USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 65 ASN : amide:sc= -9.19! C(o=-12!,f=-14!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= -3.22! USER MOD Set 2.1: A 17 HIS : no HD1:sc= -17.1! C(o=-17!,f=-17!) USER MOD Set 2.2: A 30 TYR OH : rot -133:sc= -0.0994 USER MOD Single : A 1 LYS N :NH3+ 150:sc= 1.07 (180deg=-0.0644) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= -7.2! (180deg=-7.82!) USER MOD Single : A 6 ASN : amide:sc= -2.23! C(o=-2.2!,f=-6.7!) USER MOD Single : A 9 GLN : amide:sc= -2.81 X(o=-2.8,f=-2.8) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.031 USER MOD Single : A 18 GLN : amide:sc=-0.00797 X(o=-0.008,f=-0.17) USER MOD Single : A 19 THR OG1 : rot -140:sc= -0.871 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.182) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 33 ASN : amide:sc= -5.91! C(o=-5.9!,f=-10!) USER MOD Single : A 42 THR OG1 : rot 77:sc= 0.924 USER MOD Single : A 47 TYR OH : rot -128:sc= -8.01! USER MOD Single : A 55 GLN : amide:sc= -0.412 K(o=-0.41,f=-4.6!) USER MOD Single : A 58 GLN : amide:sc= -0.0797 K(o=-0.08,f=-2.7!) USER MOD Single : A 59 SER OG : rot -43:sc= -5.23! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 40:sc= -1.35! USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -164:sc=-0.00452 (180deg=-0.0583) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -44:sc= 0.23 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.706 5.262 9.017 1.00 0.00 N ATOM 2 CA LYS A 1 -7.488 4.540 9.482 1.00 0.00 C ATOM 3 C LYS A 1 -6.244 5.202 8.888 1.00 0.00 C ATOM 4 O LYS A 1 -6.328 6.176 8.164 1.00 0.00 O ATOM 5 CB LYS A 1 -7.555 3.081 9.024 1.00 0.00 C ATOM 6 CG LYS A 1 -7.051 2.170 10.145 1.00 0.00 C ATOM 7 CD LYS A 1 -8.227 1.749 11.028 1.00 0.00 C ATOM 8 CE LYS A 1 -8.184 0.237 11.250 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.662 -0.078 12.625 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.504 4.597 8.963 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.934 6.024 9.686 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.530 5.669 8.076 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.436 4.579 10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.580 2.818 8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.950 2.942 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.566 1.290 9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.302 2.690 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.181 2.269 11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.168 2.031 10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.808 -0.267 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.168 -0.132 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.633 -1.107 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.049 0.392 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.639 0.261 12.739 1.00 0.00 H new ATOM 25 N LYS A 2 -5.084 4.687 9.183 1.00 0.00 N ATOM 26 CA LYS A 2 -3.855 5.303 8.621 1.00 0.00 C ATOM 27 C LYS A 2 -2.801 4.225 8.351 1.00 0.00 C ATOM 28 O LYS A 2 -2.391 3.494 9.232 1.00 0.00 O ATOM 29 CB LYS A 2 -3.319 6.369 9.596 1.00 0.00 C ATOM 30 CG LYS A 2 -2.345 5.754 10.609 1.00 0.00 C ATOM 31 CD LYS A 2 -1.632 6.873 11.371 1.00 0.00 C ATOM 32 CE LYS A 2 -0.664 7.608 10.434 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.262 6.712 9.311 1.00 0.00 N ATOM 0 H LYS A 2 -4.936 3.875 9.782 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.092 5.787 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.816 7.158 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.151 6.834 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.884 5.111 11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.616 5.127 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.363 7.573 11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.087 6.458 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.138 8.507 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.218 7.929 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.517 7.150 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.051 5.797 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.074 6.564 8.678 1.00 0.00 H new ATOM 47 N ALA A 3 -2.360 4.131 7.130 1.00 0.00 N ATOM 48 CA ALA A 3 -1.326 3.126 6.775 1.00 0.00 C ATOM 49 C ALA A 3 0.010 3.853 6.599 1.00 0.00 C ATOM 50 O ALA A 3 0.052 4.998 6.183 1.00 0.00 O ATOM 51 CB ALA A 3 -1.717 2.434 5.469 1.00 0.00 C ATOM 0 H ALA A 3 -2.676 4.714 6.355 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.241 2.375 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.959 1.696 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.679 1.937 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.792 3.175 4.673 1.00 0.00 H new ATOM 57 N VAL A 4 1.101 3.212 6.918 1.00 0.00 N ATOM 58 CA VAL A 4 2.420 3.890 6.775 1.00 0.00 C ATOM 59 C VAL A 4 3.423 2.953 6.102 1.00 0.00 C ATOM 60 O VAL A 4 3.599 1.817 6.494 1.00 0.00 O ATOM 61 CB VAL A 4 2.937 4.297 8.158 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.419 4.671 8.068 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.142 5.506 8.658 1.00 0.00 C ATOM 0 H VAL A 4 1.137 2.255 7.269 1.00 0.00 H new ATOM 0 HA VAL A 4 2.300 4.779 6.156 1.00 0.00 H new ATOM 0 HB VAL A 4 2.816 3.462 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.782 4.960 9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.989 3.815 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.542 5.505 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.507 5.799 9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.267 6.336 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.086 5.244 8.725 1.00 0.00 H new ATOM 73 N ILE A 5 4.082 3.433 5.087 1.00 0.00 N ATOM 74 CA ILE A 5 5.080 2.600 4.366 1.00 0.00 C ATOM 75 C ILE A 5 6.477 2.966 4.864 1.00 0.00 C ATOM 76 O ILE A 5 6.863 4.116 4.868 1.00 0.00 O ATOM 77 CB ILE A 5 4.970 2.888 2.868 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.479 2.927 2.468 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.727 1.816 2.075 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.986 1.547 2.025 1.00 0.00 C ATOM 0 H ILE A 5 3.970 4.379 4.722 1.00 0.00 H new ATOM 0 HA ILE A 5 4.897 1.541 4.547 1.00 0.00 H new ATOM 0 HB ILE A 5 5.419 3.855 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.883 3.275 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.336 3.644 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.645 2.026 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.777 1.822 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.298 0.837 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.933 1.608 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.567 1.212 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.107 0.837 2.844 1.00 0.00 H new ATOM 92 N ASN A 6 7.236 2.000 5.291 1.00 0.00 N ATOM 93 CA ASN A 6 8.599 2.305 5.795 1.00 0.00 C ATOM 94 C ASN A 6 9.627 1.704 4.842 1.00 0.00 C ATOM 95 O ASN A 6 9.926 0.530 4.896 1.00 0.00 O ATOM 96 CB ASN A 6 8.788 1.708 7.195 1.00 0.00 C ATOM 97 CG ASN A 6 7.458 1.682 7.952 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.436 1.299 7.418 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.437 2.067 9.194 1.00 0.00 N ATOM 0 H ASN A 6 6.972 1.015 5.313 1.00 0.00 H new ATOM 0 HA ASN A 6 8.731 3.386 5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.187 0.697 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.518 2.295 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.563 2.047 9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.295 2.389 9.643 1.00 0.00 H new ATOM 106 N GLY A 7 10.174 2.499 3.967 1.00 0.00 N ATOM 107 CA GLY A 7 11.180 1.965 3.014 1.00 0.00 C ATOM 108 C GLY A 7 12.484 1.698 3.760 1.00 0.00 C ATOM 109 O GLY A 7 13.422 1.151 3.215 1.00 0.00 O ATOM 0 H GLY A 7 9.968 3.493 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.814 1.046 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.348 2.678 2.207 1.00 0.00 H new ATOM 113 N GLU A 8 12.554 2.080 5.006 1.00 0.00 N ATOM 114 CA GLU A 8 13.799 1.843 5.781 1.00 0.00 C ATOM 115 C GLU A 8 13.721 0.478 6.465 1.00 0.00 C ATOM 116 O GLU A 8 14.696 -0.021 6.994 1.00 0.00 O ATOM 117 CB GLU A 8 13.967 2.940 6.835 1.00 0.00 C ATOM 118 CG GLU A 8 15.308 2.760 7.549 1.00 0.00 C ATOM 119 CD GLU A 8 16.449 2.913 6.542 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.191 3.402 5.454 1.00 0.00 O ATOM 121 OE2 GLU A 8 17.561 2.537 6.874 1.00 0.00 O ATOM 0 H GLU A 8 11.804 2.545 5.517 1.00 0.00 H new ATOM 0 HA GLU A 8 14.655 1.861 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.923 3.922 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.150 2.895 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.410 3.498 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.353 1.777 8.018 1.00 0.00 H new ATOM 128 N GLN A 9 12.568 -0.130 6.456 1.00 0.00 N ATOM 129 CA GLN A 9 12.421 -1.465 7.103 1.00 0.00 C ATOM 130 C GLN A 9 11.969 -2.488 6.065 1.00 0.00 C ATOM 131 O GLN A 9 12.145 -3.678 6.231 1.00 0.00 O ATOM 132 CB GLN A 9 11.381 -1.381 8.221 1.00 0.00 C ATOM 133 CG GLN A 9 11.496 -2.613 9.121 1.00 0.00 C ATOM 134 CD GLN A 9 10.688 -3.764 8.517 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.531 -3.600 8.185 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.255 -4.929 8.358 1.00 0.00 N ATOM 0 H GLN A 9 11.719 0.240 6.028 1.00 0.00 H new ATOM 0 HA GLN A 9 13.380 -1.771 7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.534 -0.475 8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.379 -1.321 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.541 -2.904 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.128 -2.382 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.227 -5.066 8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.727 -5.703 7.955 1.00 0.00 H new ATOM 145 N ILE A 10 11.397 -2.031 4.994 1.00 0.00 N ATOM 146 CA ILE A 10 10.941 -2.972 3.937 1.00 0.00 C ATOM 147 C ILE A 10 12.164 -3.533 3.213 1.00 0.00 C ATOM 148 O ILE A 10 12.752 -2.887 2.369 1.00 0.00 O ATOM 149 CB ILE A 10 10.047 -2.238 2.937 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.739 -1.830 3.621 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.740 -3.163 1.757 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.946 -3.080 4.002 1.00 0.00 C ATOM 0 H ILE A 10 11.224 -1.044 4.802 1.00 0.00 H new ATOM 0 HA ILE A 10 10.372 -3.784 4.391 1.00 0.00 H new ATOM 0 HB ILE A 10 10.560 -1.346 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.952 -1.237 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.149 -1.202 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.103 -2.642 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.671 -3.452 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.227 -4.055 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.016 -2.787 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.720 -3.655 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.536 -3.691 4.685 1.00 0.00 H new ATOM 164 N ARG A 11 12.547 -4.734 3.537 1.00 0.00 N ATOM 165 CA ARG A 11 13.734 -5.343 2.864 1.00 0.00 C ATOM 166 C ARG A 11 13.399 -5.538 1.392 1.00 0.00 C ATOM 167 O ARG A 11 14.189 -5.256 0.513 1.00 0.00 O ATOM 168 CB ARG A 11 14.066 -6.711 3.476 1.00 0.00 C ATOM 169 CG ARG A 11 13.483 -6.817 4.883 1.00 0.00 C ATOM 170 CD ARG A 11 14.099 -8.016 5.606 1.00 0.00 C ATOM 171 NE ARG A 11 15.242 -7.557 6.444 1.00 0.00 N ATOM 172 CZ ARG A 11 15.044 -7.217 7.689 1.00 0.00 C ATOM 173 NH1 ARG A 11 13.836 -6.953 8.108 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.052 -7.140 8.513 1.00 0.00 N ATOM 0 H ARG A 11 12.094 -5.322 4.236 1.00 0.00 H new ATOM 0 HA ARG A 11 14.593 -4.684 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.664 -7.506 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.147 -6.849 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.683 -5.902 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.400 -6.928 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.349 -8.503 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.439 -8.756 4.881 1.00 0.00 H new ATOM 0 HE ARG A 11 16.179 -7.508 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.048 -7.012 7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.680 -6.687 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.996 -7.345 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.897 -6.874 9.485 1.00 0.00 H new ATOM 188 N SER A 12 12.223 -6.023 1.124 1.00 0.00 N ATOM 189 CA SER A 12 11.809 -6.246 -0.289 1.00 0.00 C ATOM 190 C SER A 12 10.301 -6.032 -0.414 1.00 0.00 C ATOM 191 O SER A 12 9.591 -5.959 0.569 1.00 0.00 O ATOM 192 CB SER A 12 12.157 -7.675 -0.703 1.00 0.00 C ATOM 193 OG SER A 12 12.152 -7.767 -2.122 1.00 0.00 O ATOM 0 H SER A 12 11.526 -6.276 1.824 1.00 0.00 H new ATOM 0 HA SER A 12 12.332 -5.544 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.137 -7.951 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.436 -8.374 -0.279 1.00 0.00 H new ATOM 0 HG SER A 12 12.377 -8.682 -2.391 1.00 0.00 H new ATOM 199 N ILE A 13 9.805 -5.933 -1.615 1.00 0.00 N ATOM 200 CA ILE A 13 8.342 -5.727 -1.798 1.00 0.00 C ATOM 201 C ILE A 13 7.578 -6.703 -0.900 1.00 0.00 C ATOM 202 O ILE A 13 6.450 -6.458 -0.518 1.00 0.00 O ATOM 203 CB ILE A 13 7.970 -5.981 -3.259 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.465 -5.780 -3.439 1.00 0.00 C ATOM 205 CG2 ILE A 13 8.344 -7.416 -3.636 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.102 -4.335 -3.096 1.00 0.00 C ATOM 0 H ILE A 13 10.348 -5.986 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 13 8.081 -4.703 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 13 8.510 -5.285 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.177 -6.005 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.915 -6.467 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.080 -7.599 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.416 -7.559 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.803 -8.113 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.029 -4.189 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.376 -4.127 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.641 -3.657 -3.758 1.00 0.00 H new ATOM 218 N SER A 14 8.185 -7.808 -0.562 1.00 0.00 N ATOM 219 CA SER A 14 7.497 -8.801 0.310 1.00 0.00 C ATOM 220 C SER A 14 7.080 -8.130 1.621 1.00 0.00 C ATOM 221 O SER A 14 5.942 -8.211 2.034 1.00 0.00 O ATOM 222 CB SER A 14 8.449 -9.958 0.612 1.00 0.00 C ATOM 223 OG SER A 14 9.154 -10.308 -0.573 1.00 0.00 O ATOM 0 H SER A 14 9.128 -8.066 -0.852 1.00 0.00 H new ATOM 0 HA SER A 14 6.612 -9.180 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.151 -9.672 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.890 -10.817 0.983 1.00 0.00 H new ATOM 0 HG SER A 14 9.767 -11.049 -0.382 1.00 0.00 H new ATOM 229 N ASP A 15 7.992 -7.465 2.275 1.00 0.00 N ATOM 230 CA ASP A 15 7.651 -6.790 3.553 1.00 0.00 C ATOM 231 C ASP A 15 6.656 -5.667 3.277 1.00 0.00 C ATOM 232 O ASP A 15 5.969 -5.192 4.162 1.00 0.00 O ATOM 233 CB ASP A 15 8.928 -6.216 4.162 1.00 0.00 C ATOM 234 CG ASP A 15 9.374 -7.090 5.336 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.724 -8.090 5.585 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.361 -6.742 5.967 1.00 0.00 O ATOM 0 H ASP A 15 8.962 -7.361 1.976 1.00 0.00 H new ATOM 0 HA ASP A 15 7.204 -7.501 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.715 -6.172 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.754 -5.195 4.501 1.00 0.00 H new ATOM 241 N LEU A 16 6.570 -5.249 2.051 1.00 0.00 N ATOM 242 CA LEU A 16 5.618 -4.164 1.693 1.00 0.00 C ATOM 243 C LEU A 16 4.197 -4.705 1.814 1.00 0.00 C ATOM 244 O LEU A 16 3.394 -4.215 2.580 1.00 0.00 O ATOM 245 CB LEU A 16 5.870 -3.719 0.250 1.00 0.00 C ATOM 246 CG LEU A 16 5.033 -2.474 -0.109 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.468 -1.782 1.141 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.927 -1.486 -0.846 1.00 0.00 C ATOM 0 H LEU A 16 7.121 -5.614 1.274 1.00 0.00 H new ATOM 0 HA LEU A 16 5.754 -3.313 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.929 -3.499 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.625 -4.533 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 16 4.195 -2.795 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.885 -0.911 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.828 -2.478 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.289 -1.466 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.350 -0.599 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.761 -1.201 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.311 -1.950 -1.754 1.00 0.00 H new ATOM 260 N HIS A 17 3.886 -5.721 1.063 1.00 0.00 N ATOM 261 CA HIS A 17 2.521 -6.306 1.126 1.00 0.00 C ATOM 262 C HIS A 17 2.195 -6.687 2.566 1.00 0.00 C ATOM 263 O HIS A 17 1.047 -6.769 2.957 1.00 0.00 O ATOM 264 CB HIS A 17 2.466 -7.542 0.231 1.00 0.00 C ATOM 265 CG HIS A 17 2.649 -7.118 -1.200 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.606 -6.613 -1.960 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.750 -7.106 -2.018 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.098 -6.320 -3.179 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.400 -6.601 -3.267 1.00 0.00 N ATOM 0 H HIS A 17 4.521 -6.173 0.405 1.00 0.00 H new ATOM 0 HA HIS A 17 1.789 -5.577 0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.245 -8.249 0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.511 -8.053 0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.738 -7.438 -1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.511 -5.908 -3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.008 -6.473 -4.076 1.00 0.00 H new ATOM 277 N GLN A 18 3.199 -6.912 3.358 1.00 0.00 N ATOM 278 CA GLN A 18 2.959 -7.276 4.782 1.00 0.00 C ATOM 279 C GLN A 18 2.681 -6.006 5.578 1.00 0.00 C ATOM 280 O GLN A 18 1.905 -5.993 6.513 1.00 0.00 O ATOM 281 CB GLN A 18 4.195 -7.979 5.347 1.00 0.00 C ATOM 282 CG GLN A 18 4.434 -9.283 4.584 1.00 0.00 C ATOM 283 CD GLN A 18 5.134 -10.289 5.499 1.00 0.00 C ATOM 284 OE1 GLN A 18 4.645 -10.598 6.567 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.266 -10.818 5.123 1.00 0.00 N ATOM 0 H GLN A 18 4.180 -6.860 3.083 1.00 0.00 H new ATOM 0 HA GLN A 18 2.104 -7.948 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.067 -7.330 5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.055 -8.186 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.486 -9.691 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.044 -9.093 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.677 -10.559 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.740 -11.491 5.726 1.00 0.00 H new ATOM 294 N THR A 19 3.314 -4.940 5.200 1.00 0.00 N ATOM 295 CA THR A 19 3.110 -3.646 5.909 1.00 0.00 C ATOM 296 C THR A 19 1.706 -3.125 5.617 1.00 0.00 C ATOM 297 O THR A 19 1.055 -2.539 6.459 1.00 0.00 O ATOM 298 CB THR A 19 4.163 -2.638 5.430 1.00 0.00 C ATOM 299 OG1 THR A 19 5.404 -2.920 6.062 1.00 0.00 O ATOM 300 CG2 THR A 19 3.726 -1.215 5.778 1.00 0.00 C ATOM 0 H THR A 19 3.973 -4.905 4.422 1.00 0.00 H new ATOM 0 HA THR A 19 3.216 -3.788 6.984 1.00 0.00 H new ATOM 0 HB THR A 19 4.271 -2.721 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.844 -2.080 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.481 -0.508 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.775 -0.997 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.610 -1.124 6.858 1.00 0.00 H new ATOM 308 N LEU A 20 1.228 -3.367 4.438 1.00 0.00 N ATOM 309 CA LEU A 20 -0.152 -2.925 4.087 1.00 0.00 C ATOM 310 C LEU A 20 -1.103 -3.953 4.669 1.00 0.00 C ATOM 311 O LEU A 20 -2.160 -3.641 5.174 1.00 0.00 O ATOM 312 CB LEU A 20 -0.331 -2.865 2.568 1.00 0.00 C ATOM 313 CG LEU A 20 0.966 -2.393 1.921 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.880 -2.556 0.404 1.00 0.00 C ATOM 315 CD2 LEU A 20 1.196 -0.920 2.266 1.00 0.00 C ATOM 0 H LEU A 20 1.730 -3.853 3.695 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.345 -1.929 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.604 -3.848 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.145 -2.186 2.314 1.00 0.00 H new ATOM 0 HG LEU A 20 1.796 -2.992 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.810 -2.217 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.718 -3.606 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.050 -1.962 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.123 -0.579 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.364 -0.324 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.266 -0.806 3.348 1.00 0.00 H new ATOM 327 N LYS A 21 -0.703 -5.186 4.619 1.00 0.00 N ATOM 328 CA LYS A 21 -1.548 -6.265 5.191 1.00 0.00 C ATOM 329 C LYS A 21 -1.607 -6.067 6.706 1.00 0.00 C ATOM 330 O LYS A 21 -2.516 -6.523 7.371 1.00 0.00 O ATOM 331 CB LYS A 21 -0.926 -7.625 4.873 1.00 0.00 C ATOM 332 CG LYS A 21 -1.623 -8.708 5.697 1.00 0.00 C ATOM 333 CD LYS A 21 -1.792 -9.969 4.847 1.00 0.00 C ATOM 334 CE LYS A 21 -1.370 -11.194 5.660 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.200 -11.846 5.004 1.00 0.00 N ATOM 0 H LYS A 21 0.176 -5.496 4.205 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.551 -6.229 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.024 -7.842 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.140 -7.611 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.038 -8.934 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.596 -8.352 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.830 -10.070 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.188 -9.894 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.112 -10.898 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.199 -11.898 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.088 -12.679 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.462 -12.142 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.591 -11.172 4.956 1.00 0.00 H new ATOM 349 N LYS A 22 -0.637 -5.381 7.254 1.00 0.00 N ATOM 350 CA LYS A 22 -0.624 -5.141 8.725 1.00 0.00 C ATOM 351 C LYS A 22 -1.463 -3.896 9.049 1.00 0.00 C ATOM 352 O LYS A 22 -2.247 -3.893 9.978 1.00 0.00 O ATOM 353 CB LYS A 22 0.825 -4.932 9.186 1.00 0.00 C ATOM 354 CG LYS A 22 0.850 -4.172 10.516 1.00 0.00 C ATOM 355 CD LYS A 22 2.284 -4.113 11.048 1.00 0.00 C ATOM 356 CE LYS A 22 2.404 -2.986 12.077 1.00 0.00 C ATOM 357 NZ LYS A 22 1.466 -3.243 13.207 1.00 0.00 N ATOM 0 H LYS A 22 0.148 -4.976 6.743 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.049 -6.000 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.321 -5.896 9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.379 -4.376 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.461 -3.163 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.203 -4.666 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.553 -5.066 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.981 -3.945 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.427 -2.924 12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.175 -2.028 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.729 -2.648 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.495 -3.016 12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.519 -4.245 13.481 1.00 0.00 H new ATOM 371 N GLU A 23 -1.305 -2.838 8.299 1.00 0.00 N ATOM 372 CA GLU A 23 -2.096 -1.604 8.581 1.00 0.00 C ATOM 373 C GLU A 23 -3.537 -1.816 8.138 1.00 0.00 C ATOM 374 O GLU A 23 -4.465 -1.742 8.918 1.00 0.00 O ATOM 375 CB GLU A 23 -1.510 -0.415 7.813 1.00 0.00 C ATOM 376 CG GLU A 23 0.017 -0.433 7.896 1.00 0.00 C ATOM 377 CD GLU A 23 0.598 -0.010 6.547 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.100 -0.146 5.556 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.728 0.445 6.526 1.00 0.00 O ATOM 0 H GLU A 23 -0.666 -2.774 7.507 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.059 -1.397 9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.825 -0.455 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.893 0.518 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.359 0.242 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.367 -1.431 8.160 1.00 0.00 H new ATOM 386 N LEU A 24 -3.715 -2.084 6.888 1.00 0.00 N ATOM 387 CA LEU A 24 -5.078 -2.315 6.348 1.00 0.00 C ATOM 388 C LEU A 24 -5.680 -3.528 7.053 1.00 0.00 C ATOM 389 O LEU A 24 -6.882 -3.658 7.176 1.00 0.00 O ATOM 390 CB LEU A 24 -4.994 -2.585 4.844 1.00 0.00 C ATOM 391 CG LEU A 24 -4.078 -1.552 4.178 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.558 -2.110 2.855 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.862 -0.264 3.924 1.00 0.00 C ATOM 0 H LEU A 24 -2.964 -2.155 6.201 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.701 -1.437 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.612 -3.590 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.989 -2.540 4.402 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.234 -1.336 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.907 -1.376 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.997 -3.026 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.399 -2.328 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.211 0.471 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.707 -0.476 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.228 0.132 4.871 1.00 0.00 H new ATOM 405 N ALA A 25 -4.847 -4.416 7.522 1.00 0.00 N ATOM 406 CA ALA A 25 -5.363 -5.620 8.225 1.00 0.00 C ATOM 407 C ALA A 25 -5.989 -6.572 7.207 1.00 0.00 C ATOM 408 O ALA A 25 -7.109 -7.016 7.365 1.00 0.00 O ATOM 409 CB ALA A 25 -6.417 -5.186 9.243 1.00 0.00 C ATOM 0 H ALA A 25 -3.831 -4.358 7.448 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.548 -6.130 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.802 -6.062 9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.967 -4.503 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.235 -4.682 8.728 1.00 0.00 H new ATOM 415 N LEU A 26 -5.271 -6.893 6.166 1.00 0.00 N ATOM 416 CA LEU A 26 -5.819 -7.821 5.137 1.00 0.00 C ATOM 417 C LEU A 26 -5.796 -9.248 5.692 1.00 0.00 C ATOM 418 O LEU A 26 -5.172 -9.503 6.704 1.00 0.00 O ATOM 419 CB LEU A 26 -4.968 -7.725 3.864 1.00 0.00 C ATOM 420 CG LEU A 26 -4.711 -6.250 3.541 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.700 -6.139 2.400 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.027 -5.587 3.122 1.00 0.00 C ATOM 0 H LEU A 26 -4.327 -6.552 5.983 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.846 -7.551 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.023 -8.249 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.481 -8.208 3.032 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.312 -5.751 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.521 -5.088 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.764 -6.611 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.094 -6.638 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.848 -4.537 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.423 -6.090 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.748 -5.662 3.936 1.00 0.00 H new ATOM 434 N PRO A 27 -6.493 -10.135 5.029 1.00 0.00 N ATOM 435 CA PRO A 27 -6.588 -11.541 5.452 1.00 0.00 C ATOM 436 C PRO A 27 -5.333 -12.318 5.049 1.00 0.00 C ATOM 437 O PRO A 27 -4.331 -11.750 4.663 1.00 0.00 O ATOM 438 CB PRO A 27 -7.816 -12.058 4.699 1.00 0.00 C ATOM 439 CG PRO A 27 -8.005 -11.122 3.482 1.00 0.00 C ATOM 440 CD PRO A 27 -7.246 -9.823 3.798 1.00 0.00 C ATOM 0 HA PRO A 27 -6.673 -11.655 6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.669 -13.089 4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.698 -12.046 5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.618 -11.585 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.062 -10.920 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.579 -9.543 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.931 -8.989 3.950 1.00 0.00 H new ATOM 448 N GLU A 28 -5.384 -13.617 5.146 1.00 0.00 N ATOM 449 CA GLU A 28 -4.202 -14.447 4.783 1.00 0.00 C ATOM 450 C GLU A 28 -4.125 -14.619 3.264 1.00 0.00 C ATOM 451 O GLU A 28 -3.082 -14.452 2.664 1.00 0.00 O ATOM 452 CB GLU A 28 -4.341 -15.823 5.434 1.00 0.00 C ATOM 453 CG GLU A 28 -3.206 -16.731 4.956 1.00 0.00 C ATOM 454 CD GLU A 28 -2.197 -16.929 6.089 1.00 0.00 C ATOM 455 OE1 GLU A 28 -2.237 -16.158 7.033 1.00 0.00 O ATOM 456 OE2 GLU A 28 -1.403 -17.850 5.994 1.00 0.00 O ATOM 0 H GLU A 28 -6.199 -14.142 5.463 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.296 -13.953 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.312 -15.728 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.305 -16.263 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.606 -17.694 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.714 -16.289 4.090 1.00 0.00 H new ATOM 463 N TYR A 29 -5.214 -14.970 2.643 1.00 0.00 N ATOM 464 CA TYR A 29 -5.198 -15.175 1.168 1.00 0.00 C ATOM 465 C TYR A 29 -4.869 -13.868 0.450 1.00 0.00 C ATOM 466 O TYR A 29 -4.608 -13.859 -0.737 1.00 0.00 O ATOM 467 CB TYR A 29 -6.566 -15.675 0.708 1.00 0.00 C ATOM 468 CG TYR A 29 -7.623 -14.665 1.082 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.673 -13.426 0.430 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.562 -14.973 2.073 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.665 -12.498 0.768 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.550 -14.043 2.414 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.603 -12.806 1.761 1.00 0.00 C ATOM 474 OH TYR A 29 -10.580 -11.890 2.094 1.00 0.00 O ATOM 0 H TYR A 29 -6.116 -15.124 3.093 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.433 -15.913 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.564 -15.832 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.788 -16.637 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.947 -13.187 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.524 -15.929 2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.707 -11.544 0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.272 -14.280 3.181 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.149 -12.261 2.800 1.00 0.00 H new ATOM 484 N TYR A 30 -4.884 -12.770 1.155 1.00 0.00 N ATOM 485 CA TYR A 30 -4.573 -11.457 0.515 1.00 0.00 C ATOM 486 C TYR A 30 -3.447 -11.641 -0.503 1.00 0.00 C ATOM 487 O TYR A 30 -2.463 -12.305 -0.245 1.00 0.00 O ATOM 488 CB TYR A 30 -4.133 -10.454 1.589 1.00 0.00 C ATOM 489 CG TYR A 30 -3.436 -9.280 0.935 1.00 0.00 C ATOM 490 CD1 TYR A 30 -4.103 -8.524 -0.036 1.00 0.00 C ATOM 491 CD2 TYR A 30 -2.125 -8.952 1.301 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.457 -7.440 -0.644 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.480 -7.868 0.693 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.146 -7.112 -0.279 1.00 0.00 C ATOM 495 OH TYR A 30 -1.510 -6.043 -0.877 1.00 0.00 O ATOM 0 H TYR A 30 -5.099 -12.724 2.151 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.462 -11.080 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.999 -10.107 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.463 -10.938 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.115 -8.776 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.612 -9.535 2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.970 -6.857 -1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.468 -7.615 0.974 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.610 -6.312 -1.156 1.00 0.00 H new ATOM 505 N GLY A 31 -3.585 -11.058 -1.660 1.00 0.00 N ATOM 506 CA GLY A 31 -2.523 -11.202 -2.690 1.00 0.00 C ATOM 507 C GLY A 31 -1.472 -10.114 -2.486 1.00 0.00 C ATOM 508 O GLY A 31 -1.307 -9.591 -1.402 1.00 0.00 O ATOM 0 H GLY A 31 -4.386 -10.489 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.062 -12.187 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.955 -11.124 -3.688 1.00 0.00 H new ATOM 512 N GLU A 32 -0.761 -9.770 -3.519 1.00 0.00 N ATOM 513 CA GLU A 32 0.278 -8.716 -3.387 1.00 0.00 C ATOM 514 C GLU A 32 0.374 -7.944 -4.700 1.00 0.00 C ATOM 515 O GLU A 32 1.446 -7.721 -5.228 1.00 0.00 O ATOM 516 CB GLU A 32 1.622 -9.371 -3.068 1.00 0.00 C ATOM 517 CG GLU A 32 1.876 -10.517 -4.048 1.00 0.00 C ATOM 518 CD GLU A 32 3.139 -11.274 -3.631 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.391 -11.356 -2.441 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.832 -11.757 -4.510 1.00 0.00 O ATOM 0 H GLU A 32 -0.854 -10.174 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 32 0.014 -8.029 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.423 -8.635 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.622 -9.747 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.022 -11.194 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.990 -10.126 -5.059 1.00 0.00 H new ATOM 527 N ASN A 33 -0.744 -7.537 -5.235 1.00 0.00 N ATOM 528 CA ASN A 33 -0.726 -6.781 -6.517 1.00 0.00 C ATOM 529 C ASN A 33 -1.894 -5.794 -6.540 1.00 0.00 C ATOM 530 O ASN A 33 -2.509 -5.523 -5.527 1.00 0.00 O ATOM 531 CB ASN A 33 -0.846 -7.755 -7.697 1.00 0.00 C ATOM 532 CG ASN A 33 -1.563 -9.033 -7.250 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.339 -9.014 -6.315 1.00 0.00 O ATOM 534 ND2 ASN A 33 -1.334 -10.151 -7.885 1.00 0.00 N ATOM 0 H ASN A 33 -1.670 -7.696 -4.838 1.00 0.00 H new ATOM 0 HA ASN A 33 0.213 -6.234 -6.602 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.396 -7.286 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.145 -7.999 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.806 -11.008 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.683 -10.168 -8.670 1.00 0.00 H new ATOM 541 N LEU A 34 -2.198 -5.244 -7.683 1.00 0.00 N ATOM 542 CA LEU A 34 -3.318 -4.265 -7.761 1.00 0.00 C ATOM 543 C LEU A 34 -4.659 -4.999 -7.778 1.00 0.00 C ATOM 544 O LEU A 34 -5.700 -4.386 -7.728 1.00 0.00 O ATOM 545 CB LEU A 34 -3.187 -3.432 -9.039 1.00 0.00 C ATOM 546 CG LEU A 34 -1.710 -3.255 -9.393 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.568 -2.166 -10.459 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.934 -2.845 -8.142 1.00 0.00 C ATOM 0 H LEU A 34 -1.720 -5.430 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.274 -3.613 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.711 -3.923 -9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.656 -2.458 -8.899 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.313 -4.194 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.515 -2.039 -10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.123 -2.456 -11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.964 -1.226 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.119 -2.718 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.332 -1.905 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.035 -3.619 -7.381 1.00 0.00 H new ATOM 560 N ASP A 35 -4.653 -6.301 -7.858 1.00 0.00 N ATOM 561 CA ASP A 35 -5.948 -7.040 -7.882 1.00 0.00 C ATOM 562 C ASP A 35 -6.480 -7.239 -6.463 1.00 0.00 C ATOM 563 O ASP A 35 -7.549 -6.781 -6.124 1.00 0.00 O ATOM 564 CB ASP A 35 -5.794 -8.416 -8.526 1.00 0.00 C ATOM 565 CG ASP A 35 -4.325 -8.839 -8.593 1.00 0.00 C ATOM 566 OD1 ASP A 35 -3.598 -8.260 -9.383 1.00 0.00 O ATOM 567 OD2 ASP A 35 -3.955 -9.737 -7.856 1.00 0.00 O ATOM 0 H ASP A 35 -3.816 -6.882 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.644 -6.440 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.361 -9.152 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.215 -8.398 -9.531 1.00 0.00 H new ATOM 572 N ALA A 36 -5.756 -7.955 -5.643 1.00 0.00 N ATOM 573 CA ALA A 36 -6.237 -8.217 -4.254 1.00 0.00 C ATOM 574 C ALA A 36 -6.185 -6.937 -3.433 1.00 0.00 C ATOM 575 O ALA A 36 -7.075 -6.641 -2.659 1.00 0.00 O ATOM 576 CB ALA A 36 -5.357 -9.285 -3.597 1.00 0.00 C ATOM 0 H ALA A 36 -4.853 -8.369 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.267 -8.571 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.710 -9.474 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.409 -10.206 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.325 -8.935 -3.562 1.00 0.00 H new ATOM 582 N LEU A 37 -5.153 -6.178 -3.597 1.00 0.00 N ATOM 583 CA LEU A 37 -5.034 -4.909 -2.831 1.00 0.00 C ATOM 584 C LEU A 37 -6.160 -3.967 -3.236 1.00 0.00 C ATOM 585 O LEU A 37 -6.893 -3.477 -2.414 1.00 0.00 O ATOM 586 CB LEU A 37 -3.706 -4.247 -3.139 1.00 0.00 C ATOM 587 CG LEU A 37 -3.600 -2.954 -2.337 1.00 0.00 C ATOM 588 CD1 LEU A 37 -2.438 -3.059 -1.352 1.00 0.00 C ATOM 589 CD2 LEU A 37 -3.357 -1.790 -3.294 1.00 0.00 C ATOM 0 H LEU A 37 -4.379 -6.377 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.096 -5.128 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.884 -4.916 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.628 -4.036 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.525 -2.787 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.362 -2.135 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.611 -3.894 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.510 -3.223 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.280 -0.862 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.430 -1.957 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.187 -1.718 -3.997 1.00 0.00 H new ATOM 601 N TRP A 38 -6.312 -3.719 -4.501 1.00 0.00 N ATOM 602 CA TRP A 38 -7.414 -2.824 -4.950 1.00 0.00 C ATOM 603 C TRP A 38 -8.713 -3.435 -4.458 1.00 0.00 C ATOM 604 O TRP A 38 -9.605 -2.762 -3.987 1.00 0.00 O ATOM 605 CB TRP A 38 -7.400 -2.767 -6.476 1.00 0.00 C ATOM 606 CG TRP A 38 -8.588 -2.047 -7.026 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.502 -2.641 -7.804 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.996 -0.644 -6.911 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.467 -1.720 -8.164 1.00 0.00 N ATOM 610 CE2 TRP A 38 -10.200 -0.472 -7.641 1.00 0.00 C ATOM 611 CE3 TRP A 38 -8.464 0.483 -6.253 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.845 0.763 -7.716 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -9.110 1.728 -6.331 1.00 0.00 C ATOM 614 CH2 TRP A 38 -10.298 1.868 -7.060 1.00 0.00 C ATOM 0 H TRP A 38 -5.724 -4.095 -5.245 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.302 -1.813 -4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.489 -2.270 -6.811 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.375 -3.781 -6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.487 -3.679 -8.103 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.277 -1.936 -8.745 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.551 0.389 -5.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.762 0.864 -8.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.688 2.584 -5.825 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -10.790 2.828 -7.115 1.00 0.00 H new ATOM 625 N ASP A 39 -8.805 -4.723 -4.546 1.00 0.00 N ATOM 626 CA ASP A 39 -10.029 -5.411 -4.064 1.00 0.00 C ATOM 627 C ASP A 39 -10.192 -5.148 -2.569 1.00 0.00 C ATOM 628 O ASP A 39 -11.288 -5.120 -2.044 1.00 0.00 O ATOM 629 CB ASP A 39 -9.901 -6.914 -4.305 1.00 0.00 C ATOM 630 CG ASP A 39 -10.797 -7.324 -5.475 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.908 -6.825 -5.547 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.356 -8.129 -6.278 1.00 0.00 O ATOM 0 H ASP A 39 -8.085 -5.334 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.898 -5.033 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.864 -7.171 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.185 -7.462 -3.407 1.00 0.00 H new ATOM 637 N ALA A 40 -9.106 -4.949 -1.881 1.00 0.00 N ATOM 638 CA ALA A 40 -9.188 -4.679 -0.415 1.00 0.00 C ATOM 639 C ALA A 40 -9.504 -3.202 -0.188 1.00 0.00 C ATOM 640 O ALA A 40 -10.582 -2.855 0.245 1.00 0.00 O ATOM 641 CB ALA A 40 -7.864 -5.030 0.265 1.00 0.00 C ATOM 0 H ALA A 40 -8.162 -4.961 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.978 -5.295 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.939 -4.828 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.644 -6.086 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.064 -4.426 -0.163 1.00 0.00 H new ATOM 647 N LEU A 41 -8.566 -2.333 -0.481 1.00 0.00 N ATOM 648 CA LEU A 41 -8.805 -0.869 -0.291 1.00 0.00 C ATOM 649 C LEU A 41 -10.236 -0.548 -0.701 1.00 0.00 C ATOM 650 O LEU A 41 -11.015 0.002 0.053 1.00 0.00 O ATOM 651 CB LEU A 41 -7.840 -0.060 -1.171 1.00 0.00 C ATOM 652 CG LEU A 41 -6.521 0.185 -0.427 1.00 0.00 C ATOM 653 CD1 LEU A 41 -5.359 0.160 -1.427 1.00 0.00 C ATOM 654 CD2 LEU A 41 -6.558 1.550 0.263 1.00 0.00 C ATOM 0 H LEU A 41 -7.644 -2.576 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.641 -0.608 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.647 -0.597 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.295 0.893 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.383 -0.596 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.421 0.334 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.324 -0.812 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.505 0.940 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.618 1.717 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.700 2.331 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.382 1.575 0.976 1.00 0.00 H new ATOM 666 N THR A 42 -10.579 -0.903 -1.895 1.00 0.00 N ATOM 667 CA THR A 42 -11.957 -0.640 -2.393 1.00 0.00 C ATOM 668 C THR A 42 -12.897 -1.767 -1.951 1.00 0.00 C ATOM 669 O THR A 42 -13.643 -2.305 -2.743 1.00 0.00 O ATOM 670 CB THR A 42 -11.939 -0.567 -3.922 1.00 0.00 C ATOM 671 OG1 THR A 42 -12.122 -1.871 -4.459 1.00 0.00 O ATOM 672 CG2 THR A 42 -10.598 -0.003 -4.394 1.00 0.00 C ATOM 0 H THR A 42 -9.962 -1.370 -2.560 1.00 0.00 H new ATOM 0 HA THR A 42 -12.311 0.305 -1.982 1.00 0.00 H new ATOM 0 HB THR A 42 -12.744 0.084 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.067 -2.122 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.588 0.048 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.459 0.997 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.791 -0.651 -4.053 1.00 0.00 H new ATOM 680 N GLY A 43 -12.879 -2.123 -0.694 1.00 0.00 N ATOM 681 CA GLY A 43 -13.788 -3.210 -0.228 1.00 0.00 C ATOM 682 C GLY A 43 -13.142 -4.006 0.910 1.00 0.00 C ATOM 683 O GLY A 43 -13.326 -5.202 1.018 1.00 0.00 O ATOM 0 H GLY A 43 -12.281 -1.713 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.731 -2.782 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.021 -3.877 -1.058 1.00 0.00 H new ATOM 687 N TRP A 44 -12.397 -3.364 1.771 1.00 0.00 N ATOM 688 CA TRP A 44 -11.766 -4.106 2.898 1.00 0.00 C ATOM 689 C TRP A 44 -11.155 -3.101 3.862 1.00 0.00 C ATOM 690 O TRP A 44 -11.220 -3.244 5.067 1.00 0.00 O ATOM 691 CB TRP A 44 -10.663 -5.027 2.375 1.00 0.00 C ATOM 692 CG TRP A 44 -9.974 -5.655 3.542 1.00 0.00 C ATOM 693 CD1 TRP A 44 -9.134 -5.011 4.384 1.00 0.00 C ATOM 694 CD2 TRP A 44 -10.063 -7.026 4.023 1.00 0.00 C ATOM 695 NE1 TRP A 44 -8.700 -5.900 5.350 1.00 0.00 N ATOM 696 CE2 TRP A 44 -9.245 -7.157 5.169 1.00 0.00 C ATOM 697 CE3 TRP A 44 -10.766 -8.158 3.577 1.00 0.00 C ATOM 698 CZ2 TRP A 44 -9.131 -8.369 5.852 1.00 0.00 C ATOM 699 CZ3 TRP A 44 -10.653 -9.380 4.259 1.00 0.00 C ATOM 700 CH2 TRP A 44 -9.837 -9.484 5.395 1.00 0.00 C ATOM 0 H TRP A 44 -12.200 -2.364 1.742 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.523 -4.708 3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.087 -5.795 1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -9.951 -4.461 1.775 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.849 -3.972 4.313 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.057 -5.658 6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -11.397 -8.088 2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.502 -8.444 6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -11.197 -10.244 3.907 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.755 -10.426 5.916 1.00 0.00 H new ATOM 711 N VAL A 45 -10.558 -2.086 3.323 1.00 0.00 N ATOM 712 CA VAL A 45 -9.924 -1.045 4.164 1.00 0.00 C ATOM 713 C VAL A 45 -11.004 -0.145 4.776 1.00 0.00 C ATOM 714 O VAL A 45 -12.148 -0.160 4.367 1.00 0.00 O ATOM 715 CB VAL A 45 -9.000 -0.221 3.264 1.00 0.00 C ATOM 716 CG1 VAL A 45 -8.807 1.177 3.838 1.00 0.00 C ATOM 717 CG2 VAL A 45 -7.644 -0.919 3.151 1.00 0.00 C ATOM 0 H VAL A 45 -10.481 -1.930 2.318 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.356 -1.498 4.976 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.454 -0.135 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.147 1.750 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.773 1.678 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.363 1.105 4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.985 -0.333 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.199 -1.011 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.780 -1.911 2.721 1.00 0.00 H new ATOM 727 N GLU A 46 -10.635 0.652 5.741 1.00 0.00 N ATOM 728 CA GLU A 46 -11.619 1.573 6.372 1.00 0.00 C ATOM 729 C GLU A 46 -11.196 3.011 6.074 1.00 0.00 C ATOM 730 O GLU A 46 -10.101 3.426 6.396 1.00 0.00 O ATOM 731 CB GLU A 46 -11.647 1.345 7.884 1.00 0.00 C ATOM 732 CG GLU A 46 -12.576 0.173 8.208 1.00 0.00 C ATOM 733 CD GLU A 46 -13.060 0.291 9.654 1.00 0.00 C ATOM 734 OE1 GLU A 46 -12.299 -0.054 10.543 1.00 0.00 O ATOM 735 OE2 GLU A 46 -14.184 0.724 9.848 1.00 0.00 O ATOM 0 H GLU A 46 -9.690 0.704 6.120 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.615 1.386 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.641 1.137 8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.991 2.246 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.427 0.171 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.051 -0.771 8.065 1.00 0.00 H new ATOM 742 N TYR A 47 -12.048 3.768 5.446 1.00 0.00 N ATOM 743 CA TYR A 47 -11.690 5.172 5.107 1.00 0.00 C ATOM 744 C TYR A 47 -12.359 6.131 6.100 1.00 0.00 C ATOM 745 O TYR A 47 -13.305 5.761 6.768 1.00 0.00 O ATOM 746 CB TYR A 47 -12.153 5.450 3.680 1.00 0.00 C ATOM 747 CG TYR A 47 -11.467 4.470 2.755 1.00 0.00 C ATOM 748 CD1 TYR A 47 -10.082 4.260 2.857 1.00 0.00 C ATOM 749 CD2 TYR A 47 -12.211 3.770 1.798 1.00 0.00 C ATOM 750 CE1 TYR A 47 -9.450 3.349 2.003 1.00 0.00 C ATOM 751 CE2 TYR A 47 -11.573 2.862 0.943 1.00 0.00 C ATOM 752 CZ TYR A 47 -10.192 2.654 1.047 1.00 0.00 C ATOM 753 OH TYR A 47 -9.560 1.766 0.202 1.00 0.00 O ATOM 0 H TYR A 47 -12.980 3.475 5.152 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.612 5.322 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.236 5.347 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.910 6.474 3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.506 4.801 3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.276 3.930 1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.386 3.183 2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.146 2.322 0.204 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.794 1.975 -0.726 1.00 0.00 H new ATOM 763 N PRO A 48 -11.827 7.327 6.196 1.00 0.00 N ATOM 764 CA PRO A 48 -10.676 7.780 5.385 1.00 0.00 C ATOM 765 C PRO A 48 -9.384 7.091 5.825 1.00 0.00 C ATOM 766 O PRO A 48 -9.190 6.783 6.984 1.00 0.00 O ATOM 767 CB PRO A 48 -10.622 9.288 5.644 1.00 0.00 C ATOM 768 CG PRO A 48 -11.366 9.528 6.976 1.00 0.00 C ATOM 769 CD PRO A 48 -12.320 8.334 7.159 1.00 0.00 C ATOM 0 HA PRO A 48 -10.783 7.540 4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.591 9.635 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.094 9.839 4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.664 9.596 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.919 10.467 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.293 7.955 8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.353 8.613 6.950 1.00 0.00 H new ATOM 777 N LEU A 49 -8.508 6.830 4.892 1.00 0.00 N ATOM 778 CA LEU A 49 -7.233 6.139 5.234 1.00 0.00 C ATOM 779 C LEU A 49 -6.048 6.994 4.779 1.00 0.00 C ATOM 780 O LEU A 49 -5.999 7.459 3.660 1.00 0.00 O ATOM 781 CB LEU A 49 -7.222 4.779 4.524 1.00 0.00 C ATOM 782 CG LEU A 49 -5.797 4.227 4.398 1.00 0.00 C ATOM 783 CD1 LEU A 49 -5.519 3.253 5.543 1.00 0.00 C ATOM 784 CD2 LEU A 49 -5.668 3.490 3.067 1.00 0.00 C ATOM 0 H LEU A 49 -8.621 7.066 3.906 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.152 5.991 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.840 4.072 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.664 4.880 3.533 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.081 5.048 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.506 2.863 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.622 3.772 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.231 2.429 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.658 3.093 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.385 2.670 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.869 4.180 2.248 1.00 0.00 H new ATOM 796 N VAL A 50 -5.085 7.198 5.640 1.00 0.00 N ATOM 797 CA VAL A 50 -3.897 8.023 5.258 1.00 0.00 C ATOM 798 C VAL A 50 -2.755 7.107 4.797 1.00 0.00 C ATOM 799 O VAL A 50 -2.119 6.453 5.594 1.00 0.00 O ATOM 800 CB VAL A 50 -3.462 8.864 6.477 1.00 0.00 C ATOM 801 CG1 VAL A 50 -1.933 8.887 6.625 1.00 0.00 C ATOM 802 CG2 VAL A 50 -3.958 10.296 6.296 1.00 0.00 C ATOM 0 H VAL A 50 -5.069 6.830 6.591 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.153 8.690 4.435 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.890 8.414 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.660 9.488 7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.565 7.870 6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.487 9.320 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.655 10.897 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.529 10.718 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.045 10.297 6.218 1.00 0.00 H new ATOM 812 N LEU A 51 -2.471 7.071 3.522 1.00 0.00 N ATOM 813 CA LEU A 51 -1.353 6.202 3.045 1.00 0.00 C ATOM 814 C LEU A 51 -0.037 6.961 3.193 1.00 0.00 C ATOM 815 O LEU A 51 0.564 7.364 2.220 1.00 0.00 O ATOM 816 CB LEU A 51 -1.560 5.841 1.571 1.00 0.00 C ATOM 817 CG LEU A 51 -0.452 4.886 1.103 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.755 3.459 1.548 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.381 4.903 -0.414 1.00 0.00 C ATOM 0 H LEU A 51 -2.957 7.598 2.797 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.330 5.287 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.535 5.373 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.553 6.745 0.962 1.00 0.00 H new ATOM 0 HG LEU A 51 0.492 5.213 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.040 2.795 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.818 3.423 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.704 3.138 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.405 4.226 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.337 4.582 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.159 5.914 -0.757 1.00 0.00 H new ATOM 831 N GLU A 52 0.412 7.164 4.401 1.00 0.00 N ATOM 832 CA GLU A 52 1.692 7.902 4.600 1.00 0.00 C ATOM 833 C GLU A 52 2.848 7.076 4.033 1.00 0.00 C ATOM 834 O GLU A 52 3.503 6.346 4.747 1.00 0.00 O ATOM 835 CB GLU A 52 1.921 8.135 6.096 1.00 0.00 C ATOM 836 CG GLU A 52 3.341 8.657 6.321 1.00 0.00 C ATOM 837 CD GLU A 52 3.285 9.979 7.088 1.00 0.00 C ATOM 838 OE1 GLU A 52 2.998 9.943 8.274 1.00 0.00 O ATOM 839 OE2 GLU A 52 3.529 11.006 6.477 1.00 0.00 O ATOM 0 H GLU A 52 -0.049 6.852 5.256 1.00 0.00 H new ATOM 0 HA GLU A 52 1.641 8.862 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.194 8.852 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.773 7.206 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.924 7.925 6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.843 8.801 5.364 1.00 0.00 H new ATOM 846 N TRP A 53 3.110 7.183 2.756 1.00 0.00 N ATOM 847 CA TRP A 53 4.226 6.395 2.166 1.00 0.00 C ATOM 848 C TRP A 53 5.555 7.080 2.488 1.00 0.00 C ATOM 849 O TRP A 53 5.869 8.129 1.958 1.00 0.00 O ATOM 850 CB TRP A 53 4.054 6.292 0.649 1.00 0.00 C ATOM 851 CG TRP A 53 4.701 5.029 0.180 1.00 0.00 C ATOM 852 CD1 TRP A 53 6.022 4.749 0.276 1.00 0.00 C ATOM 853 CD2 TRP A 53 4.082 3.865 -0.439 1.00 0.00 C ATOM 854 NE1 TRP A 53 6.250 3.489 -0.242 1.00 0.00 N ATOM 855 CE2 TRP A 53 5.086 2.906 -0.695 1.00 0.00 C ATOM 856 CE3 TRP A 53 2.759 3.552 -0.796 1.00 0.00 C ATOM 857 CZ2 TRP A 53 4.789 1.680 -1.283 1.00 0.00 C ATOM 858 CZ3 TRP A 53 2.455 2.318 -1.389 1.00 0.00 C ATOM 859 CH2 TRP A 53 3.470 1.382 -1.633 1.00 0.00 C ATOM 0 H TRP A 53 2.602 7.779 2.102 1.00 0.00 H new ATOM 0 HA TRP A 53 4.219 5.391 2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.996 6.295 0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.506 7.154 0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.775 5.404 0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.167 3.045 -0.284 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.971 4.267 -0.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.575 0.962 -1.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.435 2.088 -1.659 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.233 0.433 -2.090 1.00 0.00 H new ATOM 870 N ARG A 54 6.336 6.503 3.358 1.00 0.00 N ATOM 871 CA ARG A 54 7.642 7.127 3.720 1.00 0.00 C ATOM 872 C ARG A 54 8.748 6.571 2.821 1.00 0.00 C ATOM 873 O ARG A 54 8.750 5.409 2.466 1.00 0.00 O ATOM 874 CB ARG A 54 7.974 6.814 5.181 1.00 0.00 C ATOM 875 CG ARG A 54 6.683 6.699 5.994 1.00 0.00 C ATOM 876 CD ARG A 54 6.825 7.491 7.294 1.00 0.00 C ATOM 877 NE ARG A 54 7.769 6.785 8.205 1.00 0.00 N ATOM 878 CZ ARG A 54 7.880 7.161 9.450 1.00 0.00 C ATOM 879 NH1 ARG A 54 8.389 8.328 9.735 1.00 0.00 N ATOM 880 NH2 ARG A 54 7.481 6.369 10.408 1.00 0.00 N ATOM 0 H ARG A 54 6.127 5.626 3.835 1.00 0.00 H new ATOM 0 HA ARG A 54 7.571 8.206 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.538 5.883 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.607 7.599 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.841 7.079 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.472 5.653 6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.190 8.496 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.852 7.600 7.774 1.00 0.00 H new ATOM 0 HE ARG A 54 8.329 6.007 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.700 8.946 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.476 8.623 10.708 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.083 5.457 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.567 6.662 11.381 1.00 0.00 H new ATOM 894 N GLN A 55 9.692 7.393 2.454 1.00 0.00 N ATOM 895 CA GLN A 55 10.804 6.917 1.584 1.00 0.00 C ATOM 896 C GLN A 55 10.240 6.039 0.464 1.00 0.00 C ATOM 897 O GLN A 55 10.438 4.840 0.445 1.00 0.00 O ATOM 898 CB GLN A 55 11.793 6.105 2.422 1.00 0.00 C ATOM 899 CG GLN A 55 12.295 6.957 3.590 1.00 0.00 C ATOM 900 CD GLN A 55 12.041 6.220 4.905 1.00 0.00 C ATOM 901 OE1 GLN A 55 11.517 5.124 4.910 1.00 0.00 O ATOM 902 NE2 GLN A 55 12.393 6.778 6.032 1.00 0.00 N ATOM 0 H GLN A 55 9.741 8.377 2.720 1.00 0.00 H new ATOM 0 HA GLN A 55 11.315 7.775 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.312 5.202 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.632 5.785 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.360 7.160 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.785 7.921 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.833 7.698 6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.228 6.294 6.914 1.00 0.00 H new ATOM 911 N PHE A 56 9.545 6.627 -0.470 1.00 0.00 N ATOM 912 CA PHE A 56 8.975 5.824 -1.590 1.00 0.00 C ATOM 913 C PHE A 56 10.115 5.294 -2.462 1.00 0.00 C ATOM 914 O PHE A 56 9.942 4.376 -3.239 1.00 0.00 O ATOM 915 CB PHE A 56 8.054 6.707 -2.434 1.00 0.00 C ATOM 916 CG PHE A 56 7.402 5.875 -3.513 1.00 0.00 C ATOM 917 CD1 PHE A 56 6.331 5.030 -3.196 1.00 0.00 C ATOM 918 CD2 PHE A 56 7.865 5.951 -4.832 1.00 0.00 C ATOM 919 CE1 PHE A 56 5.726 4.263 -4.196 1.00 0.00 C ATOM 920 CE2 PHE A 56 7.259 5.183 -5.831 1.00 0.00 C ATOM 921 CZ PHE A 56 6.190 4.339 -5.513 1.00 0.00 C ATOM 0 H PHE A 56 9.347 7.627 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 56 8.404 4.988 -1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.292 7.163 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.624 7.520 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.973 4.971 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.690 6.603 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.900 3.612 -3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.616 5.242 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.723 3.746 -6.285 1.00 0.00 H new ATOM 931 N GLU A 57 11.281 5.867 -2.338 1.00 0.00 N ATOM 932 CA GLU A 57 12.435 5.400 -3.158 1.00 0.00 C ATOM 933 C GLU A 57 12.775 3.957 -2.781 1.00 0.00 C ATOM 934 O GLU A 57 12.335 3.019 -3.414 1.00 0.00 O ATOM 935 CB GLU A 57 13.645 6.297 -2.893 1.00 0.00 C ATOM 936 CG GLU A 57 13.975 7.095 -4.156 1.00 0.00 C ATOM 937 CD GLU A 57 15.454 7.488 -4.143 1.00 0.00 C ATOM 938 OE1 GLU A 57 16.090 7.287 -3.122 1.00 0.00 O ATOM 939 OE2 GLU A 57 15.924 7.983 -5.153 1.00 0.00 O ATOM 0 H GLU A 57 11.485 6.639 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 57 12.174 5.447 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.434 6.975 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.502 5.692 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.754 6.500 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.352 7.988 -4.208 1.00 0.00 H new ATOM 946 N GLN A 58 13.555 3.770 -1.751 1.00 0.00 N ATOM 947 CA GLN A 58 13.920 2.386 -1.337 1.00 0.00 C ATOM 948 C GLN A 58 12.657 1.529 -1.262 1.00 0.00 C ATOM 949 O GLN A 58 11.560 2.041 -1.162 1.00 0.00 O ATOM 950 CB GLN A 58 14.585 2.414 0.040 1.00 0.00 C ATOM 951 CG GLN A 58 14.003 3.561 0.870 1.00 0.00 C ATOM 952 CD GLN A 58 15.025 4.696 0.960 1.00 0.00 C ATOM 953 OE1 GLN A 58 15.603 5.089 -0.034 1.00 0.00 O ATOM 954 NE2 GLN A 58 15.271 5.245 2.118 1.00 0.00 N ATOM 0 H GLN A 58 13.954 4.515 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 58 14.612 1.966 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.425 1.465 0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.662 2.540 -0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.081 3.923 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.747 3.208 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.786 4.915 2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.949 6.004 2.189 1.00 0.00 H new ATOM 963 N SER A 59 12.809 0.230 -1.312 1.00 0.00 N ATOM 964 CA SER A 59 11.626 -0.680 -1.246 1.00 0.00 C ATOM 965 C SER A 59 10.999 -0.815 -2.639 1.00 0.00 C ATOM 966 O SER A 59 10.626 -1.892 -3.061 1.00 0.00 O ATOM 967 CB SER A 59 10.590 -0.116 -0.273 1.00 0.00 C ATOM 968 OG SER A 59 9.722 -1.161 0.145 1.00 0.00 O ATOM 0 H SER A 59 13.709 -0.242 -1.396 1.00 0.00 H new ATOM 0 HA SER A 59 11.951 -1.661 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.087 0.326 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.018 0.678 -0.753 1.00 0.00 H new ATOM 0 HG SER A 59 9.477 -1.712 -0.628 1.00 0.00 H new ATOM 974 N LYS A 60 10.870 0.271 -3.348 1.00 0.00 N ATOM 975 CA LYS A 60 10.259 0.221 -4.707 1.00 0.00 C ATOM 976 C LYS A 60 11.286 -0.206 -5.765 1.00 0.00 C ATOM 977 O LYS A 60 10.930 -0.719 -6.806 1.00 0.00 O ATOM 978 CB LYS A 60 9.731 1.607 -5.059 1.00 0.00 C ATOM 979 CG LYS A 60 9.066 1.569 -6.438 1.00 0.00 C ATOM 980 CD LYS A 60 9.714 2.614 -7.349 1.00 0.00 C ATOM 981 CE LYS A 60 10.971 2.023 -7.990 1.00 0.00 C ATOM 982 NZ LYS A 60 11.686 3.085 -8.753 1.00 0.00 N ATOM 0 H LYS A 60 11.164 1.199 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 60 9.452 -0.511 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.013 1.936 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.547 2.329 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.169 0.576 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.998 1.766 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.011 2.925 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.970 3.504 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.624 1.610 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.702 1.202 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.541 2.684 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.061 3.459 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.956 3.855 -8.107 1.00 0.00 H new ATOM 996 N GLN A 61 12.550 0.022 -5.527 1.00 0.00 N ATOM 997 CA GLN A 61 13.573 -0.354 -6.550 1.00 0.00 C ATOM 998 C GLN A 61 13.873 -1.844 -6.463 1.00 0.00 C ATOM 999 O GLN A 61 13.558 -2.612 -7.350 1.00 0.00 O ATOM 1000 CB GLN A 61 14.856 0.439 -6.302 1.00 0.00 C ATOM 1001 CG GLN A 61 15.646 0.551 -7.608 1.00 0.00 C ATOM 1002 CD GLN A 61 17.057 0.000 -7.400 1.00 0.00 C ATOM 1003 OE1 GLN A 61 17.379 -1.073 -7.872 1.00 0.00 O ATOM 1004 NE2 GLN A 61 17.921 0.693 -6.709 1.00 0.00 N ATOM 0 H GLN A 61 12.918 0.449 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 61 13.186 -0.125 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.615 1.432 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.460 -0.054 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.141 -0.003 -8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.694 1.592 -7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.652 1.593 -6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.865 0.334 -6.566 1.00 0.00 H new ATOM 1013 N LEU A 62 14.491 -2.235 -5.398 1.00 0.00 N ATOM 1014 CA LEU A 62 14.854 -3.673 -5.187 1.00 0.00 C ATOM 1015 C LEU A 62 13.765 -4.590 -5.756 1.00 0.00 C ATOM 1016 O LEU A 62 14.031 -5.701 -6.169 1.00 0.00 O ATOM 1017 CB LEU A 62 15.034 -3.978 -3.685 1.00 0.00 C ATOM 1018 CG LEU A 62 14.815 -2.722 -2.828 1.00 0.00 C ATOM 1019 CD1 LEU A 62 13.372 -2.238 -2.970 1.00 0.00 C ATOM 1020 CD2 LEU A 62 15.082 -3.051 -1.361 1.00 0.00 C ATOM 0 H LEU A 62 14.772 -1.613 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 62 15.795 -3.858 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.330 -4.754 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.036 -4.370 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 62 15.497 -1.942 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.225 -1.347 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.169 -1.999 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.691 -3.022 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.926 -2.159 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.400 -3.836 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.111 -3.393 -1.246 1.00 0.00 H new ATOM 1032 N THR A 63 12.550 -4.135 -5.779 1.00 0.00 N ATOM 1033 CA THR A 63 11.442 -4.970 -6.318 1.00 0.00 C ATOM 1034 C THR A 63 11.270 -4.668 -7.814 1.00 0.00 C ATOM 1035 O THR A 63 12.234 -4.569 -8.545 1.00 0.00 O ATOM 1036 CB THR A 63 10.157 -4.639 -5.551 1.00 0.00 C ATOM 1037 OG1 THR A 63 9.136 -5.563 -5.898 1.00 0.00 O ATOM 1038 CG2 THR A 63 9.709 -3.215 -5.888 1.00 0.00 C ATOM 0 H THR A 63 12.271 -3.212 -5.445 1.00 0.00 H new ATOM 0 HA THR A 63 11.666 -6.030 -6.197 1.00 0.00 H new ATOM 0 HB THR A 63 10.349 -4.710 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.520 -6.461 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.795 -2.982 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.491 -2.511 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.521 -3.136 -6.959 1.00 0.00 H new ATOM 1046 N GLU A 64 10.058 -4.520 -8.278 1.00 0.00 N ATOM 1047 CA GLU A 64 9.839 -4.223 -9.713 1.00 0.00 C ATOM 1048 C GLU A 64 8.432 -3.658 -9.866 1.00 0.00 C ATOM 1049 O GLU A 64 7.503 -4.371 -10.183 1.00 0.00 O ATOM 1050 CB GLU A 64 9.972 -5.510 -10.530 1.00 0.00 C ATOM 1051 CG GLU A 64 8.982 -6.551 -10.004 1.00 0.00 C ATOM 1052 CD GLU A 64 7.877 -6.772 -11.039 1.00 0.00 C ATOM 1053 OE1 GLU A 64 8.201 -7.162 -12.148 1.00 0.00 O ATOM 1054 OE2 GLU A 64 6.726 -6.549 -10.703 1.00 0.00 O ATOM 0 H GLU A 64 9.209 -4.593 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 64 10.576 -3.505 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.778 -5.307 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.990 -5.893 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.498 -7.489 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.550 -6.214 -9.061 1.00 0.00 H new ATOM 1061 N ASN A 65 8.269 -2.384 -9.615 1.00 0.00 N ATOM 1062 CA ASN A 65 6.922 -1.756 -9.719 1.00 0.00 C ATOM 1063 C ASN A 65 6.026 -2.289 -8.602 1.00 0.00 C ATOM 1064 O ASN A 65 4.847 -2.016 -8.556 1.00 0.00 O ATOM 1065 CB ASN A 65 6.303 -2.090 -11.080 1.00 0.00 C ATOM 1066 CG ASN A 65 4.832 -1.667 -11.092 1.00 0.00 C ATOM 1067 OD1 ASN A 65 4.511 -0.548 -11.442 1.00 0.00 O ATOM 1068 ND2 ASN A 65 3.918 -2.521 -10.720 1.00 0.00 N ATOM 0 H ASN A 65 9.019 -1.749 -9.341 1.00 0.00 H new ATOM 0 HA ASN A 65 7.016 -0.674 -9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.846 -1.577 -11.874 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.386 -3.159 -11.276 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.935 -2.249 -10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.187 -3.460 -10.426 1.00 0.00 H new ATOM 1075 N GLY A 66 6.577 -3.045 -7.697 1.00 0.00 N ATOM 1076 CA GLY A 66 5.755 -3.595 -6.586 1.00 0.00 C ATOM 1077 C GLY A 66 5.159 -2.452 -5.761 1.00 0.00 C ATOM 1078 O GLY A 66 3.958 -2.325 -5.636 1.00 0.00 O ATOM 0 H GLY A 66 7.563 -3.306 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.957 -4.219 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.369 -4.232 -5.950 1.00 0.00 H new ATOM 1082 N ALA A 67 5.990 -1.627 -5.187 1.00 0.00 N ATOM 1083 CA ALA A 67 5.475 -0.498 -4.360 1.00 0.00 C ATOM 1084 C ALA A 67 4.657 0.459 -5.227 1.00 0.00 C ATOM 1085 O ALA A 67 3.569 0.859 -4.861 1.00 0.00 O ATOM 1086 CB ALA A 67 6.654 0.254 -3.741 1.00 0.00 C ATOM 0 H ALA A 67 7.006 -1.686 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 67 4.836 -0.895 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.281 1.080 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.229 -0.426 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.293 0.644 -4.533 1.00 0.00 H new ATOM 1092 N GLU A 68 5.164 0.843 -6.367 1.00 0.00 N ATOM 1093 CA GLU A 68 4.400 1.780 -7.225 1.00 0.00 C ATOM 1094 C GLU A 68 3.073 1.136 -7.637 1.00 0.00 C ATOM 1095 O GLU A 68 2.186 1.793 -8.147 1.00 0.00 O ATOM 1096 CB GLU A 68 5.224 2.141 -8.466 1.00 0.00 C ATOM 1097 CG GLU A 68 5.169 1.003 -9.486 1.00 0.00 C ATOM 1098 CD GLU A 68 6.192 1.266 -10.593 1.00 0.00 C ATOM 1099 OE1 GLU A 68 7.369 1.340 -10.280 1.00 0.00 O ATOM 1100 OE2 GLU A 68 5.781 1.391 -11.735 1.00 0.00 O ATOM 0 H GLU A 68 6.068 0.548 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 68 4.192 2.693 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.840 3.058 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.258 2.334 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.381 0.052 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.168 0.928 -9.911 1.00 0.00 H new ATOM 1107 N SER A 69 2.921 -0.144 -7.416 1.00 0.00 N ATOM 1108 CA SER A 69 1.644 -0.814 -7.795 1.00 0.00 C ATOM 1109 C SER A 69 0.636 -0.663 -6.660 1.00 0.00 C ATOM 1110 O SER A 69 -0.439 -0.117 -6.850 1.00 0.00 O ATOM 1111 CB SER A 69 1.890 -2.298 -8.068 1.00 0.00 C ATOM 1112 OG SER A 69 1.418 -2.622 -9.370 1.00 0.00 O ATOM 0 H SER A 69 3.623 -0.751 -6.992 1.00 0.00 H new ATOM 0 HA SER A 69 1.251 -0.348 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.954 -2.523 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.379 -2.906 -7.322 1.00 0.00 H new ATOM 0 HG SER A 69 1.576 -3.573 -9.548 1.00 0.00 H new ATOM 1118 N VAL A 70 0.967 -1.108 -5.470 1.00 0.00 N ATOM 1119 CA VAL A 70 0.009 -0.938 -4.355 1.00 0.00 C ATOM 1120 C VAL A 70 -0.391 0.502 -4.382 1.00 0.00 C ATOM 1121 O VAL A 70 -1.511 0.860 -4.127 1.00 0.00 O ATOM 1122 CB VAL A 70 0.664 -1.195 -2.997 1.00 0.00 C ATOM 1123 CG1 VAL A 70 -0.277 -0.686 -1.888 1.00 0.00 C ATOM 1124 CG2 VAL A 70 0.918 -2.693 -2.816 1.00 0.00 C ATOM 0 H VAL A 70 1.844 -1.572 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.820 -1.636 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 70 1.618 -0.670 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.179 -0.864 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.449 0.382 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.228 -1.216 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.385 -2.868 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.029 -3.231 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.579 -3.048 -3.607 1.00 0.00 H new ATOM 1134 N LEU A 71 0.558 1.326 -4.686 1.00 0.00 N ATOM 1135 CA LEU A 71 0.293 2.761 -4.728 1.00 0.00 C ATOM 1136 C LEU A 71 -0.639 3.074 -5.888 1.00 0.00 C ATOM 1137 O LEU A 71 -1.590 3.803 -5.740 1.00 0.00 O ATOM 1138 CB LEU A 71 1.610 3.517 -4.877 1.00 0.00 C ATOM 1139 CG LEU A 71 1.409 4.987 -4.506 1.00 0.00 C ATOM 1140 CD1 LEU A 71 0.513 5.100 -3.268 1.00 0.00 C ATOM 1141 CD2 LEU A 71 2.766 5.613 -4.208 1.00 0.00 C ATOM 0 H LEU A 71 1.516 1.055 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.188 3.075 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.370 3.071 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.971 3.437 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 71 0.932 5.507 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.376 6.151 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.457 4.649 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.981 4.581 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.632 6.662 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.236 5.085 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.402 5.540 -5.090 1.00 0.00 H new ATOM 1153 N GLN A 72 -0.400 2.526 -7.043 1.00 0.00 N ATOM 1154 CA GLN A 72 -1.327 2.820 -8.164 1.00 0.00 C ATOM 1155 C GLN A 72 -2.754 2.571 -7.674 1.00 0.00 C ATOM 1156 O GLN A 72 -3.699 3.224 -8.079 1.00 0.00 O ATOM 1157 CB GLN A 72 -1.016 1.906 -9.351 1.00 0.00 C ATOM 1158 CG GLN A 72 0.009 2.583 -10.264 1.00 0.00 C ATOM 1159 CD GLN A 72 -0.317 2.267 -11.724 1.00 0.00 C ATOM 1160 OE1 GLN A 72 -0.993 3.029 -12.386 1.00 0.00 O ATOM 1161 NE2 GLN A 72 0.138 1.166 -12.259 1.00 0.00 N ATOM 0 H GLN A 72 0.378 1.902 -7.257 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.213 3.855 -8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.628 0.951 -8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.929 1.692 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.002 3.661 -10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.013 2.235 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.706 0.526 -11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.074 0.946 -13.232 1.00 0.00 H new ATOM 1170 N VAL A 73 -2.903 1.623 -6.798 1.00 0.00 N ATOM 1171 CA VAL A 73 -4.257 1.292 -6.260 1.00 0.00 C ATOM 1172 C VAL A 73 -4.657 2.252 -5.137 1.00 0.00 C ATOM 1173 O VAL A 73 -5.770 2.726 -5.099 1.00 0.00 O ATOM 1174 CB VAL A 73 -4.245 -0.141 -5.732 1.00 0.00 C ATOM 1175 CG1 VAL A 73 -5.555 -0.442 -5.008 1.00 0.00 C ATOM 1176 CG2 VAL A 73 -4.098 -1.085 -6.921 1.00 0.00 C ATOM 0 H VAL A 73 -2.142 1.056 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.986 1.392 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.419 -0.272 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.538 -1.466 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.675 0.247 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.389 -0.322 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.087 -2.116 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.936 -0.944 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.165 -0.870 -7.443 1.00 0.00 H new ATOM 1186 N PHE A 74 -3.777 2.542 -4.222 1.00 0.00 N ATOM 1187 CA PHE A 74 -4.123 3.462 -3.128 1.00 0.00 C ATOM 1188 C PHE A 74 -4.643 4.742 -3.760 1.00 0.00 C ATOM 1189 O PHE A 74 -5.731 5.205 -3.476 1.00 0.00 O ATOM 1190 CB PHE A 74 -2.861 3.743 -2.320 1.00 0.00 C ATOM 1191 CG PHE A 74 -2.828 2.829 -1.122 1.00 0.00 C ATOM 1192 CD1 PHE A 74 -3.419 3.230 0.077 1.00 0.00 C ATOM 1193 CD2 PHE A 74 -2.214 1.575 -1.213 1.00 0.00 C ATOM 1194 CE1 PHE A 74 -3.391 2.377 1.181 1.00 0.00 C ATOM 1195 CE2 PHE A 74 -2.193 0.725 -0.104 1.00 0.00 C ATOM 1196 CZ PHE A 74 -2.779 1.132 1.090 1.00 0.00 C ATOM 0 H PHE A 74 -2.827 2.173 -4.193 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.880 3.041 -2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.977 3.586 -2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.844 4.784 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.896 4.196 0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.756 1.264 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.847 2.685 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.723 -0.245 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.759 0.478 1.950 1.00 0.00 H new ATOM 1206 N ARG A 75 -3.869 5.298 -4.644 1.00 0.00 N ATOM 1207 CA ARG A 75 -4.301 6.529 -5.342 1.00 0.00 C ATOM 1208 C ARG A 75 -5.568 6.215 -6.143 1.00 0.00 C ATOM 1209 O ARG A 75 -6.506 6.984 -6.147 1.00 0.00 O ATOM 1210 CB ARG A 75 -3.192 7.004 -6.283 1.00 0.00 C ATOM 1211 CG ARG A 75 -2.187 7.849 -5.497 1.00 0.00 C ATOM 1212 CD ARG A 75 -0.791 7.681 -6.099 1.00 0.00 C ATOM 1213 NE ARG A 75 -0.806 8.123 -7.521 1.00 0.00 N ATOM 1214 CZ ARG A 75 -1.181 7.295 -8.457 1.00 0.00 C ATOM 1215 NH1 ARG A 75 -0.460 6.240 -8.722 1.00 0.00 N ATOM 1216 NH2 ARG A 75 -2.277 7.521 -9.127 1.00 0.00 N ATOM 0 H ARG A 75 -2.950 4.948 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.507 7.318 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.690 6.148 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.617 7.589 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.481 8.898 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.181 7.545 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.067 8.266 -5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.479 6.639 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.523 9.073 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.397 6.063 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.753 5.593 -9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.841 8.345 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.570 6.874 -9.859 1.00 0.00 H new ATOM 1230 N GLU A 76 -5.622 5.082 -6.810 1.00 0.00 N ATOM 1231 CA GLU A 76 -6.856 4.750 -7.578 1.00 0.00 C ATOM 1232 C GLU A 76 -8.041 4.714 -6.616 1.00 0.00 C ATOM 1233 O GLU A 76 -9.183 4.843 -7.005 1.00 0.00 O ATOM 1234 CB GLU A 76 -6.700 3.378 -8.224 1.00 0.00 C ATOM 1235 CG GLU A 76 -6.286 3.549 -9.684 1.00 0.00 C ATOM 1236 CD GLU A 76 -5.739 2.226 -10.222 1.00 0.00 C ATOM 1237 OE1 GLU A 76 -4.826 1.693 -9.613 1.00 0.00 O ATOM 1238 OE2 GLU A 76 -6.243 1.768 -11.234 1.00 0.00 O ATOM 0 H GLU A 76 -4.876 4.388 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.021 5.501 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.951 2.795 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.638 2.826 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.141 3.869 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.529 4.328 -9.769 1.00 0.00 H new ATOM 1245 N ALA A 77 -7.768 4.531 -5.359 1.00 0.00 N ATOM 1246 CA ALA A 77 -8.856 4.479 -4.346 1.00 0.00 C ATOM 1247 C ALA A 77 -9.270 5.903 -3.981 1.00 0.00 C ATOM 1248 O ALA A 77 -10.426 6.267 -4.078 1.00 0.00 O ATOM 1249 CB ALA A 77 -8.344 3.739 -3.103 1.00 0.00 C ATOM 0 H ALA A 77 -6.827 4.414 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.721 3.951 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.135 3.696 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.049 2.726 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.484 4.269 -2.693 1.00 0.00 H new ATOM 1255 N LYS A 78 -8.340 6.719 -3.573 1.00 0.00 N ATOM 1256 CA LYS A 78 -8.693 8.120 -3.219 1.00 0.00 C ATOM 1257 C LYS A 78 -9.104 8.865 -4.497 1.00 0.00 C ATOM 1258 O LYS A 78 -9.608 9.970 -4.451 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.485 8.784 -2.528 1.00 0.00 C ATOM 1260 CG LYS A 78 -7.021 10.041 -3.275 1.00 0.00 C ATOM 1261 CD LYS A 78 -6.405 9.641 -4.616 1.00 0.00 C ATOM 1262 CE LYS A 78 -4.880 9.635 -4.494 1.00 0.00 C ATOM 1263 NZ LYS A 78 -4.374 11.038 -4.521 1.00 0.00 N ATOM 0 H LYS A 78 -7.354 6.477 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.533 8.149 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.751 9.047 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.662 8.071 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.864 10.713 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.291 10.584 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.761 8.654 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.716 10.339 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.581 9.147 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.441 9.063 -5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.351 11.035 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.863 11.569 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.554 11.490 -3.602 1.00 0.00 H new ATOM 1277 N ALA A 79 -8.899 8.256 -5.634 1.00 0.00 N ATOM 1278 CA ALA A 79 -9.280 8.906 -6.918 1.00 0.00 C ATOM 1279 C ALA A 79 -10.685 8.466 -7.296 1.00 0.00 C ATOM 1280 O ALA A 79 -11.621 9.240 -7.312 1.00 0.00 O ATOM 1281 CB ALA A 79 -8.334 8.442 -8.024 1.00 0.00 C ATOM 0 H ALA A 79 -8.481 7.330 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.228 9.989 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.613 8.918 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.311 8.717 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.402 7.359 -8.131 1.00 0.00 H new ATOM 1287 N GLU A 80 -10.820 7.214 -7.611 1.00 0.00 N ATOM 1288 CA GLU A 80 -12.135 6.673 -8.010 1.00 0.00 C ATOM 1289 C GLU A 80 -13.198 7.080 -6.988 1.00 0.00 C ATOM 1290 O GLU A 80 -14.178 7.713 -7.328 1.00 0.00 O ATOM 1291 CB GLU A 80 -12.038 5.152 -8.091 1.00 0.00 C ATOM 1292 CG GLU A 80 -10.861 4.760 -8.989 1.00 0.00 C ATOM 1293 CD GLU A 80 -11.390 4.295 -10.346 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -12.283 4.944 -10.866 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -10.894 3.297 -10.844 1.00 0.00 O ATOM 0 H GLU A 80 -10.060 6.534 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.420 7.073 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.904 4.732 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.965 4.739 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.190 5.609 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.281 3.965 -8.521 1.00 0.00 H new ATOM 1302 N GLY A 81 -13.027 6.729 -5.738 1.00 0.00 N ATOM 1303 CA GLY A 81 -14.059 7.122 -4.732 1.00 0.00 C ATOM 1304 C GLY A 81 -13.493 7.033 -3.315 1.00 0.00 C ATOM 1305 O GLY A 81 -13.789 7.854 -2.469 1.00 0.00 O ATOM 0 H GLY A 81 -12.235 6.198 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.399 8.139 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.929 6.472 -4.823 1.00 0.00 H new ATOM 1309 N ALA A 82 -12.699 6.037 -3.044 1.00 0.00 N ATOM 1310 CA ALA A 82 -12.125 5.880 -1.677 1.00 0.00 C ATOM 1311 C ALA A 82 -11.726 7.238 -1.099 1.00 0.00 C ATOM 1312 O ALA A 82 -11.484 8.189 -1.814 1.00 0.00 O ATOM 1313 CB ALA A 82 -10.881 4.996 -1.746 1.00 0.00 C ATOM 0 H ALA A 82 -12.420 5.320 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.881 5.425 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.461 4.881 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.152 4.017 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.142 5.459 -2.400 1.00 0.00 H new ATOM 1319 N ASP A 83 -11.631 7.320 0.200 1.00 0.00 N ATOM 1320 CA ASP A 83 -11.217 8.593 0.850 1.00 0.00 C ATOM 1321 C ASP A 83 -9.846 8.364 1.487 1.00 0.00 C ATOM 1322 O ASP A 83 -9.679 8.436 2.690 1.00 0.00 O ATOM 1323 CB ASP A 83 -12.233 8.980 1.927 1.00 0.00 C ATOM 1324 CG ASP A 83 -13.284 9.915 1.327 1.00 0.00 C ATOM 1325 OD1 ASP A 83 -12.905 10.971 0.848 1.00 0.00 O ATOM 1326 OD2 ASP A 83 -14.451 9.559 1.356 1.00 0.00 O ATOM 0 H ASP A 83 -11.824 6.552 0.843 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.168 9.399 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.712 8.087 2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.728 9.470 2.759 1.00 0.00 H new ATOM 1331 N ILE A 84 -8.872 8.044 0.682 1.00 0.00 N ATOM 1332 CA ILE A 84 -7.516 7.763 1.223 1.00 0.00 C ATOM 1333 C ILE A 84 -6.563 8.925 0.947 1.00 0.00 C ATOM 1334 O ILE A 84 -6.234 9.216 -0.183 1.00 0.00 O ATOM 1335 CB ILE A 84 -6.968 6.515 0.540 1.00 0.00 C ATOM 1336 CG1 ILE A 84 -7.825 5.315 0.914 1.00 0.00 C ATOM 1337 CG2 ILE A 84 -5.531 6.265 0.995 1.00 0.00 C ATOM 1338 CD1 ILE A 84 -7.845 4.332 -0.251 1.00 0.00 C ATOM 0 H ILE A 84 -8.958 7.965 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.593 7.621 2.301 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.987 6.661 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.426 4.832 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.839 5.637 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.144 5.372 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.911 7.122 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.511 6.122 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.458 3.470 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.263 4.820 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.829 4.003 -0.467 1.00 0.00 H new ATOM 1350 N THR A 85 -6.077 9.563 1.970 1.00 0.00 N ATOM 1351 CA THR A 85 -5.113 10.666 1.746 1.00 0.00 C ATOM 1352 C THR A 85 -3.748 10.040 1.456 1.00 0.00 C ATOM 1353 O THR A 85 -3.017 9.667 2.354 1.00 0.00 O ATOM 1354 CB THR A 85 -5.024 11.543 3.000 1.00 0.00 C ATOM 1355 OG1 THR A 85 -6.310 12.066 3.302 1.00 0.00 O ATOM 1356 CG2 THR A 85 -4.048 12.693 2.751 1.00 0.00 C ATOM 0 H THR A 85 -6.304 9.369 2.945 1.00 0.00 H new ATOM 0 HA THR A 85 -5.434 11.289 0.911 1.00 0.00 H new ATOM 0 HB THR A 85 -4.669 10.944 3.839 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.255 12.626 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.985 13.316 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.062 12.290 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.400 13.294 1.913 1.00 0.00 H new ATOM 1364 N ILE A 86 -3.408 9.901 0.202 1.00 0.00 N ATOM 1365 CA ILE A 86 -2.100 9.288 -0.147 1.00 0.00 C ATOM 1366 C ILE A 86 -0.999 10.327 0.079 1.00 0.00 C ATOM 1367 O ILE A 86 -1.088 11.450 -0.379 1.00 0.00 O ATOM 1368 CB ILE A 86 -2.135 8.802 -1.617 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -2.108 7.271 -1.648 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -0.924 9.318 -2.407 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -3.254 6.703 -0.808 1.00 0.00 C ATOM 0 H ILE A 86 -3.981 10.186 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.896 8.423 0.484 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.047 9.187 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.193 6.920 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.154 6.909 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.980 8.958 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.925 10.408 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.006 8.954 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.223 5.614 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.151 7.040 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.206 7.050 -1.209 1.00 0.00 H new ATOM 1383 N ILE A 87 0.032 9.967 0.788 1.00 0.00 N ATOM 1384 CA ILE A 87 1.128 10.944 1.048 1.00 0.00 C ATOM 1385 C ILE A 87 2.159 10.881 -0.081 1.00 0.00 C ATOM 1386 O ILE A 87 2.201 11.738 -0.942 1.00 0.00 O ATOM 1387 CB ILE A 87 1.804 10.613 2.379 1.00 0.00 C ATOM 1388 CG1 ILE A 87 0.860 10.974 3.527 1.00 0.00 C ATOM 1389 CG2 ILE A 87 3.097 11.419 2.514 1.00 0.00 C ATOM 1390 CD1 ILE A 87 0.658 12.489 3.562 1.00 0.00 C ATOM 0 H ILE A 87 0.165 9.043 1.198 1.00 0.00 H new ATOM 0 HA ILE A 87 0.709 11.949 1.094 1.00 0.00 H new ATOM 0 HB ILE A 87 2.037 9.549 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.098 10.471 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.274 10.629 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.577 11.181 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.770 11.167 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.867 12.484 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.015 12.748 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.619 12.981 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.225 12.820 2.618 1.00 0.00 H new ATOM 1402 N LEU A 88 2.994 9.877 -0.083 1.00 0.00 N ATOM 1403 CA LEU A 88 4.024 9.764 -1.155 1.00 0.00 C ATOM 1404 C LEU A 88 5.040 10.901 -1.018 1.00 0.00 C ATOM 1405 O LEU A 88 5.597 11.366 -1.990 1.00 0.00 O ATOM 1406 CB LEU A 88 3.349 9.849 -2.526 1.00 0.00 C ATOM 1407 CG LEU A 88 3.246 8.451 -3.131 1.00 0.00 C ATOM 1408 CD1 LEU A 88 2.636 8.543 -4.531 1.00 0.00 C ATOM 1409 CD2 LEU A 88 4.642 7.831 -3.223 1.00 0.00 C ATOM 0 H LEU A 88 3.007 9.130 0.612 1.00 0.00 H new ATOM 0 HA LEU A 88 4.537 8.807 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.356 10.288 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.922 10.501 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 88 2.612 7.829 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.563 7.545 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.641 8.984 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.269 9.166 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.569 6.833 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.276 8.454 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.077 7.764 -2.226 1.00 0.00 H new ATOM 1421 N SER A 89 5.286 11.350 0.183 1.00 0.00 N ATOM 1422 CA SER A 89 6.269 12.455 0.376 1.00 0.00 C ATOM 1423 C SER A 89 6.382 12.783 1.867 1.00 0.00 C ATOM 1424 O SER A 89 7.055 13.749 2.190 1.00 0.00 O ATOM 1425 CB SER A 89 5.799 13.695 -0.384 1.00 0.00 C ATOM 1426 OG SER A 89 6.897 14.582 -0.558 1.00 0.00 O ATOM 1427 OXT SER A 89 5.797 12.064 2.659 1.00 0.00 O ATOM 0 H SER A 89 4.850 11.001 1.037 1.00 0.00 H new ATOM 0 HA SER A 89 7.243 12.144 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.390 13.409 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.999 14.191 0.165 1.00 0.00 H new ATOM 0 HG SER A 89 7.399 14.650 0.281 1.00 0.00 H new TER 1433 SER A 89