USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 972 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 4 SER OG : rot 180:sc= 0.264 USER MOD Set 1.2: A 105 THR OG1 : rot -87:sc= 0.29 USER MOD Set 2.1: A 92 GLN : amide:sc= -0.382 X(o=-0.53,f=-0.13) USER MOD Set 2.2: A 103 GLN : amide:sc= -0.149 X(o=-0.53,f=-0.13) USER MOD Set 3.1: A 41 SER OG : rot 100:sc= 1.25 USER MOD Set 3.2: A 53 HIS : no HD1:sc= -1.43 K(o=-0.19,f=-6.9!) USER MOD Set 4.1: A 30 ASN : amide:sc= -1.34 X(o=-1.4,f=-1.4!) USER MOD Set 4.2: A 38 THR OG1 : rot -131:sc= 0.765 USER MOD Set 4.3: A 55 MET CE :methyl 144:sc= -0.788 (180deg=-2.63!) USER MOD Single : A 1 MET CE :methyl -125:sc= -0.525 (180deg=-0.682) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.0773 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.0604 K(o=0.06,f=-0.91) USER MOD Single : A 11 GLN : amide:sc= -2.43! C(o=-2.4!,f=-5.7!) USER MOD Single : A 21 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.037) USER MOD Single : A 25 CYS SG : rot -19:sc= -5.43! USER MOD Single : A 33 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -32:sc= 0.647 USER MOD Single : A 54 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.5) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 1.2 (180deg=1.01) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 48:sc= 1.17 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc=4.01e-05 USER MOD Single : A 77 THR OG1 : rot 101:sc= -0.445 USER MOD Single : A 80 SER OG : rot -53:sc= 0.559 USER MOD Single : A 83 MET CE :methyl -164:sc= -0.697 (180deg=-1.19) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 113 THR OG1 : rot 27:sc= 0.138 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 117 GLN : amide:sc= 0.686 K(o=0.69,f=-5.1!) USER MOD Single : A 118 GLN : amide:sc= -0.0947 X(o=-0.095,f=-0.38) USER MOD Single : A 122 GLN : amide:sc= -0.958 K(o=-0.96,f=-0.39) USER MOD Single : A 127 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.041) USER MOD Single : A 129 LYS NZ :NH3+ 170:sc= 0.873 (180deg=0.776) USER MOD Single : A 131 TYR OH : rot 30:sc= -0.0823 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.492 17.752 3.495 1.00 0.00 N ATOM 2 CA MET A 1 5.881 17.083 4.664 1.00 0.00 C ATOM 3 C MET A 1 5.667 15.602 4.349 1.00 0.00 C ATOM 4 O MET A 1 5.566 15.221 3.179 1.00 0.00 O ATOM 5 CB MET A 1 4.526 17.749 5.057 1.00 0.00 C ATOM 6 CG MET A 1 3.396 17.634 4.010 1.00 0.00 C ATOM 7 SD MET A 1 1.802 18.244 4.617 1.00 0.00 S ATOM 8 CE MET A 1 1.452 17.107 5.968 1.00 0.00 C ATOM 0 H1 MET A 1 7.506 17.902 3.672 1.00 0.00 H new ATOM 0 H2 MET A 1 6.372 17.155 2.652 1.00 0.00 H new ATOM 0 H3 MET A 1 6.028 18.670 3.339 1.00 0.00 H new ATOM 0 HA MET A 1 6.559 17.185 5.512 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.180 17.303 5.989 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.706 18.805 5.257 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.677 18.194 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.290 16.591 3.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.476 16.648 5.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.217 16.331 5.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.451 17.653 6.912 1.00 0.00 H new ATOM 20 N LYS A 2 5.588 14.781 5.402 1.00 0.00 N ATOM 21 CA LYS A 2 5.290 13.345 5.296 1.00 0.00 C ATOM 22 C LYS A 2 4.540 12.885 6.547 1.00 0.00 C ATOM 23 O LYS A 2 4.692 13.471 7.628 1.00 0.00 O ATOM 24 CB LYS A 2 6.589 12.525 5.089 1.00 0.00 C ATOM 25 CG LYS A 2 7.649 12.672 6.210 1.00 0.00 C ATOM 26 CD LYS A 2 8.959 11.917 5.890 1.00 0.00 C ATOM 27 CE LYS A 2 9.627 12.424 4.603 1.00 0.00 C ATOM 28 NZ LYS A 2 10.777 11.579 4.201 1.00 0.00 N ATOM 0 H LYS A 2 5.730 15.096 6.362 1.00 0.00 H new ATOM 0 HA LYS A 2 4.657 13.176 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.324 11.472 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.041 12.823 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.870 13.729 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.237 12.297 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.652 12.028 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.747 10.852 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.893 12.443 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.965 13.450 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.198 11.957 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.490 11.580 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.451 10.606 4.034 1.00 0.00 H new ATOM 42 N ILE A 3 3.703 11.854 6.377 1.00 0.00 N ATOM 43 CA ILE A 3 2.856 11.299 7.442 1.00 0.00 C ATOM 44 C ILE A 3 3.166 9.800 7.613 1.00 0.00 C ATOM 45 O ILE A 3 3.245 9.063 6.626 1.00 0.00 O ATOM 46 CB ILE A 3 1.328 11.496 7.108 1.00 0.00 C ATOM 47 CG1 ILE A 3 0.992 13.013 6.866 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.436 10.892 8.222 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.432 13.302 6.404 1.00 0.00 C ATOM 0 H ILE A 3 3.593 11.375 5.483 1.00 0.00 H new ATOM 0 HA ILE A 3 3.071 11.828 8.370 1.00 0.00 H new ATOM 0 HB ILE A 3 1.114 10.960 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.174 13.560 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.684 13.407 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.614 11.041 7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.640 9.825 8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.654 11.385 9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.559 14.376 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.619 12.791 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.137 12.946 7.155 1.00 0.00 H new ATOM 61 N SER A 4 3.337 9.372 8.871 1.00 0.00 N ATOM 62 CA SER A 4 3.579 7.966 9.228 1.00 0.00 C ATOM 63 C SER A 4 2.299 7.344 9.835 1.00 0.00 C ATOM 64 O SER A 4 1.823 7.798 10.878 1.00 0.00 O ATOM 65 CB SER A 4 4.760 7.885 10.219 1.00 0.00 C ATOM 66 OG SER A 4 5.940 8.407 9.644 1.00 0.00 O ATOM 0 H SER A 4 3.311 9.997 9.677 1.00 0.00 H new ATOM 0 HA SER A 4 3.836 7.399 8.333 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.517 8.439 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.922 6.848 10.513 1.00 0.00 H new ATOM 0 HG SER A 4 6.674 8.346 10.291 1.00 0.00 H new ATOM 72 N ILE A 5 1.747 6.320 9.152 1.00 0.00 N ATOM 73 CA ILE A 5 0.605 5.511 9.646 1.00 0.00 C ATOM 74 C ILE A 5 1.094 4.066 9.893 1.00 0.00 C ATOM 75 O ILE A 5 2.138 3.668 9.366 1.00 0.00 O ATOM 76 CB ILE A 5 -0.602 5.490 8.621 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.179 4.795 7.286 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.139 6.921 8.360 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.279 4.605 6.266 1.00 0.00 C ATOM 0 H ILE A 5 2.081 6.026 8.234 1.00 0.00 H new ATOM 0 HA ILE A 5 0.241 5.964 10.568 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.412 4.910 9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.617 5.383 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.242 3.818 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.967 6.875 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.486 7.356 9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.342 7.539 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.874 4.114 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.069 3.988 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.688 5.576 5.987 1.00 0.00 H new ATOM 91 N GLU A 6 0.353 3.288 10.703 1.00 0.00 N ATOM 92 CA GLU A 6 0.772 1.922 11.080 1.00 0.00 C ATOM 93 C GLU A 6 -0.428 0.992 11.361 1.00 0.00 C ATOM 94 O GLU A 6 -1.563 1.456 11.530 1.00 0.00 O ATOM 95 CB GLU A 6 1.782 1.986 12.279 1.00 0.00 C ATOM 96 CG GLU A 6 1.433 2.962 13.436 1.00 0.00 C ATOM 97 CD GLU A 6 0.198 2.565 14.271 1.00 0.00 C ATOM 98 OE1 GLU A 6 0.237 1.519 14.954 1.00 0.00 O ATOM 99 OE2 GLU A 6 -0.816 3.293 14.253 1.00 0.00 O ATOM 0 H GLU A 6 -0.536 3.579 11.109 1.00 0.00 H new ATOM 0 HA GLU A 6 1.286 1.475 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.878 0.984 12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.760 2.262 11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.294 3.037 14.100 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.266 3.954 13.017 1.00 0.00 H new ATOM 106 N ALA A 7 -0.151 -0.330 11.379 1.00 0.00 N ATOM 107 CA ALA A 7 -1.149 -1.391 11.627 1.00 0.00 C ATOM 108 C ALA A 7 -0.495 -2.554 12.398 1.00 0.00 C ATOM 109 O ALA A 7 0.587 -3.020 12.026 1.00 0.00 O ATOM 110 CB ALA A 7 -1.733 -1.902 10.297 1.00 0.00 C ATOM 0 H ALA A 7 0.788 -0.695 11.219 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.960 -0.976 12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.466 -2.683 10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.215 -1.078 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.931 -2.307 9.679 1.00 0.00 H new ATOM 116 N HIS A 8 -1.160 -3.010 13.473 1.00 0.00 N ATOM 117 CA HIS A 8 -0.769 -4.214 14.227 1.00 0.00 C ATOM 118 C HIS A 8 -1.516 -5.416 13.613 1.00 0.00 C ATOM 119 O HIS A 8 -2.688 -5.650 13.914 1.00 0.00 O ATOM 120 CB HIS A 8 -1.103 -4.036 15.738 1.00 0.00 C ATOM 121 CG HIS A 8 -0.900 -5.271 16.593 1.00 0.00 C ATOM 122 ND1 HIS A 8 0.326 -5.653 17.079 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.777 -6.212 17.032 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.200 -6.763 17.776 1.00 0.00 C ATOM 125 NE2 HIS A 8 -1.066 -7.122 17.764 1.00 0.00 N ATOM 0 H HIS A 8 -1.990 -2.550 13.846 1.00 0.00 H new ATOM 0 HA HIS A 8 0.306 -4.384 14.160 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.486 -3.231 16.138 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.141 -3.717 15.829 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.201 -5.153 16.924 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.839 -6.236 16.838 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.001 -7.290 18.274 1.00 0.00 H new ATOM 134 N ILE A 9 -0.848 -6.114 12.682 1.00 0.00 N ATOM 135 CA ILE A 9 -1.416 -7.275 11.980 1.00 0.00 C ATOM 136 C ILE A 9 -0.847 -8.559 12.591 1.00 0.00 C ATOM 137 O ILE A 9 0.345 -8.845 12.438 1.00 0.00 O ATOM 138 CB ILE A 9 -1.105 -7.202 10.433 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.658 -5.860 9.842 1.00 0.00 C ATOM 140 CG2 ILE A 9 -1.672 -8.434 9.671 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.397 -5.649 8.368 1.00 0.00 C ATOM 0 H ILE A 9 0.104 -5.888 12.394 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.500 -7.272 12.097 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.023 -7.223 10.300 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.734 -5.823 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.218 -5.030 10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.437 -8.346 8.610 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.223 -9.345 10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.753 -8.476 9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.819 -4.693 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.322 -5.648 8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.862 -6.453 7.797 1.00 0.00 H new ATOM 153 N GLU A 10 -1.697 -9.316 13.310 1.00 0.00 N ATOM 154 CA GLU A 10 -1.317 -10.609 13.893 1.00 0.00 C ATOM 155 C GLU A 10 -1.310 -11.674 12.788 1.00 0.00 C ATOM 156 O GLU A 10 -2.329 -12.306 12.507 1.00 0.00 O ATOM 157 CB GLU A 10 -2.256 -10.987 15.073 1.00 0.00 C ATOM 158 CG GLU A 10 -2.104 -10.065 16.300 1.00 0.00 C ATOM 159 CD GLU A 10 -3.019 -10.455 17.472 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.657 -11.372 18.246 1.00 0.00 O ATOM 161 OE2 GLU A 10 -4.104 -9.847 17.626 1.00 0.00 O ATOM 0 H GLU A 10 -2.662 -9.047 13.501 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.313 -10.543 14.312 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.290 -10.954 14.729 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.053 -12.015 15.374 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.067 -10.086 16.635 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.322 -9.039 16.004 1.00 0.00 H new ATOM 168 N GLN A 11 -0.152 -11.770 12.121 1.00 0.00 N ATOM 169 CA GLN A 11 0.101 -12.697 11.012 1.00 0.00 C ATOM 170 C GLN A 11 1.613 -12.747 10.751 1.00 0.00 C ATOM 171 O GLN A 11 2.311 -11.782 11.052 1.00 0.00 O ATOM 172 CB GLN A 11 -0.665 -12.214 9.739 1.00 0.00 C ATOM 173 CG GLN A 11 -0.405 -13.017 8.452 1.00 0.00 C ATOM 174 CD GLN A 11 -0.859 -14.472 8.538 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.091 -15.355 8.912 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.109 -14.723 8.211 1.00 0.00 N ATOM 0 H GLN A 11 0.656 -11.189 12.345 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.253 -13.696 11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.734 -12.240 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.402 -11.173 9.554 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.919 -12.533 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.661 -12.990 8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.718 -13.964 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.468 -15.676 8.264 1.00 0.00 H new ATOM 185 N GLU A 12 2.102 -13.870 10.198 1.00 0.00 N ATOM 186 CA GLU A 12 3.505 -14.036 9.767 1.00 0.00 C ATOM 187 C GLU A 12 3.860 -13.010 8.688 1.00 0.00 C ATOM 188 O GLU A 12 3.057 -12.781 7.787 1.00 0.00 O ATOM 189 CB GLU A 12 3.725 -15.487 9.231 1.00 0.00 C ATOM 190 CG GLU A 12 3.922 -16.563 10.319 1.00 0.00 C ATOM 191 CD GLU A 12 2.768 -16.658 11.336 1.00 0.00 C ATOM 192 OE1 GLU A 12 2.812 -15.951 12.370 1.00 0.00 O ATOM 193 OE2 GLU A 12 1.815 -17.432 11.108 1.00 0.00 O ATOM 0 H GLU A 12 1.530 -14.698 10.035 1.00 0.00 H new ATOM 0 HA GLU A 12 4.159 -13.871 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.868 -15.765 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.598 -15.488 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.045 -17.532 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.847 -16.354 10.856 1.00 0.00 H new ATOM 200 N ILE A 13 5.078 -12.440 8.778 1.00 0.00 N ATOM 201 CA ILE A 13 5.547 -11.350 7.892 1.00 0.00 C ATOM 202 C ILE A 13 5.522 -11.777 6.405 1.00 0.00 C ATOM 203 O ILE A 13 5.323 -10.953 5.515 1.00 0.00 O ATOM 204 CB ILE A 13 6.998 -10.875 8.308 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.380 -9.535 7.606 1.00 0.00 C ATOM 206 CG2 ILE A 13 8.068 -11.964 8.023 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.748 -9.004 7.975 1.00 0.00 C ATOM 0 H ILE A 13 5.770 -12.723 9.471 1.00 0.00 H new ATOM 0 HA ILE A 13 4.860 -10.512 8.010 1.00 0.00 H new ATOM 0 HB ILE A 13 6.978 -10.704 9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.339 -9.680 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.632 -8.782 7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.050 -11.597 8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.829 -12.865 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.077 -12.195 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.932 -8.071 7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.791 -8.823 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.508 -9.735 7.700 1.00 0.00 H new ATOM 219 N GLU A 14 5.722 -13.089 6.172 1.00 0.00 N ATOM 220 CA GLU A 14 5.672 -13.711 4.833 1.00 0.00 C ATOM 221 C GLU A 14 4.249 -13.653 4.239 1.00 0.00 C ATOM 222 O GLU A 14 4.079 -13.356 3.056 1.00 0.00 O ATOM 223 CB GLU A 14 6.177 -15.180 4.918 1.00 0.00 C ATOM 224 CG GLU A 14 5.421 -16.051 5.944 1.00 0.00 C ATOM 225 CD GLU A 14 5.989 -17.463 6.097 1.00 0.00 C ATOM 226 OE1 GLU A 14 7.101 -17.601 6.650 1.00 0.00 O ATOM 227 OE2 GLU A 14 5.324 -18.443 5.685 1.00 0.00 O ATOM 0 H GLU A 14 5.925 -13.755 6.917 1.00 0.00 H new ATOM 0 HA GLU A 14 6.325 -13.148 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.090 -15.640 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.236 -15.174 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.443 -15.554 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.375 -16.121 5.646 1.00 0.00 H new ATOM 234 N ALA A 15 3.236 -13.916 5.083 1.00 0.00 N ATOM 235 CA ALA A 15 1.815 -13.966 4.669 1.00 0.00 C ATOM 236 C ALA A 15 1.175 -12.564 4.653 1.00 0.00 C ATOM 237 O ALA A 15 0.196 -12.332 3.930 1.00 0.00 O ATOM 238 CB ALA A 15 1.046 -14.920 5.580 1.00 0.00 C ATOM 0 H ALA A 15 3.376 -14.101 6.076 1.00 0.00 H new ATOM 0 HA ALA A 15 1.767 -14.342 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.001 -14.954 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.478 -15.918 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.109 -14.570 6.610 1.00 0.00 H new ATOM 244 N VAL A 16 1.727 -11.645 5.470 1.00 0.00 N ATOM 245 CA VAL A 16 1.413 -10.204 5.401 1.00 0.00 C ATOM 246 C VAL A 16 1.899 -9.676 4.040 1.00 0.00 C ATOM 247 O VAL A 16 1.153 -9.028 3.306 1.00 0.00 O ATOM 248 CB VAL A 16 2.096 -9.389 6.581 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.888 -7.860 6.448 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.606 -9.875 7.964 1.00 0.00 C ATOM 0 H VAL A 16 2.403 -11.881 6.196 1.00 0.00 H new ATOM 0 HA VAL A 16 0.337 -10.070 5.508 1.00 0.00 H new ATOM 0 HB VAL A 16 3.166 -9.583 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.375 -7.353 7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.321 -7.514 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.821 -7.635 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.094 -9.295 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.526 -9.743 8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.852 -10.930 8.087 1.00 0.00 H new ATOM 260 N TRP A 17 3.160 -10.029 3.707 1.00 0.00 N ATOM 261 CA TRP A 17 3.791 -9.675 2.429 1.00 0.00 C ATOM 262 C TRP A 17 3.111 -10.388 1.251 1.00 0.00 C ATOM 263 O TRP A 17 3.072 -9.841 0.149 1.00 0.00 O ATOM 264 CB TRP A 17 5.304 -10.006 2.450 1.00 0.00 C ATOM 265 CG TRP A 17 6.026 -9.629 1.176 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.369 -10.456 0.137 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.471 -8.319 0.799 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.967 -9.735 -0.855 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.053 -8.429 -0.470 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.430 -7.068 1.416 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.589 -7.338 -1.137 1.00 0.00 C ATOM 272 CZ3 TRP A 17 6.963 -5.984 0.750 1.00 0.00 C ATOM 273 CH2 TRP A 17 7.538 -6.127 -0.516 1.00 0.00 C ATOM 0 H TRP A 17 3.766 -10.570 4.324 1.00 0.00 H new ATOM 0 HA TRP A 17 3.669 -8.600 2.293 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.769 -9.487 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.431 -11.074 2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.192 -11.521 0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.297 -10.112 -1.743 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.990 -6.951 2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.032 -7.445 -2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.936 -5.009 1.214 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.950 -5.260 -1.011 1.00 0.00 H new ATOM 284 N TRP A 18 2.584 -11.609 1.487 1.00 0.00 N ATOM 285 CA TRP A 18 1.829 -12.353 0.461 1.00 0.00 C ATOM 286 C TRP A 18 0.596 -11.532 0.067 1.00 0.00 C ATOM 287 O TRP A 18 0.410 -11.199 -1.097 1.00 0.00 O ATOM 288 CB TRP A 18 1.405 -13.763 0.955 1.00 0.00 C ATOM 289 CG TRP A 18 0.607 -14.551 -0.078 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.104 -15.288 -1.120 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.831 -14.658 -0.173 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.078 -15.820 -1.857 1.00 0.00 N ATOM 293 CE2 TRP A 18 -1.118 -15.453 -1.299 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.897 -14.152 0.580 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.415 -15.755 -1.689 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -3.188 -14.452 0.192 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.438 -15.247 -0.934 1.00 0.00 C ATOM 0 H TRP A 18 2.669 -12.098 2.378 1.00 0.00 H new ATOM 0 HA TRP A 18 2.475 -12.504 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.297 -14.329 1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.809 -13.658 1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.154 -15.430 -1.331 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.188 -16.398 -2.690 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.713 -13.538 1.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.610 -16.368 -2.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.018 -14.068 0.766 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.459 -15.464 -1.212 1.00 0.00 H new ATOM 308 N ALA A 19 -0.192 -11.159 1.080 1.00 0.00 N ATOM 309 CA ALA A 19 -1.410 -10.355 0.899 1.00 0.00 C ATOM 310 C ALA A 19 -1.091 -8.890 0.510 1.00 0.00 C ATOM 311 O ALA A 19 -2.000 -8.131 0.168 1.00 0.00 O ATOM 312 CB ALA A 19 -2.257 -10.420 2.174 1.00 0.00 C ATOM 0 H ALA A 19 -0.005 -11.405 2.052 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.977 -10.775 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.160 -9.824 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.531 -11.455 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.683 -10.026 3.013 1.00 0.00 H new ATOM 318 N TRP A 20 0.196 -8.489 0.607 1.00 0.00 N ATOM 319 CA TRP A 20 0.656 -7.169 0.138 1.00 0.00 C ATOM 320 C TRP A 20 0.972 -7.208 -1.374 1.00 0.00 C ATOM 321 O TRP A 20 0.525 -6.345 -2.128 1.00 0.00 O ATOM 322 CB TRP A 20 1.901 -6.690 0.949 1.00 0.00 C ATOM 323 CG TRP A 20 2.326 -5.260 0.636 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.162 -4.837 -0.368 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.915 -4.066 1.327 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.252 -3.469 -0.358 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.512 -2.977 0.678 1.00 0.00 C ATOM 328 CE3 TRP A 20 1.100 -3.818 2.427 1.00 0.00 C ATOM 329 CZ2 TRP A 20 2.314 -1.663 1.090 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.901 -2.515 2.843 1.00 0.00 C ATOM 331 CH2 TRP A 20 1.505 -1.450 2.175 1.00 0.00 C ATOM 0 H TRP A 20 0.935 -9.066 1.008 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.149 -6.453 0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.682 -6.769 2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.736 -7.360 0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.673 -5.486 -1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.787 -2.908 -1.020 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.627 -4.636 2.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.782 -0.839 0.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.269 -2.319 3.697 1.00 0.00 H new ATOM 0 HH2 TRP A 20 1.332 -0.441 2.519 1.00 0.00 H new ATOM 342 N ASN A 21 1.741 -8.230 -1.802 1.00 0.00 N ATOM 343 CA ASN A 21 2.387 -8.248 -3.144 1.00 0.00 C ATOM 344 C ASN A 21 1.551 -9.008 -4.198 1.00 0.00 C ATOM 345 O ASN A 21 1.716 -8.775 -5.403 1.00 0.00 O ATOM 346 CB ASN A 21 3.835 -8.850 -3.067 1.00 0.00 C ATOM 347 CG ASN A 21 3.948 -10.390 -3.060 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.880 -10.945 -3.639 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.037 -11.095 -2.404 1.00 0.00 N ATOM 0 H ASN A 21 1.934 -9.059 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 21 2.450 -7.209 -3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.406 -8.471 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.314 -8.470 -2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.103 -12.112 -2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.270 -10.620 -1.929 1.00 0.00 H new ATOM 356 N ASP A 22 0.685 -9.932 -3.738 1.00 0.00 N ATOM 357 CA ASP A 22 -0.100 -10.821 -4.623 1.00 0.00 C ATOM 358 C ASP A 22 -1.049 -9.975 -5.501 1.00 0.00 C ATOM 359 O ASP A 22 -1.761 -9.133 -4.956 1.00 0.00 O ATOM 360 CB ASP A 22 -0.890 -11.863 -3.783 1.00 0.00 C ATOM 361 CG ASP A 22 -1.607 -12.919 -4.633 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.714 -12.645 -5.136 1.00 0.00 O ATOM 363 OD2 ASP A 22 -1.061 -14.026 -4.801 1.00 0.00 O ATOM 0 H ASP A 22 0.509 -10.085 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 22 0.579 -11.369 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.203 -12.363 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.625 -11.341 -3.170 1.00 0.00 H new ATOM 368 N PRO A 23 -1.065 -10.174 -6.864 1.00 0.00 N ATOM 369 CA PRO A 23 -1.812 -9.291 -7.799 1.00 0.00 C ATOM 370 C PRO A 23 -3.313 -9.154 -7.453 1.00 0.00 C ATOM 371 O PRO A 23 -3.885 -8.063 -7.583 1.00 0.00 O ATOM 372 CB PRO A 23 -1.591 -9.958 -9.191 1.00 0.00 C ATOM 373 CG PRO A 23 -1.151 -11.360 -8.887 1.00 0.00 C ATOM 374 CD PRO A 23 -0.359 -11.259 -7.608 1.00 0.00 C ATOM 0 HA PRO A 23 -1.452 -8.263 -7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.507 -9.952 -9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.836 -9.424 -9.769 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.007 -12.024 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.543 -11.766 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.364 -12.198 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.684 -11.006 -7.798 1.00 0.00 H new ATOM 382 N ASP A 24 -3.918 -10.257 -6.979 1.00 0.00 N ATOM 383 CA ASP A 24 -5.351 -10.316 -6.618 1.00 0.00 C ATOM 384 C ASP A 24 -5.686 -9.372 -5.452 1.00 0.00 C ATOM 385 O ASP A 24 -6.642 -8.589 -5.530 1.00 0.00 O ATOM 386 CB ASP A 24 -5.748 -11.772 -6.244 1.00 0.00 C ATOM 387 CG ASP A 24 -5.684 -12.747 -7.435 1.00 0.00 C ATOM 388 OD1 ASP A 24 -4.565 -13.068 -7.904 1.00 0.00 O ATOM 389 OD2 ASP A 24 -6.755 -13.189 -7.915 1.00 0.00 O ATOM 0 H ASP A 24 -3.427 -11.139 -6.834 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.922 -9.991 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.087 -12.130 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.759 -11.772 -5.837 1.00 0.00 H new ATOM 394 N CYS A 25 -4.886 -9.449 -4.376 1.00 0.00 N ATOM 395 CA CYS A 25 -5.127 -8.670 -3.151 1.00 0.00 C ATOM 396 C CYS A 25 -4.775 -7.193 -3.363 1.00 0.00 C ATOM 397 O CYS A 25 -5.590 -6.322 -3.088 1.00 0.00 O ATOM 398 CB CYS A 25 -4.323 -9.264 -1.985 1.00 0.00 C ATOM 399 SG CYS A 25 -2.565 -9.442 -2.307 1.00 0.00 S ATOM 0 H CYS A 25 -4.061 -10.047 -4.330 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.188 -8.725 -2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.457 -8.630 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.735 -10.242 -1.737 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.355 -9.423 -3.590 1.00 0.00 H new ATOM 405 N ILE A 26 -3.555 -6.926 -3.852 1.00 0.00 N ATOM 406 CA ILE A 26 -3.041 -5.553 -4.083 1.00 0.00 C ATOM 407 C ILE A 26 -3.940 -4.729 -5.052 1.00 0.00 C ATOM 408 O ILE A 26 -3.987 -3.497 -4.969 1.00 0.00 O ATOM 409 CB ILE A 26 -1.546 -5.629 -4.591 1.00 0.00 C ATOM 410 CG1 ILE A 26 -0.791 -4.268 -4.417 1.00 0.00 C ATOM 411 CG2 ILE A 26 -1.468 -6.120 -6.054 1.00 0.00 C ATOM 412 CD1 ILE A 26 0.673 -4.298 -4.840 1.00 0.00 C ATOM 0 H ILE A 26 -2.888 -7.656 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.068 -5.018 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.041 -6.362 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.308 -3.504 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.848 -3.967 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.425 -6.160 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.908 -7.115 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.016 -5.432 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.117 -3.314 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.209 -5.036 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.742 -4.565 -5.894 1.00 0.00 H new ATOM 424 N ALA A 27 -4.647 -5.427 -5.967 1.00 0.00 N ATOM 425 CA ALA A 27 -5.646 -4.799 -6.867 1.00 0.00 C ATOM 426 C ALA A 27 -6.974 -4.534 -6.127 1.00 0.00 C ATOM 427 O ALA A 27 -7.698 -3.582 -6.439 1.00 0.00 O ATOM 428 CB ALA A 27 -5.892 -5.691 -8.093 1.00 0.00 C ATOM 0 H ALA A 27 -4.545 -6.433 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.246 -3.841 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.627 -5.219 -8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.958 -5.827 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.266 -6.662 -7.768 1.00 0.00 H new ATOM 434 N ARG A 28 -7.275 -5.403 -5.150 1.00 0.00 N ATOM 435 CA ARG A 28 -8.533 -5.373 -4.382 1.00 0.00 C ATOM 436 C ARG A 28 -8.524 -4.212 -3.359 1.00 0.00 C ATOM 437 O ARG A 28 -9.392 -3.329 -3.406 1.00 0.00 O ATOM 438 CB ARG A 28 -8.730 -6.741 -3.680 1.00 0.00 C ATOM 439 CG ARG A 28 -10.115 -6.964 -3.044 1.00 0.00 C ATOM 440 CD ARG A 28 -10.275 -8.385 -2.481 1.00 0.00 C ATOM 441 NE ARG A 28 -10.001 -9.415 -3.507 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.031 -10.744 -3.312 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.329 -11.252 -2.120 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.760 -11.561 -4.317 1.00 0.00 N ATOM 0 H ARG A 28 -6.647 -6.155 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.369 -5.199 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.551 -7.533 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.972 -6.844 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.266 -6.239 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.889 -6.782 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.597 -8.521 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.288 -8.513 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.769 -9.087 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.539 -10.631 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.348 -12.263 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.529 -11.181 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.782 -12.571 -4.174 1.00 0.00 H new ATOM 458 N TRP A 29 -7.532 -4.209 -2.439 1.00 0.00 N ATOM 459 CA TRP A 29 -7.312 -3.087 -1.505 1.00 0.00 C ATOM 460 C TRP A 29 -6.392 -2.054 -2.193 1.00 0.00 C ATOM 461 O TRP A 29 -5.320 -2.414 -2.690 1.00 0.00 O ATOM 462 CB TRP A 29 -6.748 -3.571 -0.120 1.00 0.00 C ATOM 463 CG TRP A 29 -5.382 -4.242 -0.144 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.120 -5.583 -0.202 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.093 -3.595 -0.083 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.768 -5.798 -0.253 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.119 -4.598 -0.173 1.00 0.00 C ATOM 468 CE3 TRP A 29 -3.674 -2.262 0.019 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -1.762 -4.317 -0.166 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -2.323 -1.984 0.026 1.00 0.00 C ATOM 471 CH2 TRP A 29 -1.381 -3.008 -0.069 1.00 0.00 C ATOM 0 H TRP A 29 -6.870 -4.976 -2.326 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.266 -2.614 -1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.695 -2.710 0.547 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.464 -4.268 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.870 -6.360 -0.207 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.317 -6.709 -0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.398 -1.464 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.029 -5.107 -0.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.990 -0.960 0.106 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.329 -2.762 -0.066 1.00 0.00 H new ATOM 482 N ASN A 30 -6.876 -0.804 -2.280 1.00 0.00 N ATOM 483 CA ASN A 30 -6.167 0.350 -2.897 1.00 0.00 C ATOM 484 C ASN A 30 -7.116 1.556 -2.940 1.00 0.00 C ATOM 485 O ASN A 30 -6.687 2.702 -2.798 1.00 0.00 O ATOM 486 CB ASN A 30 -5.636 0.075 -4.345 1.00 0.00 C ATOM 487 CG ASN A 30 -6.725 -0.163 -5.398 1.00 0.00 C ATOM 488 OD1 ASN A 30 -6.697 0.422 -6.473 1.00 0.00 O ATOM 489 ND2 ASN A 30 -7.675 -1.042 -5.113 1.00 0.00 N ATOM 0 H ASN A 30 -7.795 -0.552 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.293 0.541 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.026 0.922 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.982 -0.796 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.405 -1.244 -5.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.677 -1.517 -4.210 1.00 0.00 H new ATOM 496 N ALA A 31 -8.412 1.263 -3.161 1.00 0.00 N ATOM 497 CA ALA A 31 -9.460 2.274 -3.331 1.00 0.00 C ATOM 498 C ALA A 31 -9.922 2.809 -1.970 1.00 0.00 C ATOM 499 O ALA A 31 -10.138 2.028 -1.040 1.00 0.00 O ATOM 500 CB ALA A 31 -10.636 1.666 -4.114 1.00 0.00 C ATOM 0 H ALA A 31 -8.759 0.306 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.059 3.115 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.416 2.417 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.289 1.334 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.038 0.815 -3.564 1.00 0.00 H new ATOM 506 N ALA A 32 -10.099 4.142 -1.879 1.00 0.00 N ATOM 507 CA ALA A 32 -10.542 4.835 -0.645 1.00 0.00 C ATOM 508 C ALA A 32 -12.055 4.623 -0.356 1.00 0.00 C ATOM 509 O ALA A 32 -12.569 5.095 0.667 1.00 0.00 O ATOM 510 CB ALA A 32 -10.203 6.337 -0.742 1.00 0.00 C ATOM 0 H ALA A 32 -9.939 4.775 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.003 4.397 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.530 6.843 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.126 6.460 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.713 6.770 -1.602 1.00 0.00 H new ATOM 516 N SER A 33 -12.751 3.905 -1.258 1.00 0.00 N ATOM 517 CA SER A 33 -14.173 3.555 -1.119 1.00 0.00 C ATOM 518 C SER A 33 -14.410 2.146 -1.685 1.00 0.00 C ATOM 519 O SER A 33 -13.683 1.694 -2.576 1.00 0.00 O ATOM 520 CB SER A 33 -15.070 4.579 -1.853 1.00 0.00 C ATOM 521 OG SER A 33 -16.448 4.250 -1.720 1.00 0.00 O ATOM 0 H SER A 33 -12.332 3.547 -2.117 1.00 0.00 H new ATOM 0 HA SER A 33 -14.435 3.574 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.892 5.576 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.802 4.609 -2.909 1.00 0.00 H new ATOM 0 HG SER A 33 -16.990 4.916 -2.192 1.00 0.00 H new ATOM 527 N SER A 34 -15.456 1.475 -1.168 1.00 0.00 N ATOM 528 CA SER A 34 -15.854 0.121 -1.606 1.00 0.00 C ATOM 529 C SER A 34 -16.730 0.182 -2.875 1.00 0.00 C ATOM 530 O SER A 34 -16.932 -0.833 -3.548 1.00 0.00 O ATOM 531 CB SER A 34 -16.596 -0.591 -0.461 1.00 0.00 C ATOM 532 OG SER A 34 -15.779 -0.649 0.697 1.00 0.00 O ATOM 0 H SER A 34 -16.051 1.856 -0.433 1.00 0.00 H new ATOM 0 HA SER A 34 -14.957 -0.446 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.522 -0.062 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.872 -1.599 -0.770 1.00 0.00 H new ATOM 0 HG SER A 34 -16.264 -1.103 1.417 1.00 0.00 H new ATOM 538 N ASP A 35 -17.234 1.391 -3.195 1.00 0.00 N ATOM 539 CA ASP A 35 -17.995 1.657 -4.435 1.00 0.00 C ATOM 540 C ASP A 35 -17.054 1.905 -5.624 1.00 0.00 C ATOM 541 O ASP A 35 -17.521 2.057 -6.744 1.00 0.00 O ATOM 542 CB ASP A 35 -18.946 2.867 -4.242 1.00 0.00 C ATOM 543 CG ASP A 35 -19.987 2.626 -3.140 1.00 0.00 C ATOM 544 OD1 ASP A 35 -21.029 1.993 -3.421 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.752 3.031 -1.982 1.00 0.00 O ATOM 0 H ASP A 35 -17.125 2.213 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.592 0.772 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.358 3.751 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.458 3.076 -5.181 1.00 0.00 H new ATOM 550 N TRP A 36 -15.733 1.932 -5.377 1.00 0.00 N ATOM 551 CA TRP A 36 -14.715 2.117 -6.433 1.00 0.00 C ATOM 552 C TRP A 36 -13.935 0.812 -6.614 1.00 0.00 C ATOM 553 O TRP A 36 -13.218 0.367 -5.717 1.00 0.00 O ATOM 554 CB TRP A 36 -13.769 3.299 -6.088 1.00 0.00 C ATOM 555 CG TRP A 36 -14.353 4.668 -6.382 1.00 0.00 C ATOM 556 CD1 TRP A 36 -15.589 5.141 -6.030 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.705 5.741 -7.085 1.00 0.00 C ATOM 558 NE1 TRP A 36 -15.756 6.419 -6.494 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.613 6.815 -7.136 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.448 5.891 -7.677 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.303 8.021 -7.752 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.140 7.088 -8.289 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.063 8.140 -8.321 1.00 0.00 C ATOM 0 H TRP A 36 -15.338 1.827 -4.442 1.00 0.00 H new ATOM 0 HA TRP A 36 -15.209 2.365 -7.372 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.510 3.246 -5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.842 3.184 -6.649 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.326 4.586 -5.468 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -16.597 6.985 -6.380 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.731 5.084 -7.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -15.013 8.834 -7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.172 7.216 -8.751 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.791 9.066 -8.805 1.00 0.00 H new ATOM 574 N HIS A 37 -14.128 0.204 -7.784 1.00 0.00 N ATOM 575 CA HIS A 37 -13.501 -1.058 -8.181 1.00 0.00 C ATOM 576 C HIS A 37 -12.335 -0.771 -9.144 1.00 0.00 C ATOM 577 O HIS A 37 -12.478 0.021 -10.084 1.00 0.00 O ATOM 578 CB HIS A 37 -14.589 -1.968 -8.840 1.00 0.00 C ATOM 579 CG HIS A 37 -14.100 -2.947 -9.885 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.653 -4.213 -9.599 1.00 0.00 N ATOM 581 CD2 HIS A 37 -14.003 -2.816 -11.228 1.00 0.00 C ATOM 582 CE1 HIS A 37 -13.305 -4.822 -10.715 1.00 0.00 C ATOM 583 NE2 HIS A 37 -13.504 -3.995 -11.718 1.00 0.00 N ATOM 0 H HIS A 37 -14.742 0.586 -8.503 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.092 -1.579 -7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -15.088 -2.531 -8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -15.341 -1.325 -9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -14.269 -1.944 -11.807 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.922 -5.829 -10.793 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -13.318 -4.198 -12.700 1.00 0.00 H new ATOM 592 N THR A 38 -11.195 -1.432 -8.909 1.00 0.00 N ATOM 593 CA THR A 38 -10.042 -1.393 -9.808 1.00 0.00 C ATOM 594 C THR A 38 -10.313 -2.278 -11.036 1.00 0.00 C ATOM 595 O THR A 38 -10.376 -3.506 -10.928 1.00 0.00 O ATOM 596 CB THR A 38 -8.765 -1.851 -9.056 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.634 -1.066 -7.863 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.490 -1.704 -9.901 1.00 0.00 C ATOM 0 H THR A 38 -11.049 -2.012 -8.083 1.00 0.00 H new ATOM 0 HA THR A 38 -9.881 -0.371 -10.151 1.00 0.00 H new ATOM 0 HB THR A 38 -8.875 -2.911 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.721 -0.716 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.629 -2.040 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.579 -2.309 -10.803 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.355 -0.658 -10.178 1.00 0.00 H new ATOM 606 N THR A 39 -10.522 -1.634 -12.188 1.00 0.00 N ATOM 607 CA THR A 39 -10.887 -2.313 -13.444 1.00 0.00 C ATOM 608 C THR A 39 -9.637 -2.708 -14.250 1.00 0.00 C ATOM 609 O THR A 39 -9.681 -3.624 -15.082 1.00 0.00 O ATOM 610 CB THR A 39 -11.852 -1.411 -14.287 1.00 0.00 C ATOM 611 OG1 THR A 39 -12.220 -2.070 -15.508 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.253 -0.024 -14.600 1.00 0.00 C ATOM 0 H THR A 39 -10.443 -0.621 -12.280 1.00 0.00 H new ATOM 0 HA THR A 39 -11.412 -3.235 -13.196 1.00 0.00 H new ATOM 0 HB THR A 39 -12.740 -1.250 -13.675 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.824 -1.494 -16.022 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.966 0.556 -15.186 1.00 0.00 H new ATOM 0 HG22 THR A 39 -11.039 0.499 -13.668 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.331 -0.146 -15.168 1.00 0.00 H new ATOM 620 N GLY A 40 -8.525 -2.006 -13.984 1.00 0.00 N ATOM 621 CA GLY A 40 -7.233 -2.297 -14.603 1.00 0.00 C ATOM 622 C GLY A 40 -6.110 -2.186 -13.587 1.00 0.00 C ATOM 623 O GLY A 40 -6.059 -1.203 -12.849 1.00 0.00 O ATOM 0 H GLY A 40 -8.501 -1.221 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.246 -3.300 -15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.055 -1.604 -15.426 1.00 0.00 H new ATOM 627 N SER A 41 -5.203 -3.178 -13.556 1.00 0.00 N ATOM 628 CA SER A 41 -4.162 -3.282 -12.514 1.00 0.00 C ATOM 629 C SER A 41 -3.012 -4.185 -12.985 1.00 0.00 C ATOM 630 O SER A 41 -3.254 -5.330 -13.384 1.00 0.00 O ATOM 631 CB SER A 41 -4.775 -3.855 -11.217 1.00 0.00 C ATOM 632 OG SER A 41 -3.827 -3.921 -10.171 1.00 0.00 O ATOM 0 H SER A 41 -5.169 -3.927 -14.248 1.00 0.00 H new ATOM 0 HA SER A 41 -3.766 -2.285 -12.320 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.615 -3.234 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.171 -4.852 -11.412 1.00 0.00 H new ATOM 0 HG SER A 41 -3.952 -3.159 -9.568 1.00 0.00 H new ATOM 638 N ARG A 42 -1.772 -3.656 -12.944 1.00 0.00 N ATOM 639 CA ARG A 42 -0.535 -4.411 -13.240 1.00 0.00 C ATOM 640 C ARG A 42 0.543 -4.005 -12.222 1.00 0.00 C ATOM 641 O ARG A 42 0.758 -2.818 -11.998 1.00 0.00 O ATOM 642 CB ARG A 42 -0.031 -4.123 -14.692 1.00 0.00 C ATOM 643 CG ARG A 42 -0.948 -4.655 -15.822 1.00 0.00 C ATOM 644 CD ARG A 42 -1.106 -6.190 -15.780 1.00 0.00 C ATOM 645 NE ARG A 42 -2.040 -6.692 -16.804 1.00 0.00 N ATOM 646 CZ ARG A 42 -2.886 -7.734 -16.647 1.00 0.00 C ATOM 647 NH1 ARG A 42 -2.935 -8.414 -15.506 1.00 0.00 N ATOM 648 NH2 ARG A 42 -3.681 -8.085 -17.640 1.00 0.00 N ATOM 0 H ARG A 42 -1.598 -2.681 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.743 -5.478 -13.166 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.083 -3.046 -14.814 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.959 -4.563 -14.811 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.930 -4.189 -15.738 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.537 -4.361 -16.788 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.131 -6.656 -15.923 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.460 -6.488 -14.793 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.048 -6.214 -17.705 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.327 -8.152 -14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.580 -9.198 -15.407 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.655 -7.571 -18.520 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.322 -8.871 -17.527 1.00 0.00 H new ATOM 662 N VAL A 43 1.200 -4.998 -11.596 1.00 0.00 N ATOM 663 CA VAL A 43 2.274 -4.773 -10.601 1.00 0.00 C ATOM 664 C VAL A 43 3.546 -5.496 -11.054 1.00 0.00 C ATOM 665 O VAL A 43 3.525 -6.713 -11.267 1.00 0.00 O ATOM 666 CB VAL A 43 1.852 -5.278 -9.161 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.004 -5.141 -8.126 1.00 0.00 C ATOM 668 CG2 VAL A 43 0.583 -4.537 -8.683 1.00 0.00 C ATOM 0 H VAL A 43 1.003 -5.985 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 43 2.457 -3.701 -10.535 1.00 0.00 H new ATOM 0 HB VAL A 43 1.628 -6.342 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.665 -5.500 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.859 -5.732 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.297 -4.094 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.305 -4.894 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.781 -3.466 -8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.233 -4.727 -9.380 1.00 0.00 H new ATOM 678 N ASP A 44 4.645 -4.740 -11.222 1.00 0.00 N ATOM 679 CA ASP A 44 5.968 -5.304 -11.508 1.00 0.00 C ATOM 680 C ASP A 44 6.877 -5.039 -10.298 1.00 0.00 C ATOM 681 O ASP A 44 7.612 -4.042 -10.255 1.00 0.00 O ATOM 682 CB ASP A 44 6.540 -4.711 -12.825 1.00 0.00 C ATOM 683 CG ASP A 44 7.889 -5.330 -13.243 1.00 0.00 C ATOM 684 OD1 ASP A 44 7.928 -6.537 -13.575 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.912 -4.614 -13.272 1.00 0.00 O ATOM 0 H ASP A 44 4.637 -3.722 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 44 5.902 -6.381 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.816 -4.861 -13.626 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.664 -3.635 -12.706 1.00 0.00 H new ATOM 690 N LEU A 45 6.740 -5.910 -9.280 1.00 0.00 N ATOM 691 CA LEU A 45 7.496 -5.837 -8.020 1.00 0.00 C ATOM 692 C LEU A 45 8.965 -6.261 -8.228 1.00 0.00 C ATOM 693 O LEU A 45 9.317 -7.428 -8.054 1.00 0.00 O ATOM 694 CB LEU A 45 6.818 -6.728 -6.935 1.00 0.00 C ATOM 695 CG LEU A 45 7.507 -6.761 -5.528 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.314 -5.434 -4.767 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.033 -7.972 -4.691 1.00 0.00 C ATOM 0 H LEU A 45 6.090 -6.696 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 45 7.492 -4.802 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.792 -6.385 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.767 -7.749 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 45 8.577 -6.882 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.806 -5.496 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.750 -4.618 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.250 -5.249 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.532 -7.962 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.954 -7.913 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.278 -8.895 -5.216 1.00 0.00 H new ATOM 709 N VAL A 46 9.780 -5.310 -8.703 1.00 0.00 N ATOM 710 CA VAL A 46 11.252 -5.399 -8.715 1.00 0.00 C ATOM 711 C VAL A 46 11.810 -3.995 -8.416 1.00 0.00 C ATOM 712 O VAL A 46 11.070 -3.003 -8.491 1.00 0.00 O ATOM 713 CB VAL A 46 11.852 -5.928 -10.087 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.405 -7.376 -10.408 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.519 -4.974 -11.257 1.00 0.00 C ATOM 0 H VAL A 46 9.430 -4.437 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 46 11.546 -6.128 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 46 12.935 -5.947 -9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.842 -7.690 -11.356 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.740 -8.044 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.318 -7.414 -10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.945 -5.367 -12.180 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.437 -4.892 -11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.939 -3.989 -11.054 1.00 0.00 H new ATOM 725 N VAL A 47 13.102 -3.916 -8.061 1.00 0.00 N ATOM 726 CA VAL A 47 13.791 -2.625 -7.873 1.00 0.00 C ATOM 727 C VAL A 47 13.955 -1.952 -9.252 1.00 0.00 C ATOM 728 O VAL A 47 14.789 -2.366 -10.061 1.00 0.00 O ATOM 729 CB VAL A 47 15.198 -2.802 -7.178 1.00 0.00 C ATOM 730 CG1 VAL A 47 15.914 -1.439 -6.976 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.059 -3.560 -5.838 1.00 0.00 C ATOM 0 H VAL A 47 13.693 -4.731 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 47 13.189 -2.000 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 47 15.820 -3.400 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.878 -1.602 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.067 -0.962 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.300 -0.795 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.041 -3.670 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.406 -3.000 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.632 -4.546 -6.020 1.00 0.00 H new ATOM 741 N GLY A 48 13.111 -0.947 -9.514 1.00 0.00 N ATOM 742 CA GLY A 48 13.078 -0.246 -10.801 1.00 0.00 C ATOM 743 C GLY A 48 11.766 -0.469 -11.535 1.00 0.00 C ATOM 744 O GLY A 48 11.440 0.284 -12.455 1.00 0.00 O ATOM 0 H GLY A 48 12.432 -0.597 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.225 0.821 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.905 -0.590 -11.423 1.00 0.00 H new ATOM 748 N GLY A 49 11.018 -1.511 -11.129 1.00 0.00 N ATOM 749 CA GLY A 49 9.690 -1.792 -11.678 1.00 0.00 C ATOM 750 C GLY A 49 8.621 -0.893 -11.087 1.00 0.00 C ATOM 751 O GLY A 49 8.851 -0.255 -10.064 1.00 0.00 O ATOM 0 H GLY A 49 11.319 -2.175 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.712 -1.664 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.433 -2.834 -11.486 1.00 0.00 H new ATOM 755 N ARG A 50 7.447 -0.848 -11.722 1.00 0.00 N ATOM 756 CA ARG A 50 6.344 0.057 -11.327 1.00 0.00 C ATOM 757 C ARG A 50 5.038 -0.736 -11.200 1.00 0.00 C ATOM 758 O ARG A 50 4.850 -1.756 -11.879 1.00 0.00 O ATOM 759 CB ARG A 50 6.216 1.207 -12.378 1.00 0.00 C ATOM 760 CG ARG A 50 5.167 2.315 -12.081 1.00 0.00 C ATOM 761 CD ARG A 50 5.132 3.408 -13.176 1.00 0.00 C ATOM 762 NE ARG A 50 4.222 4.518 -12.827 1.00 0.00 N ATOM 763 CZ ARG A 50 3.845 5.516 -13.651 1.00 0.00 C ATOM 764 NH1 ARG A 50 4.280 5.578 -14.909 1.00 0.00 N ATOM 765 NH2 ARG A 50 3.008 6.439 -13.200 1.00 0.00 N ATOM 0 H ARG A 50 7.226 -1.435 -12.526 1.00 0.00 H new ATOM 0 HA ARG A 50 6.558 0.503 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.192 1.682 -12.482 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.974 0.760 -13.342 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.180 1.862 -11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.393 2.776 -11.119 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.138 3.799 -13.329 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.816 2.964 -14.120 1.00 0.00 H new ATOM 0 HE ARG A 50 3.846 4.530 -11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.911 4.861 -15.266 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.982 6.342 -15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.659 6.387 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.712 7.201 -13.810 1.00 0.00 H new ATOM 779 N PHE A 51 4.149 -0.276 -10.306 1.00 0.00 N ATOM 780 CA PHE A 51 2.786 -0.809 -10.177 1.00 0.00 C ATOM 781 C PHE A 51 1.780 0.265 -10.591 1.00 0.00 C ATOM 782 O PHE A 51 2.108 1.456 -10.621 1.00 0.00 O ATOM 783 CB PHE A 51 2.496 -1.316 -8.730 1.00 0.00 C ATOM 784 CG PHE A 51 2.350 -0.246 -7.629 1.00 0.00 C ATOM 785 CD1 PHE A 51 3.455 0.227 -6.936 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.100 0.264 -7.274 1.00 0.00 C ATOM 787 CE1 PHE A 51 3.327 1.168 -5.937 1.00 0.00 C ATOM 788 CE2 PHE A 51 0.970 1.203 -6.271 1.00 0.00 C ATOM 789 CZ PHE A 51 2.085 1.659 -5.603 1.00 0.00 C ATOM 0 H PHE A 51 4.357 0.478 -9.651 1.00 0.00 H new ATOM 0 HA PHE A 51 2.689 -1.670 -10.838 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.579 -1.904 -8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.300 -1.992 -8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.436 -0.150 -7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.219 -0.082 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.204 1.521 -5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.007 1.581 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.985 2.398 -4.821 1.00 0.00 H new ATOM 799 N CYS A 52 0.561 -0.174 -10.894 1.00 0.00 N ATOM 800 CA CYS A 52 -0.547 0.696 -11.286 1.00 0.00 C ATOM 801 C CYS A 52 -1.856 0.037 -10.855 1.00 0.00 C ATOM 802 O CYS A 52 -2.036 -1.172 -11.038 1.00 0.00 O ATOM 803 CB CYS A 52 -0.538 0.910 -12.813 1.00 0.00 C ATOM 804 SG CYS A 52 -0.624 -0.621 -13.771 1.00 0.00 S ATOM 0 H CYS A 52 0.310 -1.162 -10.874 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.445 1.668 -10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.381 1.545 -13.085 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.369 1.449 -13.089 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.029 -1.575 -13.118 1.00 0.00 H new ATOM 810 N HIS A 53 -2.744 0.819 -10.229 1.00 0.00 N ATOM 811 CA HIS A 53 -4.092 0.371 -9.874 1.00 0.00 C ATOM 812 C HIS A 53 -5.084 1.429 -10.348 1.00 0.00 C ATOM 813 O HIS A 53 -5.352 2.400 -9.630 1.00 0.00 O ATOM 814 CB HIS A 53 -4.237 0.144 -8.343 1.00 0.00 C ATOM 815 CG HIS A 53 -3.258 -0.825 -7.752 1.00 0.00 C ATOM 816 ND1 HIS A 53 -3.221 -2.144 -8.103 1.00 0.00 N ATOM 817 CD2 HIS A 53 -2.247 -0.643 -6.873 1.00 0.00 C ATOM 818 CE1 HIS A 53 -2.237 -2.738 -7.473 1.00 0.00 C ATOM 819 NE2 HIS A 53 -1.627 -1.855 -6.711 1.00 0.00 N ATOM 0 H HIS A 53 -2.546 1.781 -9.955 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.291 -0.585 -10.358 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.127 1.103 -7.837 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.247 -0.211 -8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.978 0.284 -6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.971 -3.781 -7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.829 -2.041 -6.103 1.00 0.00 H new ATOM 828 N HIS A 54 -5.582 1.275 -11.584 1.00 0.00 N ATOM 829 CA HIS A 54 -6.615 2.163 -12.117 1.00 0.00 C ATOM 830 C HIS A 54 -7.958 1.780 -11.482 1.00 0.00 C ATOM 831 O HIS A 54 -8.683 0.896 -11.975 1.00 0.00 O ATOM 832 CB HIS A 54 -6.682 2.111 -13.663 1.00 0.00 C ATOM 833 CG HIS A 54 -7.626 3.130 -14.272 1.00 0.00 C ATOM 834 ND1 HIS A 54 -7.213 4.369 -14.721 1.00 0.00 N ATOM 835 CD2 HIS A 54 -8.967 3.094 -14.489 1.00 0.00 C ATOM 836 CE1 HIS A 54 -8.246 5.039 -15.183 1.00 0.00 C ATOM 837 NE2 HIS A 54 -9.318 4.289 -15.053 1.00 0.00 N ATOM 0 H HIS A 54 -5.284 0.543 -12.229 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.369 3.194 -11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.682 2.271 -14.066 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.994 1.113 -13.970 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.253 4.712 -14.698 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.632 2.274 -14.259 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.218 6.036 -15.598 1.00 0.00 H new ATOM 846 N MET A 55 -8.221 2.409 -10.336 1.00 0.00 N ATOM 847 CA MET A 55 -9.508 2.321 -9.658 1.00 0.00 C ATOM 848 C MET A 55 -10.486 3.250 -10.374 1.00 0.00 C ATOM 849 O MET A 55 -10.078 4.238 -11.000 1.00 0.00 O ATOM 850 CB MET A 55 -9.364 2.710 -8.160 1.00 0.00 C ATOM 851 CG MET A 55 -9.054 4.193 -7.902 1.00 0.00 C ATOM 852 SD MET A 55 -8.725 4.559 -6.169 1.00 0.00 S ATOM 853 CE MET A 55 -7.162 3.725 -5.908 1.00 0.00 C ATOM 0 H MET A 55 -7.541 2.996 -9.852 1.00 0.00 H new ATOM 0 HA MET A 55 -9.881 1.298 -9.691 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.288 2.452 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.572 2.106 -7.718 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.190 4.486 -8.499 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.895 4.798 -8.241 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.547 4.311 -5.225 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.343 2.739 -5.479 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.644 3.616 -6.861 1.00 0.00 H new ATOM 863 N ALA A 56 -11.761 2.905 -10.316 1.00 0.00 N ATOM 864 CA ALA A 56 -12.823 3.662 -10.961 1.00 0.00 C ATOM 865 C ALA A 56 -14.130 3.362 -10.253 1.00 0.00 C ATOM 866 O ALA A 56 -14.326 2.248 -9.755 1.00 0.00 O ATOM 867 CB ALA A 56 -12.911 3.321 -12.462 1.00 0.00 C ATOM 0 H ALA A 56 -12.093 2.082 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.608 4.728 -10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.713 3.900 -12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.965 3.564 -12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.118 2.258 -12.582 1.00 0.00 H new ATOM 873 N ALA A 57 -14.994 4.374 -10.186 1.00 0.00 N ATOM 874 CA ALA A 57 -16.359 4.250 -9.682 1.00 0.00 C ATOM 875 C ALA A 57 -17.087 3.113 -10.423 1.00 0.00 C ATOM 876 O ALA A 57 -17.119 3.092 -11.654 1.00 0.00 O ATOM 877 CB ALA A 57 -17.080 5.597 -9.857 1.00 0.00 C ATOM 0 H ALA A 57 -14.759 5.320 -10.486 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.351 3.999 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.101 5.515 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.550 6.369 -9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.101 5.864 -10.914 1.00 0.00 H new ATOM 883 N LYS A 58 -17.624 2.149 -9.663 1.00 0.00 N ATOM 884 CA LYS A 58 -18.303 0.965 -10.229 1.00 0.00 C ATOM 885 C LYS A 58 -19.592 1.394 -10.968 1.00 0.00 C ATOM 886 O LYS A 58 -20.090 0.675 -11.837 1.00 0.00 O ATOM 887 CB LYS A 58 -18.605 -0.075 -9.102 1.00 0.00 C ATOM 888 CG LYS A 58 -19.817 0.262 -8.204 1.00 0.00 C ATOM 889 CD LYS A 58 -19.968 -0.675 -6.980 1.00 0.00 C ATOM 890 CE LYS A 58 -21.341 -0.536 -6.302 1.00 0.00 C ATOM 891 NZ LYS A 58 -21.683 0.870 -5.967 1.00 0.00 N ATOM 0 H LYS A 58 -17.603 2.163 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.646 0.486 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.774 -1.048 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.721 -0.171 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.723 1.290 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.726 0.211 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.825 -1.708 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.184 -0.452 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.108 -0.944 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.352 -1.134 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.683 0.927 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.085 1.195 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.521 1.474 -6.798 1.00 0.00 H new ATOM 905 N ASP A 59 -20.098 2.591 -10.618 1.00 0.00 N ATOM 906 CA ASP A 59 -21.326 3.163 -11.193 1.00 0.00 C ATOM 907 C ASP A 59 -20.995 4.233 -12.262 1.00 0.00 C ATOM 908 O ASP A 59 -21.784 4.450 -13.191 1.00 0.00 O ATOM 909 CB ASP A 59 -22.185 3.815 -10.067 1.00 0.00 C ATOM 910 CG ASP A 59 -22.356 2.922 -8.817 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.197 2.001 -8.825 1.00 0.00 O ATOM 912 OD2 ASP A 59 -21.623 3.124 -7.820 1.00 0.00 O ATOM 0 H ASP A 59 -19.660 3.193 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.884 2.355 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.723 4.756 -9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -23.170 4.056 -10.467 1.00 0.00 H new ATOM 917 N GLY A 60 -19.806 4.880 -12.142 1.00 0.00 N ATOM 918 CA GLY A 60 -19.472 6.084 -12.940 1.00 0.00 C ATOM 919 C GLY A 60 -18.060 6.073 -13.522 1.00 0.00 C ATOM 920 O GLY A 60 -17.194 5.345 -13.054 1.00 0.00 O ATOM 0 H GLY A 60 -19.067 4.587 -11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -20.189 6.177 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.588 6.967 -12.312 1.00 0.00 H new ATOM 924 N SER A 61 -17.824 6.924 -14.535 1.00 0.00 N ATOM 925 CA SER A 61 -16.547 6.969 -15.294 1.00 0.00 C ATOM 926 C SER A 61 -15.383 7.622 -14.507 1.00 0.00 C ATOM 927 O SER A 61 -14.234 7.559 -14.958 1.00 0.00 O ATOM 928 CB SER A 61 -16.773 7.703 -16.639 1.00 0.00 C ATOM 929 OG SER A 61 -17.318 9.004 -16.441 1.00 0.00 O ATOM 0 H SER A 61 -18.511 7.605 -14.857 1.00 0.00 H new ATOM 0 HA SER A 61 -16.244 5.937 -15.473 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.827 7.782 -17.175 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.446 7.117 -17.265 1.00 0.00 H new ATOM 0 HG SER A 61 -17.447 9.440 -17.309 1.00 0.00 H new ATOM 935 N ALA A 62 -15.689 8.246 -13.346 1.00 0.00 N ATOM 936 CA ALA A 62 -14.677 8.872 -12.463 1.00 0.00 C ATOM 937 C ALA A 62 -13.657 7.823 -11.972 1.00 0.00 C ATOM 938 O ALA A 62 -14.049 6.831 -11.367 1.00 0.00 O ATOM 939 CB ALA A 62 -15.366 9.559 -11.270 1.00 0.00 C ATOM 0 H ALA A 62 -16.643 8.330 -12.995 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.137 9.626 -13.035 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.612 10.015 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.045 10.329 -11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.929 8.820 -10.700 1.00 0.00 H new ATOM 945 N GLY A 63 -12.354 8.063 -12.226 1.00 0.00 N ATOM 946 CA GLY A 63 -11.308 7.070 -11.946 1.00 0.00 C ATOM 947 C GLY A 63 -9.982 7.691 -11.522 1.00 0.00 C ATOM 948 O GLY A 63 -9.636 8.781 -11.977 1.00 0.00 O ATOM 0 H GLY A 63 -12.006 8.935 -12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.655 6.400 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.148 6.461 -12.836 1.00 0.00 H new ATOM 952 N PHE A 64 -9.250 6.986 -10.647 1.00 0.00 N ATOM 953 CA PHE A 64 -7.931 7.406 -10.140 1.00 0.00 C ATOM 954 C PHE A 64 -6.892 6.296 -10.409 1.00 0.00 C ATOM 955 O PHE A 64 -7.245 5.117 -10.539 1.00 0.00 O ATOM 956 CB PHE A 64 -8.042 7.729 -8.622 1.00 0.00 C ATOM 957 CG PHE A 64 -6.718 8.105 -7.931 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.096 9.325 -8.189 1.00 0.00 C ATOM 959 CD2 PHE A 64 -6.092 7.228 -7.033 1.00 0.00 C ATOM 960 CE1 PHE A 64 -4.895 9.660 -7.578 1.00 0.00 C ATOM 961 CE2 PHE A 64 -4.895 7.567 -6.421 1.00 0.00 C ATOM 962 CZ PHE A 64 -4.296 8.781 -6.697 1.00 0.00 C ATOM 0 H PHE A 64 -9.561 6.093 -10.264 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.600 8.306 -10.657 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.746 8.551 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.465 6.863 -8.113 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.555 10.021 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.549 6.274 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.428 10.610 -7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.430 6.881 -5.728 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.361 9.042 -6.225 1.00 0.00 H new ATOM 972 N ASP A 65 -5.611 6.690 -10.493 1.00 0.00 N ATOM 973 CA ASP A 65 -4.486 5.763 -10.708 1.00 0.00 C ATOM 974 C ASP A 65 -3.577 5.763 -9.471 1.00 0.00 C ATOM 975 O ASP A 65 -2.880 6.746 -9.191 1.00 0.00 O ATOM 976 CB ASP A 65 -3.692 6.157 -11.981 1.00 0.00 C ATOM 977 CG ASP A 65 -4.487 5.923 -13.282 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.222 6.832 -13.732 1.00 0.00 O ATOM 979 OD2 ASP A 65 -4.393 4.815 -13.859 1.00 0.00 O ATOM 0 H ASP A 65 -5.324 7.666 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.874 4.756 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.411 7.208 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.767 5.582 -12.018 1.00 0.00 H new ATOM 984 N PHE A 66 -3.616 4.650 -8.728 1.00 0.00 N ATOM 985 CA PHE A 66 -2.782 4.425 -7.539 1.00 0.00 C ATOM 986 C PHE A 66 -1.509 3.713 -8.031 1.00 0.00 C ATOM 987 O PHE A 66 -1.480 2.478 -8.154 1.00 0.00 O ATOM 988 CB PHE A 66 -3.578 3.577 -6.504 1.00 0.00 C ATOM 989 CG PHE A 66 -2.989 3.512 -5.090 1.00 0.00 C ATOM 990 CD1 PHE A 66 -3.270 4.510 -4.157 1.00 0.00 C ATOM 991 CD2 PHE A 66 -2.185 2.448 -4.688 1.00 0.00 C ATOM 992 CE1 PHE A 66 -2.764 4.444 -2.872 1.00 0.00 C ATOM 993 CE2 PHE A 66 -1.676 2.381 -3.404 1.00 0.00 C ATOM 994 CZ PHE A 66 -1.968 3.380 -2.494 1.00 0.00 C ATOM 0 H PHE A 66 -4.237 3.868 -8.938 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.509 5.352 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.589 3.979 -6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.664 2.560 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.891 5.346 -4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.955 1.661 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.991 5.226 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.051 1.550 -3.113 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.575 3.329 -1.490 1.00 0.00 H new ATOM 1004 N THR A 67 -0.495 4.513 -8.381 1.00 0.00 N ATOM 1005 CA THR A 67 0.700 4.048 -9.109 1.00 0.00 C ATOM 1006 C THR A 67 1.975 4.504 -8.393 1.00 0.00 C ATOM 1007 O THR A 67 1.970 5.528 -7.716 1.00 0.00 O ATOM 1008 CB THR A 67 0.682 4.575 -10.589 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.885 4.195 -11.275 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.509 6.103 -10.672 1.00 0.00 C ATOM 0 H THR A 67 -0.477 5.510 -8.167 1.00 0.00 H new ATOM 0 HA THR A 67 0.688 2.958 -9.131 1.00 0.00 H new ATOM 0 HB THR A 67 -0.181 4.115 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.058 3.242 -11.128 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.504 6.412 -11.717 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.433 6.388 -10.204 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.334 6.591 -10.153 1.00 0.00 H new ATOM 1018 N GLY A 68 3.061 3.726 -8.561 1.00 0.00 N ATOM 1019 CA GLY A 68 4.347 4.030 -7.929 1.00 0.00 C ATOM 1020 C GLY A 68 5.457 3.119 -8.433 1.00 0.00 C ATOM 1021 O GLY A 68 5.217 1.940 -8.676 1.00 0.00 O ATOM 0 H GLY A 68 3.067 2.881 -9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.612 5.069 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.254 3.925 -6.848 1.00 0.00 H new ATOM 1025 N THR A 69 6.668 3.660 -8.608 1.00 0.00 N ATOM 1026 CA THR A 69 7.835 2.876 -9.030 1.00 0.00 C ATOM 1027 C THR A 69 8.646 2.465 -7.791 1.00 0.00 C ATOM 1028 O THR A 69 9.062 3.330 -7.011 1.00 0.00 O ATOM 1029 CB THR A 69 8.720 3.707 -10.015 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.890 4.224 -11.073 1.00 0.00 O ATOM 1031 CG2 THR A 69 9.861 2.862 -10.627 1.00 0.00 C ATOM 0 H THR A 69 6.867 4.650 -8.462 1.00 0.00 H new ATOM 0 HA THR A 69 7.499 1.979 -9.551 1.00 0.00 H new ATOM 0 HB THR A 69 9.177 4.520 -9.450 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.439 4.748 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.449 3.481 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.503 2.486 -9.830 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.437 2.023 -11.178 1.00 0.00 H new ATOM 1039 N PHE A 70 8.866 1.144 -7.626 1.00 0.00 N ATOM 1040 CA PHE A 70 9.616 0.570 -6.500 1.00 0.00 C ATOM 1041 C PHE A 70 11.093 0.985 -6.584 1.00 0.00 C ATOM 1042 O PHE A 70 11.771 0.693 -7.569 1.00 0.00 O ATOM 1043 CB PHE A 70 9.488 -0.975 -6.488 1.00 0.00 C ATOM 1044 CG PHE A 70 8.045 -1.494 -6.515 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.250 -1.464 -5.375 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.488 -2.014 -7.685 1.00 0.00 C ATOM 1047 CE1 PHE A 70 5.951 -1.939 -5.399 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.189 -2.487 -7.708 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.424 -2.452 -6.564 1.00 0.00 C ATOM 0 H PHE A 70 8.522 0.442 -8.281 1.00 0.00 H new ATOM 0 HA PHE A 70 9.195 0.954 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.022 -1.378 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.983 -1.361 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.653 -1.064 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.081 -2.047 -8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.349 -1.908 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.775 -2.884 -8.623 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.411 -2.827 -6.580 1.00 0.00 H new ATOM 1059 N THR A 71 11.559 1.697 -5.558 1.00 0.00 N ATOM 1060 CA THR A 71 12.944 2.174 -5.450 1.00 0.00 C ATOM 1061 C THR A 71 13.820 1.125 -4.750 1.00 0.00 C ATOM 1062 O THR A 71 15.043 1.085 -4.953 1.00 0.00 O ATOM 1063 CB THR A 71 12.982 3.519 -4.671 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.372 3.335 -3.385 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.238 4.633 -5.425 1.00 0.00 C ATOM 0 H THR A 71 10.978 1.965 -4.764 1.00 0.00 H new ATOM 0 HA THR A 71 13.339 2.336 -6.453 1.00 0.00 H new ATOM 0 HB THR A 71 14.024 3.819 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.394 4.180 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.287 5.557 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.704 4.787 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.196 4.346 -5.563 1.00 0.00 H new ATOM 1073 N ARG A 72 13.173 0.286 -3.925 1.00 0.00 N ATOM 1074 CA ARG A 72 13.815 -0.831 -3.219 1.00 0.00 C ATOM 1075 C ARG A 72 12.754 -1.888 -2.867 1.00 0.00 C ATOM 1076 O ARG A 72 11.652 -1.547 -2.433 1.00 0.00 O ATOM 1077 CB ARG A 72 14.530 -0.331 -1.927 1.00 0.00 C ATOM 1078 CG ARG A 72 15.200 -1.438 -1.073 1.00 0.00 C ATOM 1079 CD ARG A 72 15.879 -0.898 0.202 1.00 0.00 C ATOM 1080 NE ARG A 72 16.502 -1.971 1.008 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.253 -1.773 2.110 1.00 0.00 C ATOM 1082 NH1 ARG A 72 17.507 -0.548 2.558 1.00 0.00 N ATOM 1083 NH2 ARG A 72 17.753 -2.815 2.758 1.00 0.00 N ATOM 0 H ARG A 72 12.175 0.367 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 72 14.568 -1.275 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.290 0.397 -2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.802 0.193 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.448 -2.175 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.942 -1.956 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.640 -0.168 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.141 -0.374 0.809 1.00 0.00 H new ATOM 0 HE ARG A 72 16.352 -2.934 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.132 0.263 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.077 -0.419 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.569 -3.760 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.322 -2.672 3.592 1.00 0.00 H new ATOM 1097 N VAL A 73 13.097 -3.165 -3.094 1.00 0.00 N ATOM 1098 CA VAL A 73 12.295 -4.327 -2.682 1.00 0.00 C ATOM 1099 C VAL A 73 13.157 -5.129 -1.702 1.00 0.00 C ATOM 1100 O VAL A 73 14.121 -5.790 -2.106 1.00 0.00 O ATOM 1101 CB VAL A 73 11.848 -5.228 -3.905 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.040 -6.470 -3.439 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.048 -4.393 -4.937 1.00 0.00 C ATOM 0 H VAL A 73 13.956 -3.424 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 73 11.368 -3.988 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 73 12.751 -5.597 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.751 -7.063 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.655 -7.076 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.145 -6.144 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.751 -5.031 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.159 -3.980 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.671 -3.580 -5.308 1.00 0.00 H new ATOM 1113 N GLU A 74 12.848 -4.987 -0.411 1.00 0.00 N ATOM 1114 CA GLU A 74 13.544 -5.666 0.687 1.00 0.00 C ATOM 1115 C GLU A 74 12.560 -6.688 1.299 1.00 0.00 C ATOM 1116 O GLU A 74 12.183 -6.604 2.468 1.00 0.00 O ATOM 1117 CB GLU A 74 14.037 -4.583 1.701 1.00 0.00 C ATOM 1118 CG GLU A 74 14.890 -5.098 2.883 1.00 0.00 C ATOM 1119 CD GLU A 74 16.134 -5.895 2.454 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.932 -5.377 1.636 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.331 -7.034 2.937 1.00 0.00 O ATOM 0 H GLU A 74 12.090 -4.384 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 74 14.427 -6.214 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.620 -3.841 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.165 -4.069 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.206 -4.248 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.269 -5.728 3.519 1.00 0.00 H new ATOM 1128 N ALA A 75 12.139 -7.652 0.459 1.00 0.00 N ATOM 1129 CA ALA A 75 11.067 -8.611 0.786 1.00 0.00 C ATOM 1130 C ALA A 75 11.540 -9.626 1.851 1.00 0.00 C ATOM 1131 O ALA A 75 12.628 -10.181 1.703 1.00 0.00 O ATOM 1132 CB ALA A 75 10.618 -9.342 -0.492 1.00 0.00 C ATOM 0 H ALA A 75 12.535 -7.788 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 75 10.221 -8.062 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.826 -10.050 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.245 -8.616 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.464 -9.879 -0.921 1.00 0.00 H new ATOM 1138 N PRO A 76 10.740 -9.911 2.931 1.00 0.00 N ATOM 1139 CA PRO A 76 9.397 -9.318 3.187 1.00 0.00 C ATOM 1140 C PRO A 76 9.399 -8.148 4.199 1.00 0.00 C ATOM 1141 O PRO A 76 8.328 -7.677 4.592 1.00 0.00 O ATOM 1142 CB PRO A 76 8.671 -10.545 3.775 1.00 0.00 C ATOM 1143 CG PRO A 76 9.709 -11.212 4.635 1.00 0.00 C ATOM 1144 CD PRO A 76 11.066 -10.905 3.995 1.00 0.00 C ATOM 0 HA PRO A 76 8.953 -8.868 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.800 -10.250 4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.316 -11.212 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.667 -10.834 5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.538 -12.287 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.768 -10.497 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.524 -11.802 3.578 1.00 0.00 H new ATOM 1152 N THR A 77 10.595 -7.676 4.594 1.00 0.00 N ATOM 1153 CA THR A 77 10.771 -6.800 5.763 1.00 0.00 C ATOM 1154 C THR A 77 10.537 -5.319 5.443 1.00 0.00 C ATOM 1155 O THR A 77 10.339 -4.531 6.368 1.00 0.00 O ATOM 1156 CB THR A 77 12.196 -6.989 6.366 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.185 -6.694 5.363 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.410 -8.419 6.891 1.00 0.00 C ATOM 0 H THR A 77 11.467 -7.892 4.110 1.00 0.00 H new ATOM 0 HA THR A 77 10.014 -7.094 6.490 1.00 0.00 H new ATOM 0 HB THR A 77 12.296 -6.304 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.542 -5.793 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.415 -8.509 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.678 -8.634 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.288 -9.129 6.073 1.00 0.00 H new ATOM 1166 N ARG A 78 10.554 -4.940 4.151 1.00 0.00 N ATOM 1167 CA ARG A 78 10.454 -3.518 3.753 1.00 0.00 C ATOM 1168 C ARG A 78 10.180 -3.370 2.247 1.00 0.00 C ATOM 1169 O ARG A 78 10.559 -4.226 1.440 1.00 0.00 O ATOM 1170 CB ARG A 78 11.756 -2.761 4.161 1.00 0.00 C ATOM 1171 CG ARG A 78 11.614 -1.229 4.298 1.00 0.00 C ATOM 1172 CD ARG A 78 12.869 -0.569 4.902 1.00 0.00 C ATOM 1173 NE ARG A 78 12.622 0.838 5.226 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.347 1.601 6.059 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.414 1.112 6.696 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.980 2.860 6.255 1.00 0.00 N ATOM 0 H ARG A 78 10.635 -5.590 3.369 1.00 0.00 H new ATOM 0 HA ARG A 78 9.608 -3.074 4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.108 -3.163 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.527 -2.973 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.417 -0.797 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.752 -1.002 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.168 -1.105 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.697 -0.643 4.197 1.00 0.00 H new ATOM 0 HE ARG A 78 11.822 1.281 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.692 0.141 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.951 1.710 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.160 3.233 5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.518 3.456 6.884 1.00 0.00 H new ATOM 1190 N LEU A 79 9.494 -2.276 1.885 1.00 0.00 N ATOM 1191 CA LEU A 79 9.236 -1.911 0.496 1.00 0.00 C ATOM 1192 C LEU A 79 9.263 -0.387 0.348 1.00 0.00 C ATOM 1193 O LEU A 79 8.464 0.318 0.963 1.00 0.00 O ATOM 1194 CB LEU A 79 7.869 -2.459 0.022 1.00 0.00 C ATOM 1195 CG LEU A 79 7.566 -2.264 -1.495 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.641 -2.950 -2.371 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.147 -2.759 -1.843 1.00 0.00 C ATOM 0 H LEU A 79 9.102 -1.618 2.559 1.00 0.00 H new ATOM 0 HA LEU A 79 10.015 -2.353 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.823 -3.524 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.081 -1.974 0.599 1.00 0.00 H new ATOM 0 HG LEU A 79 7.603 -1.197 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.404 -2.798 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.618 -2.518 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.660 -4.018 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.961 -2.612 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.062 -3.819 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.414 -2.197 -1.265 1.00 0.00 H new ATOM 1209 N SER A 80 10.179 0.097 -0.481 1.00 0.00 N ATOM 1210 CA SER A 80 10.331 1.520 -0.786 1.00 0.00 C ATOM 1211 C SER A 80 9.823 1.757 -2.222 1.00 0.00 C ATOM 1212 O SER A 80 10.160 0.980 -3.123 1.00 0.00 O ATOM 1213 CB SER A 80 11.822 1.906 -0.649 1.00 0.00 C ATOM 1214 OG SER A 80 12.377 1.391 0.553 1.00 0.00 O ATOM 0 H SER A 80 10.850 -0.495 -0.970 1.00 0.00 H new ATOM 0 HA SER A 80 9.755 2.138 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.380 1.523 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.922 2.991 -0.663 1.00 0.00 H new ATOM 0 HG SER A 80 11.823 1.666 1.313 1.00 0.00 H new ATOM 1220 N PHE A 81 8.994 2.801 -2.423 1.00 0.00 N ATOM 1221 CA PHE A 81 8.462 3.164 -3.752 1.00 0.00 C ATOM 1222 C PHE A 81 8.030 4.638 -3.784 1.00 0.00 C ATOM 1223 O PHE A 81 7.466 5.142 -2.823 1.00 0.00 O ATOM 1224 CB PHE A 81 7.281 2.230 -4.174 1.00 0.00 C ATOM 1225 CG PHE A 81 6.088 2.178 -3.207 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.076 1.289 -2.132 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.971 3.000 -3.388 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.996 1.223 -1.273 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.887 2.928 -2.531 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.900 2.041 -1.472 1.00 0.00 C ATOM 0 H PHE A 81 8.676 3.414 -1.672 1.00 0.00 H new ATOM 0 HA PHE A 81 9.265 3.026 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.919 2.553 -5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.669 1.219 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.925 0.642 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.954 3.701 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.008 0.531 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.030 3.566 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.055 1.987 -0.801 1.00 0.00 H new ATOM 1240 N VAL A 82 8.280 5.309 -4.919 1.00 0.00 N ATOM 1241 CA VAL A 82 7.904 6.722 -5.132 1.00 0.00 C ATOM 1242 C VAL A 82 6.798 6.776 -6.184 1.00 0.00 C ATOM 1243 O VAL A 82 6.912 6.145 -7.234 1.00 0.00 O ATOM 1244 CB VAL A 82 9.127 7.599 -5.601 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.707 9.069 -5.860 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.285 7.528 -4.579 1.00 0.00 C ATOM 0 H VAL A 82 8.750 4.888 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 82 7.559 7.133 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 82 9.482 7.187 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.575 9.644 -6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.944 9.098 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.306 9.500 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.116 8.142 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.941 7.897 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.616 6.495 -4.475 1.00 0.00 H new ATOM 1256 N MET A 83 5.743 7.544 -5.902 1.00 0.00 N ATOM 1257 CA MET A 83 4.589 7.700 -6.798 1.00 0.00 C ATOM 1258 C MET A 83 4.844 8.867 -7.764 1.00 0.00 C ATOM 1259 O MET A 83 5.646 9.758 -7.457 1.00 0.00 O ATOM 1260 CB MET A 83 3.302 7.932 -5.960 1.00 0.00 C ATOM 1261 CG MET A 83 2.979 6.752 -5.036 1.00 0.00 C ATOM 1262 SD MET A 83 1.321 6.825 -4.322 1.00 0.00 S ATOM 1263 CE MET A 83 1.002 5.089 -3.989 1.00 0.00 C ATOM 0 H MET A 83 5.663 8.081 -5.038 1.00 0.00 H new ATOM 0 HA MET A 83 4.450 6.793 -7.386 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.421 8.835 -5.362 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.461 8.103 -6.632 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.083 5.823 -5.597 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.712 6.722 -4.230 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.064 4.941 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.319 4.490 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.557 4.780 -3.103 1.00 0.00 H new ATOM 1273 N ASP A 84 4.137 8.862 -8.918 1.00 0.00 N ATOM 1274 CA ASP A 84 4.313 9.876 -10.001 1.00 0.00 C ATOM 1275 C ASP A 84 3.986 11.312 -9.528 1.00 0.00 C ATOM 1276 O ASP A 84 4.419 12.295 -10.143 1.00 0.00 O ATOM 1277 CB ASP A 84 3.458 9.497 -11.240 1.00 0.00 C ATOM 1278 CG ASP A 84 3.630 10.478 -12.433 1.00 0.00 C ATOM 1279 OD1 ASP A 84 4.645 10.374 -13.164 1.00 0.00 O ATOM 1280 OD2 ASP A 84 2.759 11.356 -12.638 1.00 0.00 O ATOM 0 H ASP A 84 3.429 8.160 -9.131 1.00 0.00 H new ATOM 0 HA ASP A 84 5.367 9.869 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.727 8.492 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.407 9.468 -10.952 1.00 0.00 H new ATOM 1285 N ASP A 85 3.279 11.429 -8.388 1.00 0.00 N ATOM 1286 CA ASP A 85 2.922 12.730 -7.775 1.00 0.00 C ATOM 1287 C ASP A 85 4.141 13.387 -7.094 1.00 0.00 C ATOM 1288 O ASP A 85 4.036 14.506 -6.591 1.00 0.00 O ATOM 1289 CB ASP A 85 1.801 12.527 -6.733 1.00 0.00 C ATOM 1290 CG ASP A 85 0.518 11.975 -7.355 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -0.306 12.775 -7.845 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.322 10.740 -7.351 1.00 0.00 O ATOM 0 H ASP A 85 2.937 10.625 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 85 2.577 13.391 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.149 11.844 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.585 13.478 -6.246 1.00 0.00 H new ATOM 1297 N GLY A 86 5.289 12.667 -7.084 1.00 0.00 N ATOM 1298 CA GLY A 86 6.505 13.096 -6.388 1.00 0.00 C ATOM 1299 C GLY A 86 6.531 12.630 -4.934 1.00 0.00 C ATOM 1300 O GLY A 86 7.505 12.862 -4.224 1.00 0.00 O ATOM 0 H GLY A 86 5.388 11.772 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.378 12.703 -6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.576 14.183 -6.421 1.00 0.00 H new ATOM 1304 N ARG A 87 5.444 11.970 -4.502 1.00 0.00 N ATOM 1305 CA ARG A 87 5.281 11.474 -3.133 1.00 0.00 C ATOM 1306 C ARG A 87 6.093 10.185 -2.915 1.00 0.00 C ATOM 1307 O ARG A 87 5.722 9.125 -3.428 1.00 0.00 O ATOM 1308 CB ARG A 87 3.776 11.220 -2.845 1.00 0.00 C ATOM 1309 CG ARG A 87 2.892 12.487 -2.866 1.00 0.00 C ATOM 1310 CD ARG A 87 1.410 12.190 -2.529 1.00 0.00 C ATOM 1311 NE ARG A 87 0.709 11.472 -3.618 1.00 0.00 N ATOM 1312 CZ ARG A 87 0.486 10.144 -3.676 1.00 0.00 C ATOM 1313 NH1 ARG A 87 0.912 9.343 -2.704 1.00 0.00 N ATOM 1314 NH2 ARG A 87 -0.137 9.628 -4.721 1.00 0.00 N ATOM 0 H ARG A 87 4.646 11.765 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 87 5.657 12.228 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.393 10.514 -3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.682 10.744 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.285 13.210 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.950 12.949 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.361 11.595 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.893 13.128 -2.326 1.00 0.00 H new ATOM 0 HE ARG A 87 0.363 12.034 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.413 9.732 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.738 8.339 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.447 10.234 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.307 8.623 -4.768 1.00 0.00 H new ATOM 1328 N GLU A 88 7.194 10.291 -2.147 1.00 0.00 N ATOM 1329 CA GLU A 88 8.033 9.140 -1.780 1.00 0.00 C ATOM 1330 C GLU A 88 7.415 8.404 -0.579 1.00 0.00 C ATOM 1331 O GLU A 88 7.163 9.007 0.469 1.00 0.00 O ATOM 1332 CB GLU A 88 9.474 9.593 -1.444 1.00 0.00 C ATOM 1333 CG GLU A 88 10.380 8.462 -0.896 1.00 0.00 C ATOM 1334 CD GLU A 88 11.802 8.927 -0.566 1.00 0.00 C ATOM 1335 OE1 GLU A 88 12.014 9.483 0.539 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.711 8.756 -1.412 1.00 0.00 O ATOM 0 H GLU A 88 7.525 11.177 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 88 8.080 8.461 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.932 10.008 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.429 10.396 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.925 8.045 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.430 7.658 -1.631 1.00 0.00 H new ATOM 1343 N VAL A 89 7.199 7.097 -0.747 1.00 0.00 N ATOM 1344 CA VAL A 89 6.565 6.228 0.260 1.00 0.00 C ATOM 1345 C VAL A 89 7.549 5.111 0.653 1.00 0.00 C ATOM 1346 O VAL A 89 8.354 4.660 -0.169 1.00 0.00 O ATOM 1347 CB VAL A 89 5.229 5.583 -0.289 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.433 4.871 0.843 1.00 0.00 C ATOM 1349 CG2 VAL A 89 4.363 6.638 -1.025 1.00 0.00 C ATOM 0 H VAL A 89 7.462 6.601 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 89 6.313 6.837 1.128 1.00 0.00 H new ATOM 0 HB VAL A 89 5.502 4.818 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.521 4.439 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.045 4.080 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.174 5.594 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.451 6.168 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.105 7.442 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.924 7.047 -1.865 1.00 0.00 H new ATOM 1359 N ASP A 90 7.488 4.697 1.916 1.00 0.00 N ATOM 1360 CA ASP A 90 8.231 3.544 2.437 1.00 0.00 C ATOM 1361 C ASP A 90 7.336 2.780 3.408 1.00 0.00 C ATOM 1362 O ASP A 90 6.614 3.391 4.190 1.00 0.00 O ATOM 1363 CB ASP A 90 9.515 3.998 3.162 1.00 0.00 C ATOM 1364 CG ASP A 90 10.287 2.822 3.783 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.881 2.021 3.028 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.270 2.669 5.026 1.00 0.00 O ATOM 0 H ASP A 90 6.913 5.158 2.621 1.00 0.00 H new ATOM 0 HA ASP A 90 8.520 2.902 1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.161 4.521 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.254 4.711 3.944 1.00 0.00 H new ATOM 1371 N VAL A 91 7.412 1.444 3.361 1.00 0.00 N ATOM 1372 CA VAL A 91 6.593 0.553 4.193 1.00 0.00 C ATOM 1373 C VAL A 91 7.516 -0.468 4.877 1.00 0.00 C ATOM 1374 O VAL A 91 8.173 -1.257 4.213 1.00 0.00 O ATOM 1375 CB VAL A 91 5.492 -0.206 3.350 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.579 -1.057 4.264 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.661 0.777 2.484 1.00 0.00 C ATOM 0 H VAL A 91 8.049 0.947 2.739 1.00 0.00 H new ATOM 0 HA VAL A 91 6.071 1.160 4.933 1.00 0.00 H new ATOM 0 HB VAL A 91 6.008 -0.884 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.831 -1.568 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.181 -1.794 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.080 -0.409 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.914 0.221 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.163 1.500 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.322 1.302 1.794 1.00 0.00 H new ATOM 1387 N GLN A 92 7.544 -0.438 6.205 1.00 0.00 N ATOM 1388 CA GLN A 92 8.325 -1.360 7.037 1.00 0.00 C ATOM 1389 C GLN A 92 7.389 -2.452 7.558 1.00 0.00 C ATOM 1390 O GLN A 92 6.224 -2.203 7.826 1.00 0.00 O ATOM 1391 CB GLN A 92 8.951 -0.598 8.237 1.00 0.00 C ATOM 1392 CG GLN A 92 10.051 0.419 7.858 1.00 0.00 C ATOM 1393 CD GLN A 92 10.603 1.235 9.044 1.00 0.00 C ATOM 1394 OE1 GLN A 92 11.059 2.364 8.872 1.00 0.00 O ATOM 1395 NE2 GLN A 92 10.583 0.676 10.252 1.00 0.00 N ATOM 0 H GLN A 92 7.014 0.242 6.750 1.00 0.00 H new ATOM 0 HA GLN A 92 9.128 -1.799 6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.158 -0.072 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.372 -1.325 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.875 -0.116 7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.651 1.108 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.200 -0.262 10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.950 1.185 11.056 1.00 0.00 H new ATOM 1404 N PHE A 93 7.908 -3.671 7.668 1.00 0.00 N ATOM 1405 CA PHE A 93 7.179 -4.825 8.214 1.00 0.00 C ATOM 1406 C PHE A 93 8.030 -5.361 9.370 1.00 0.00 C ATOM 1407 O PHE A 93 9.057 -6.005 9.140 1.00 0.00 O ATOM 1408 CB PHE A 93 6.966 -5.909 7.118 1.00 0.00 C ATOM 1409 CG PHE A 93 6.188 -5.452 5.872 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.808 -4.679 4.883 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.853 -5.802 5.682 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.117 -4.274 3.758 1.00 0.00 C ATOM 1413 CE2 PHE A 93 4.160 -5.395 4.553 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.793 -4.631 3.594 1.00 0.00 C ATOM 0 H PHE A 93 8.860 -3.895 7.378 1.00 0.00 H new ATOM 0 HA PHE A 93 6.186 -4.541 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.942 -6.275 6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.439 -6.752 7.564 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.843 -4.395 5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.350 -6.400 6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.612 -3.678 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.125 -5.676 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.253 -4.312 2.715 1.00 0.00 H new ATOM 1424 N ALA A 94 7.652 -5.012 10.606 1.00 0.00 N ATOM 1425 CA ALA A 94 8.432 -5.348 11.812 1.00 0.00 C ATOM 1426 C ALA A 94 7.746 -6.475 12.589 1.00 0.00 C ATOM 1427 O ALA A 94 6.673 -6.266 13.142 1.00 0.00 O ATOM 1428 CB ALA A 94 8.607 -4.092 12.688 1.00 0.00 C ATOM 0 H ALA A 94 6.798 -4.489 10.802 1.00 0.00 H new ATOM 0 HA ALA A 94 9.421 -5.699 11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.184 -4.346 13.577 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.133 -3.324 12.121 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.628 -3.717 12.986 1.00 0.00 H new ATOM 1434 N SER A 95 8.367 -7.665 12.612 1.00 0.00 N ATOM 1435 CA SER A 95 7.844 -8.841 13.337 1.00 0.00 C ATOM 1436 C SER A 95 7.759 -8.560 14.855 1.00 0.00 C ATOM 1437 O SER A 95 8.628 -7.889 15.410 1.00 0.00 O ATOM 1438 CB SER A 95 8.754 -10.053 13.051 1.00 0.00 C ATOM 1439 OG SER A 95 8.868 -10.285 11.650 1.00 0.00 O ATOM 0 H SER A 95 9.248 -7.842 12.129 1.00 0.00 H new ATOM 0 HA SER A 95 6.834 -9.059 12.990 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.742 -9.879 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.349 -10.940 13.539 1.00 0.00 H new ATOM 0 HG SER A 95 9.451 -11.057 11.493 1.00 0.00 H new ATOM 1445 N GLU A 96 6.690 -9.048 15.502 1.00 0.00 N ATOM 1446 CA GLU A 96 6.441 -8.857 16.958 1.00 0.00 C ATOM 1447 C GLU A 96 6.235 -10.221 17.637 1.00 0.00 C ATOM 1448 O GLU A 96 5.848 -11.179 16.956 1.00 0.00 O ATOM 1449 CB GLU A 96 5.163 -8.005 17.193 1.00 0.00 C ATOM 1450 CG GLU A 96 5.150 -6.636 16.498 1.00 0.00 C ATOM 1451 CD GLU A 96 3.807 -5.915 16.695 1.00 0.00 C ATOM 1452 OE1 GLU A 96 2.876 -6.133 15.894 1.00 0.00 O ATOM 1453 OE2 GLU A 96 3.666 -5.152 17.673 1.00 0.00 O ATOM 0 H GLU A 96 5.963 -9.591 15.036 1.00 0.00 H new ATOM 0 HA GLU A 96 7.306 -8.345 17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.299 -8.575 16.853 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.041 -7.851 18.265 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.957 -6.019 16.894 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.341 -6.766 15.433 1.00 0.00 H new ATOM 1460 N PRO A 97 6.486 -10.343 18.982 1.00 0.00 N ATOM 1461 CA PRO A 97 5.974 -11.487 19.770 1.00 0.00 C ATOM 1462 C PRO A 97 4.419 -11.466 19.788 1.00 0.00 C ATOM 1463 O PRO A 97 3.799 -10.790 20.615 1.00 0.00 O ATOM 1464 CB PRO A 97 6.606 -11.281 21.178 1.00 0.00 C ATOM 1465 CG PRO A 97 6.957 -9.824 21.239 1.00 0.00 C ATOM 1466 CD PRO A 97 7.311 -9.420 19.821 1.00 0.00 C ATOM 0 HA PRO A 97 6.238 -12.463 19.362 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.905 -11.551 21.968 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.490 -11.905 21.309 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.119 -9.236 21.615 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.795 -9.652 21.914 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.067 -8.375 19.628 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.376 -9.541 19.623 1.00 0.00 H new ATOM 1474 N GLY A 98 3.817 -12.168 18.808 1.00 0.00 N ATOM 1475 CA GLY A 98 2.364 -12.211 18.609 1.00 0.00 C ATOM 1476 C GLY A 98 1.846 -11.101 17.689 1.00 0.00 C ATOM 1477 O GLY A 98 0.840 -10.462 18.007 1.00 0.00 O ATOM 0 H GLY A 98 4.335 -12.725 18.128 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.090 -13.179 18.189 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.869 -12.132 19.577 1.00 0.00 H new ATOM 1481 N GLY A 99 2.542 -10.859 16.554 1.00 0.00 N ATOM 1482 CA GLY A 99 2.073 -9.880 15.554 1.00 0.00 C ATOM 1483 C GLY A 99 3.127 -9.478 14.524 1.00 0.00 C ATOM 1484 O GLY A 99 4.181 -10.110 14.415 1.00 0.00 O ATOM 0 H GLY A 99 3.418 -11.323 16.312 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.212 -10.296 15.031 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.729 -8.985 16.073 1.00 0.00 H new ATOM 1488 N THR A 100 2.788 -8.441 13.731 1.00 0.00 N ATOM 1489 CA THR A 100 3.691 -7.758 12.782 1.00 0.00 C ATOM 1490 C THR A 100 3.249 -6.283 12.673 1.00 0.00 C ATOM 1491 O THR A 100 2.158 -5.988 12.154 1.00 0.00 O ATOM 1492 CB THR A 100 3.683 -8.413 11.352 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.123 -9.772 11.443 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.584 -7.661 10.345 1.00 0.00 C ATOM 0 H THR A 100 1.849 -8.043 13.734 1.00 0.00 H new ATOM 0 HA THR A 100 4.709 -7.845 13.162 1.00 0.00 H new ATOM 0 HB THR A 100 2.658 -8.360 10.984 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.354 -10.372 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.539 -8.157 9.376 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.236 -6.633 10.243 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.612 -7.662 10.706 1.00 0.00 H new ATOM 1502 N TRP A 101 4.076 -5.371 13.204 1.00 0.00 N ATOM 1503 CA TRP A 101 3.823 -3.932 13.147 1.00 0.00 C ATOM 1504 C TRP A 101 4.277 -3.373 11.784 1.00 0.00 C ATOM 1505 O TRP A 101 5.473 -3.135 11.557 1.00 0.00 O ATOM 1506 CB TRP A 101 4.555 -3.211 14.316 1.00 0.00 C ATOM 1507 CG TRP A 101 4.086 -1.800 14.561 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.823 -1.319 14.368 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.854 -0.696 15.072 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.767 -0.006 14.711 1.00 0.00 N ATOM 1511 CE2 TRP A 101 3.993 0.406 15.139 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.182 -0.533 15.470 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.404 1.658 15.590 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.598 0.711 15.915 1.00 0.00 C ATOM 1515 CH2 TRP A 101 5.710 1.793 15.971 1.00 0.00 C ATOM 0 H TRP A 101 4.941 -5.616 13.686 1.00 0.00 H new ATOM 0 HA TRP A 101 2.753 -3.752 13.254 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.418 -3.791 15.229 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.624 -3.195 14.106 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.990 -1.898 13.997 1.00 0.00 H new ATOM 0 HE1 TRP A 101 1.935 0.581 14.657 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.873 -1.362 15.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 3.717 2.490 15.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.624 0.849 16.224 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.064 2.751 16.322 1.00 0.00 H new ATOM 1526 N VAL A 102 3.303 -3.199 10.881 1.00 0.00 N ATOM 1527 CA VAL A 102 3.528 -2.672 9.525 1.00 0.00 C ATOM 1528 C VAL A 102 3.418 -1.137 9.586 1.00 0.00 C ATOM 1529 O VAL A 102 2.505 -0.615 10.214 1.00 0.00 O ATOM 1530 CB VAL A 102 2.481 -3.273 8.508 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.833 -2.903 7.050 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.362 -4.809 8.683 1.00 0.00 C ATOM 0 H VAL A 102 2.326 -3.422 11.072 1.00 0.00 H new ATOM 0 HA VAL A 102 4.518 -2.960 9.172 1.00 0.00 H new ATOM 0 HB VAL A 102 1.510 -2.831 8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.092 -3.333 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.837 -1.819 6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.819 -3.296 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.635 -5.201 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.332 -5.272 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.035 -5.035 9.698 1.00 0.00 H new ATOM 1542 N GLN A 103 4.373 -0.428 8.954 1.00 0.00 N ATOM 1543 CA GLN A 103 4.604 1.009 9.178 1.00 0.00 C ATOM 1544 C GLN A 103 4.791 1.726 7.828 1.00 0.00 C ATOM 1545 O GLN A 103 5.865 1.658 7.231 1.00 0.00 O ATOM 1546 CB GLN A 103 5.903 1.186 10.032 1.00 0.00 C ATOM 1547 CG GLN A 103 5.938 0.390 11.355 1.00 0.00 C ATOM 1548 CD GLN A 103 7.332 0.315 11.982 1.00 0.00 C ATOM 1549 OE1 GLN A 103 8.141 1.229 11.849 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.634 -0.793 12.642 1.00 0.00 N ATOM 0 H GLN A 103 5.008 -0.840 8.270 1.00 0.00 H new ATOM 0 HA GLN A 103 3.747 1.437 9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.759 0.889 9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.026 2.245 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.252 0.851 12.066 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.575 -0.621 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.941 -1.535 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.560 -0.904 13.056 1.00 0.00 H new ATOM 1559 N GLU A 104 3.763 2.441 7.376 1.00 0.00 N ATOM 1560 CA GLU A 104 3.825 3.255 6.148 1.00 0.00 C ATOM 1561 C GLU A 104 4.245 4.678 6.526 1.00 0.00 C ATOM 1562 O GLU A 104 3.804 5.208 7.539 1.00 0.00 O ATOM 1563 CB GLU A 104 2.450 3.299 5.412 1.00 0.00 C ATOM 1564 CG GLU A 104 1.916 1.956 4.853 1.00 0.00 C ATOM 1565 CD GLU A 104 1.564 0.874 5.903 1.00 0.00 C ATOM 1566 OE1 GLU A 104 1.263 1.210 7.076 1.00 0.00 O ATOM 1567 OE2 GLU A 104 1.550 -0.313 5.529 1.00 0.00 O ATOM 0 H GLU A 104 2.859 2.477 7.846 1.00 0.00 H new ATOM 0 HA GLU A 104 4.549 2.803 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.707 3.699 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.529 4.004 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.025 2.161 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.663 1.545 4.174 1.00 0.00 H new ATOM 1574 N THR A 105 5.112 5.266 5.716 1.00 0.00 N ATOM 1575 CA THR A 105 5.496 6.667 5.805 1.00 0.00 C ATOM 1576 C THR A 105 5.469 7.210 4.382 1.00 0.00 C ATOM 1577 O THR A 105 6.323 6.850 3.562 1.00 0.00 O ATOM 1578 CB THR A 105 6.916 6.844 6.436 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.951 6.222 7.726 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.296 8.332 6.587 1.00 0.00 C ATOM 0 H THR A 105 5.581 4.769 4.958 1.00 0.00 H new ATOM 0 HA THR A 105 4.808 7.208 6.455 1.00 0.00 H new ATOM 0 HB THR A 105 7.635 6.374 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.642 6.858 8.404 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.289 8.411 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.296 8.809 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.571 8.829 7.232 1.00 0.00 H new ATOM 1588 N PHE A 106 4.483 8.058 4.097 1.00 0.00 N ATOM 1589 CA PHE A 106 4.209 8.547 2.747 1.00 0.00 C ATOM 1590 C PHE A 106 4.370 10.060 2.750 1.00 0.00 C ATOM 1591 O PHE A 106 3.892 10.738 3.667 1.00 0.00 O ATOM 1592 CB PHE A 106 2.784 8.120 2.272 1.00 0.00 C ATOM 1593 CG PHE A 106 1.618 8.567 3.172 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.259 7.828 4.303 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.874 9.719 2.883 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.204 8.218 5.103 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.183 10.106 3.689 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.515 9.354 4.798 1.00 0.00 C ATOM 0 H PHE A 106 3.846 8.428 4.802 1.00 0.00 H new ATOM 0 HA PHE A 106 4.913 8.108 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.620 8.519 1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.759 7.033 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.816 6.938 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.129 10.314 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.059 7.631 5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.747 10.995 3.450 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.339 9.656 5.427 1.00 0.00 H new ATOM 1608 N ASP A 107 5.059 10.575 1.739 1.00 0.00 N ATOM 1609 CA ASP A 107 5.208 12.015 1.518 1.00 0.00 C ATOM 1610 C ASP A 107 3.836 12.579 1.116 1.00 0.00 C ATOM 1611 O ASP A 107 3.162 12.005 0.264 1.00 0.00 O ATOM 1612 CB ASP A 107 6.287 12.258 0.429 1.00 0.00 C ATOM 1613 CG ASP A 107 6.518 13.737 0.090 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.278 14.413 0.817 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.943 14.228 -0.901 1.00 0.00 O ATOM 0 H ASP A 107 5.535 10.003 1.042 1.00 0.00 H new ATOM 0 HA ASP A 107 5.541 12.526 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.229 11.822 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.996 11.730 -0.479 1.00 0.00 H new ATOM 1620 N ALA A 108 3.399 13.650 1.788 1.00 0.00 N ATOM 1621 CA ALA A 108 2.075 14.261 1.573 1.00 0.00 C ATOM 1622 C ALA A 108 2.224 15.555 0.759 1.00 0.00 C ATOM 1623 O ALA A 108 3.265 16.214 0.817 1.00 0.00 O ATOM 1624 CB ALA A 108 1.395 14.518 2.929 1.00 0.00 C ATOM 0 H ALA A 108 3.954 14.123 2.501 1.00 0.00 H new ATOM 0 HA ALA A 108 1.442 13.580 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.417 14.970 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.275 13.574 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.011 15.193 3.523 1.00 0.00 H new ATOM 1630 N GLU A 109 1.169 15.912 0.016 1.00 0.00 N ATOM 1631 CA GLU A 109 1.136 17.101 -0.859 1.00 0.00 C ATOM 1632 C GLU A 109 0.442 18.248 -0.109 1.00 0.00 C ATOM 1633 O GLU A 109 -0.575 18.024 0.544 1.00 0.00 O ATOM 1634 CB GLU A 109 0.382 16.791 -2.192 1.00 0.00 C ATOM 1635 CG GLU A 109 1.131 15.845 -3.149 1.00 0.00 C ATOM 1636 CD GLU A 109 0.324 15.462 -4.406 1.00 0.00 C ATOM 1637 OE1 GLU A 109 0.333 16.232 -5.393 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -0.355 14.406 -4.400 1.00 0.00 O ATOM 0 H GLU A 109 0.300 15.379 0.002 1.00 0.00 H new ATOM 0 HA GLU A 109 2.156 17.388 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.586 16.352 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.186 17.730 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.063 16.319 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.399 14.936 -2.610 1.00 0.00 H new ATOM 1688 N THR A 113 -5.487 17.925 0.737 1.00 0.00 N ATOM 1689 CA THR A 113 -5.884 17.999 2.150 1.00 0.00 C ATOM 1690 C THR A 113 -5.149 16.920 2.989 1.00 0.00 C ATOM 1691 O THR A 113 -5.361 15.735 2.743 1.00 0.00 O ATOM 1692 CB THR A 113 -7.432 17.825 2.281 1.00 0.00 C ATOM 1693 OG1 THR A 113 -8.095 18.791 1.443 1.00 0.00 O ATOM 1694 CG2 THR A 113 -7.923 17.973 3.740 1.00 0.00 C ATOM 0 HA THR A 113 -5.602 18.979 2.535 1.00 0.00 H new ATOM 0 HB THR A 113 -7.677 16.812 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.510 19.031 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.005 17.843 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.447 17.216 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.664 18.964 4.112 1.00 0.00 H new ATOM 1702 N PRO A 114 -4.253 17.320 3.971 1.00 0.00 N ATOM 1703 CA PRO A 114 -3.444 16.369 4.794 1.00 0.00 C ATOM 1704 C PRO A 114 -4.306 15.351 5.557 1.00 0.00 C ATOM 1705 O PRO A 114 -3.940 14.184 5.653 1.00 0.00 O ATOM 1706 CB PRO A 114 -2.666 17.290 5.776 1.00 0.00 C ATOM 1707 CG PRO A 114 -2.621 18.613 5.087 1.00 0.00 C ATOM 1708 CD PRO A 114 -3.941 18.727 4.346 1.00 0.00 C ATOM 0 HA PRO A 114 -2.793 15.757 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.171 17.361 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -1.663 16.908 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.502 19.425 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.778 18.669 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.719 19.156 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.854 19.366 3.468 1.00 0.00 H new ATOM 1716 N ALA A 115 -5.430 15.832 6.127 1.00 0.00 N ATOM 1717 CA ALA A 115 -6.454 14.976 6.772 1.00 0.00 C ATOM 1718 C ALA A 115 -6.999 13.893 5.821 1.00 0.00 C ATOM 1719 O ALA A 115 -7.110 12.724 6.204 1.00 0.00 O ATOM 1720 CB ALA A 115 -7.600 15.846 7.320 1.00 0.00 C ATOM 0 H ALA A 115 -5.656 16.826 6.154 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.971 14.454 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.347 15.208 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.205 16.547 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.060 16.399 6.501 1.00 0.00 H new ATOM 1726 N GLN A 116 -7.342 14.303 4.587 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.870 13.384 3.553 1.00 0.00 C ATOM 1728 C GLN A 116 -6.809 12.352 3.115 1.00 0.00 C ATOM 1729 O GLN A 116 -7.140 11.199 2.832 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.382 14.191 2.326 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.935 13.332 1.166 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.463 14.142 -0.025 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -8.996 15.248 -0.301 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -10.423 13.586 -0.754 1.00 0.00 N ATOM 0 H GLN A 116 -7.263 15.271 4.276 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.704 12.835 3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.165 14.873 2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.565 14.805 1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.147 12.665 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.739 12.703 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.790 12.669 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.794 14.076 -1.568 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.537 12.791 3.057 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.407 11.923 2.672 1.00 0.00 C ATOM 1745 C GLN A 117 -4.125 10.883 3.766 1.00 0.00 C ATOM 1746 O GLN A 117 -3.978 9.699 3.477 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.134 12.765 2.385 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.275 13.744 1.203 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.994 14.525 0.929 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.149 14.095 0.146 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.841 15.674 1.578 1.00 0.00 N ATOM 0 H GLN A 117 -5.265 13.750 3.274 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.683 11.398 1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.877 13.330 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.303 12.089 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.555 13.189 0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.085 14.444 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.565 15.998 2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.000 16.233 1.434 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.047 11.353 5.026 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.788 10.510 6.208 1.00 0.00 C ATOM 1762 C GLN A 118 -4.872 9.429 6.337 1.00 0.00 C ATOM 1763 O GLN A 118 -4.573 8.230 6.309 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.717 11.423 7.485 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.076 10.789 8.751 1.00 0.00 C ATOM 1766 CD GLN A 118 -3.954 9.789 9.498 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.944 8.601 9.205 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -4.695 10.256 10.487 1.00 0.00 N ATOM 0 H GLN A 118 -4.164 12.340 5.254 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.833 9.997 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.156 12.322 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.729 11.739 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.153 10.289 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.801 11.589 9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.682 11.252 10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.280 9.621 11.030 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.128 9.886 6.447 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.300 9.011 6.600 1.00 0.00 C ATOM 1779 C ALA A 119 -7.498 8.113 5.362 1.00 0.00 C ATOM 1780 O ALA A 119 -7.897 6.952 5.490 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.554 9.856 6.872 1.00 0.00 C ATOM 0 H ALA A 119 -6.361 10.879 6.432 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.128 8.354 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.417 9.200 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.414 10.431 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.722 10.537 6.038 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.191 8.666 4.169 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.293 7.928 2.905 1.00 0.00 C ATOM 1789 C GLY A 120 -6.370 6.720 2.870 1.00 0.00 C ATOM 1790 O GLY A 120 -6.820 5.599 2.623 1.00 0.00 O ATOM 0 H GLY A 120 -6.869 9.628 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.323 7.601 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.049 8.594 2.077 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.092 6.957 3.182 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.053 5.913 3.213 1.00 0.00 C ATOM 1796 C TRP A 121 -4.282 4.893 4.342 1.00 0.00 C ATOM 1797 O TRP A 121 -4.045 3.699 4.147 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.657 6.560 3.350 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.073 7.041 2.048 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.432 8.142 1.320 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.010 6.417 1.330 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.656 8.234 0.198 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -0.777 7.182 0.181 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.231 5.275 1.559 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 0.204 6.846 -0.741 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.740 4.941 0.642 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.950 5.726 -0.496 1.00 0.00 C ATOM 0 H TRP A 121 -4.743 7.885 3.423 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.111 5.367 2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.724 7.402 4.039 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.975 5.836 3.797 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.213 8.836 1.591 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.720 8.965 -0.510 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.389 4.668 2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 0.373 7.448 -1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 1.347 4.062 0.803 1.00 0.00 H new ATOM 0 HH2 TRP A 121 1.720 5.441 -1.198 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.711 5.373 5.524 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.019 4.507 6.683 1.00 0.00 C ATOM 1820 C GLN A 122 -6.274 3.660 6.409 1.00 0.00 C ATOM 1821 O GLN A 122 -6.445 2.586 6.984 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.185 5.358 7.975 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.527 4.572 9.269 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.480 3.519 9.663 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.506 3.825 10.351 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.696 2.270 9.280 1.00 0.00 N ATOM 0 H GLN A 122 -4.854 6.367 5.705 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.182 3.825 6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.261 5.911 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.970 6.094 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.641 5.279 10.091 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.490 4.079 9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.511 2.045 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.047 1.533 9.555 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.151 4.171 5.534 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.295 3.407 5.039 1.00 0.00 C ATOM 1837 C GLY A 123 -7.874 2.266 4.118 1.00 0.00 C ATOM 1838 O GLY A 123 -8.369 1.151 4.246 1.00 0.00 O ATOM 0 H GLY A 123 -7.086 5.116 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.852 3.002 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.970 4.074 4.503 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.955 2.568 3.186 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.349 1.586 2.251 1.00 0.00 C ATOM 1844 C ILE A 124 -5.596 0.490 3.042 1.00 0.00 C ATOM 1845 O ILE A 124 -5.670 -0.710 2.721 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.373 2.340 1.262 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.163 3.408 0.433 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.605 1.363 0.335 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.299 4.388 -0.347 1.00 0.00 C ATOM 0 H ILE A 124 -6.602 3.516 3.053 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.134 1.101 1.670 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.621 2.850 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.819 2.890 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.802 3.972 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.948 1.929 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.010 0.679 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.317 0.793 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.938 5.086 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.661 4.940 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.678 3.841 -1.056 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.908 0.941 4.102 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.178 0.084 5.045 1.00 0.00 C ATOM 1863 C LEU A 125 -5.158 -0.738 5.901 1.00 0.00 C ATOM 1864 O LEU A 125 -4.857 -1.870 6.268 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.267 0.950 5.958 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.538 0.196 7.112 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.590 -0.910 6.578 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.802 1.194 8.031 1.00 0.00 C ATOM 0 H LEU A 125 -4.843 1.933 4.331 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.556 -0.606 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.515 1.432 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.874 1.743 6.396 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.295 -0.313 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.104 -1.409 7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.166 -1.638 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.833 -0.461 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.299 0.650 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.065 1.748 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.521 1.890 8.463 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.309 -0.132 6.250 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.391 -0.826 6.980 1.00 0.00 C ATOM 1882 C ASP A 126 -7.948 -1.965 6.134 1.00 0.00 C ATOM 1883 O ASP A 126 -8.165 -3.067 6.637 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.535 0.145 7.375 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.591 -0.519 8.281 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.366 -0.594 9.509 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.630 -0.994 7.766 1.00 0.00 O ATOM 0 H ASP A 126 -6.516 0.844 6.037 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.962 -1.228 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -8.112 1.008 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -9.019 0.517 6.472 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.135 -1.685 4.831 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.647 -2.661 3.853 1.00 0.00 C ATOM 1894 C ASN A 127 -7.664 -3.827 3.697 1.00 0.00 C ATOM 1895 O ASN A 127 -8.081 -4.950 3.444 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.909 -1.984 2.472 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.155 -1.077 2.423 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.808 -0.962 1.388 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.497 -0.413 3.521 1.00 0.00 N ATOM 0 H ASN A 127 -7.934 -0.771 4.426 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.595 -3.049 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.035 -1.392 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.013 -2.762 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.311 0.202 3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.946 -0.518 4.373 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.361 -3.523 3.860 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.281 -4.521 3.861 1.00 0.00 C ATOM 1908 C PHE A 128 -5.319 -5.368 5.158 1.00 0.00 C ATOM 1909 O PHE A 128 -5.414 -6.588 5.096 1.00 0.00 O ATOM 1910 CB PHE A 128 -3.903 -3.818 3.698 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.692 -4.744 3.878 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.525 -5.862 3.069 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.736 -4.498 4.862 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.448 -6.701 3.237 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.657 -5.343 5.027 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.515 -6.444 4.212 1.00 0.00 C ATOM 0 H PHE A 128 -6.029 -2.568 3.996 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.427 -5.195 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.855 -3.366 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.835 -3.007 4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.251 -6.075 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.841 -3.635 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.335 -7.566 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.075 -5.141 5.795 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.329 -7.105 4.339 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.229 -4.692 6.320 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.180 -5.314 7.663 1.00 0.00 C ATOM 1928 C LYS A 129 -6.344 -6.301 7.887 1.00 0.00 C ATOM 1929 O LYS A 129 -6.132 -7.478 8.226 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.207 -4.181 8.741 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.428 -4.659 10.193 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.615 -3.499 11.199 1.00 0.00 C ATOM 1933 CE LYS A 129 -6.167 -3.974 12.554 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.261 -4.928 13.231 1.00 0.00 N ATOM 0 H LYS A 129 -5.187 -3.673 6.354 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.259 -5.891 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.265 -3.635 8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.997 -3.476 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.306 -5.304 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.576 -5.265 10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.658 -3.001 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.294 -2.760 10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.329 -3.111 13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.138 -4.445 12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.589 -5.087 14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.259 -5.831 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -4.297 -4.538 13.250 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.574 -5.791 7.696 1.00 0.00 N ATOM 1949 CA ARG A 130 -8.813 -6.568 7.893 1.00 0.00 C ATOM 1950 C ARG A 130 -8.925 -7.700 6.864 1.00 0.00 C ATOM 1951 O ARG A 130 -9.502 -8.739 7.161 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.056 -5.637 7.855 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.464 -5.142 6.448 1.00 0.00 C ATOM 1954 CD ARG A 130 -11.541 -4.052 6.464 1.00 0.00 C ATOM 1955 NE ARG A 130 -11.984 -3.729 5.098 1.00 0.00 N ATOM 1956 CZ ARG A 130 -12.574 -2.593 4.713 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -12.806 -1.619 5.583 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -12.972 -2.468 3.459 1.00 0.00 N ATOM 0 H ARG A 130 -7.738 -4.829 7.401 1.00 0.00 H new ATOM 0 HA ARG A 130 -8.773 -7.030 8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.901 -6.167 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.860 -4.770 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.580 -4.759 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -10.826 -5.989 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.393 -4.386 7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -11.149 -3.156 6.945 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.826 -4.436 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -12.533 -1.732 6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -13.257 -0.757 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.827 -3.233 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.424 -1.607 3.151 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.357 -7.485 5.657 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.287 -8.515 4.607 1.00 0.00 C ATOM 1974 C TYR A 131 -7.491 -9.722 5.119 1.00 0.00 C ATOM 1975 O TYR A 131 -8.012 -10.827 5.131 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.643 -7.932 3.316 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.365 -8.936 2.179 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.360 -9.290 1.268 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.103 -9.519 2.019 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.112 -10.182 0.251 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -5.858 -10.415 1.003 1.00 0.00 C ATOM 1982 CZ TYR A 131 -6.866 -10.741 0.122 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.621 -11.616 -0.906 1.00 0.00 O ATOM 0 H TYR A 131 -7.937 -6.595 5.388 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.297 -8.843 4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.297 -7.150 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.702 -7.454 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.344 -8.855 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.308 -9.262 2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.896 -10.442 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.880 -10.860 0.897 1.00 0.00 H new ATOM 0 HH TYR A 131 -7.187 -11.387 -1.672 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.257 -9.465 5.589 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.293 -10.514 5.992 1.00 0.00 C ATOM 1995 C VAL A 132 -5.838 -11.375 7.151 1.00 0.00 C ATOM 1996 O VAL A 132 -5.942 -12.607 7.039 1.00 0.00 O ATOM 1997 CB VAL A 132 -3.910 -9.878 6.424 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -2.875 -10.956 6.820 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.343 -8.960 5.327 1.00 0.00 C ATOM 0 H VAL A 132 -5.895 -8.518 5.702 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.142 -11.153 5.122 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.108 -9.270 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.941 -10.475 7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.258 -11.538 7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.695 -11.617 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.393 -8.541 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.187 -9.536 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.047 -8.152 5.129 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.202 -10.694 8.251 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.552 -11.345 9.527 1.00 0.00 C ATOM 2011 C GLU A 133 -7.951 -11.999 9.489 1.00 0.00 C ATOM 2012 O GLU A 133 -8.145 -13.073 10.074 1.00 0.00 O ATOM 2013 CB GLU A 133 -6.444 -10.327 10.689 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.026 -9.740 10.876 1.00 0.00 C ATOM 2015 CD GLU A 133 -4.917 -8.793 12.083 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -4.775 -9.281 13.219 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -4.982 -7.562 11.906 1.00 0.00 O ATOM 0 H GLU A 133 -6.262 -9.676 8.281 1.00 0.00 H new ATOM 0 HA GLU A 133 -5.838 -12.151 9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.144 -9.511 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.751 -10.813 11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -4.315 -10.557 10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -4.741 -9.201 9.973 1.00 0.00 H new ATOM 2024 N ALA A 134 -8.913 -11.374 8.781 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.303 -11.902 8.681 1.00 0.00 C ATOM 2026 C ALA A 134 -10.444 -12.880 7.497 1.00 0.00 C ATOM 2027 O ALA A 134 -11.476 -13.545 7.367 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.326 -10.757 8.590 1.00 0.00 C ATOM 0 H ALA A 134 -8.761 -10.505 8.269 1.00 0.00 H new ATOM 0 HA ALA A 134 -10.515 -12.460 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.331 -11.172 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.254 -10.133 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.119 -10.153 7.706 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.401 -12.956 6.640 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.263 -14.047 5.646 1.00 0.00 C ATOM 2036 C ALA A 135 -8.994 -15.357 6.380 1.00 0.00 C ATOM 2037 O ALA A 135 -9.537 -16.415 6.033 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.115 -13.778 4.650 1.00 0.00 C ATOM 0 H ALA A 135 -8.642 -12.275 6.616 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.191 -14.105 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.049 -14.602 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.310 -12.850 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.174 -13.692 5.194 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.145 -15.242 7.416 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.668 -16.388 8.152 1.00 0.00 C ATOM 2046 C GLY A 136 -6.725 -17.206 7.296 1.00 0.00 C ATOM 2047 O GLY A 136 -7.076 -18.301 6.844 1.00 0.00 O ATOM 0 H GLY A 136 -7.782 -14.350 7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.157 -16.060 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.511 -17.003 8.467 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.515 -16.659 7.064 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.456 -17.320 6.262 1.00 0.00 C ATOM 2053 C LEU A 137 -3.700 -18.378 7.109 1.00 0.00 C ATOM 2054 O LEU A 137 -2.507 -18.624 6.898 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.473 -16.251 5.695 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.093 -15.121 4.806 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.026 -14.071 4.395 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.811 -15.704 3.560 1.00 0.00 C ATOM 0 H LEU A 137 -5.240 -15.746 7.426 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.923 -17.840 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.962 -15.780 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.713 -16.766 5.108 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.844 -14.612 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.491 -13.302 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.603 -13.613 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.234 -14.560 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.229 -14.890 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.096 -16.263 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.613 -16.369 3.880 1.00 0.00 H new