USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 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 60 ASN : amide:sc= 0.708 K(o=1.5,f=-0.94) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.83 K(o=1.5,f=-0.56) USER MOD Set 2.1: A 55 THR OG1 : rot 133:sc= 1.24 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.01 USER MOD Set 3.1: A 40 GLN : amide:sc= 0.775 K(o=1.6,f=-1.5) USER MOD Set 3.2: A 41 ASN : amide:sc= 0.85 K(o=1.6,f=-0.68) USER MOD Set 4.1: A 22 THR OG1 : rot 122:sc= 1.58 USER MOD Set 4.2: A 25 ASN : amide:sc= 0.391 K(o=2,f=1.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -78:sc= 0.131 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 1.26 (180deg=0.384) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 2.17 (180deg=1.85) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0601 K(o=-0.06,f=-3!) USER MOD Single : A 59 TYR OH : rot -153:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.531 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.959 -10.318 4.433 1.00 0.00 N ATOM 21 CA GLN A 2 -3.585 -9.813 4.321 1.00 0.00 C ATOM 22 C GLN A 2 -3.204 -9.463 2.877 1.00 0.00 C ATOM 23 O GLN A 2 -3.609 -10.157 1.942 1.00 0.00 O ATOM 24 CB GLN A 2 -2.580 -10.793 4.942 1.00 0.00 C ATOM 25 CG GLN A 2 -2.583 -10.729 6.480 1.00 0.00 C ATOM 26 CD GLN A 2 -2.686 -12.113 7.101 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.770 -12.595 7.401 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.610 -12.873 7.113 1.00 0.00 N ATOM 0 HA GLN A 2 -3.545 -8.883 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.818 -11.807 4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.580 -10.568 4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.671 -10.242 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.419 -10.116 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.703 -12.477 6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.684 -13.857 7.371 1.00 0.00 H new ATOM 37 N ILE A 3 -2.402 -8.410 2.720 1.00 0.00 N ATOM 38 CA ILE A 3 -1.867 -7.904 1.445 1.00 0.00 C ATOM 39 C ILE A 3 -0.408 -7.466 1.654 1.00 0.00 C ATOM 40 O ILE A 3 0.005 -7.176 2.782 1.00 0.00 O ATOM 41 CB ILE A 3 -2.740 -6.755 0.868 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.739 -5.500 1.772 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.169 -7.245 0.576 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.521 -4.307 1.210 1.00 0.00 C ATOM 0 H ILE A 3 -2.089 -7.855 3.516 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.895 -8.703 0.704 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.288 -6.451 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.158 -5.767 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.707 -5.193 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.760 -6.423 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.134 -8.057 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.626 -7.603 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.466 -3.473 1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.091 -4.008 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.563 -4.591 1.066 1.00 0.00 H new ATOM 56 N PHE A 4 0.366 -7.412 0.567 1.00 0.00 N ATOM 57 CA PHE A 4 1.812 -7.169 0.587 1.00 0.00 C ATOM 58 C PHE A 4 2.272 -5.924 -0.181 1.00 0.00 C ATOM 59 O PHE A 4 1.808 -5.714 -1.297 1.00 0.00 O ATOM 60 CB PHE A 4 2.556 -8.426 0.116 1.00 0.00 C ATOM 61 CG PHE A 4 2.439 -9.613 1.053 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.136 -9.632 2.277 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.616 -10.700 0.704 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.001 -10.729 3.146 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.471 -11.787 1.582 1.00 0.00 C ATOM 66 CZ PHE A 4 2.154 -11.799 2.810 1.00 0.00 C ATOM 0 H PHE A 4 -0.004 -7.539 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 4 2.066 -6.951 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.174 -8.713 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.611 -8.182 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.774 -8.804 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.094 -10.698 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.550 -10.749 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.833 -12.616 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.029 -12.627 3.492 1.00 0.00 H new ATOM 76 N VAL A 5 3.209 -5.130 0.352 1.00 0.00 N ATOM 77 CA VAL A 5 3.839 -4.001 -0.372 1.00 0.00 C ATOM 78 C VAL A 5 5.318 -4.242 -0.675 1.00 0.00 C ATOM 79 O VAL A 5 6.092 -4.544 0.232 1.00 0.00 O ATOM 80 CB VAL A 5 3.603 -2.631 0.301 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.936 -1.480 -0.661 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.157 -2.448 0.784 1.00 0.00 C ATOM 0 H VAL A 5 3.559 -5.247 1.303 1.00 0.00 H new ATOM 0 HA VAL A 5 3.324 -3.958 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 5 4.266 -2.609 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.761 -0.527 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.982 -1.547 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.301 -1.549 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.050 -1.468 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.478 -2.524 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.916 -3.223 1.512 1.00 0.00 H new ATOM 92 N LYS A 6 5.717 -4.086 -1.943 1.00 0.00 N ATOM 93 CA LYS A 6 7.067 -4.305 -2.470 1.00 0.00 C ATOM 94 C LYS A 6 7.778 -2.964 -2.535 1.00 0.00 C ATOM 95 O LYS A 6 7.375 -2.097 -3.305 1.00 0.00 O ATOM 96 CB LYS A 6 6.926 -4.988 -3.847 1.00 0.00 C ATOM 97 CG LYS A 6 8.086 -4.838 -4.837 1.00 0.00 C ATOM 98 CD LYS A 6 9.317 -5.681 -4.481 1.00 0.00 C ATOM 99 CE LYS A 6 10.346 -5.474 -5.599 1.00 0.00 C ATOM 100 NZ LYS A 6 11.148 -6.684 -5.918 1.00 0.00 N ATOM 0 H LYS A 6 5.067 -3.786 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 6 7.668 -4.956 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.764 -6.053 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.026 -4.600 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.741 -5.118 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.377 -3.789 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.728 -5.375 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.050 -6.734 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.827 -5.148 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.022 -4.669 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.819 -6.464 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.672 -6.986 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.514 -7.450 -6.224 1.00 0.00 H new ATOM 114 N THR A 7 8.794 -2.769 -1.704 1.00 0.00 N ATOM 115 CA THR A 7 9.538 -1.502 -1.636 1.00 0.00 C ATOM 116 C THR A 7 10.647 -1.333 -2.685 1.00 0.00 C ATOM 117 O THR A 7 10.860 -2.198 -3.532 1.00 0.00 O ATOM 118 CB THR A 7 10.025 -1.214 -0.203 1.00 0.00 C ATOM 119 OG1 THR A 7 11.258 -1.860 0.016 1.00 0.00 O ATOM 120 CG2 THR A 7 9.075 -1.627 0.922 1.00 0.00 C ATOM 0 H THR A 7 9.131 -3.480 -1.055 1.00 0.00 H new ATOM 0 HA THR A 7 8.814 -0.734 -1.909 1.00 0.00 H new ATOM 0 HB THR A 7 10.099 -0.127 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.103 -2.814 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.521 -1.377 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.129 -1.098 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.898 -2.701 0.873 1.00 0.00 H new ATOM 128 N LEU A 8 11.379 -0.214 -2.612 1.00 0.00 N ATOM 129 CA LEU A 8 12.553 0.095 -3.444 1.00 0.00 C ATOM 130 C LEU A 8 13.777 -0.803 -3.139 1.00 0.00 C ATOM 131 O LEU A 8 14.773 -0.730 -3.864 1.00 0.00 O ATOM 132 CB LEU A 8 12.927 1.582 -3.235 1.00 0.00 C ATOM 133 CG LEU A 8 12.067 2.655 -3.932 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.116 2.547 -5.455 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.601 2.674 -3.488 1.00 0.00 C ATOM 0 H LEU A 8 11.163 0.530 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 8 12.282 -0.103 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.906 1.783 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.957 1.716 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 8 12.523 3.593 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.493 3.326 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.144 2.669 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.745 1.569 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.068 3.457 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.143 1.709 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.548 2.869 -2.417 1.00 0.00 H new ATOM 147 N THR A 9 13.733 -1.617 -2.080 1.00 0.00 N ATOM 148 CA THR A 9 14.794 -2.559 -1.667 1.00 0.00 C ATOM 149 C THR A 9 14.329 -4.015 -1.536 1.00 0.00 C ATOM 150 O THR A 9 13.159 -4.318 -1.773 1.00 0.00 O ATOM 151 CB THR A 9 15.636 -2.060 -0.471 1.00 0.00 C ATOM 152 OG1 THR A 9 15.092 -2.521 0.743 1.00 0.00 O ATOM 153 CG2 THR A 9 15.779 -0.545 -0.345 1.00 0.00 C ATOM 0 H THR A 9 12.926 -1.644 -1.457 1.00 0.00 H new ATOM 0 HA THR A 9 15.486 -2.575 -2.509 1.00 0.00 H new ATOM 0 HB THR A 9 16.628 -2.465 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.638 -2.198 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.388 -0.308 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.258 -0.149 -1.240 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.793 -0.095 -0.232 1.00 0.00 H new ATOM 161 N GLY A 10 15.226 -4.937 -1.173 1.00 0.00 N ATOM 162 CA GLY A 10 14.909 -6.346 -0.899 1.00 0.00 C ATOM 163 C GLY A 10 14.114 -6.573 0.396 1.00 0.00 C ATOM 164 O GLY A 10 14.541 -7.360 1.238 1.00 0.00 O ATOM 0 H GLY A 10 16.216 -4.721 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.339 -6.748 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.839 -6.912 -0.845 1.00 0.00 H new ATOM 168 N LYS A 11 12.986 -5.865 0.568 1.00 0.00 N ATOM 169 CA LYS A 11 12.040 -5.984 1.688 1.00 0.00 C ATOM 170 C LYS A 11 10.583 -5.788 1.259 1.00 0.00 C ATOM 171 O LYS A 11 10.271 -4.925 0.432 1.00 0.00 O ATOM 172 CB LYS A 11 12.405 -5.011 2.836 1.00 0.00 C ATOM 173 CG LYS A 11 13.558 -5.469 3.752 1.00 0.00 C ATOM 174 CD LYS A 11 13.192 -6.699 4.607 1.00 0.00 C ATOM 175 CE LYS A 11 14.389 -7.335 5.325 1.00 0.00 C ATOM 176 NZ LYS A 11 14.965 -6.468 6.379 1.00 0.00 N ATOM 0 H LYS A 11 12.695 -5.157 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 11 12.129 -7.007 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.670 -4.047 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.518 -4.851 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.430 -5.704 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.842 -4.647 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.450 -6.405 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.725 -7.448 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.077 -8.280 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.162 -7.568 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.769 -6.953 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.291 -5.576 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.240 -6.266 7.097 1.00 0.00 H new ATOM 190 N THR A 12 9.712 -6.565 1.903 1.00 0.00 N ATOM 191 CA THR A 12 8.257 -6.642 1.697 1.00 0.00 C ATOM 192 C THR A 12 7.476 -6.383 2.984 1.00 0.00 C ATOM 193 O THR A 12 7.844 -6.920 4.024 1.00 0.00 O ATOM 194 CB THR A 12 7.838 -7.983 1.070 1.00 0.00 C ATOM 195 OG1 THR A 12 8.728 -8.355 0.042 1.00 0.00 O ATOM 196 CG2 THR A 12 6.430 -7.974 0.478 1.00 0.00 C ATOM 0 H THR A 12 10.022 -7.204 2.635 1.00 0.00 H new ATOM 0 HA THR A 12 8.006 -5.848 0.994 1.00 0.00 H new ATOM 0 HB THR A 12 7.859 -8.696 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.445 -9.211 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.207 -8.953 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.708 -7.744 1.261 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.369 -7.218 -0.305 1.00 0.00 H new ATOM 204 N ILE A 13 6.422 -5.565 2.931 1.00 0.00 N ATOM 205 CA ILE A 13 5.606 -5.197 4.100 1.00 0.00 C ATOM 206 C ILE A 13 4.304 -5.999 4.111 1.00 0.00 C ATOM 207 O ILE A 13 3.575 -5.986 3.120 1.00 0.00 O ATOM 208 CB ILE A 13 5.283 -3.684 4.108 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.435 -2.777 3.622 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.760 -3.237 5.486 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.717 -2.845 4.466 1.00 0.00 C ATOM 0 H ILE A 13 6.104 -5.131 2.064 1.00 0.00 H new ATOM 0 HA ILE A 13 6.185 -5.430 4.994 1.00 0.00 H new ATOM 0 HB ILE A 13 4.492 -3.555 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.680 -3.046 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.083 -1.746 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.541 -2.169 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.851 -3.789 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.517 -3.436 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.466 -2.174 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.495 -2.544 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.101 -3.865 4.463 1.00 0.00 H new ATOM 223 N THR A 14 3.988 -6.638 5.236 1.00 0.00 N ATOM 224 CA THR A 14 2.671 -7.236 5.530 1.00 0.00 C ATOM 225 C THR A 14 1.662 -6.265 6.133 1.00 0.00 C ATOM 226 O THR A 14 1.962 -5.662 7.165 1.00 0.00 O ATOM 227 CB THR A 14 2.745 -8.512 6.397 1.00 0.00 C ATOM 228 OG1 THR A 14 3.926 -9.242 6.155 1.00 0.00 O ATOM 229 CG2 THR A 14 1.544 -9.437 6.197 1.00 0.00 C ATOM 0 H THR A 14 4.656 -6.762 5.996 1.00 0.00 H new ATOM 0 HA THR A 14 2.308 -7.518 4.542 1.00 0.00 H new ATOM 0 HB THR A 14 2.739 -8.158 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.939 -10.041 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.652 -10.316 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.629 -8.908 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.494 -9.747 5.153 1.00 0.00 H new ATOM 237 N LEU A 15 0.465 -6.151 5.558 1.00 0.00 N ATOM 238 CA LEU A 15 -0.672 -5.439 6.155 1.00 0.00 C ATOM 239 C LEU A 15 -1.789 -6.421 6.513 1.00 0.00 C ATOM 240 O LEU A 15 -1.958 -7.459 5.865 1.00 0.00 O ATOM 241 CB LEU A 15 -1.190 -4.368 5.179 1.00 0.00 C ATOM 242 CG LEU A 15 -0.381 -3.060 5.181 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.763 -2.225 3.959 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.665 -2.222 6.431 1.00 0.00 C ATOM 0 H LEU A 15 0.251 -6.557 4.647 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.340 -4.950 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.186 -4.781 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.227 -4.140 5.426 1.00 0.00 H new ATOM 0 HG LEU A 15 0.676 -3.327 5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.191 -1.297 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.544 -2.787 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.828 -1.994 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.075 -1.306 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.725 -1.970 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.397 -2.793 7.320 1.00 0.00 H new ATOM 256 N GLU A 16 -2.593 -6.050 7.506 1.00 0.00 N ATOM 257 CA GLU A 16 -3.765 -6.780 7.974 1.00 0.00 C ATOM 258 C GLU A 16 -4.990 -5.857 7.921 1.00 0.00 C ATOM 259 O GLU A 16 -5.099 -4.881 8.661 1.00 0.00 O ATOM 260 CB GLU A 16 -3.520 -7.469 9.338 1.00 0.00 C ATOM 261 CG GLU A 16 -2.827 -6.641 10.436 1.00 0.00 C ATOM 262 CD GLU A 16 -1.328 -6.427 10.175 1.00 0.00 C ATOM 263 OE1 GLU A 16 -0.510 -7.365 10.368 1.00 0.00 O ATOM 264 OE2 GLU A 16 -0.945 -5.305 9.771 1.00 0.00 O ATOM 0 H GLU A 16 -2.436 -5.190 8.031 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.974 -7.615 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.483 -7.802 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.921 -8.362 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.318 -5.671 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.955 -7.142 11.395 1.00 0.00 H new ATOM 271 N VAL A 17 -5.871 -6.144 6.958 1.00 0.00 N ATOM 272 CA VAL A 17 -7.031 -5.328 6.568 1.00 0.00 C ATOM 273 C VAL A 17 -8.222 -6.230 6.226 1.00 0.00 C ATOM 274 O VAL A 17 -8.079 -7.457 6.103 1.00 0.00 O ATOM 275 CB VAL A 17 -6.675 -4.373 5.401 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.486 -3.459 5.733 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.327 -5.088 4.089 1.00 0.00 C ATOM 0 H VAL A 17 -5.793 -6.994 6.400 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.318 -4.702 7.413 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.589 -3.795 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.277 -2.810 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.728 -2.850 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.608 -4.068 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.090 -4.349 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.465 -5.737 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.178 -5.687 3.764 1.00 0.00 H new ATOM 287 N GLU A 18 -9.397 -5.637 6.047 1.00 0.00 N ATOM 288 CA GLU A 18 -10.610 -6.326 5.591 1.00 0.00 C ATOM 289 C GLU A 18 -10.829 -6.167 4.066 1.00 0.00 C ATOM 290 O GLU A 18 -10.470 -5.140 3.499 1.00 0.00 O ATOM 291 CB GLU A 18 -11.821 -5.843 6.412 1.00 0.00 C ATOM 292 CG GLU A 18 -12.037 -6.665 7.692 1.00 0.00 C ATOM 293 CD GLU A 18 -10.839 -6.697 8.654 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.378 -5.614 9.084 1.00 0.00 O ATOM 295 OE2 GLU A 18 -10.431 -7.826 9.018 1.00 0.00 O ATOM 0 H GLU A 18 -9.541 -4.642 6.217 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.488 -7.396 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.680 -4.795 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.718 -5.897 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.899 -6.262 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.285 -7.688 7.411 1.00 0.00 H new ATOM 302 N PRO A 19 -11.436 -7.144 3.365 1.00 0.00 N ATOM 303 CA PRO A 19 -11.645 -7.075 1.905 1.00 0.00 C ATOM 304 C PRO A 19 -12.603 -5.952 1.468 1.00 0.00 C ATOM 305 O PRO A 19 -12.580 -5.531 0.312 1.00 0.00 O ATOM 306 CB PRO A 19 -12.173 -8.463 1.522 1.00 0.00 C ATOM 307 CG PRO A 19 -12.917 -8.916 2.779 1.00 0.00 C ATOM 308 CD PRO A 19 -12.071 -8.333 3.912 1.00 0.00 C ATOM 0 HA PRO A 19 -10.716 -6.825 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.835 -8.417 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.362 -9.145 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.938 -8.536 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.980 -10.002 2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.691 -8.084 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.326 -9.052 4.253 1.00 0.00 H new ATOM 316 N SER A 20 -13.435 -5.473 2.395 1.00 0.00 N ATOM 317 CA SER A 20 -14.305 -4.300 2.256 1.00 0.00 C ATOM 318 C SER A 20 -13.542 -2.983 2.254 1.00 0.00 C ATOM 319 O SER A 20 -14.128 -1.968 1.891 1.00 0.00 O ATOM 320 CB SER A 20 -15.323 -4.300 3.411 1.00 0.00 C ATOM 321 OG SER A 20 -14.648 -4.427 4.654 1.00 0.00 O ATOM 0 H SER A 20 -13.526 -5.914 3.310 1.00 0.00 H new ATOM 0 HA SER A 20 -14.802 -4.375 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.903 -3.377 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.028 -5.122 3.285 1.00 0.00 H new ATOM 0 HG SER A 20 -15.302 -4.424 5.383 1.00 0.00 H new ATOM 327 N ASP A 21 -12.284 -2.944 2.700 1.00 0.00 N ATOM 328 CA ASP A 21 -11.660 -1.664 3.055 1.00 0.00 C ATOM 329 C ASP A 21 -11.470 -0.691 1.869 1.00 0.00 C ATOM 330 O ASP A 21 -11.057 -1.042 0.746 1.00 0.00 O ATOM 331 CB ASP A 21 -10.374 -1.876 3.885 1.00 0.00 C ATOM 332 CG ASP A 21 -10.628 -2.284 5.347 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.804 -2.180 5.774 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.649 -2.656 6.047 1.00 0.00 O ATOM 0 H ASP A 21 -11.688 -3.763 2.823 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.378 -1.150 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.768 -2.644 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.791 -0.955 3.872 1.00 0.00 H new ATOM 339 N THR A 22 -11.776 0.576 2.149 1.00 0.00 N ATOM 340 CA THR A 22 -11.634 1.691 1.233 1.00 0.00 C ATOM 341 C THR A 22 -10.149 1.941 1.044 1.00 0.00 C ATOM 342 O THR A 22 -9.356 1.832 1.981 1.00 0.00 O ATOM 343 CB THR A 22 -12.310 2.954 1.777 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.971 3.141 3.121 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.831 2.868 1.686 1.00 0.00 C ATOM 0 H THR A 22 -12.144 0.857 3.058 1.00 0.00 H new ATOM 0 HA THR A 22 -12.117 1.449 0.286 1.00 0.00 H new ATOM 0 HB THR A 22 -11.961 3.787 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.549 4.018 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.271 3.783 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.127 2.744 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.183 2.015 2.267 1.00 0.00 H new ATOM 353 N ILE A 23 -9.762 2.329 -0.176 1.00 0.00 N ATOM 354 CA ILE A 23 -8.363 2.633 -0.508 1.00 0.00 C ATOM 355 C ILE A 23 -7.751 3.744 0.383 1.00 0.00 C ATOM 356 O ILE A 23 -6.541 3.739 0.619 1.00 0.00 O ATOM 357 CB ILE A 23 -8.272 2.916 -2.028 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.550 1.667 -2.898 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.937 3.535 -2.457 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.737 0.406 -2.582 1.00 0.00 C ATOM 0 H ILE A 23 -10.406 2.441 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.740 1.767 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.061 3.647 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.608 1.420 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.372 1.933 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.944 3.706 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.793 4.484 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.123 2.856 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.028 -0.394 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.675 0.618 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.930 0.097 -1.555 1.00 0.00 H new ATOM 372 N GLU A 24 -8.565 4.650 0.939 1.00 0.00 N ATOM 373 CA GLU A 24 -8.152 5.613 1.976 1.00 0.00 C ATOM 374 C GLU A 24 -7.900 4.987 3.365 1.00 0.00 C ATOM 375 O GLU A 24 -6.885 5.314 3.973 1.00 0.00 O ATOM 376 CB GLU A 24 -9.065 6.861 2.015 1.00 0.00 C ATOM 377 CG GLU A 24 -10.586 6.625 2.030 1.00 0.00 C ATOM 378 CD GLU A 24 -11.190 6.600 3.438 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.101 7.613 4.165 1.00 0.00 O ATOM 380 OE2 GLU A 24 -11.788 5.562 3.795 1.00 0.00 O ATOM 0 H GLU A 24 -9.547 4.739 0.678 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.167 5.964 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.805 7.441 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.828 7.479 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.072 7.409 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.803 5.679 1.534 1.00 0.00 H new ATOM 387 N ASN A 25 -8.698 4.013 3.828 1.00 0.00 N ATOM 388 CA ASN A 25 -8.395 3.253 5.058 1.00 0.00 C ATOM 389 C ASN A 25 -7.042 2.529 4.973 1.00 0.00 C ATOM 390 O ASN A 25 -6.249 2.565 5.914 1.00 0.00 O ATOM 391 CB ASN A 25 -9.523 2.243 5.351 1.00 0.00 C ATOM 392 CG ASN A 25 -10.441 2.738 6.443 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.196 2.530 7.623 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.531 3.380 6.109 1.00 0.00 N ATOM 0 H ASN A 25 -9.563 3.729 3.369 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.329 3.970 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.099 2.066 4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.089 1.287 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.173 3.705 6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.739 3.555 5.126 1.00 0.00 H new ATOM 401 N VAL A 26 -6.757 1.907 3.828 1.00 0.00 N ATOM 402 CA VAL A 26 -5.458 1.259 3.572 1.00 0.00 C ATOM 403 C VAL A 26 -4.307 2.272 3.532 1.00 0.00 C ATOM 404 O VAL A 26 -3.264 2.039 4.146 1.00 0.00 O ATOM 405 CB VAL A 26 -5.500 0.402 2.296 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.240 -0.460 2.151 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.711 -0.542 2.269 1.00 0.00 C ATOM 0 H VAL A 26 -7.414 1.835 3.051 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.263 0.591 4.411 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.569 1.113 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.307 -1.051 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.362 0.184 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.154 -1.127 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.697 -1.126 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.668 -1.214 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.630 0.043 2.313 1.00 0.00 H new ATOM 417 N LYS A 27 -4.505 3.427 2.874 1.00 0.00 N ATOM 418 CA LYS A 27 -3.549 4.550 2.895 1.00 0.00 C ATOM 419 C LYS A 27 -3.344 5.151 4.290 1.00 0.00 C ATOM 420 O LYS A 27 -2.304 5.763 4.489 1.00 0.00 O ATOM 421 CB LYS A 27 -3.984 5.664 1.909 1.00 0.00 C ATOM 422 CG LYS A 27 -2.966 5.914 0.783 1.00 0.00 C ATOM 423 CD LYS A 27 -3.057 4.939 -0.404 1.00 0.00 C ATOM 424 CE LYS A 27 -4.260 5.195 -1.330 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.179 6.485 -2.068 1.00 0.00 N ATOM 0 H LYS A 27 -5.335 3.610 2.310 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.593 4.130 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.944 5.394 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.137 6.590 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.101 6.930 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.962 5.859 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.140 5.007 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.116 3.920 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.335 4.379 -2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.174 5.182 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.059 7.021 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.375 7.039 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.047 6.297 -3.082 1.00 0.00 H new ATOM 439 N ALA A 28 -4.279 4.978 5.226 1.00 0.00 N ATOM 440 CA ALA A 28 -4.152 5.446 6.611 1.00 0.00 C ATOM 441 C ALA A 28 -3.428 4.431 7.522 1.00 0.00 C ATOM 442 O ALA A 28 -2.388 4.751 8.102 1.00 0.00 O ATOM 443 CB ALA A 28 -5.548 5.807 7.136 1.00 0.00 C ATOM 0 H ALA A 28 -5.161 4.501 5.042 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.520 6.334 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.470 6.157 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.977 6.594 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.189 4.926 7.100 1.00 0.00 H new ATOM 449 N LYS A 29 -3.916 3.179 7.609 1.00 0.00 N ATOM 450 CA LYS A 29 -3.335 2.103 8.453 1.00 0.00 C ATOM 451 C LYS A 29 -1.830 1.904 8.218 1.00 0.00 C ATOM 452 O LYS A 29 -1.105 1.586 9.159 1.00 0.00 O ATOM 453 CB LYS A 29 -4.090 0.774 8.200 1.00 0.00 C ATOM 454 CG LYS A 29 -5.538 0.702 8.743 1.00 0.00 C ATOM 455 CD LYS A 29 -6.359 -0.440 8.091 1.00 0.00 C ATOM 456 CE LYS A 29 -6.764 -1.649 8.962 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.809 -1.353 9.976 1.00 0.00 N ATOM 0 H LYS A 29 -4.739 2.876 7.088 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.454 2.412 9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.117 0.593 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.515 -0.038 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.511 0.555 9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.038 1.654 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.272 -0.002 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.785 -0.819 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.122 -2.446 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.878 -2.027 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.022 -2.216 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.466 -0.615 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.671 -1.021 9.499 1.00 0.00 H new ATOM 471 N ILE A 30 -1.329 2.139 6.999 1.00 0.00 N ATOM 472 CA ILE A 30 0.096 1.963 6.669 1.00 0.00 C ATOM 473 C ILE A 30 1.032 2.953 7.402 1.00 0.00 C ATOM 474 O ILE A 30 2.208 2.632 7.617 1.00 0.00 O ATOM 475 CB ILE A 30 0.271 2.044 5.136 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.573 1.326 4.734 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.244 3.488 4.616 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.772 1.222 3.215 1.00 0.00 C ATOM 0 H ILE A 30 -1.897 2.456 6.213 1.00 0.00 H new ATOM 0 HA ILE A 30 0.398 0.978 7.026 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.577 1.543 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.420 1.857 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.573 0.323 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.371 3.487 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.711 3.948 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.053 4.056 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.709 0.705 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.944 0.665 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.805 2.222 2.783 1.00 0.00 H new ATOM 490 N GLN A 31 0.555 4.138 7.809 1.00 0.00 N ATOM 491 CA GLN A 31 1.391 5.124 8.511 1.00 0.00 C ATOM 492 C GLN A 31 1.577 4.799 10.002 1.00 0.00 C ATOM 493 O GLN A 31 2.565 5.215 10.605 1.00 0.00 O ATOM 494 CB GLN A 31 0.834 6.550 8.345 1.00 0.00 C ATOM 495 CG GLN A 31 1.295 7.240 7.048 1.00 0.00 C ATOM 496 CD GLN A 31 0.175 7.430 6.034 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.788 8.142 6.265 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.260 6.832 4.870 1.00 0.00 N ATOM 0 H GLN A 31 -0.409 4.438 7.664 1.00 0.00 H new ATOM 0 HA GLN A 31 2.374 5.070 8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.255 6.510 8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.142 7.154 9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.721 8.213 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.090 6.649 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.059 6.233 4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.473 6.966 4.173 1.00 0.00 H new ATOM 507 N ASP A 32 0.653 4.031 10.574 1.00 0.00 N ATOM 508 CA ASP A 32 0.732 3.473 11.927 1.00 0.00 C ATOM 509 C ASP A 32 1.351 2.062 12.014 1.00 0.00 C ATOM 510 O ASP A 32 2.089 1.774 12.960 1.00 0.00 O ATOM 511 CB ASP A 32 -0.631 3.662 12.642 1.00 0.00 C ATOM 512 CG ASP A 32 -0.685 4.889 13.594 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.181 5.788 13.478 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.589 4.966 14.459 1.00 0.00 O ATOM 0 H ASP A 32 -0.206 3.768 10.091 1.00 0.00 H new ATOM 0 HA ASP A 32 1.470 4.044 12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.412 3.765 11.889 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.857 2.762 13.214 1.00 0.00 H new ATOM 519 N LYS A 33 1.147 1.197 11.003 1.00 0.00 N ATOM 520 CA LYS A 33 1.744 -0.157 10.962 1.00 0.00 C ATOM 521 C LYS A 33 3.261 -0.133 10.760 1.00 0.00 C ATOM 522 O LYS A 33 3.983 -0.825 11.477 1.00 0.00 O ATOM 523 CB LYS A 33 1.044 -1.030 9.895 1.00 0.00 C ATOM 524 CG LYS A 33 1.165 -2.549 10.153 1.00 0.00 C ATOM 525 CD LYS A 33 2.460 -3.222 9.654 1.00 0.00 C ATOM 526 CE LYS A 33 2.706 -4.563 10.366 1.00 0.00 C ATOM 527 NZ LYS A 33 1.734 -5.598 9.951 1.00 0.00 N ATOM 0 H LYS A 33 0.566 1.413 10.193 1.00 0.00 H new ATOM 0 HA LYS A 33 1.578 -0.607 11.941 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.012 -0.761 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.469 -0.802 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.080 -2.722 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.317 -3.046 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.395 -3.386 8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.307 -2.557 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.717 -4.908 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.642 -4.418 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.893 -6.465 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.767 -5.253 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.858 -5.805 8.939 1.00 0.00 H new ATOM 541 N GLU A 34 3.739 0.633 9.775 1.00 0.00 N ATOM 542 CA GLU A 34 5.162 0.689 9.394 1.00 0.00 C ATOM 543 C GLU A 34 5.717 2.127 9.392 1.00 0.00 C ATOM 544 O GLU A 34 6.830 2.359 9.875 1.00 0.00 O ATOM 545 CB GLU A 34 5.332 0.033 8.009 1.00 0.00 C ATOM 546 CG GLU A 34 6.799 -0.263 7.651 1.00 0.00 C ATOM 547 CD GLU A 34 7.404 -1.428 8.468 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.647 -2.349 8.846 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.626 -1.423 8.730 1.00 0.00 O ATOM 0 H GLU A 34 3.145 1.241 9.210 1.00 0.00 H new ATOM 0 HA GLU A 34 5.738 0.142 10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.764 -0.897 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.905 0.688 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.866 -0.500 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.394 0.635 7.816 1.00 0.00 H new ATOM 556 N GLY A 35 4.933 3.090 8.883 1.00 0.00 N ATOM 557 CA GLY A 35 5.334 4.500 8.760 1.00 0.00 C ATOM 558 C GLY A 35 5.626 4.952 7.325 1.00 0.00 C ATOM 559 O GLY A 35 6.644 5.597 7.093 1.00 0.00 O ATOM 0 H GLY A 35 3.990 2.908 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.543 5.127 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.223 4.667 9.369 1.00 0.00 H new ATOM 563 N ILE A 36 4.767 4.618 6.352 1.00 0.00 N ATOM 564 CA ILE A 36 4.953 4.959 4.923 1.00 0.00 C ATOM 565 C ILE A 36 4.012 6.125 4.525 1.00 0.00 C ATOM 566 O ILE A 36 2.841 5.867 4.243 1.00 0.00 O ATOM 567 CB ILE A 36 4.757 3.679 4.067 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.845 2.628 4.403 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.762 3.942 2.549 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.529 1.205 3.924 1.00 0.00 C ATOM 0 H ILE A 36 3.909 4.096 6.532 1.00 0.00 H new ATOM 0 HA ILE A 36 5.966 5.316 4.738 1.00 0.00 H new ATOM 0 HB ILE A 36 3.768 3.302 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.788 2.946 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.992 2.609 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.620 3.002 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.954 4.628 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.716 4.383 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.345 0.538 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.605 0.862 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.413 1.203 2.840 1.00 0.00 H new ATOM 582 N PRO A 37 4.458 7.402 4.546 1.00 0.00 N ATOM 583 CA PRO A 37 3.608 8.572 4.281 1.00 0.00 C ATOM 584 C PRO A 37 3.500 8.939 2.785 1.00 0.00 C ATOM 585 O PRO A 37 4.431 8.673 2.020 1.00 0.00 O ATOM 586 CB PRO A 37 4.275 9.713 5.059 1.00 0.00 C ATOM 587 CG PRO A 37 5.758 9.378 4.927 1.00 0.00 C ATOM 588 CD PRO A 37 5.759 7.854 5.024 1.00 0.00 C ATOM 0 HA PRO A 37 2.582 8.370 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.039 10.688 4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.955 9.736 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.170 9.725 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.350 9.836 5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.562 7.429 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.927 7.532 6.052 1.00 0.00 H new ATOM 596 N PRO A 38 2.432 9.654 2.366 1.00 0.00 N ATOM 597 CA PRO A 38 2.247 10.100 0.983 1.00 0.00 C ATOM 598 C PRO A 38 3.262 11.173 0.542 1.00 0.00 C ATOM 599 O PRO A 38 3.419 11.414 -0.651 1.00 0.00 O ATOM 600 CB PRO A 38 0.811 10.633 0.918 1.00 0.00 C ATOM 601 CG PRO A 38 0.561 11.135 2.339 1.00 0.00 C ATOM 602 CD PRO A 38 1.316 10.107 3.184 1.00 0.00 C ATOM 0 HA PRO A 38 2.417 9.273 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.711 11.433 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.104 9.853 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.945 12.144 2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.502 11.159 2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.670 10.551 4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.668 9.274 3.455 1.00 0.00 H new ATOM 610 N ASP A 39 3.972 11.829 1.466 1.00 0.00 N ATOM 611 CA ASP A 39 5.030 12.813 1.160 1.00 0.00 C ATOM 612 C ASP A 39 6.388 12.277 0.662 1.00 0.00 C ATOM 613 O ASP A 39 7.351 13.030 0.518 1.00 0.00 O ATOM 614 CB ASP A 39 5.090 13.929 2.223 1.00 0.00 C ATOM 615 CG ASP A 39 4.028 15.028 2.059 1.00 0.00 C ATOM 616 OD1 ASP A 39 3.616 15.303 0.902 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.673 15.636 3.090 1.00 0.00 O ATOM 0 H ASP A 39 3.829 11.693 2.467 1.00 0.00 H new ATOM 0 HA ASP A 39 4.702 13.282 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.979 13.479 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.078 14.389 2.192 1.00 0.00 H new ATOM 622 N GLN A 40 6.476 10.974 0.364 1.00 0.00 N ATOM 623 CA GLN A 40 7.731 10.320 -0.041 1.00 0.00 C ATOM 624 C GLN A 40 7.569 9.296 -1.189 1.00 0.00 C ATOM 625 O GLN A 40 8.541 8.987 -1.872 1.00 0.00 O ATOM 626 CB GLN A 40 8.344 9.740 1.248 1.00 0.00 C ATOM 627 CG GLN A 40 9.793 9.253 1.089 1.00 0.00 C ATOM 628 CD GLN A 40 9.930 7.800 0.652 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.064 6.963 0.858 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.041 7.443 0.048 1.00 0.00 N ATOM 0 H GLN A 40 5.677 10.340 0.397 1.00 0.00 H new ATOM 0 HA GLN A 40 8.412 11.043 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.311 10.501 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.728 8.908 1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.297 9.887 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.312 9.384 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.770 8.134 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.174 6.475 -0.244 1.00 0.00 H new ATOM 639 N ASN A 41 6.368 8.780 -1.457 1.00 0.00 N ATOM 640 CA ASN A 41 6.164 7.592 -2.302 1.00 0.00 C ATOM 641 C ASN A 41 4.704 7.516 -2.822 1.00 0.00 C ATOM 642 O ASN A 41 3.905 8.394 -2.489 1.00 0.00 O ATOM 643 CB ASN A 41 6.543 6.382 -1.417 1.00 0.00 C ATOM 644 CG ASN A 41 5.689 6.290 -0.170 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.519 5.953 -0.224 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.247 6.582 0.978 1.00 0.00 N ATOM 0 H ASN A 41 5.501 9.174 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 41 6.781 7.619 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.437 5.464 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.592 6.459 -1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.702 6.528 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.227 6.863 1.012 1.00 0.00 H new ATOM 653 N ARG A 42 4.339 6.500 -3.630 1.00 0.00 N ATOM 654 CA ARG A 42 2.936 6.193 -3.993 1.00 0.00 C ATOM 655 C ARG A 42 2.759 4.716 -4.380 1.00 0.00 C ATOM 656 O ARG A 42 3.591 4.155 -5.090 1.00 0.00 O ATOM 657 CB ARG A 42 2.395 7.172 -5.064 1.00 0.00 C ATOM 658 CG ARG A 42 3.061 7.158 -6.455 1.00 0.00 C ATOM 659 CD ARG A 42 2.620 8.404 -7.253 1.00 0.00 C ATOM 660 NE ARG A 42 2.849 8.279 -8.712 1.00 0.00 N ATOM 661 CZ ARG A 42 2.946 9.273 -9.587 1.00 0.00 C ATOM 662 NH1 ARG A 42 2.815 10.521 -9.254 1.00 0.00 N ATOM 663 NH2 ARG A 42 3.152 9.069 -10.855 1.00 0.00 N ATOM 0 H ARG A 42 5.014 5.863 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 42 2.323 6.347 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.333 6.966 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.476 8.183 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.146 7.146 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.783 6.252 -6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.560 8.585 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.160 9.275 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 42 2.942 7.333 -9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.629 10.773 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.898 11.249 -9.963 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.245 8.117 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.220 9.861 -11.494 1.00 0.00 H new ATOM 677 N LEU A 43 1.705 4.071 -3.865 1.00 0.00 N ATOM 678 CA LEU A 43 1.464 2.625 -4.023 1.00 0.00 C ATOM 679 C LEU A 43 0.993 2.270 -5.444 1.00 0.00 C ATOM 680 O LEU A 43 0.018 2.851 -5.926 1.00 0.00 O ATOM 681 CB LEU A 43 0.425 2.102 -3.000 1.00 0.00 C ATOM 682 CG LEU A 43 0.544 2.561 -1.533 1.00 0.00 C ATOM 683 CD1 LEU A 43 -0.498 1.828 -0.684 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.920 2.281 -0.932 1.00 0.00 C ATOM 0 H LEU A 43 0.984 4.542 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 43 2.422 2.139 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.565 2.386 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.467 1.013 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 43 0.383 3.639 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.415 2.152 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.497 2.056 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.325 0.753 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.943 2.626 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.119 1.210 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.682 2.807 -1.507 1.00 0.00 H new ATOM 696 N ILE A 44 1.635 1.283 -6.082 1.00 0.00 N ATOM 697 CA ILE A 44 1.233 0.778 -7.417 1.00 0.00 C ATOM 698 C ILE A 44 0.658 -0.647 -7.360 1.00 0.00 C ATOM 699 O ILE A 44 1.213 -1.522 -6.693 1.00 0.00 O ATOM 700 CB ILE A 44 2.424 0.856 -8.400 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.057 2.259 -8.471 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.052 0.385 -9.819 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.131 3.410 -8.898 1.00 0.00 C ATOM 0 H ILE A 44 2.449 0.807 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 44 0.431 1.421 -7.779 1.00 0.00 H new ATOM 0 HB ILE A 44 3.166 0.171 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.468 2.498 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.895 2.220 -9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.925 0.461 -10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.716 -0.651 -9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.252 1.012 -10.212 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.693 4.344 -8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.739 3.210 -9.895 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.304 3.493 -8.193 1.00 0.00 H new ATOM 715 N PHE A 45 -0.393 -0.945 -8.130 1.00 0.00 N ATOM 716 CA PHE A 45 -0.882 -2.315 -8.333 1.00 0.00 C ATOM 717 C PHE A 45 -1.196 -2.685 -9.787 1.00 0.00 C ATOM 718 O PHE A 45 -1.922 -1.959 -10.461 1.00 0.00 O ATOM 719 CB PHE A 45 -1.973 -2.675 -7.318 1.00 0.00 C ATOM 720 CG PHE A 45 -2.684 -3.988 -7.576 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.127 -5.184 -7.085 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.891 -4.024 -8.298 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.776 -6.410 -7.311 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.542 -5.249 -8.517 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.987 -6.442 -8.023 1.00 0.00 C ATOM 0 H PHE A 45 -0.932 -0.240 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.040 -2.974 -8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.526 -2.711 -6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.713 -1.875 -7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.199 -5.159 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.317 -3.110 -8.684 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.344 -7.327 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.471 -5.274 -9.066 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.491 -7.382 -8.190 1.00 0.00 H new ATOM 735 N ALA A 46 -0.596 -3.771 -10.295 1.00 0.00 N ATOM 736 CA ALA A 46 -0.659 -4.174 -11.709 1.00 0.00 C ATOM 737 C ALA A 46 -0.354 -3.019 -12.704 1.00 0.00 C ATOM 738 O ALA A 46 -0.972 -2.906 -13.758 1.00 0.00 O ATOM 739 CB ALA A 46 -1.989 -4.901 -11.966 1.00 0.00 C ATOM 0 H ALA A 46 -0.041 -4.408 -9.723 1.00 0.00 H new ATOM 0 HA ALA A 46 0.150 -4.877 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.043 -5.203 -13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.050 -5.784 -11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.819 -4.232 -11.738 1.00 0.00 H new ATOM 745 N GLY A 47 0.572 -2.123 -12.340 1.00 0.00 N ATOM 746 CA GLY A 47 0.932 -0.918 -13.103 1.00 0.00 C ATOM 747 C GLY A 47 -0.009 0.287 -12.921 1.00 0.00 C ATOM 748 O GLY A 47 0.407 1.418 -13.171 1.00 0.00 O ATOM 0 H GLY A 47 1.110 -2.219 -11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.940 -0.616 -12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.964 -1.175 -14.162 1.00 0.00 H new ATOM 752 N LYS A 48 -1.238 0.087 -12.440 1.00 0.00 N ATOM 753 CA LYS A 48 -2.194 1.169 -12.139 1.00 0.00 C ATOM 754 C LYS A 48 -1.861 1.821 -10.780 1.00 0.00 C ATOM 755 O LYS A 48 -1.402 1.158 -9.848 1.00 0.00 O ATOM 756 CB LYS A 48 -3.627 0.593 -12.169 1.00 0.00 C ATOM 757 CG LYS A 48 -4.707 1.674 -12.392 1.00 0.00 C ATOM 758 CD LYS A 48 -6.078 1.290 -11.814 1.00 0.00 C ATOM 759 CE LYS A 48 -6.888 0.271 -12.632 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.660 0.912 -13.727 1.00 0.00 N ATOM 0 H LYS A 48 -1.608 -0.843 -12.244 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.121 1.953 -12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.697 -0.152 -12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.825 0.078 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.377 2.607 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.810 1.860 -13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.929 0.887 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.673 2.197 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.212 -0.472 -13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.573 -0.260 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.189 0.185 -14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.325 1.603 -13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.007 1.397 -14.374 1.00 0.00 H new ATOM 774 N GLN A 49 -2.122 3.120 -10.650 1.00 0.00 N ATOM 775 CA GLN A 49 -2.221 3.785 -9.341 1.00 0.00 C ATOM 776 C GLN A 49 -3.510 3.368 -8.607 1.00 0.00 C ATOM 777 O GLN A 49 -4.450 2.861 -9.226 1.00 0.00 O ATOM 778 CB GLN A 49 -2.196 5.315 -9.526 1.00 0.00 C ATOM 779 CG GLN A 49 -0.881 5.859 -10.113 1.00 0.00 C ATOM 780 CD GLN A 49 -0.362 7.054 -9.318 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.111 6.901 -8.206 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.487 8.271 -9.810 1.00 0.00 N ATOM 0 H GLN A 49 -2.271 3.744 -11.443 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.367 3.479 -8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.019 5.604 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.373 5.789 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.129 5.070 -10.116 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.039 6.153 -11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.882 8.407 -10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.188 9.077 -9.260 1.00 0.00 H new ATOM 791 N LEU A 50 -3.579 3.623 -7.295 1.00 0.00 N ATOM 792 CA LEU A 50 -4.726 3.310 -6.441 1.00 0.00 C ATOM 793 C LEU A 50 -5.305 4.592 -5.845 1.00 0.00 C ATOM 794 O LEU A 50 -4.903 5.046 -4.767 1.00 0.00 O ATOM 795 CB LEU A 50 -4.325 2.281 -5.370 1.00 0.00 C ATOM 796 CG LEU A 50 -3.894 0.911 -5.924 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.541 0.005 -4.748 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.001 0.233 -6.731 1.00 0.00 C ATOM 0 H LEU A 50 -2.815 4.066 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.516 2.854 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.507 2.692 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.166 2.135 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.044 1.073 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.233 -0.972 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.725 0.450 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.413 -0.111 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.646 -0.729 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.873 0.079 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.275 0.865 -7.575 1.00 0.00 H new ATOM 810 N GLU A 51 -6.248 5.188 -6.577 1.00 0.00 N ATOM 811 CA GLU A 51 -6.983 6.369 -6.149 1.00 0.00 C ATOM 812 C GLU A 51 -8.096 6.013 -5.155 1.00 0.00 C ATOM 813 O GLU A 51 -8.887 5.084 -5.345 1.00 0.00 O ATOM 814 CB GLU A 51 -7.537 7.122 -7.368 1.00 0.00 C ATOM 815 CG GLU A 51 -8.083 8.512 -6.993 1.00 0.00 C ATOM 816 CD GLU A 51 -8.689 9.289 -8.176 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.520 8.877 -9.345 1.00 0.00 O ATOM 818 OE2 GLU A 51 -9.344 10.326 -7.928 1.00 0.00 O ATOM 0 H GLU A 51 -6.524 4.853 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.291 7.028 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.750 7.232 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.331 6.533 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.843 8.396 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.276 9.103 -6.559 1.00 0.00 H new ATOM 825 N ASP A 52 -8.128 6.788 -4.084 1.00 0.00 N ATOM 826 CA ASP A 52 -9.067 6.775 -2.982 1.00 0.00 C ATOM 827 C ASP A 52 -10.512 7.160 -3.361 1.00 0.00 C ATOM 828 O ASP A 52 -10.760 7.995 -4.228 1.00 0.00 O ATOM 829 CB ASP A 52 -8.496 7.512 -1.745 1.00 0.00 C ATOM 830 CG ASP A 52 -7.261 8.427 -1.950 1.00 0.00 C ATOM 831 OD1 ASP A 52 -6.299 8.034 -2.649 1.00 0.00 O ATOM 832 OD2 ASP A 52 -7.135 9.470 -1.284 1.00 0.00 O ATOM 0 H ASP A 52 -7.424 7.515 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.181 5.732 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.295 8.119 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.235 6.761 -0.999 1.00 0.00 H new ATOM 837 N GLY A 53 -11.465 6.488 -2.710 1.00 0.00 N ATOM 838 CA GLY A 53 -12.905 6.545 -3.003 1.00 0.00 C ATOM 839 C GLY A 53 -13.522 5.175 -3.334 1.00 0.00 C ATOM 840 O GLY A 53 -14.714 4.991 -3.102 1.00 0.00 O ATOM 0 H GLY A 53 -11.249 5.864 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.425 6.970 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.070 7.221 -3.842 1.00 0.00 H new ATOM 844 N ARG A 54 -12.728 4.201 -3.810 1.00 0.00 N ATOM 845 CA ARG A 54 -13.172 2.803 -4.048 1.00 0.00 C ATOM 846 C ARG A 54 -12.623 1.840 -2.983 1.00 0.00 C ATOM 847 O ARG A 54 -11.856 2.255 -2.112 1.00 0.00 O ATOM 848 CB ARG A 54 -12.837 2.358 -5.484 1.00 0.00 C ATOM 849 CG ARG A 54 -13.268 3.394 -6.536 1.00 0.00 C ATOM 850 CD ARG A 54 -13.276 2.794 -7.946 1.00 0.00 C ATOM 851 NE ARG A 54 -13.534 3.819 -8.980 1.00 0.00 N ATOM 852 CZ ARG A 54 -14.679 4.439 -9.209 1.00 0.00 C ATOM 853 NH1 ARG A 54 -15.779 4.163 -8.574 1.00 0.00 N ATOM 854 NH2 ARG A 54 -14.762 5.396 -10.083 1.00 0.00 N ATOM 0 H ARG A 54 -11.748 4.357 -4.045 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.257 2.771 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.764 2.185 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.330 1.408 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.263 3.768 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.590 4.247 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.317 2.314 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.039 2.018 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.748 4.074 -9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.786 3.436 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.635 4.673 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.935 5.681 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.655 5.862 -10.246 1.00 0.00 H new ATOM 868 N THR A 55 -13.026 0.571 -3.039 1.00 0.00 N ATOM 869 CA THR A 55 -12.524 -0.532 -2.190 1.00 0.00 C ATOM 870 C THR A 55 -11.346 -1.290 -2.810 1.00 0.00 C ATOM 871 O THR A 55 -11.103 -1.211 -4.016 1.00 0.00 O ATOM 872 CB THR A 55 -13.643 -1.545 -1.878 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.011 -2.192 -3.075 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.901 -0.911 -1.287 1.00 0.00 C ATOM 0 H THR A 55 -13.739 0.261 -3.700 1.00 0.00 H new ATOM 0 HA THR A 55 -12.175 -0.053 -1.275 1.00 0.00 H new ATOM 0 HB THR A 55 -13.241 -2.232 -1.133 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.065 -3.158 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.643 -1.686 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.651 -0.408 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.308 -0.186 -1.992 1.00 0.00 H new ATOM 882 N LEU A 56 -10.647 -2.092 -1.996 1.00 0.00 N ATOM 883 CA LEU A 56 -9.688 -3.110 -2.450 1.00 0.00 C ATOM 884 C LEU A 56 -10.289 -4.055 -3.502 1.00 0.00 C ATOM 885 O LEU A 56 -9.705 -4.247 -4.572 1.00 0.00 O ATOM 886 CB LEU A 56 -9.294 -3.970 -1.242 1.00 0.00 C ATOM 887 CG LEU A 56 -8.357 -3.296 -0.226 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.262 -4.166 1.021 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.944 -3.133 -0.794 1.00 0.00 C ATOM 0 H LEU A 56 -10.734 -2.051 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.840 -2.589 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.203 -4.276 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.814 -4.878 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.766 -2.313 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.599 -3.693 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.253 -4.283 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.866 -5.145 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.306 -2.653 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.537 -4.113 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.982 -2.516 -1.692 1.00 0.00 H new ATOM 901 N SER A 57 -11.456 -4.636 -3.195 1.00 0.00 N ATOM 902 CA SER A 57 -12.158 -5.577 -4.069 1.00 0.00 C ATOM 903 C SER A 57 -12.429 -5.025 -5.472 1.00 0.00 C ATOM 904 O SER A 57 -12.281 -5.761 -6.444 1.00 0.00 O ATOM 905 CB SER A 57 -13.472 -6.011 -3.406 1.00 0.00 C ATOM 906 OG SER A 57 -14.339 -4.915 -3.147 1.00 0.00 O ATOM 0 H SER A 57 -11.945 -4.461 -2.317 1.00 0.00 H new ATOM 0 HA SER A 57 -11.499 -6.435 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.981 -6.728 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.251 -6.524 -2.470 1.00 0.00 H new ATOM 0 HG SER A 57 -15.162 -5.241 -2.726 1.00 0.00 H new ATOM 912 N ASP A 58 -12.773 -3.739 -5.603 1.00 0.00 N ATOM 913 CA ASP A 58 -13.135 -3.169 -6.918 1.00 0.00 C ATOM 914 C ASP A 58 -11.881 -2.880 -7.772 1.00 0.00 C ATOM 915 O ASP A 58 -11.934 -2.939 -8.997 1.00 0.00 O ATOM 916 CB ASP A 58 -13.977 -1.898 -6.745 1.00 0.00 C ATOM 917 CG ASP A 58 -14.625 -1.447 -8.066 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.069 -2.316 -8.855 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.768 -0.222 -8.272 1.00 0.00 O ATOM 0 H ASP A 58 -12.810 -3.076 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.733 -3.911 -7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.755 -2.078 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.347 -1.097 -6.359 1.00 0.00 H new ATOM 924 N TYR A 59 -10.719 -2.660 -7.143 1.00 0.00 N ATOM 925 CA TYR A 59 -9.425 -2.703 -7.828 1.00 0.00 C ATOM 926 C TYR A 59 -8.921 -4.092 -8.270 1.00 0.00 C ATOM 927 O TYR A 59 -7.867 -4.191 -8.902 1.00 0.00 O ATOM 928 CB TYR A 59 -8.379 -1.841 -7.100 1.00 0.00 C ATOM 929 CG TYR A 59 -8.501 -0.342 -7.318 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.948 0.255 -8.469 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.107 0.465 -6.337 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.988 1.657 -8.626 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.146 1.864 -6.493 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.586 2.460 -7.637 1.00 0.00 C ATOM 935 OH TYR A 59 -8.605 3.809 -7.772 1.00 0.00 O ATOM 0 H TYR A 59 -10.652 -2.448 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.608 -2.242 -8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.448 -2.042 -6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.386 -2.158 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.494 -0.361 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.544 0.009 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.559 2.114 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.606 2.479 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.640 4.226 -6.886 1.00 0.00 H new ATOM 945 N ASN A 60 -9.675 -5.157 -7.963 1.00 0.00 N ATOM 946 CA ASN A 60 -9.289 -6.573 -8.079 1.00 0.00 C ATOM 947 C ASN A 60 -8.022 -6.910 -7.260 1.00 0.00 C ATOM 948 O ASN A 60 -7.134 -7.632 -7.715 1.00 0.00 O ATOM 949 CB ASN A 60 -9.253 -7.003 -9.561 1.00 0.00 C ATOM 950 CG ASN A 60 -9.213 -8.512 -9.767 1.00 0.00 C ATOM 951 OD1 ASN A 60 -9.373 -9.322 -8.867 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.046 -8.947 -10.995 1.00 0.00 N ATOM 0 H ASN A 60 -10.625 -5.049 -7.607 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.058 -7.189 -7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.131 -6.601 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.379 -6.558 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.051 -9.949 -11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.911 -8.283 -11.757 1.00 0.00 H new ATOM 959 N ILE A 61 -7.921 -6.351 -6.049 1.00 0.00 N ATOM 960 CA ILE A 61 -6.868 -6.676 -5.075 1.00 0.00 C ATOM 961 C ILE A 61 -7.359 -7.830 -4.191 1.00 0.00 C ATOM 962 O ILE A 61 -8.465 -7.781 -3.656 1.00 0.00 O ATOM 963 CB ILE A 61 -6.448 -5.433 -4.254 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.206 -4.217 -5.182 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.195 -5.770 -3.418 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.758 -2.930 -4.488 1.00 0.00 C ATOM 0 H ILE A 61 -8.578 -5.648 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.967 -6.996 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.254 -5.160 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.452 -4.491 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.127 -4.012 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.898 -4.896 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.420 -6.594 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.381 -6.059 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.618 -2.145 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.518 -2.620 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.818 -3.107 -3.966 1.00 0.00 H new ATOM 978 N GLN A 62 -6.546 -8.878 -4.049 1.00 0.00 N ATOM 979 CA GLN A 62 -6.945 -10.178 -3.497 1.00 0.00 C ATOM 980 C GLN A 62 -6.138 -10.558 -2.238 1.00 0.00 C ATOM 981 O GLN A 62 -5.176 -9.890 -1.853 1.00 0.00 O ATOM 982 CB GLN A 62 -6.819 -11.255 -4.592 1.00 0.00 C ATOM 983 CG GLN A 62 -7.605 -10.928 -5.877 1.00 0.00 C ATOM 984 CD GLN A 62 -7.520 -12.026 -6.933 1.00 0.00 C ATOM 985 OE1 GLN A 62 -6.918 -13.076 -6.744 1.00 0.00 O ATOM 986 NE2 GLN A 62 -8.120 -11.826 -8.084 1.00 0.00 N ATOM 0 H GLN A 62 -5.564 -8.847 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.984 -10.108 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.766 -11.383 -4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.170 -12.207 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.651 -10.760 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.226 -9.997 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.624 -10.955 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.082 -12.541 -8.810 1.00 0.00 H new ATOM 995 N LYS A 63 -6.536 -11.650 -1.572 1.00 0.00 N ATOM 996 CA LYS A 63 -5.837 -12.180 -0.390 1.00 0.00 C ATOM 997 C LYS A 63 -4.430 -12.676 -0.770 1.00 0.00 C ATOM 998 O LYS A 63 -4.267 -13.428 -1.730 1.00 0.00 O ATOM 999 CB LYS A 63 -6.732 -13.213 0.331 1.00 0.00 C ATOM 1000 CG LYS A 63 -7.069 -14.487 -0.484 1.00 0.00 C ATOM 1001 CD LYS A 63 -8.210 -15.301 0.164 1.00 0.00 C ATOM 1002 CE LYS A 63 -8.937 -16.252 -0.806 1.00 0.00 C ATOM 1003 NZ LYS A 63 -8.112 -17.406 -1.244 1.00 0.00 N ATOM 0 H LYS A 63 -7.356 -12.195 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.662 -11.390 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.238 -13.514 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.665 -12.725 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.355 -14.205 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.179 -15.111 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.802 -15.884 0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.937 -14.610 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.841 -16.625 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.253 -15.689 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.665 -18.001 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.261 -17.059 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.831 -17.967 -0.414 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.422 -12.199 -0.038 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.985 -12.294 -0.344 1.00 0.00 C ATOM 1019 C GLU A 64 -1.531 -11.606 -1.660 1.00 0.00 C ATOM 1020 O GLU A 64 -0.460 -11.916 -2.181 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.427 -13.727 -0.137 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.607 -14.258 1.308 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.489 -15.205 1.826 1.00 0.00 C ATOM 1024 OE1 GLU A 64 0.666 -15.137 1.348 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.761 -15.963 2.789 1.00 0.00 O ATOM 0 H GLU A 64 -3.592 -11.705 0.838 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.502 -11.674 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.925 -14.406 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.367 -13.735 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.675 -13.404 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.559 -14.786 1.365 1.00 0.00 H new ATOM 1032 N SER A 65 -2.279 -10.623 -2.196 1.00 0.00 N ATOM 1033 CA SER A 65 -1.832 -9.823 -3.352 1.00 0.00 C ATOM 1034 C SER A 65 -0.616 -8.936 -3.066 1.00 0.00 C ATOM 1035 O SER A 65 -0.589 -8.179 -2.094 1.00 0.00 O ATOM 1036 CB SER A 65 -2.931 -8.913 -3.904 1.00 0.00 C ATOM 1037 OG SER A 65 -3.795 -9.611 -4.771 1.00 0.00 O ATOM 0 H SER A 65 -3.201 -10.363 -1.844 1.00 0.00 H new ATOM 0 HA SER A 65 -1.558 -10.582 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.505 -8.492 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.478 -8.076 -4.436 1.00 0.00 H new ATOM 0 HG SER A 65 -4.024 -9.040 -5.534 1.00 0.00 H new ATOM 1043 N THR A 66 0.354 -8.952 -3.986 1.00 0.00 N ATOM 1044 CA THR A 66 1.483 -8.009 -4.062 1.00 0.00 C ATOM 1045 C THR A 66 1.244 -6.676 -4.778 1.00 0.00 C ATOM 1046 O THR A 66 1.079 -6.643 -5.998 1.00 0.00 O ATOM 1047 CB THR A 66 2.773 -8.666 -4.599 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.822 -10.050 -4.331 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.042 -8.037 -4.013 1.00 0.00 C ATOM 0 H THR A 66 0.378 -9.649 -4.730 1.00 0.00 H new ATOM 0 HA THR A 66 1.603 -7.740 -3.012 1.00 0.00 H new ATOM 0 HB THR A 66 2.741 -8.496 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.654 -10.423 -4.690 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.919 -8.537 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.075 -6.978 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.036 -8.149 -2.929 1.00 0.00 H new ATOM 1057 N LEU A 67 1.266 -5.571 -4.034 1.00 0.00 N ATOM 1058 CA LEU A 67 1.415 -4.216 -4.554 1.00 0.00 C ATOM 1059 C LEU A 67 2.908 -3.918 -4.759 1.00 0.00 C ATOM 1060 O LEU A 67 3.718 -4.231 -3.892 1.00 0.00 O ATOM 1061 CB LEU A 67 0.795 -3.216 -3.562 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.722 -3.384 -3.342 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.079 -4.310 -2.178 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.332 -2.019 -3.033 1.00 0.00 C ATOM 0 H LEU A 67 1.177 -5.597 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 67 0.900 -4.122 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.301 -3.316 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.987 -2.204 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.113 -3.828 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.163 -4.378 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.668 -5.302 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.661 -3.911 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.405 -2.127 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.873 -1.611 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.154 -1.343 -3.870 1.00 0.00 H new ATOM 1076 N HIS A 68 3.270 -3.217 -5.827 1.00 0.00 N ATOM 1077 CA HIS A 68 4.535 -2.506 -5.929 1.00 0.00 C ATOM 1078 C HIS A 68 4.407 -1.184 -5.242 1.00 0.00 C ATOM 1079 O HIS A 68 3.340 -0.655 -4.944 1.00 0.00 O ATOM 1080 CB HIS A 68 5.007 -2.334 -7.384 1.00 0.00 C ATOM 1081 CG HIS A 68 5.510 -3.589 -8.050 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.870 -4.800 -8.177 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.688 -3.701 -8.756 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.644 -5.624 -8.902 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.779 -4.997 -9.287 1.00 0.00 N ATOM 0 H HIS A 68 2.684 -3.126 -6.657 1.00 0.00 H new ATOM 0 HA HIS A 68 5.302 -3.105 -5.438 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.180 -1.936 -7.972 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.801 -1.588 -7.405 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.422 -2.919 -8.881 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.395 -6.646 -9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.540 -5.384 -9.845 1.00 0.00 H new ATOM 1093 N LEU A 69 5.574 -0.636 -5.007 1.00 0.00 N ATOM 1094 CA LEU A 69 5.698 0.735 -4.692 1.00 0.00 C ATOM 1095 C LEU A 69 6.392 1.563 -5.769 1.00 0.00 C ATOM 1096 O LEU A 69 7.204 1.032 -6.526 1.00 0.00 O ATOM 1097 CB LEU A 69 6.470 0.882 -3.405 1.00 0.00 C ATOM 1098 CG LEU A 69 6.614 2.226 -2.671 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.234 2.755 -2.303 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.410 2.040 -1.373 1.00 0.00 C ATOM 0 H LEU A 69 6.458 -1.144 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 69 4.681 1.117 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.025 0.186 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.481 0.528 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 69 7.132 2.924 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.336 3.707 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.646 2.898 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.731 2.039 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.504 2.999 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.890 1.335 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.402 1.654 -1.607 1.00 0.00 H new ATOM 1112 N VAL A 70 6.190 2.880 -5.713 1.00 0.00 N ATOM 1113 CA VAL A 70 7.257 3.824 -6.045 1.00 0.00 C ATOM 1114 C VAL A 70 7.527 4.910 -5.045 1.00 0.00 C ATOM 1115 O VAL A 70 6.685 5.247 -4.234 1.00 0.00 O ATOM 1116 CB VAL A 70 7.089 4.569 -7.395 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.419 4.912 -8.096 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.232 3.806 -8.409 1.00 0.00 C ATOM 0 H VAL A 70 5.307 3.314 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 70 8.088 3.119 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 70 6.588 5.490 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.214 5.431 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.017 5.554 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.968 3.994 -8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.156 4.384 -9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.693 2.842 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.235 3.648 -7.997 1.00 0.00 H new ATOM 1128 N LEU A 71 8.652 5.575 -5.238 1.00 0.00 N ATOM 1129 CA LEU A 71 8.773 7.001 -5.012 1.00 0.00 C ATOM 1130 C LEU A 71 7.727 7.972 -5.563 1.00 0.00 C ATOM 1131 O LEU A 71 7.056 7.733 -6.562 1.00 0.00 O ATOM 1132 CB LEU A 71 10.107 7.514 -5.565 1.00 0.00 C ATOM 1133 CG LEU A 71 11.306 7.684 -4.606 1.00 0.00 C ATOM 1134 CD1 LEU A 71 11.324 9.046 -3.919 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.421 6.580 -3.552 1.00 0.00 C ATOM 0 H LEU A 71 9.514 5.135 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 71 8.646 7.019 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.416 6.834 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.919 8.482 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 71 12.175 7.606 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.188 9.108 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.385 9.832 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.411 9.172 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.287 6.771 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.519 6.566 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.539 5.616 -4.046 1.00 0.00 H new