C THR A 19 11.877 7.614 -1.922 1.00 0.00 C ATOM 20 O THR A 19 10.896 7.432 -2.648 1.00 0.00 O ATOM 21 CB THR A 19 14.130 8.146 -2.969 1.00 0.00 C ATOM 22 OG1 THR A 19 15.151 9.166 -3.045 1.00 0.00 O ATOM 23 CG2 THR A 19 13.760 7.722 -4.376 1.00 0.00 C ATOM 0 H THR A 19 14.330 9.300 -0.826 1.00 0.00 H new ATOM 0 HA THR A 19 12.408 9.459 -2.878 1.00 0.00 H new ATOM 0 HB THR A 19 14.490 7.275 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 19 15.937 8.808 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.638 7.314 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.980 6.962 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.395 8.585 -4.932 1.00 0.00 H new ATOM 31 N ALA A 20 12.072 6.947 -0.796 1.00 0.00 N ATOM 32 CA ALA A 20 11.225 5.833 -0.391 1.00 0.00 C ATOM 33 C ALA A 20 9.790 6.281 -0.101 1.00 0.00 C ATOM 34 O ALA A 20 8.826 5.712 -0.624 1.00 0.00 O ATOM 35 CB ALA A 20 11.814 5.205 0.846 1.00 0.00 C ATOM 0 H ALA A 20 12.820 7.161 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 20 11.186 5.116 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.190 4.369 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.820 4.846 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.859 5.946 1.644 1.00 0.00 H new ATOM 41 N THR A 21 9.657 7.330 0.669 1.00 0.00 N ATOM 42 CA THR A 21 8.375 7.808 1.083 1.00 0.00 C ATOM 43 C THR A 21 7.652 8.527 -0.046 1.00 0.00 C ATOM 44 O THR A 21 6.417 8.437 -0.166 1.00 0.00 O ATOM 45 CB THR A 21 8.544 8.717 2.281 1.00 0.00 C ATOM 46 OG1 THR A 21 9.702 9.543 2.054 1.00 0.00 O ATOM 47 CG2 THR A 21 8.736 7.911 3.556 1.00 0.00 C ATOM 0 H THR A 21 10.442 7.875 1.025 1.00 0.00 H new ATOM 0 HA THR A 21 7.758 6.953 1.361 1.00 0.00 H new ATOM 0 HB THR A 21 7.649 9.327 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.740 10.247 2.735 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.855 8.589 4.401 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.865 7.276 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.626 7.289 3.462 1.00 0.00 H new ATOM 55 N GLN A 22 8.418 9.221 -0.878 1.00 0.00 N ATOM 56 CA GLN A 22 7.869 9.891 -2.039 1.00 0.00 C ATOM 57 C GLN A 22 7.297 8.869 -3.004 1.00 0.00 C ATOM 58 O GLN A 22 6.190 9.033 -3.516 1.00 0.00 O ATOM 59 CB GLN A 22 8.933 10.737 -2.734 1.00 0.00 C ATOM 60 CG GLN A 22 8.440 11.437 -3.988 1.00 0.00 C ATOM 61 CD GLN A 22 9.502 12.288 -4.623 1.00 0.00 C ATOM 62 OE1 GLN A 22 9.633 13.467 -4.307 1.00 0.00 O ATOM 63 NE2 GLN A 22 10.271 11.710 -5.514 1.00 0.00 N ATOM 0 H GLN A 22 9.426 9.332 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 22 7.071 10.555 -1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.303 11.486 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.778 10.099 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.098 10.692 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.580 12.059 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.130 10.728 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.010 12.243 -5.972 1.00 0.00 H new ATOM 72 N ARG A 23 8.035 7.790 -3.219 1.00 0.00 N ATOM 73 CA ARG A 23 7.595 6.746 -4.116 1.00 0.00 C ATOM 74 C ARG A 23 6.355 6.042 -3.569 1.00 0.00 C ATOM 75 O ARG A 23 5.459 5.664 -4.319 1.00 0.00 O ATOM 76 CB ARG A 23 8.712 5.736 -4.405 1.00 0.00 C ATOM 77 CG ARG A 23 8.289 4.662 -5.385 1.00 0.00 C ATOM 78 CD ARG A 23 9.401 3.700 -5.725 1.00 0.00 C ATOM 79 NE ARG A 23 8.920 2.686 -6.662 1.00 0.00 N ATOM 80 CZ ARG A 23 9.662 2.032 -7.561 1.00 0.00 C ATOM 81 NH1 ARG A 23 10.977 2.224 -7.641 1.00 0.00 N ATOM 82 NH2 ARG A 23 9.082 1.184 -8.389 1.00 0.00 N ATOM 0 H ARG A 23 8.941 7.620 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 23 7.331 7.221 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.579 6.263 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.024 5.268 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.451 4.106 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.932 5.134 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.240 4.242 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.769 3.222 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 23 7.927 2.457 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.436 2.880 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.525 1.715 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.075 1.032 -8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.641 0.681 -9.078 1.00 0.00 H new ATOM 96 N PHE A 24 6.258 5.938 -2.258 1.00 0.00 N ATOM 97 CA PHE A 24 5.124 5.246 -1.668 1.00 0.00 C ATOM 98 C PHE A 24 3.918 6.148 -1.527 1.00 0.00 C ATOM 99 O PHE A 24 2.844 5.702 -1.114 1.00 0.00 O ATOM 100 CB PHE A 24 5.491 4.562 -0.336 1.00 0.00 C ATOM 101 CG PHE A 24 6.299 3.285 -0.493 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.872 2.951 -1.711 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.456 2.408 0.569 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.582 1.791 -1.865 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.167 1.238 0.410 1.00 0.00 C ATOM 106 CZ PHE A 24 7.729 0.929 -0.804 1.00 0.00 C ATOM 0 H PHE A 24 6.933 6.314 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 24 4.846 4.454 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.057 5.264 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.574 4.334 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.756 3.618 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.018 2.643 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.027 1.553 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.283 0.561 1.244 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.285 0.011 -0.925 1.00 0.00 H new ATOM 116 N HIS A 25 4.060 7.400 -1.947 1.00 0.00 N ATOM 117 CA HIS A 25 2.956 8.336 -1.869 1.00 0.00 C ATOM 118 C HIS A 25 1.898 7.988 -2.926 1.00 0.00 C ATOM 119 O HIS A 25 0.723 8.310 -2.764 1.00 0.00 O ATOM 120 CB HIS A 25 3.425 9.793 -2.003 1.00 0.00 C ATOM 121 CG HIS A 25 2.370 10.801 -1.628 1.00 0.00 C ATOM 122 ND1 HIS A 25 1.893 11.770 -2.475 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.725 10.986 -0.463 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.009 12.501 -1.845 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.886 12.045 -0.622 1.00 0.00 N ATOM 0 H HIS A 25 4.920 7.783 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 25 2.506 8.246 -0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.301 9.944 -1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.738 9.972 -3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.850 10.400 0.436 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.471 13.339 -2.263 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.264 12.422 0.093 1.00 0.00 H new ATOM 134 N GLU A 26 2.317 7.282 -3.981 1.00 0.00 N ATOM 135 CA GLU A 26 1.391 6.813 -5.014 1.00 0.00 C ATOM 136 C GLU A 26 0.411 5.812 -4.415 1.00 0.00 C ATOM 137 O GLU A 26 -0.799 5.834 -4.694 1.00 0.00 O ATOM 138 CB GLU A 26 2.148 6.155 -6.169 1.00 0.00 C ATOM 139 CG GLU A 26 2.997 7.104 -6.987 1.00 0.00 C ATOM 140 CD GLU A 26 2.172 8.133 -7.720 1.00 0.00 C ATOM 141 OE1 GLU A 26 1.604 7.815 -8.785 1.00 0.00 O ATOM 142 OE2 GLU A 26 2.099 9.285 -7.276 1.00 0.00 O ATOM 0 H GLU A 26 3.291 7.023 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 26 0.847 7.675 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.789 5.370 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.428 5.671 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.704 7.611 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.583 6.533 -7.707 1.00 0.00 H new ATOM 149 N ILE A 27 0.923 4.964 -3.561 1.00 0.00 N ATOM 150 CA ILE A 27 0.107 3.966 -2.925 1.00 0.00 C ATOM 151 C ILE A 27 -0.722 4.636 -1.818 1.00 0.00 C ATOM 152 O ILE A 27 -1.871 4.293 -1.601 1.00 0.00 O ATOM 153 CB ILE A 27 0.930 2.744 -2.350 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.782 2.024 -3.440 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.010 1.731 -1.715 1.00 0.00 C ATOM 156 CD1 ILE A 27 3.037 2.750 -3.897 1.00 0.00 C ATOM 0 H ILE A 27 1.906 4.946 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.545 3.541 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 27 1.613 3.154 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.072 1.045 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.150 1.851 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.568 0.894 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.560 2.205 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.713 1.367 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.546 2.154 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.765 3.718 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.701 2.899 -3.046 1.00 0.00 H new ATOM 168 N GLU A 28 -0.123 5.635 -1.166 1.00 0.00 N ATOM 169 CA GLU A 28 -0.774 6.415 -0.100 1.00 0.00 C ATOM 170 C GLU A 28 -2.033 7.100 -0.661 1.00 0.00 C ATOM 171 O GLU A 28 -3.115 7.035 -0.062 1.00 0.00 O ATOM 172 CB GLU A 28 0.250 7.441 0.457 1.00 0.00 C ATOM 173 CG GLU A 28 -0.118 8.195 1.750 1.00 0.00 C ATOM 174 CD GLU A 28 -1.224 9.223 1.609 1.00 0.00 C ATOM 175 OE1 GLU A 28 -1.119 10.113 0.741 1.00 0.00 O ATOM 176 OE2 GLU A 28 -2.175 9.200 2.413 1.00 0.00 O ATOM 0 H GLU A 28 0.834 5.931 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.092 5.769 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.189 6.916 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.439 8.182 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.416 7.466 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.775 8.695 2.126 1.00 0.00 H new ATOM 183 N LYS A 29 -1.896 7.720 -1.819 1.00 0.00 N ATOM 184 CA LYS A 29 -3.034 8.356 -2.461 1.00 0.00 C ATOM 185 C LYS A 29 -4.079 7.320 -2.913 1.00 0.00 C ATOM 186 O LYS A 29 -5.280 7.556 -2.823 1.00 0.00 O ATOM 187 CB LYS A 29 -2.618 9.304 -3.606 1.00 0.00 C ATOM 188 CG LYS A 29 -1.896 8.654 -4.773 1.00 0.00 C ATOM 189 CD LYS A 29 -1.445 9.658 -5.853 1.00 0.00 C ATOM 190 CE LYS A 29 -2.587 10.187 -6.746 1.00 0.00 C ATOM 191 NZ LYS A 29 -3.565 11.047 -6.041 1.00 0.00 N ATOM 0 H LYS A 29 -1.017 7.797 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.508 8.986 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.512 9.798 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.975 10.082 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.023 8.119 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.552 7.913 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.959 10.504 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.696 9.181 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.154 10.751 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.115 9.338 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.911 11.783 -6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.365 10.468 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.106 11.495 -5.222 1.00 0.00 H new ATOM 205 N PHE A 30 -3.629 6.157 -3.365 1.00 0.00 N ATOM 206 CA PHE A 30 -4.564 5.119 -3.775 1.00 0.00 C ATOM 207 C PHE A 30 -5.302 4.584 -2.538 1.00 0.00 C ATOM 208 O PHE A 30 -6.481 4.221 -2.602 1.00 0.00 O ATOM 209 CB PHE A 30 -3.845 3.981 -4.460 1.00 0.00 C ATOM 210 CG PHE A 30 -4.722 3.205 -5.415 1.00 0.00 C ATOM 211 CD1 PHE A 30 -5.619 2.255 -4.960 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.651 3.448 -6.774 1.00 0.00 C ATOM 213 CE1 PHE A 30 -6.425 1.565 -5.844 1.00 0.00 C ATOM 214 CE2 PHE A 30 -5.448 2.761 -7.660 1.00 0.00 C ATOM 215 CZ PHE A 30 -6.338 1.819 -7.197 1.00 0.00 C ATOM 0 H PHE A 30 -2.643 5.912 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.274 5.552 -4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.989 4.378 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.453 3.301 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.690 2.051 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.959 4.189 -7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.123 0.827 -5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.375 2.961 -8.719 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.966 1.280 -7.891 1.00 0.00 H new ATOM 225 N LEU A 31 -4.589 4.549 -1.421 1.00 0.00 N ATOM 226 CA LEU A 31 -5.127 4.141 -0.131 1.00 0.00 C ATOM 227 C LEU A 31 -6.302 5.037 0.243 1.00 0.00 C ATOM 228 O LEU A 31 -7.361 4.547 0.685 1.00 0.00 O ATOM 229 CB LEU A 31 -4.023 4.222 0.943 1.00 0.00 C ATOM 230 CG LEU A 31 -4.411 3.864 2.383 1.00 0.00 C ATOM 231 CD1 LEU A 31 -4.807 2.408 2.498 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.269 4.181 3.335 1.00 0.00 C ATOM 0 H LEU A 31 -3.603 4.808 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.479 3.111 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.209 3.563 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.627 5.238 0.943 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.275 4.469 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.077 2.185 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.660 2.211 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.970 1.778 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.561 3.921 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.388 3.605 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.038 5.245 3.284 1.00 0.00 H new ATOM 244 N LEU A 32 -6.149 6.345 0.028 1.00 0.00 N ATOM 245 CA LEU A 32 -7.234 7.257 0.317 1.00 0.00 C ATOM 246 C LEU A 32 -8.387 7.049 -0.653 1.00 0.00 C ATOM 247 O LEU A 32 -9.558 7.142 -0.274 1.00 0.00 O ATOM 248 CB LEU A 32 -6.792 8.746 0.484 1.00 0.00 C ATOM 249 CG LEU A 32 -6.180 9.498 -0.710 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.235 9.952 -1.707 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.360 10.674 -0.231 1.00 0.00 C ATOM 0 H LEU A 32 -5.302 6.780 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.607 7.004 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.665 9.310 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.067 8.781 1.297 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.526 8.798 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.754 10.478 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.769 9.083 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.939 10.621 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.935 11.194 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.998 11.358 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.556 10.319 0.413 1.00 0.00 H new ATOM 263 N HIS A 33 -8.047 6.721 -1.902 1.00 0.00 N ATOM 264 CA HIS A 33 -9.047 6.385 -2.900 1.00 0.00 C ATOM 265 C HIS A 33 -9.875 5.191 -2.445 1.00 0.00 C ATOM 266 O HIS A 33 -11.077 5.256 -2.499 1.00 0.00 O ATOM 267 CB HIS A 33 -8.417 6.122 -4.304 1.00 0.00 C ATOM 268 CG HIS A 33 -9.332 5.376 -5.272 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.018 4.136 -5.771 1.00 0.00 N ATOM 270 CD2 HIS A 33 -10.574 5.661 -5.751 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.018 3.687 -6.500 1.00 0.00 C ATOM 272 NE2 HIS A 33 -10.975 4.585 -6.503 1.00 0.00 N ATOM 0 H HIS A 33 -7.085 6.683 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.704 7.249 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.138 7.077 -4.749 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.498 5.549 -4.176 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.138 6.565 -5.573 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.046 2.736 -7.011 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.870 4.498 -6.985 1.00 0.00 H new ATOM 281 N ILE A 34 -9.221 4.131 -1.977 1.00 0.00 N ATOM 282 CA ILE A 34 -9.894 2.939 -1.553 1.00 0.00 C ATOM 283 C ILE A 34 -10.805 3.227 -0.377 1.00 0.00 C ATOM 284 O ILE A 34 -11.961 2.885 -0.413 1.00 0.00 O ATOM 285 CB ILE A 34 -8.859 1.821 -1.211 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.265 1.211 -2.492 1.00 0.00 C ATOM 287 CG2 ILE A 34 -9.436 0.740 -0.315 1.00 0.00 C ATOM 288 CD1 ILE A 34 -9.278 0.454 -3.341 1.00 0.00 C ATOM 0 H ILE A 34 -8.206 4.090 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.517 2.580 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.058 2.300 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.825 2.008 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.456 0.534 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.672 -0.010 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.768 1.184 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.283 0.268 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.784 0.053 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.700 -0.365 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.076 1.131 -3.646 1.00 0.00 H new ATOM 300 N THR A 35 -10.304 3.939 0.599 1.00 0.00 N ATOM 301 CA THR A 35 -11.079 4.238 1.785 1.00 0.00 C ATOM 302 C THR A 35 -12.304 5.119 1.430 1.00 0.00 C ATOM 303 O THR A 35 -13.430 4.857 1.868 1.00 0.00 O ATOM 304 CB THR A 35 -10.206 4.957 2.807 1.00 0.00 C ATOM 305 OG1 THR A 35 -8.943 4.247 2.947 1.00 0.00 O ATOM 306 CG2 THR A 35 -10.894 5.018 4.166 1.00 0.00 C ATOM 0 H THR A 35 -9.360 4.326 0.600 1.00 0.00 H new ATOM 0 HA THR A 35 -11.436 3.300 2.210 1.00 0.00 H new ATOM 0 HB THR A 35 -10.033 5.974 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.350 4.484 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.250 5.536 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.837 5.556 4.072 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.087 4.006 4.522 1.00 0.00 H new ATOM 314 N HIS A 36 -12.087 6.136 0.608 1.00 0.00 N ATOM 315 CA HIS A 36 -13.170 7.015 0.213 1.00 0.00 C ATOM 316 C HIS A 36 -14.146 6.309 -0.713 1.00 0.00 C ATOM 317 O HIS A 36 -15.329 6.622 -0.729 1.00 0.00 O ATOM 318 CB HIS A 36 -12.681 8.331 -0.362 1.00 0.00 C ATOM 319 CG HIS A 36 -13.752 9.380 -0.368 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.557 9.623 0.724 1.00 0.00 N ATOM 321 CD2 HIS A 36 -14.160 10.238 -1.325 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.403 10.579 0.442 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.186 10.972 -0.792 1.00 0.00 N ATOM 0 H HIS A 36 -11.179 6.369 0.207 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.712 7.274 1.122 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -11.831 8.686 0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.326 8.171 -1.380 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.501 9.132 1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.755 10.329 -2.322 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.152 10.977 1.110 1.00 0.00 H new ATOM 332 N GLU A 37 -13.631 5.378 -1.496 1.00 0.00 N ATOM 333 CA GLU A 37 -14.420 4.537 -2.366 1.00 0.00 C ATOM 334 C GLU A 37 -15.403 3.762 -1.498 1.00 0.00 C ATOM 335 O GLU A 37 -16.552 3.597 -1.854 1.00 0.00 O ATOM 336 CB GLU A 37 -13.492 3.548 -3.073 1.00 0.00 C ATOM 337 CG GLU A 37 -14.115 2.740 -4.173 1.00 0.00 C ATOM 338 CD GLU A 37 -14.348 3.546 -5.414 1.00 0.00 C ATOM 339 OE1 GLU A 37 -15.419 4.137 -5.567 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.458 3.561 -6.295 1.00 0.00 O ATOM 0 H GLU A 37 -12.631 5.185 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.950 5.135 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.649 4.102 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.088 2.862 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.469 1.894 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.064 2.330 -3.826 1.00 0.00 H new ATOM 347 N VAL A 38 -14.934 3.364 -0.310 1.00 0.00 N ATOM 348 CA VAL A 38 -15.724 2.626 0.645 1.00 0.00 C ATOM 349 C VAL A 38 -16.857 3.498 1.108 1.00 0.00 C ATOM 350 O VAL A 38 -18.006 3.057 1.165 1.00 0.00 O ATOM 351 CB VAL A 38 -14.901 2.190 1.900 1.00 0.00 C ATOM 352 CG1 VAL A 38 -15.736 1.321 2.807 1.00 0.00 C ATOM 353 CG2 VAL A 38 -13.665 1.439 1.518 1.00 0.00 C ATOM 0 H VAL A 38 -13.983 3.554 0.006 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.079 1.724 0.147 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.611 3.102 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.145 1.028 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.614 1.877 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.053 0.429 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.120 1.153 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.941 0.544 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.032 2.072 0.896 1.00 0.00 H new ATOM 363 N ASP A 39 -16.525 4.748 1.409 1.00 0.00 N ATOM 364 CA ASP A 39 -17.515 5.712 1.872 1.00 0.00 C ATOM 365 C ASP A 39 -18.594 5.875 0.826 1.00 0.00 C ATOM 366 O ASP A 39 -19.820 5.808 1.107 1.00 0.00 O ATOM 367 CB ASP A 39 -16.922 7.128 2.106 1.00 0.00 C ATOM 368 CG ASP A 39 -15.805 7.228 3.111 1.00 0.00 C ATOM 369 OD1 ASP A 39 -15.978 6.776 4.260 1.00 0.00 O ATOM 370 OD2 ASP A 39 -14.760 7.852 2.786 1.00 0.00 O ATOM 0 H ASP A 39 -15.577 5.118 1.341 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.896 5.319 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.558 7.508 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.729 7.788 2.425 1.00 0.00 H new ATOM 375 N ASP A 40 -18.123 6.000 -0.395 1.00 0.00 N ATOM 376 CA ASP A 40 -18.911 6.332 -1.510 1.00 0.00 C ATOM 377 C ASP A 40 -19.810 5.196 -1.854 1.00 0.00 C ATOM 378 O ASP A 40 -20.996 5.385 -1.958 1.00 0.00 O ATOM 379 CB ASP A 40 -18.001 6.721 -2.679 1.00 0.00 C ATOM 380 CG ASP A 40 -18.726 7.422 -3.797 1.00 0.00 C ATOM 381 OD1 ASP A 40 -18.828 8.671 -3.754 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.169 6.764 -4.748 1.00 0.00 O ATOM 0 H ASP A 40 -17.138 5.863 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.544 7.189 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.206 7.369 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.524 5.823 -3.072 1.00 0.00 H new ATOM 387 N LEU A 41 -19.272 3.996 -1.908 1.00 0.00 N ATOM 388 CA LEU A 41 -20.063 2.851 -2.271 1.00 0.00 C ATOM 389 C LEU A 41 -21.081 2.526 -1.207 1.00 0.00 C ATOM 390 O LEU A 41 -22.207 2.148 -1.528 1.00 0.00 O ATOM 391 CB LEU A 41 -19.209 1.634 -2.732 1.00 0.00 C ATOM 392 CG LEU A 41 -18.163 1.055 -1.767 1.00 0.00 C ATOM 393 CD1 LEU A 41 -18.785 0.193 -0.686 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.112 0.286 -2.534 1.00 0.00 C ATOM 0 H LEU A 41 -18.293 3.794 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.632 3.121 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.896 0.830 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.690 1.922 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.688 1.895 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.002 -0.191 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.485 0.790 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.315 -0.641 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.377 -0.119 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.584 -0.531 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.615 0.953 -3.239 1.00 0.00 H new ATOM 406 N GLU A 42 -20.717 2.735 0.059 1.00 0.00 N ATOM 407 CA GLU A 42 -21.630 2.462 1.142 1.00 0.00 C ATOM 408 C GLU A 42 -22.795 3.436 1.208 1.00 0.00 C ATOM 409 O GLU A 42 -23.860 3.085 1.726 1.00 0.00 O ATOM 410 CB GLU A 42 -20.952 2.297 2.507 1.00 0.00 C ATOM 411 CG GLU A 42 -20.206 0.981 2.663 1.00 0.00 C ATOM 412 CD GLU A 42 -19.679 0.759 4.062 1.00 0.00 C ATOM 413 OE1 GLU A 42 -20.477 0.669 5.009 1.00 0.00 O ATOM 414 OE2 GLU A 42 -18.464 0.588 4.231 1.00 0.00 O ATOM 0 H GLU A 42 -19.804 3.089 0.346 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.047 1.486 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.254 3.120 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.707 2.372 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.872 0.160 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.374 0.957 1.960 1.00 0.00 H new ATOM 421 N LYS A 43 -22.636 4.648 0.684 1.00 0.00 N ATOM 422 CA LYS A 43 -23.766 5.573 0.704 1.00 0.00 C ATOM 423 C LYS A 43 -24.536 5.487 -0.611 1.00 0.00 C ATOM 424 O LYS A 43 -25.664 5.975 -0.739 1.00 0.00 O ATOM 425 CB LYS A 43 -23.336 7.039 1.074 1.00 0.00 C ATOM 426 CG LYS A 43 -22.378 7.783 0.107 1.00 0.00 C ATOM 427 CD LYS A 43 -23.063 8.206 -1.195 1.00 0.00 C ATOM 428 CE LYS A 43 -22.141 8.986 -2.122 1.00 0.00 C ATOM 429 NZ LYS A 43 -21.720 10.278 -1.551 1.00 0.00 N ATOM 0 H LYS A 43 -21.779 5.002 0.259 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.443 5.270 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.242 7.638 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.864 7.011 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.979 8.666 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.531 7.138 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.426 7.319 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.935 8.817 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.258 8.385 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.649 9.161 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.223 10.833 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.557 10.803 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.083 10.111 -0.746 1.00 0.00 H new ATOM 443 N THR A 44 -23.914 4.850 -1.556 1.00 0.00 N ATOM 444 CA THR A 44 -24.389 4.747 -2.905 1.00 0.00 C ATOM 445 C THR A 44 -25.187 3.460 -3.184 1.00 0.00 C ATOM 446 O THR A 44 -26.359 3.528 -3.560 1.00 0.00 O ATOM 447 CB THR A 44 -23.180 4.916 -3.837 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.693 6.252 -3.743 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.442 4.599 -5.253 1.00 0.00 C ATOM 0 H THR A 44 -23.028 4.369 -1.404 1.00 0.00 H new ATOM 0 HA THR A 44 -25.115 5.538 -3.090 1.00 0.00 H new ATOM 0 HB THR A 44 -22.442 4.190 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.967 6.290 -3.085 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.531 4.747 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.763 3.561 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.226 5.254 -5.634 1.00 0.00 H new ATOM 457 N GLY A 45 -24.584 2.318 -2.974 1.00 0.00 N ATOM 458 CA GLY A 45 -25.255 1.072 -3.294 1.00 0.00 C ATOM 459 C GLY A 45 -24.757 -0.079 -2.464 1.00 0.00 C ATOM 460 O GLY A 45 -25.549 -0.755 -1.813 1.00 0.00 O ATOM 0 H GLY A 45 -23.645 2.218 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.327 1.190 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.108 0.845 -4.350 1.00 0.00 H new ATOM 464 N ASN A 46 -23.429 -0.331 -2.547 1.00 0.00 N ATOM 465 CA ASN A 46 -22.712 -1.373 -1.742 1.00 0.00 C ATOM 466 C ASN A 46 -23.018 -2.779 -2.298 1.00 0.00 C ATOM 467 O ASN A 46 -22.550 -3.796 -1.788 1.00 0.00 O ATOM 468 CB ASN A 46 -23.122 -1.271 -0.237 1.00 0.00 C ATOM 469 CG ASN A 46 -22.293 -2.114 0.718 1.00 0.00 C ATOM 470 OD1 ASN A 46 -21.097 -2.291 0.529 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.929 -2.647 1.733 1.00 0.00 N ATOM 0 H ASN A 46 -22.812 0.182 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.638 -1.200 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -23.054 -0.228 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -24.167 -1.564 -0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.426 -3.233 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.927 -2.476 1.856 1.00 0.00 H new ATOM 478 N LYS A 47 -23.738 -2.793 -3.397 1.00 0.00 N ATOM 479 CA LYS A 47 -24.277 -3.996 -4.005 1.00 0.00 C ATOM 480 C LYS A 47 -23.191 -4.945 -4.547 1.00 0.00 C ATOM 481 O LYS A 47 -23.216 -6.141 -4.266 1.00 0.00 O ATOM 482 CB LYS A 47 -25.267 -3.588 -5.106 1.00 0.00 C ATOM 483 CG LYS A 47 -25.956 -4.718 -5.861 1.00 0.00 C ATOM 484 CD LYS A 47 -26.834 -5.572 -4.963 1.00 0.00 C ATOM 485 CE LYS A 47 -27.621 -6.593 -5.777 1.00 0.00 C ATOM 486 NZ LYS A 47 -26.750 -7.518 -6.531 1.00 0.00 N ATOM 0 H LYS A 47 -23.974 -1.944 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.791 -4.566 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -26.037 -2.961 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.735 -2.970 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.563 -4.297 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.201 -5.349 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.216 -6.087 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -27.523 -4.934 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -28.262 -7.168 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -28.276 -6.069 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.330 -8.261 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -26.243 -6.992 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -26.062 -7.953 -5.883 1.00 0.00 H new ATOM 500 N ASP A 48 -22.252 -4.417 -5.296 1.00 0.00 N ATOM 501 CA ASP A 48 -21.186 -5.240 -5.894 1.00 0.00 C ATOM 502 C ASP A 48 -19.819 -4.582 -5.730 1.00 0.00 C ATOM 503 O ASP A 48 -18.775 -5.248 -5.733 1.00 0.00 O ATOM 504 CB ASP A 48 -21.448 -5.499 -7.400 1.00 0.00 C ATOM 505 CG ASP A 48 -21.283 -4.261 -8.283 1.00 0.00 C ATOM 506 OD1 ASP A 48 -22.253 -3.469 -8.431 1.00 0.00 O ATOM 507 OD2 ASP A 48 -20.189 -4.066 -8.857 1.00 0.00 O ATOM 0 H ASP A 48 -22.190 -3.423 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.190 -6.192 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.766 -6.275 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.460 -5.886 -7.521 1.00 0.00 H new ATOM 512 N GLU A 49 -19.833 -3.283 -5.551 1.00 0.00 N ATOM 513 CA GLU A 49 -18.634 -2.495 -5.469 1.00 0.00 C ATOM 514 C GLU A 49 -17.788 -2.766 -4.273 1.00 0.00 C ATOM 515 O GLU A 49 -16.604 -2.637 -4.354 1.00 0.00 O ATOM 516 CB GLU A 49 -18.859 -1.031 -5.761 1.00 0.00 C ATOM 517 CG GLU A 49 -19.264 -0.823 -7.202 1.00 0.00 C ATOM 518 CD GLU A 49 -19.387 0.603 -7.582 1.00 0.00 C ATOM 519 OE1 GLU A 49 -18.357 1.223 -7.905 1.00 0.00 O ATOM 520 OE2 GLU A 49 -20.515 1.131 -7.586 1.00 0.00 O ATOM 0 H GLU A 49 -20.691 -2.739 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.015 -2.852 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.634 -0.640 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.948 -0.470 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.530 -1.301 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.217 -1.321 -7.379 1.00 0.00 H new ATOM 527 N LYS A 50 -18.402 -3.105 -3.165 1.00 0.00 N ATOM 528 CA LYS A 50 -17.675 -3.413 -1.918 1.00 0.00 C ATOM 529 C LYS A 50 -16.652 -4.537 -2.197 1.00 0.00 C ATOM 530 O LYS A 50 -15.489 -4.477 -1.786 1.00 0.00 O ATOM 531 CB LYS A 50 -18.698 -3.894 -0.895 1.00 0.00 C ATOM 532 CG LYS A 50 -18.241 -4.030 0.545 1.00 0.00 C ATOM 533 CD LYS A 50 -17.986 -2.696 1.162 1.00 0.00 C ATOM 534 CE LYS A 50 -18.055 -2.813 2.668 1.00 0.00 C ATOM 535 NZ LYS A 50 -17.509 -1.638 3.360 1.00 0.00 N ATOM 0 H LYS A 50 -19.416 -3.180 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.147 -2.535 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.543 -3.206 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.070 -4.865 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.000 -4.560 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.333 -4.631 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.006 -2.326 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.722 -1.974 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.093 -2.955 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.507 -3.701 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.489 -1.817 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.543 -1.454 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.108 -0.811 3.164 1.00 0.00 H new ATOM 549 N ALA A 51 -17.111 -5.506 -2.922 1.00 0.00 N ATOM 550 CA ALA A 51 -16.288 -6.629 -3.369 1.00 0.00 C ATOM 551 C ALA A 51 -15.227 -6.168 -4.387 1.00 0.00 C ATOM 552 O ALA A 51 -14.052 -6.553 -4.298 1.00 0.00 O ATOM 553 CB ALA A 51 -17.163 -7.722 -3.959 1.00 0.00 C ATOM 0 H ALA A 51 -18.080 -5.558 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.764 -7.034 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.537 -8.552 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.865 -8.074 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.716 -7.325 -4.810 1.00 0.00 H new ATOM 559 N ARG A 52 -15.647 -5.323 -5.335 1.00 0.00 N ATOM 560 CA ARG A 52 -14.734 -4.745 -6.348 1.00 0.00 C ATOM 561 C ARG A 52 -13.647 -3.946 -5.657 1.00 0.00 C ATOM 562 O ARG A 52 -12.484 -4.007 -6.031 1.00 0.00 O ATOM 563 CB ARG A 52 -15.526 -3.866 -7.374 1.00 0.00 C ATOM 564 CG ARG A 52 -14.685 -3.177 -8.485 1.00 0.00 C ATOM 565 CD ARG A 52 -14.045 -1.840 -8.047 1.00 0.00 C ATOM 566 NE ARG A 52 -15.055 -0.785 -7.810 1.00 0.00 N ATOM 567 CZ ARG A 52 -14.791 0.480 -7.386 1.00 0.00 C ATOM 568 NH1 ARG A 52 -13.536 0.887 -7.157 1.00 0.00 N ATOM 569 NH2 ARG A 52 -15.791 1.354 -7.229 1.00 0.00 N ATOM 0 H ARG A 52 -16.616 -5.018 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.265 -5.553 -6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.277 -4.493 -7.853 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.061 -3.094 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.897 -3.858 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.322 -2.997 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.467 -1.998 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.347 -1.506 -8.814 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.031 -1.027 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.757 0.244 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.359 1.840 -6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.751 1.072 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.594 2.303 -6.911 1.00 0.00 H new ATOM 583 N LEU A 53 -14.050 -3.234 -4.636 1.00 0.00 N ATOM 584 CA LEU A 53 -13.200 -2.428 -3.827 1.00 0.00 C ATOM 585 C LEU A 53 -12.088 -3.256 -3.206 1.00 0.00 C ATOM 586 O LEU A 53 -10.906 -2.903 -3.307 1.00 0.00 O ATOM 587 CB LEU A 53 -14.069 -1.837 -2.748 1.00 0.00 C ATOM 588 CG LEU A 53 -13.372 -1.350 -1.531 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.754 0.010 -1.755 1.00 0.00 C ATOM 590 CD2 LEU A 53 -14.287 -1.398 -0.335 1.00 0.00 C ATOM 0 H LEU A 53 -15.026 -3.206 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.723 -1.653 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.628 -1.006 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.798 -2.589 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.542 -2.022 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.252 0.336 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.030 -0.049 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.534 0.726 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.755 -1.037 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.157 -0.767 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.612 -2.425 -0.166 1.00 0.00 H new ATOM 602 N LEU A 54 -12.451 -4.358 -2.591 1.00 0.00 N ATOM 603 CA LEU A 54 -11.466 -5.177 -1.953 1.00 0.00 C ATOM 604 C LEU A 54 -10.531 -5.818 -2.937 1.00 0.00 C ATOM 605 O LEU A 54 -9.339 -5.920 -2.684 1.00 0.00 O ATOM 606 CB LEU A 54 -12.065 -6.172 -0.979 1.00 0.00 C ATOM 607 CG LEU A 54 -12.737 -5.548 0.240 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.109 -6.617 1.242 1.00 0.00 C ATOM 609 CD2 LEU A 54 -11.835 -4.482 0.877 1.00 0.00 C ATOM 0 H LEU A 54 -13.410 -4.699 -2.523 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.859 -4.503 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.798 -6.781 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.278 -6.844 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.652 -5.054 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.587 -6.155 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.798 -7.324 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.210 -7.143 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.336 -4.052 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.897 -4.939 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.631 -3.696 0.150 1.00 0.00 H new ATOM 621 N ARG A 55 -11.041 -6.166 -4.087 1.00 0.00 N ATOM 622 CA ARG A 55 -10.223 -6.757 -5.117 1.00 0.00 C ATOM 623 C ARG A 55 -9.254 -5.706 -5.652 1.00 0.00 C ATOM 624 O ARG A 55 -8.090 -5.992 -5.938 1.00 0.00 O ATOM 625 CB ARG A 55 -11.094 -7.305 -6.241 1.00 0.00 C ATOM 626 CG ARG A 55 -10.308 -7.973 -7.351 1.00 0.00 C ATOM 627 CD ARG A 55 -11.219 -8.499 -8.438 1.00 0.00 C ATOM 628 NE ARG A 55 -12.179 -9.489 -7.930 1.00 0.00 N ATOM 629 CZ ARG A 55 -12.263 -10.757 -8.349 1.00 0.00 C ATOM 630 NH1 ARG A 55 -11.344 -11.256 -9.173 1.00 0.00 N ATOM 631 NH2 ARG A 55 -13.243 -11.536 -7.911 1.00 0.00 N ATOM 0 H ARG A 55 -12.023 -6.051 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.656 -7.588 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.800 -8.024 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.681 -6.490 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.604 -7.260 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.720 -8.793 -6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.762 -7.668 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.617 -8.951 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.829 -9.187 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.570 -10.671 -9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.414 -12.223 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.932 -11.168 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.307 -12.503 -8.230 1.00 0.00 H new ATOM 645 N GLU A 56 -9.726 -4.482 -5.716 1.00 0.00 N ATOM 646 CA GLU A 56 -8.948 -3.387 -6.203 1.00 0.00 C ATOM 647 C GLU A 56 -7.818 -3.046 -5.226 1.00 0.00 C ATOM 648 O GLU A 56 -6.679 -2.733 -5.640 1.00 0.00 O ATOM 649 CB GLU A 56 -9.865 -2.215 -6.481 1.00 0.00 C ATOM 650 CG GLU A 56 -9.193 -0.998 -7.024 1.00 0.00 C ATOM 651 CD GLU A 56 -10.188 -0.070 -7.635 1.00 0.00 C ATOM 652 OE1 GLU A 56 -10.802 0.718 -6.919 1.00 0.00 O ATOM 653 OE2 GLU A 56 -10.407 -0.157 -8.861 1.00 0.00 O ATOM 0 H GLU A 56 -10.670 -4.226 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.461 -3.659 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.631 -2.533 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.376 -1.947 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.656 -0.487 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.454 -1.288 -7.771 1.00 0.00 H new ATOM 660 N LEU A 57 -8.087 -3.155 -3.937 1.00 0.00 N ATOM 661 CA LEU A 57 -7.044 -2.932 -2.976 1.00 0.00 C ATOM 662 C LEU A 57 -6.089 -4.098 -2.955 1.00 0.00 C ATOM 663 O LEU A 57 -4.937 -3.931 -2.661 1.00 0.00 O ATOM 664 CB LEU A 57 -7.525 -2.487 -1.575 1.00 0.00 C ATOM 665 CG LEU A 57 -8.353 -3.434 -0.709 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.523 -4.594 -0.173 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.965 -2.663 0.434 1.00 0.00 C ATOM 0 H LEU A 57 -8.999 -3.391 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.492 -2.056 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.639 -2.215 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.110 -1.577 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.138 -3.860 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.153 -5.241 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.116 -5.166 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.705 -4.206 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.556 -3.338 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.174 -2.217 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.608 -1.876 0.039 1.00 0.00 H new ATOM 679 N THR A 58 -6.594 -5.278 -3.261 1.00 0.00 N ATOM 680 CA THR A 58 -5.778 -6.472 -3.346 1.00 0.00 C ATOM 681 C THR A 58 -4.696 -6.307 -4.445 1.00 0.00 C ATOM 682 O THR A 58 -3.522 -6.686 -4.261 1.00 0.00 O ATOM 683 CB THR A 58 -6.680 -7.707 -3.605 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.554 -7.890 -2.478 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.871 -8.967 -3.808 1.00 0.00 C ATOM 0 H THR A 58 -7.583 -5.435 -3.458 1.00 0.00 H new ATOM 0 HA THR A 58 -5.260 -6.628 -2.400 1.00 0.00 H new ATOM 0 HB THR A 58 -7.248 -7.523 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.098 -7.085 -2.352 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.543 -9.806 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.212 -8.842 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.274 -9.163 -2.918 1.00 0.00 H new ATOM 693 N VAL A 59 -5.080 -5.682 -5.542 1.00 0.00 N ATOM 694 CA VAL A 59 -4.137 -5.352 -6.605 1.00 0.00 C ATOM 695 C VAL A 59 -3.126 -4.316 -6.073 1.00 0.00 C ATOM 696 O VAL A 59 -1.912 -4.408 -6.319 1.00 0.00 O ATOM 697 CB VAL A 59 -4.871 -4.786 -7.852 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.887 -4.432 -8.954 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.897 -5.783 -8.366 1.00 0.00 C ATOM 0 H VAL A 59 -6.040 -5.390 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.617 -6.261 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.387 -3.874 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.430 -4.039 -9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.189 -3.679 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.336 -5.325 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.401 -5.369 -9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.396 -6.711 -8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.631 -5.985 -7.586 1.00 0.00 H new ATOM 709 N SER A 60 -3.634 -3.375 -5.294 1.00 0.00 N ATOM 710 CA SER A 60 -2.811 -2.343 -4.683 1.00 0.00 C ATOM 711 C SER A 60 -1.788 -2.955 -3.729 1.00 0.00 C ATOM 712 O SER A 60 -0.607 -2.607 -3.749 1.00 0.00 O ATOM 713 CB SER A 60 -3.707 -1.341 -3.966 1.00 0.00 C ATOM 714 OG SER A 60 -4.714 -0.879 -4.854 1.00 0.00 O ATOM 0 H SER A 60 -4.626 -3.305 -5.068 1.00 0.00 H new ATOM 0 HA SER A 60 -2.253 -1.822 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.164 -1.807 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.114 -0.501 -3.605 1.00 0.00 H new ATOM 0 HG SER A 60 -4.851 0.082 -4.721 1.00 0.00 H new ATOM 720 N GLU A 61 -2.268 -3.910 -2.974 1.00 0.00 N ATOM 721 CA GLU A 61 -1.523 -4.688 -1.991 1.00 0.00 C ATOM 722 C GLU A 61 -0.380 -5.409 -2.713 1.00 0.00 C ATOM 723 O GLU A 61 0.726 -5.543 -2.195 1.00 0.00 O ATOM 724 CB GLU A 61 -2.531 -5.686 -1.364 1.00 0.00 C ATOM 725 CG GLU A 61 -2.171 -6.356 -0.036 1.00 0.00 C ATOM 726 CD GLU A 61 -1.044 -7.353 -0.096 1.00 0.00 C ATOM 727 OE1 GLU A 61 -0.976 -8.152 -1.060 1.00 0.00 O ATOM 728 OE2 GLU A 61 -0.267 -7.416 0.875 1.00 0.00 O ATOM 0 H GLU A 61 -3.248 -4.189 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.083 -4.073 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.474 -5.159 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.713 -6.475 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.908 -5.580 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.058 -6.859 0.349 1.00 0.00 H new ATOM 735 N ALA A 62 -0.650 -5.793 -3.937 1.00 0.00 N ATOM 736 CA ALA A 62 0.313 -6.481 -4.745 1.00 0.00 C ATOM 737 C ALA A 62 1.439 -5.572 -5.213 1.00 0.00 C ATOM 738 O ALA A 62 2.613 -5.949 -5.122 1.00 0.00 O ATOM 739 CB ALA A 62 -0.348 -7.192 -5.905 1.00 0.00 C ATOM 0 H ALA A 62 -1.547 -5.634 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 62 0.772 -7.238 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.410 -7.704 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.064 -7.920 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.867 -6.465 -6.529 1.00 0.00 H new ATOM 745 N PHE A 63 1.127 -4.361 -5.675 1.00 0.00 N ATOM 746 CA PHE A 63 2.214 -3.524 -6.158 1.00 0.00 C ATOM 747 C PHE A 63 3.009 -2.919 -5.040 1.00 0.00 C ATOM 748 O PHE A 63 4.206 -2.731 -5.172 1.00 0.00 O ATOM 749 CB PHE A 63 1.869 -2.541 -7.298 1.00 0.00 C ATOM 750 CG PHE A 63 0.659 -1.727 -7.089 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.628 -0.727 -6.140 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.468 -1.980 -7.838 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.509 0.003 -5.944 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.605 -1.263 -7.642 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.625 -0.271 -6.696 1.00 0.00 C ATOM 0 H PHE A 63 0.190 -3.960 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 63 2.877 -4.223 -6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.716 -1.871 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.749 -3.109 -8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.508 -0.520 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.448 -2.756 -8.589 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.531 0.789 -5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.488 -1.473 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.528 0.301 -6.540 1.00 0.00 H new ATOM 765 N ILE A 64 2.359 -2.636 -3.916 1.00 0.00 N ATOM 766 CA ILE A 64 3.091 -2.149 -2.768 1.00 0.00 C ATOM 767 C ILE A 64 4.060 -3.229 -2.271 1.00 0.00 C ATOM 768 O ILE A 64 5.201 -2.923 -1.916 1.00 0.00 O ATOM 769 CB ILE A 64 2.187 -1.602 -1.607 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.019 -1.206 -0.398 1.00 0.00 C ATOM 771 CG2 ILE A 64 1.137 -2.584 -1.192 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.927 -0.013 -0.611 1.00 0.00 C ATOM 0 H ILE A 64 1.353 -2.734 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 64 3.656 -1.280 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 64 1.686 -0.718 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.347 -0.989 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.628 -2.059 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.539 -2.158 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.493 -2.809 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.613 -3.501 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.479 0.193 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.629 -0.229 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.327 0.858 -0.877 1.00 0.00 H new ATOM 784 N GLU A 65 3.632 -4.492 -2.315 1.00 0.00 N ATOM 785 CA GLU A 65 4.499 -5.590 -1.950 1.00 0.00 C ATOM 786 C GLU A 65 5.674 -5.652 -2.928 1.00 0.00 C ATOM 787 O GLU A 65 6.814 -5.867 -2.530 1.00 0.00 O ATOM 788 CB GLU A 65 3.744 -6.918 -1.947 1.00 0.00 C ATOM 789 CG GLU A 65 4.611 -8.083 -1.521 1.00 0.00 C ATOM 790 CD GLU A 65 3.901 -9.399 -1.549 1.00 0.00 C ATOM 791 OE1 GLU A 65 3.256 -9.767 -0.546 1.00 0.00 O ATOM 792 OE2 GLU A 65 4.010 -10.117 -2.564 1.00 0.00 O ATOM 0 H GLU A 65 2.693 -4.769 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 65 4.869 -5.419 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.888 -6.843 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.350 -7.110 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.482 -8.135 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.981 -7.900 -0.512 1.00 0.00 H new ATOM 799 N GLY A 66 5.379 -5.420 -4.197 1.00 0.00 N ATOM 800 CA GLY A 66 6.397 -5.395 -5.222 1.00 0.00 C ATOM 801 C GLY A 66 7.378 -4.255 -5.038 1.00 0.00 C ATOM 802 O GLY A 66 8.572 -4.413 -5.275 1.00 0.00 O ATOM 0 H GLY A 66 4.434 -5.246 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.939 -6.341 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.922 -5.307 -6.199 1.00 0.00 H new ATOM 806 N SER A 67 6.891 -3.115 -4.594 1.00 0.00 N ATOM 807 CA SER A 67 7.726 -1.973 -4.363 1.00 0.00 C ATOM 808 C SER A 67 8.562 -2.174 -3.107 1.00 0.00 C ATOM 809 O SER A 67 9.728 -1.769 -3.055 1.00 0.00 O ATOM 810 CB SER A 67 6.888 -0.704 -4.284 1.00 0.00 C ATOM 811 OG SER A 67 6.155 -0.518 -5.481 1.00 0.00 O ATOM 0 H SER A 67 5.904 -2.962 -4.386 1.00 0.00 H new ATOM 0 HA SER A 67 8.411 -1.861 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.204 -0.765 -3.438 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.535 0.156 -4.110 1.00 0.00 H new ATOM 0 HG SER A 67 5.447 -1.193 -5.539 1.00 0.00 H new ATOM 817 N ARG A 68 7.994 -2.843 -2.111 1.00 0.00 N ATOM 818 CA ARG A 68 8.762 -3.150 -0.914 1.00 0.00 C ATOM 819 C ARG A 68 9.810 -4.169 -1.273 1.00 0.00 C ATOM 820 O ARG A 68 10.977 -4.053 -0.887 1.00 0.00 O ATOM 821 CB ARG A 68 7.900 -3.641 0.260 1.00 0.00 C ATOM 822 CG ARG A 68 6.830 -2.666 0.724 1.00 0.00 C ATOM 823 CD ARG A 68 5.987 -3.250 1.857 1.00 0.00 C ATOM 824 NE ARG A 68 6.700 -3.307 3.156 1.00 0.00 N ATOM 825 CZ ARG A 68 6.475 -4.228 4.124 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.717 -5.272 3.885 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.030 -4.098 5.319 1.00 0.00 N ATOM 0 H ARG A 68 7.030 -3.175 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 68 9.223 -2.226 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.418 -4.575 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.554 -3.867 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.300 -1.742 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.184 -2.408 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.084 -2.651 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.669 -4.256 1.582 1.00 0.00 H new ATOM 0 HE ARG A 68 7.413 -2.600 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.293 -5.394 2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.552 -5.961 4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.633 -3.299 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.855 -4.796 6.041 1.00 0.00 H new ATOM 841 N GLY A 69 9.392 -5.123 -2.077 1.00 0.00 N ATOM 842 CA GLY A 69 10.264 -6.118 -2.599 1.00 0.00 C ATOM 843 C GLY A 69 11.305 -5.517 -3.508 1.00 0.00 C ATOM 844 O GLY A 69 12.359 -6.112 -3.725 1.00 0.00 O ATOM 0 H GLY A 69 8.423 -5.219 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.754 -6.641 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.684 -6.860 -3.148 1.00 0.00 H new ATOM 848 N TYR A 70 11.022 -4.326 -4.032 1.00 0.00 N ATOM 849 CA TYR A 70 11.948 -3.644 -4.911 1.00 0.00 C ATOM 850 C TYR A 70 13.115 -3.190 -4.092 1.00 0.00 C ATOM 851 O TYR A 70 14.263 -3.430 -4.434 1.00 0.00 O ATOM 852 CB TYR A 70 11.306 -2.456 -5.643 1.00 0.00 C ATOM 853 CG TYR A 70 12.224 -1.814 -6.662 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.281 -2.297 -7.958 1.00 0.00 C ATOM 855 CD2 TYR A 70 13.044 -0.739 -6.326 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.122 -1.736 -8.892 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.886 -0.174 -7.258 1.00 0.00 C ATOM 858 CZ TYR A 70 13.922 -0.677 -8.540 1.00 0.00 C ATOM 859 OH TYR A 70 14.767 -0.119 -9.475 1.00 0.00 O ATOM 0 H TYR A 70 10.155 -3.819 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 70 12.266 -4.338 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.399 -2.794 -6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.006 -1.706 -4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.654 -3.129 -8.241 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.019 -0.343 -5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.153 -2.127 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.515 0.660 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 70 15.263 0.621 -9.067 1.00 0.00 H new ATOM 869 N PHE A 71 12.800 -2.576 -2.992 1.00 0.00 N ATOM 870 CA PHE A 71 13.785 -2.129 -2.056 1.00 0.00 C ATOM 871 C PHE A 71 14.575 -3.304 -1.480 1.00 0.00 C ATOM 872 O PHE A 71 15.774 -3.196 -1.244 1.00 0.00 O ATOM 873 CB PHE A 71 13.203 -1.179 -1.024 1.00 0.00 C ATOM 874 CG PHE A 71 12.727 0.105 -1.665 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.629 0.949 -2.296 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.396 0.453 -1.667 1.00 0.00 C ATOM 877 CE1 PHE A 71 13.213 2.115 -2.903 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.972 1.621 -2.276 1.00 0.00 C ATOM 879 CZ PHE A 71 11.881 2.451 -2.892 1.00 0.00 C ATOM 0 H PHE A 71 11.840 -2.369 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 71 14.520 -1.526 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.371 -1.662 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.956 -0.953 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.677 0.688 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.674 -0.192 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.931 2.761 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.924 1.882 -2.268 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.548 3.363 -3.365 1.00 0.00 H new ATOM 889 N GLN A 72 13.886 -4.416 -1.242 1.00 0.00 N ATOM 890 CA GLN A 72 14.545 -5.660 -0.830 1.00 0.00 C ATOM 891 C GLN A 72 15.653 -6.061 -1.839 1.00 0.00 C ATOM 892 O GLN A 72 16.747 -6.441 -1.433 1.00 0.00 O ATOM 893 CB GLN A 72 13.541 -6.799 -0.666 1.00 0.00 C ATOM 894 CG GLN A 72 12.459 -6.524 0.369 1.00 0.00 C ATOM 895 CD GLN A 72 11.466 -7.667 0.528 1.00 0.00 C ATOM 896 OE1 GLN A 72 11.286 -8.455 -0.499 1.00 0.00 O flip ATOM 897 NE2 GLN A 72 10.876 -7.849 1.588 1.00 0.00 N flip ATOM 0 H GLN A 72 12.872 -4.485 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 72 15.007 -5.476 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.068 -6.995 -1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.077 -7.705 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.930 -6.326 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.919 -5.620 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.034 -7.219 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.227 -8.630 1.683 1.00 0.00 H new ATOM 906 N ARG A 73 15.377 -5.986 -3.160 1.00 0.00 N ATOM 907 CA ARG A 73 16.453 -6.253 -4.132 1.00 0.00 C ATOM 908 C ARG A 73 17.509 -5.145 -4.133 1.00 0.00 C ATOM 909 O ARG A 73 18.667 -5.391 -4.428 1.00 0.00 O ATOM 910 CB ARG A 73 16.038 -6.694 -5.574 1.00 0.00 C ATOM 911 CG ARG A 73 15.230 -5.714 -6.405 1.00 0.00 C ATOM 912 CD ARG A 73 13.759 -6.078 -6.423 1.00 0.00 C ATOM 913 NE ARG A 73 13.490 -7.363 -7.089 1.00 0.00 N ATOM 914 CZ ARG A 73 12.464 -8.194 -6.810 1.00 0.00 C ATOM 915 NH1 ARG A 73 11.732 -8.016 -5.715 1.00 0.00 N ATOM 916 NH2 ARG A 73 12.209 -9.225 -7.607 1.00 0.00 N ATOM 0 H ARG A 73 14.468 -5.755 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 73 16.901 -7.168 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.947 -6.933 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 73 15.464 -7.617 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.352 -4.708 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 73 15.614 -5.698 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.389 -6.122 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.202 -5.290 -6.929 1.00 0.00 H new ATOM 0 HE ARG A 73 14.135 -7.650 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.944 -7.247 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.958 -8.648 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.789 -9.389 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.433 -9.853 -7.396 1.00 0.00 H new ATOM 930 N GLU A 74 17.097 -3.922 -3.836 1.00 0.00 N ATOM 931 CA GLU A 74 18.033 -2.791 -3.698 1.00 0.00 C ATOM 932 C GLU A 74 19.041 -3.042 -2.547 1.00 0.00 C ATOM 933 O GLU A 74 20.173 -2.581 -2.587 1.00 0.00 O ATOM 934 CB GLU A 74 17.287 -1.466 -3.501 1.00 0.00 C ATOM 935 CG GLU A 74 16.414 -1.035 -4.679 1.00 0.00 C ATOM 936 CD GLU A 74 17.204 -0.588 -5.896 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.730 -1.430 -6.639 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.289 0.631 -6.141 1.00 0.00 O ATOM 0 H GLU A 74 16.119 -3.676 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 74 18.597 -2.714 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.659 -1.548 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.017 -0.681 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.767 -1.865 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.765 -0.220 -4.359 1.00 0.00 H new ATOM 945 N LEU A 75 18.623 -3.789 -1.532 1.00 0.00 N ATOM 946 CA LEU A 75 19.524 -4.207 -0.441 1.00 0.00 C ATOM 947 C LEU A 75 20.602 -5.171 -0.969 1.00 0.00 C ATOM 948 O LEU A 75 21.671 -5.307 -0.397 1.00 0.00 O ATOM 949 CB LEU A 75 18.729 -4.894 0.685 1.00 0.00 C ATOM 950 CG LEU A 75 17.815 -3.996 1.527 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.916 -4.846 2.410 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.655 -3.085 2.406 1.00 0.00 C ATOM 0 H LEU A 75 17.664 -4.123 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 75 20.007 -3.314 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.119 -5.680 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.438 -5.381 1.354 1.00 0.00 H new ATOM 0 HG LEU A 75 17.201 -3.396 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.271 -4.198 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.302 -5.496 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.529 -5.455 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.000 -2.449 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.275 -3.689 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.293 -2.462 1.779 1.00 0.00 H new ATOM 964 N LYS A 76 20.313 -5.775 -2.089 1.00 0.00 N ATOM 965 CA LYS A 76 21.138 -6.784 -2.714 1.00 0.00 C ATOM 966 C LYS A 76 21.980 -6.137 -3.840 1.00 0.00 C ATOM 967 O LYS A 76 22.907 -6.742 -4.391 1.00 0.00 O ATOM 968 CB LYS A 76 20.146 -7.782 -3.288 1.00 0.00 C ATOM 969 CG LYS A 76 20.669 -8.958 -4.051 1.00 0.00 C ATOM 970 CD LYS A 76 19.498 -9.581 -4.775 1.00 0.00 C ATOM 971 CE LYS A 76 19.863 -10.842 -5.524 1.00 0.00 C ATOM 972 NZ LYS A 76 20.279 -11.924 -4.621 1.00 0.00 N ATOM 0 H LYS A 76 19.463 -5.573 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 76 21.836 -7.256 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.546 -8.164 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.470 -7.235 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.437 -8.646 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.131 -9.679 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.713 -9.809 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.086 -8.856 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.008 -11.172 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.669 -10.626 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.373 -12.809 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.194 -11.683 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.565 -12.047 -3.874 1.00 0.00 H new ATOM 986 N ARG A 77 21.669 -4.873 -4.110 1.00 0.00 N ATOM 987 CA ARG A 77 22.226 -4.093 -5.228 1.00 0.00 C ATOM 988 C ARG A 77 23.726 -3.907 -5.078 1.00 0.00 C ATOM 989 O ARG A 77 24.435 -3.689 -6.054 1.00 0.00 O ATOM 990 CB ARG A 77 21.612 -2.714 -5.186 1.00 0.00 C ATOM 991 CG ARG A 77 21.315 -2.077 -6.511 1.00 0.00 C ATOM 992 CD ARG A 77 20.918 -0.636 -6.292 1.00 0.00 C ATOM 993 NE ARG A 77 20.069 -0.113 -7.355 1.00 0.00 N ATOM 994 CZ ARG A 77 20.447 0.735 -8.303 1.00 0.00 C ATOM 995 NH1 ARG A 77 21.740 0.911 -8.569 1.00 0.00 N ATOM 996 NH2 ARG A 77 19.529 1.353 -9.035 1.00 0.00 N ATOM 0 H ARG A 77 21.005 -4.342 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 77 22.014 -4.623 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.683 -2.770 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.284 -2.057 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.190 -2.131 -7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.512 -2.615 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.394 -0.550 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.817 -0.024 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 77 19.099 -0.427 -7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.444 0.393 -8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.026 1.564 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.539 1.175 -8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.814 2.006 -9.765 1.00 0.00 H new ATOM 1010 N THR A 78 24.177 -3.926 -3.829 1.00 0.00 N ATOM 1011 CA THR A 78 25.567 -3.677 -3.442 1.00 0.00 C ATOM 1012 C THR A 78 25.908 -2.156 -3.526 1.00 0.00 C ATOM 1013 O THR A 78 26.611 -1.615 -2.651 1.00 0.00 O ATOM 1014 CB THR A 78 26.570 -4.564 -4.230 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.153 -5.943 -4.110 1.00 0.00 O ATOM 1016 CG2 THR A 78 27.982 -4.426 -3.665 1.00 0.00 C ATOM 0 H THR A 78 23.571 -4.120 -3.032 1.00 0.00 H new ATOM 0 HA THR A 78 25.675 -3.972 -2.398 1.00 0.00 H new ATOM 0 HB THR A 78 26.580 -4.246 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 26.775 -6.517 -4.604 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.665 -5.057 -4.234 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.303 -3.387 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 78 27.988 -4.736 -2.620 1.00 0.00 H new ATOM 1024 N ASP A 79 25.361 -1.467 -4.531 1.00 0.00 N ATOM 1025 CA ASP A 79 25.505 -0.016 -4.649 1.00 0.00 C ATOM 1026 C ASP A 79 24.447 0.681 -3.829 1.00 0.00 C ATOM 1027 O ASP A 79 23.381 1.056 -4.321 1.00 0.00 O ATOM 1028 CB ASP A 79 25.465 0.491 -6.094 1.00 0.00 C ATOM 1029 CG ASP A 79 26.620 0.008 -6.928 1.00 0.00 C ATOM 1030 OD1 ASP A 79 26.524 -1.084 -7.519 1.00 0.00 O ATOM 1031 OD2 ASP A 79 27.658 0.695 -6.990 1.00 0.00 O ATOM 0 H ASP A 79 24.812 -1.894 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 79 26.497 0.223 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 79 24.532 0.171 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 79 25.461 1.581 -6.089 1.00 0.00 H new ATOM 1036 N LEU A 80 24.715 0.724 -2.581 1.00 0.00 N ATOM 1037 CA LEU A 80 23.939 1.373 -1.567 1.00 0.00 C ATOM 1038 C LEU A 80 24.884 1.502 -0.450 1.00 0.00 C ATOM 1039 O LEU A 80 25.883 0.765 -0.393 1.00 0.00 O ATOM 1040 CB LEU A 80 22.722 0.505 -1.082 1.00 0.00 C ATOM 1041 CG LEU A 80 23.033 -0.746 -0.198 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.780 -1.257 0.471 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.631 -1.873 -1.006 1.00 0.00 C ATOM 0 H LEU A 80 25.547 0.274 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 80 23.520 2.309 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.049 1.154 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.178 0.167 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 80 23.755 -0.422 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.022 -2.128 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.361 -0.475 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.050 -1.538 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.832 -2.722 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.931 -2.173 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.562 -1.539 -1.463 1.00 0.00 H new ATOM 1055 N ASP A 81 24.638 2.417 0.374 1.00 0.00 N ATOM 1056 CA ASP A 81 25.397 2.559 1.546 1.00 0.00 C ATOM 1057 C ASP A 81 24.391 2.445 2.642 1.00 0.00 C ATOM 1058 O ASP A 81 23.219 2.099 2.369 1.00 0.00 O ATOM 1059 CB ASP A 81 26.090 3.927 1.574 1.00 0.00 C ATOM 1060 CG ASP A 81 27.282 3.979 2.511 1.00 0.00 C ATOM 1061 OD1 ASP A 81 27.104 4.118 3.742 1.00 0.00 O ATOM 1062 OD2 ASP A 81 28.422 3.905 2.020 1.00 0.00 O ATOM 0 H ASP A 81 23.894 3.106 0.262 1.00 0.00 H new ATOM 0 HA ASP A 81 26.190 1.816 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.418 4.181 0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.368 4.686 1.874 1.00 0.00 H new ATOM 1067 N LEU A 82 24.768 2.780 3.826 1.00 0.00 N ATOM 1068 CA LEU A 82 23.887 2.734 4.957 1.00 0.00 C ATOM 1069 C LEU A 82 22.717 3.692 4.727 1.00 0.00 C ATOM 1070 O LEU A 82 21.606 3.429 5.127 1.00 0.00 O ATOM 1071 CB LEU A 82 24.667 3.070 6.227 1.00 0.00 C ATOM 1072 CG LEU A 82 25.900 2.185 6.491 1.00 0.00 C ATOM 1073 CD1 LEU A 82 26.596 2.587 7.772 1.00 0.00 C ATOM 1074 CD2 LEU A 82 25.522 0.714 6.533 1.00 0.00 C ATOM 0 H LEU A 82 25.711 3.100 4.047 1.00 0.00 H new ATOM 0 HA LEU A 82 23.476 1.732 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.991 4.109 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 82 23.993 2.991 7.080 1.00 0.00 H new ATOM 0 HG LEU A 82 26.593 2.335 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 82 27.462 1.945 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.922 3.625 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.906 2.481 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.413 0.115 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.798 0.547 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 82 25.084 0.423 5.578 1.00 0.00 H new ATOM 1086 N LEU A 83 22.992 4.757 3.985 1.00 0.00 N ATOM 1087 CA LEU A 83 22.004 5.789 3.649 1.00 0.00 C ATOM 1088 C LEU A 83 20.847 5.234 2.851 1.00 0.00 C ATOM 1089 O LEU A 83 19.678 5.465 3.176 1.00 0.00 O ATOM 1090 CB LEU A 83 22.658 6.872 2.778 1.00 0.00 C ATOM 1091 CG LEU A 83 23.708 7.803 3.429 1.00 0.00 C ATOM 1092 CD1 LEU A 83 23.170 8.458 4.690 1.00 0.00 C ATOM 1093 CD2 LEU A 83 25.025 7.096 3.696 1.00 0.00 C ATOM 0 H LEU A 83 23.916 4.936 3.592 1.00 0.00 H new ATOM 0 HA LEU A 83 21.640 6.188 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 83 23.133 6.376 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.863 7.499 2.374 1.00 0.00 H new ATOM 0 HG LEU A 83 23.913 8.591 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.935 9.104 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 83 22.290 9.052 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 83 22.898 7.688 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.726 7.794 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 24.857 6.256 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 83 25.438 6.730 2.756 1.00 0.00 H new ATOM 1105 N GLU A 84 21.154 4.513 1.818 1.00 0.00 N ATOM 1106 CA GLU A 84 20.121 3.941 1.016 1.00 0.00 C ATOM 1107 C GLU A 84 19.448 2.808 1.713 1.00 0.00 C ATOM 1108 O GLU A 84 18.243 2.678 1.654 1.00 0.00 O ATOM 1109 CB GLU A 84 20.564 3.624 -0.378 1.00 0.00 C ATOM 1110 CG GLU A 84 20.778 4.869 -1.202 1.00 0.00 C ATOM 1111 CD GLU A 84 21.030 4.564 -2.633 1.00 0.00 C ATOM 1112 OE1 GLU A 84 20.064 4.301 -3.374 1.00 0.00 O ATOM 1113 OE2 GLU A 84 22.183 4.596 -3.051 1.00 0.00 O ATOM 0 H GLU A 84 22.105 4.308 1.513 1.00 0.00 H new ATOM 0 HA GLU A 84 19.358 4.708 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.490 3.050 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.817 2.994 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.901 5.511 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.622 5.428 -0.798 1.00 0.00 H new ATOM 1120 N LYS A 85 20.233 2.037 2.440 1.00 0.00 N ATOM 1121 CA LYS A 85 19.735 0.938 3.236 1.00 0.00 C ATOM 1122 C LYS A 85 18.731 1.466 4.239 1.00 0.00 C ATOM 1123 O LYS A 85 17.688 0.854 4.474 1.00 0.00 O ATOM 1124 CB LYS A 85 20.893 0.222 3.938 1.00 0.00 C ATOM 1125 CG LYS A 85 20.465 -0.940 4.822 1.00 0.00 C ATOM 1126 CD LYS A 85 21.652 -1.649 5.459 1.00 0.00 C ATOM 1127 CE LYS A 85 22.512 -2.371 4.433 1.00 0.00 C ATOM 1128 NZ LYS A 85 23.652 -3.067 5.063 1.00 0.00 N ATOM 0 H LYS A 85 21.244 2.159 2.494 1.00 0.00 H new ATOM 0 HA LYS A 85 19.240 0.212 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.588 -0.147 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.437 0.945 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.801 -0.573 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.894 -1.654 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.262 -0.922 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.291 -2.366 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.901 -3.092 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.884 -1.654 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.214 -3.547 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.249 -2.376 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.297 -3.770 5.743 1.00 0.00 H new ATOM 1142 N PHE A 86 19.022 2.651 4.764 1.00 0.00 N ATOM 1143 CA PHE A 86 18.153 3.303 5.701 1.00 0.00 C ATOM 1144 C PHE A 86 16.812 3.617 5.047 1.00 0.00 C ATOM 1145 O PHE A 86 15.779 3.467 5.649 1.00 0.00 O ATOM 1146 CB PHE A 86 18.816 4.573 6.269 1.00 0.00 C ATOM 1147 CG PHE A 86 17.988 5.343 7.268 1.00 0.00 C ATOM 1148 CD1 PHE A 86 18.009 5.003 8.607 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.195 6.410 6.865 1.00 0.00 C ATOM 1150 CE1 PHE A 86 17.257 5.706 9.527 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.443 7.118 7.779 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.473 6.764 9.113 1.00 0.00 C ATOM 0 H PHE A 86 19.869 3.175 4.544 1.00 0.00 H new ATOM 0 HA PHE A 86 17.970 2.628 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.756 4.291 6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.063 5.236 5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.621 4.177 8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.167 6.689 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 86 17.282 5.428 10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.833 7.947 7.452 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.884 7.314 9.832 1.00 0.00 H new ATOM 1162 N ASN A 87 16.865 3.994 3.798 1.00 0.00 N ATOM 1163 CA ASN A 87 15.703 4.340 3.004 1.00 0.00 C ATOM 1164 C ASN A 87 14.928 3.118 2.616 1.00 0.00 C ATOM 1165 O ASN A 87 13.735 3.172 2.496 1.00 0.00 O ATOM 1166 CB ASN A 87 16.066 5.169 1.764 1.00 0.00 C ATOM 1167 CG ASN A 87 16.265 6.645 2.067 1.00 0.00 C ATOM 1168 OD1 ASN A 87 15.321 7.433 1.985 1.00 0.00 O ATOM 1169 ND2 ASN A 87 17.465 7.033 2.431 1.00 0.00 N ATOM 0 H ASN A 87 17.742 4.073 3.283 1.00 0.00 H new ATOM 0 HA ASN A 87 15.070 4.965 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.979 4.769 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.278 5.061 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.638 8.013 2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.225 6.355 2.489 1.00 0.00 H new ATOM 1176 N PHE A 88 15.610 2.014 2.417 1.00 0.00 N ATOM 1177 CA PHE A 88 14.933 0.762 2.081 1.00 0.00 C ATOM 1178 C PHE A 88 14.226 0.256 3.295 1.00 0.00 C ATOM 1179 O PHE A 88 13.084 -0.181 3.218 1.00 0.00 O ATOM 1180 CB PHE A 88 15.896 -0.300 1.541 1.00 0.00 C ATOM 1181 CG PHE A 88 16.775 0.205 0.448 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.326 1.162 -0.446 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.064 -0.236 0.344 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.157 1.665 -1.401 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.890 0.255 -0.620 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.441 1.207 -1.481 1.00 0.00 C ATOM 0 H PHE A 88 16.626 1.947 2.479 1.00 0.00 H new ATOM 0 HA PHE A 88 14.219 0.965 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.517 -0.667 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.320 -1.149 1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.307 1.513 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.431 -0.982 1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.804 2.419 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.903 -0.112 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.105 1.604 -2.234 1.00 0.00 H new ATOM 1196 N GLU A 89 14.880 0.376 4.437 1.00 0.00 N ATOM 1197 CA GLU A 89 14.271 0.027 5.679 1.00 0.00 C ATOM 1198 C GLU A 89 13.175 1.019 5.981 1.00 0.00 C ATOM 1199 O GLU A 89 12.144 0.666 6.579 1.00 0.00 O ATOM 1200 CB GLU A 89 15.293 -0.089 6.812 1.00 0.00 C ATOM 1201 CG GLU A 89 16.241 -1.262 6.616 1.00 0.00 C ATOM 1202 CD GLU A 89 17.215 -1.447 7.749 1.00 0.00 C ATOM 1203 OE1 GLU A 89 16.800 -1.881 8.844 1.00 0.00 O ATOM 1204 OE2 GLU A 89 18.420 -1.223 7.551 1.00 0.00 O ATOM 0 H GLU A 89 15.838 0.716 4.515 1.00 0.00 H new ATOM 0 HA GLU A 89 13.829 -0.966 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.869 0.834 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.769 -0.203 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.657 -2.175 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.797 -1.118 5.690 1.00 0.00 H new ATOM 1211 N ALA A 90 13.372 2.263 5.534 1.00 0.00 N ATOM 1212 CA ALA A 90 12.342 3.273 5.719 1.00 0.00 C ATOM 1213 C ALA A 90 11.128 2.935 4.855 1.00 0.00 C ATOM 1214 O ALA A 90 9.987 3.033 5.292 1.00 0.00 O ATOM 1215 CB ALA A 90 12.849 4.677 5.413 1.00 0.00 C ATOM 0 H ALA A 90 14.214 2.583 5.055 1.00 0.00 H new ATOM 0 HA ALA A 90 12.052 3.266 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.044 5.396 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.680 4.916 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.186 4.724 4.378 1.00 0.00 H new ATOM 1221 N ALA A 91 11.392 2.497 3.640 1.00 0.00 N ATOM 1222 CA ALA A 91 10.368 2.092 2.695 1.00 0.00 C ATOM 1223 C ALA A 91 9.616 0.897 3.207 1.00 0.00 C ATOM 1224 O ALA A 91 8.393 0.847 3.133 1.00 0.00 O ATOM 1225 CB ALA A 91 10.983 1.767 1.360 1.00 0.00 C ATOM 0 H ALA A 91 12.340 2.411 3.275 1.00 0.00 H new ATOM 0 HA ALA A 91 9.672 2.923 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.201 1.465 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.495 2.647 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.698 0.953 1.477 1.00 0.00 H new ATOM 1231 N LEU A 92 10.341 -0.061 3.753 1.00 0.00 N ATOM 1232 CA LEU A 92 9.730 -1.239 4.326 1.00 0.00 C ATOM 1233 C LEU A 92 8.783 -0.848 5.434 1.00 0.00 C ATOM 1234 O LEU A 92 7.717 -1.415 5.549 1.00 0.00 O ATOM 1235 CB LEU A 92 10.771 -2.251 4.828 1.00 0.00 C ATOM 1236 CG LEU A 92 11.697 -2.873 3.773 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.696 -3.812 4.426 1.00 0.00 C ATOM 1238 CD2 LEU A 92 10.894 -3.609 2.708 1.00 0.00 C ATOM 0 H LEU A 92 11.359 -0.043 3.810 1.00 0.00 H new ATOM 0 HA LEU A 92 9.167 -1.734 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.392 -1.757 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.243 -3.059 5.335 1.00 0.00 H new ATOM 0 HG LEU A 92 12.245 -2.065 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.343 -4.243 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.301 -3.258 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.162 -4.610 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.574 -4.040 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.313 -4.404 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.220 -2.910 2.213 1.00 0.00 H new ATOM 1250 N ALA A 93 9.148 0.173 6.182 1.00 0.00 N ATOM 1251 CA ALA A 93 8.313 0.667 7.260 1.00 0.00 C ATOM 1252 C ALA A 93 7.120 1.423 6.709 1.00 0.00 C ATOM 1253 O ALA A 93 6.009 1.288 7.205 1.00 0.00 O ATOM 1254 CB ALA A 93 9.110 1.547 8.207 1.00 0.00 C ATOM 0 H ALA A 93 10.024 0.681 6.062 1.00 0.00 H new ATOM 0 HA ALA A 93 7.948 -0.192 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.460 1.904 9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.930 0.971 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.513 2.399 7.659 1.00 0.00 H new ATOM 1260 N THR A 94 7.348 2.158 5.637 1.00 0.00 N ATOM 1261 CA THR A 94 6.329 2.964 5.039 1.00 0.00 C ATOM 1262 C THR A 94 5.257 2.063 4.439 1.00 0.00 C ATOM 1263 O THR A 94 4.045 2.279 4.637 1.00 0.00 O ATOM 1264 CB THR A 94 6.930 3.896 3.962 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.998 4.660 4.544 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.883 4.860 3.419 1.00 0.00 C ATOM 0 H THR A 94 8.250 2.205 5.164 1.00 0.00 H new ATOM 0 HA THR A 94 5.876 3.593 5.805 1.00 0.00 H new ATOM 0 HB THR A 94 7.296 3.278 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.707 4.054 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.336 5.502 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.065 4.295 2.972 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.497 5.474 4.233 1.00 0.00 H new ATOM 1274 N GLY A 95 5.718 1.015 3.764 1.00 0.00 N ATOM 1275 CA GLY A 95 4.842 0.070 3.169 1.00 0.00 C ATOM 1276 C GLY A 95 4.117 -0.717 4.208 1.00 0.00 C ATOM 1277 O GLY A 95 2.958 -0.983 4.062 1.00 0.00 O ATOM 0 H GLY A 95 6.709 0.817 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.124 0.586 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.410 -0.604 2.528 1.00 0.00 H new ATOM 1281 N ASP A 96 4.816 -1.047 5.278 1.00 0.00 N ATOM 1282 CA ASP A 96 4.260 -1.833 6.375 1.00 0.00 C ATOM 1283 C ASP A 96 3.095 -1.121 7.017 1.00 0.00 C ATOM 1284 O ASP A 96 2.033 -1.703 7.204 1.00 0.00 O ATOM 1285 CB ASP A 96 5.335 -2.114 7.422 1.00 0.00 C ATOM 1286 CG ASP A 96 4.832 -2.927 8.576 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.636 -4.136 8.421 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.639 -2.386 9.667 1.00 0.00 O ATOM 0 H ASP A 96 5.790 -0.778 5.416 1.00 0.00 H new ATOM 0 HA ASP A 96 3.902 -2.777 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.165 -2.639 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.727 -1.168 7.795 1.00 0.00 H new ATOM 1293 N LEU A 97 3.283 0.149 7.303 1.00 0.00 N ATOM 1294 CA LEU A 97 2.256 0.946 7.942 1.00 0.00 C ATOM 1295 C LEU A 97 1.020 1.068 7.088 1.00 0.00 C ATOM 1296 O LEU A 97 -0.095 0.847 7.575 1.00 0.00 O ATOM 1297 CB LEU A 97 2.781 2.318 8.344 1.00 0.00 C ATOM 1298 CG LEU A 97 3.903 2.308 9.376 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.300 3.723 9.747 1.00 0.00 C ATOM 1300 CD2 LEU A 97 3.481 1.513 10.606 1.00 0.00 C ATOM 0 H LEU A 97 4.145 0.656 7.101 1.00 0.00 H new ATOM 0 HA LEU A 97 1.970 0.418 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.137 2.829 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.952 2.905 8.738 1.00 0.00 H new ATOM 0 HG LEU A 97 4.776 1.822 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.102 3.694 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.644 4.250 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.440 4.244 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.291 1.514 11.335 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.595 1.969 11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.255 0.487 10.316 1.00 0.00 H new ATOM 1312 N LEU A 98 1.196 1.397 5.821 1.00 0.00 N ATOM 1313 CA LEU A 98 0.054 1.516 4.940 1.00 0.00 C ATOM 1314 C LEU A 98 -0.542 0.135 4.649 1.00 0.00 C ATOM 1315 O LEU A 98 -1.710 0.023 4.404 1.00 0.00 O ATOM 1316 CB LEU A 98 0.408 2.271 3.648 1.00 0.00 C ATOM 1317 CG LEU A 98 1.241 1.509 2.628 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.353 0.732 1.648 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.222 2.414 1.906 1.00 0.00 C ATOM 0 H LEU A 98 2.100 1.583 5.388 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.706 2.110 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.520 2.582 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.946 3.179 3.919 1.00 0.00 H new ATOM 0 HG LEU A 98 1.835 0.778 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.980 0.199 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.258 0.017 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.295 1.427 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.796 1.829 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.676 3.198 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.900 2.866 2.630 1.00 0.00 H new ATOM 1331 N LEU A 99 0.286 -0.918 4.675 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.192 -2.275 4.445 1.00 0.00 C ATOM 1333 C LEU A 99 -1.037 -2.734 5.569 1.00 0.00 C ATOM 1334 O LEU A 99 -2.041 -3.422 5.369 1.00 0.00 O ATOM 1335 CB LEU A 99 0.933 -3.271 4.160 1.00 0.00 C ATOM 1336 CG LEU A 99 1.336 -3.421 2.699 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.534 -4.335 2.584 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.175 -3.989 1.894 1.00 0.00 C ATOM 0 H LEU A 99 1.288 -0.849 4.853 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.800 -2.238 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.812 -2.969 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.630 -4.249 4.535 1.00 0.00 H new ATOM 0 HG LEU A 99 1.598 -2.440 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.815 -4.436 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.368 -3.913 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.284 -5.316 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.472 -4.093 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.100 -4.966 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.679 -3.316 1.963 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.649 -2.337 6.740 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.403 -2.599 7.904 1.00 0.00 C ATOM 1352 C LYS A 100 -2.669 -1.798 7.862 1.00 0.00 C ATOM 1353 O LYS A 100 -3.704 -2.262 8.294 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.595 -2.310 9.163 1.00 0.00 C ATOM 1355 CG LYS A 100 0.411 -3.392 9.515 1.00 0.00 C ATOM 1356 CD LYS A 100 1.354 -2.928 10.609 1.00 0.00 C ATOM 1357 CE LYS A 100 2.120 -4.086 11.231 1.00 0.00 C ATOM 1358 NZ LYS A 100 2.843 -4.902 10.232 1.00 0.00 N ATOM 0 H LYS A 100 0.212 -1.816 6.906 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.659 -3.658 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.067 -1.365 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.281 -2.180 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.115 -4.289 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.984 -3.663 8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.060 -2.206 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.785 -2.412 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.833 -3.695 11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.425 -4.723 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.704 -5.296 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.231 -5.679 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.103 -4.306 9.420 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.594 -0.606 7.268 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.773 0.254 7.199 1.00 0.00 C ATOM 1374 C ASP A 101 -4.749 -0.298 6.175 1.00 0.00 C ATOM 1375 O ASP A 101 -5.951 -0.351 6.397 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.398 1.687 6.836 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.573 2.627 6.942 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.835 3.134 8.062 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -5.236 2.900 5.942 1.00 0.00 O ATOM 0 H ASP A 101 -1.752 -0.223 6.838 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.240 0.268 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.600 2.030 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.005 1.712 5.819 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.188 -0.753 5.074 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.909 -1.331 3.964 1.00 0.00 C ATOM 1386 C LEU A 102 -5.681 -2.552 4.436 1.00 0.00 C ATOM 1387 O LEU A 102 -6.881 -2.679 4.195 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.905 -1.733 2.872 1.00 0.00 C ATOM 1389 CG LEU A 102 -4.473 -2.088 1.497 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -5.103 -0.863 0.852 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -3.386 -2.652 0.605 1.00 0.00 C ATOM 0 H LEU A 102 -3.179 -0.728 4.924 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.614 -0.604 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.198 -0.913 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -3.337 -2.590 3.234 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.244 -2.848 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.503 -1.132 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.910 -0.493 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.349 -0.085 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.807 -2.899 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.596 -1.911 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.972 -3.552 1.060 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.996 -3.436 5.147 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.628 -4.631 5.651 1.00 0.00 C ATOM 1405 C LYS A 103 -6.589 -4.320 6.793 1.00 0.00 C ATOM 1406 O LYS A 103 -7.599 -4.998 6.956 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.598 -5.689 6.041 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.813 -6.241 4.855 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.858 -7.338 5.282 1.00 0.00 C ATOM 1410 CE LYS A 103 -2.185 -8.005 4.085 1.00 0.00 C ATOM 1411 NZ LYS A 103 -1.302 -7.078 3.333 1.00 0.00 N ATOM 0 H LYS A 103 -4.008 -3.343 5.383 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.224 -5.051 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.900 -5.258 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.106 -6.511 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.505 -6.630 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.254 -5.435 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.096 -6.920 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.401 -8.088 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.600 -8.857 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.950 -8.395 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.819 -7.598 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.873 -6.313 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.595 -6.672 3.978 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.312 -3.262 7.540 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.181 -2.853 8.629 1.00 0.00 C ATOM 1427 C ALA A 104 -8.462 -2.291 8.074 1.00 0.00 C ATOM 1428 O ALA A 104 -9.547 -2.526 8.619 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.504 -1.835 9.528 1.00 0.00 C ATOM 0 H ALA A 104 -5.491 -2.671 7.410 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.404 -3.731 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.183 -1.551 10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.599 -2.270 9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.243 -0.952 8.945 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.354 -1.582 6.962 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.496 -1.028 6.329 1.00 0.00 C ATOM 1437 C LEU A 105 -10.287 -2.160 5.731 1.00 0.00 C ATOM 1438 O LEU A 105 -11.470 -2.077 5.644 1.00 0.00 O ATOM 1439 CB LEU A 105 -9.172 0.109 5.329 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.952 -0.258 3.863 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -10.271 -0.264 3.094 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.955 0.669 3.214 1.00 0.00 C ATOM 0 H LEU A 105 -7.471 -1.386 6.491 1.00 0.00 H new ATOM 0 HA LEU A 105 -10.106 -0.518 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.986 0.832 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.275 0.618 5.683 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.541 -1.267 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.084 -0.529 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.948 -0.994 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.724 0.726 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.818 0.384 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.324 1.693 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.001 0.601 3.737 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.594 -3.221 5.273 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.283 -4.423 4.787 1.00 0.00 C ATOM 1456 C GLN A 106 -11.140 -4.989 5.859 1.00 0.00 C ATOM 1457 O GLN A 106 -12.258 -5.319 5.610 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.344 -5.528 4.310 1.00 0.00 C ATOM 1459 CG GLN A 106 -8.533 -5.214 3.100 1.00 0.00 C ATOM 1460 CD GLN A 106 -7.690 -6.397 2.670 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -6.560 -6.554 3.100 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -8.238 -7.237 1.822 1.00 0.00 N ATOM 0 H GLN A 106 -8.576 -3.267 5.231 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.870 -4.092 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.664 -5.778 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.937 -6.419 4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.194 -4.922 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.886 -4.361 3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.186 -7.074 1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.715 -8.053 1.502 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.608 -5.079 7.052 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.345 -5.589 8.193 1.00 0.00 C ATOM 1473 C LYS A 107 -12.510 -4.663 8.515 1.00 0.00 C ATOM 1474 O LYS A 107 -13.524 -5.096 8.992 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.426 -5.772 9.405 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.166 -6.576 9.099 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.475 -7.966 8.553 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.205 -8.655 8.079 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.458 -10.039 7.640 1.00 0.00 N ATOM 0 H LYS A 107 -9.650 -4.801 7.265 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.745 -6.571 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.138 -4.791 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.981 -6.270 10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.559 -6.032 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.570 -6.671 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.953 -8.567 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.182 -7.888 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.770 -8.088 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.472 -8.659 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.566 -10.472 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.849 -10.588 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.138 -10.035 6.853 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.320 -3.388 8.264 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.339 -2.361 8.433 1.00 0.00 C ATOM 1495 C ARG A 108 -14.428 -2.562 7.389 1.00 0.00 C ATOM 1496 O ARG A 108 -15.609 -2.583 7.699 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.695 -0.980 8.292 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.654 0.196 8.263 1.00 0.00 C ATOM 1499 CD ARG A 108 -12.883 1.477 8.017 1.00 0.00 C ATOM 1500 NE ARG A 108 -13.748 2.640 7.812 1.00 0.00 N ATOM 1501 CZ ARG A 108 -13.312 3.879 7.554 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -12.007 4.135 7.531 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -14.182 4.858 7.343 1.00 0.00 N ATOM 0 H ARG A 108 -11.430 -3.020 7.927 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.788 -2.433 9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.000 -0.838 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.106 -0.967 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.398 0.052 7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.194 0.261 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.225 1.666 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.246 1.348 7.142 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.756 2.496 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.337 3.387 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.676 5.080 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.183 4.667 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.850 5.802 7.146 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.998 -2.738 6.150 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.861 -2.994 5.044 1.00 0.00 C ATOM 1519 C VAL A 109 -15.665 -4.249 5.301 1.00 0.00 C ATOM 1520 O VAL A 109 -16.896 -4.239 5.222 1.00 0.00 O ATOM 1521 CB VAL A 109 -14.039 -3.098 3.719 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.853 -3.674 2.587 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.548 -1.729 3.324 1.00 0.00 C ATOM 0 H VAL A 109 -13.011 -2.703 5.895 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.557 -2.162 4.931 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.201 -3.770 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.239 -3.727 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.191 -4.675 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.717 -3.037 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.975 -1.801 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.400 -1.067 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.914 -1.328 4.114 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.951 -5.258 5.699 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.458 -6.559 6.028 1.00 0.00 C ATOM 1535 C GLN A 110 -16.417 -6.478 7.211 1.00 0.00 C ATOM 1536 O GLN A 110 -17.416 -7.185 7.270 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.252 -7.444 6.337 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.552 -8.783 6.908 1.00 0.00 C ATOM 1539 CD GLN A 110 -13.319 -9.635 7.067 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -12.344 -9.515 6.308 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -13.338 -10.495 8.038 1.00 0.00 N ATOM 0 H GLN A 110 -13.939 -5.193 5.810 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.027 -6.980 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.684 -7.583 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.605 -6.911 7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.032 -8.661 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.264 -9.298 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.157 -10.565 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.534 -11.101 8.198 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.121 -5.587 8.121 1.00 0.00 N ATOM 1551 CA ASP A 111 -16.928 -5.378 9.305 1.00 0.00 C ATOM 1552 C ASP A 111 -18.252 -4.695 8.975 1.00 0.00 C ATOM 1553 O ASP A 111 -19.310 -5.068 9.501 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.154 -4.558 10.342 1.00 0.00 C ATOM 1555 CG ASP A 111 -16.954 -4.193 11.565 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.027 -5.003 12.513 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -17.487 -3.080 11.625 1.00 0.00 O ATOM 0 H ASP A 111 -15.305 -4.977 8.065 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.156 -6.359 9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.275 -5.123 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.795 -3.643 9.870 1.00 0.00 H new ATOM 1562 N SER A 112 -18.189 -3.723 8.086 1.00 0.00 N ATOM 1563 CA SER A 112 -19.342 -2.931 7.714 1.00 0.00 C ATOM 1564 C SER A 112 -20.330 -3.694 6.812 1.00 0.00 C ATOM 1565 O SER A 112 -21.505 -3.341 6.752 1.00 0.00 O ATOM 1566 CB SER A 112 -18.888 -1.650 7.032 1.00 0.00 C ATOM 1567 OG SER A 112 -17.947 -0.954 7.839 1.00 0.00 O ATOM 0 H SER A 112 -17.332 -3.460 7.600 1.00 0.00 H new ATOM 0 HA SER A 112 -19.878 -2.694 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.441 -1.886 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.750 -1.011 6.837 1.00 0.00 H new ATOM 0 HG SER A 112 -17.100 -1.447 7.853 1.00 0.00 H new ATOM 1573 N GLU A 113 -19.855 -4.682 6.076 1.00 0.00 N ATOM 1574 CA GLU A 113 -20.737 -5.410 5.196 1.00 0.00 C ATOM 1575 C GLU A 113 -21.472 -6.541 5.929 1.00 0.00 C ATOM 1576 O GLU A 113 -20.934 -7.667 6.069 1.00 0.00 O ATOM 1577 CB GLU A 113 -20.033 -5.868 3.902 1.00 0.00 C ATOM 1578 CG GLU A 113 -18.796 -6.729 4.084 1.00 0.00 C ATOM 1579 CD GLU A 113 -18.170 -7.087 2.766 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -18.776 -7.857 1.997 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -17.057 -6.617 2.472 1.00 0.00 O ATOM 1582 OXT GLU A 113 -22.602 -6.297 6.407 1.00 0.00 O ATOM 0 H GLU A 113 -18.883 -4.991 6.072 1.00 0.00 H new ATOM 0 HA GLU A 113 -21.511 -4.715 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -20.751 -6.423 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -19.754 -4.982 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.070 -6.198 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.062 -7.640 4.620 1.00 0.00 H new TER 1589 GLU A 113