USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 265 hydrogens (11 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 NoAdj-H: A 37 TYC H0 : A 37 TYC N : A 36 THR C :(H bumps) USER MOD NoAdj-H: A 37 TYC H : A 37 TYC N : A 36 THR C :(H bumps) USER MOD Single : A 1 LYS N :NH3+ 127:sc= 0.194 (180deg=-0.0106) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.271 F(o=-1.2,f=-0.27) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -125:sc= 1.24 USER MOD Single : A 10 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.47) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.449 F(o=-1.5,f=-0.45) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -48:sc= 0.272 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0164 F(o=-0.69,f=-0.016) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0094 USER MOD Single : A 29 SER OG : rot -10:sc= 1.19 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.7) USER MOD Single : A 34 SER OG : rot -41:sc= 0.44 USER MOD Single : A 35 ASN : amide:sc= 0.0596 K(o=0.06,f=-5.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.220 6.234 9.471 1.00 0.00 N ATOM 2 CA LYS A 1 9.968 5.887 8.082 1.00 0.00 C ATOM 3 C LYS A 1 11.003 6.563 7.222 1.00 0.00 C ATOM 4 O LYS A 1 11.724 7.433 7.697 1.00 0.00 O ATOM 5 CB LYS A 1 8.557 6.338 7.649 1.00 0.00 C ATOM 6 CG LYS A 1 8.325 7.851 7.680 1.00 0.00 C ATOM 7 CD LYS A 1 6.924 8.199 7.213 1.00 0.00 C ATOM 8 CE LYS A 1 6.683 9.702 7.208 1.00 0.00 C ATOM 9 NZ LYS A 1 5.345 10.042 6.679 1.00 0.00 N ATOM 0 H1 LYS A 1 9.351 6.614 9.897 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.518 5.385 9.992 1.00 0.00 H new ATOM 0 H3 LYS A 1 10.971 6.951 9.519 1.00 0.00 H new ATOM 0 HA LYS A 1 10.027 4.805 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.371 5.977 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.824 5.859 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.477 8.225 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.058 8.347 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.767 7.803 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.194 7.717 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.782 10.089 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.448 10.191 6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.219 11.074 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.259 9.695 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.614 9.597 7.270 1.00 0.00 H new ATOM 25 N CYS A 2 11.065 6.191 5.976 1.00 0.00 N ATOM 26 CA CYS A 2 11.980 6.789 5.050 1.00 0.00 C ATOM 27 C CYS A 2 11.212 7.242 3.828 1.00 0.00 C ATOM 28 O CYS A 2 10.185 6.647 3.486 1.00 0.00 O ATOM 29 CB CYS A 2 13.085 5.809 4.697 1.00 0.00 C ATOM 30 SG CYS A 2 12.533 4.168 4.179 1.00 0.00 S ATOM 0 H CYS A 2 10.479 5.460 5.573 1.00 0.00 H new ATOM 0 HA CYS A 2 12.458 7.660 5.499 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.687 6.240 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.738 5.697 5.563 1.00 0.00 H new ATOM 35 N ASN A 3 11.688 8.263 3.160 1.00 0.00 N ATOM 36 CA ASN A 3 10.911 8.878 2.095 1.00 0.00 C ATOM 37 C ASN A 3 11.793 9.233 0.895 1.00 0.00 C ATOM 38 O ASN A 3 11.435 10.045 0.058 1.00 0.00 O ATOM 39 CB ASN A 3 10.197 10.132 2.646 1.00 0.00 C ATOM 40 CG ASN A 3 9.145 10.724 1.703 1.00 0.00 C ATOM 41 OD1 ASN A 3 8.471 9.887 0.941 1.00 0.00 O flip ATOM 42 ND2 ASN A 3 8.926 11.931 1.686 1.00 0.00 N flip ATOM 0 H ASN A 3 12.600 8.688 3.327 1.00 0.00 H new ATOM 0 HA ASN A 3 10.166 8.164 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.718 9.877 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.944 10.895 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.464 12.555 2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.206 12.310 1.071 1.00 0.00 H new ATOM 49 N THR A 4 12.908 8.581 0.773 1.00 0.00 N ATOM 50 CA THR A 4 13.758 8.849 -0.353 1.00 0.00 C ATOM 51 C THR A 4 13.525 7.771 -1.407 1.00 0.00 C ATOM 52 O THR A 4 12.988 6.703 -1.097 1.00 0.00 O ATOM 53 CB THR A 4 15.263 8.893 0.054 1.00 0.00 C ATOM 54 OG1 THR A 4 16.066 9.291 -1.061 1.00 0.00 O ATOM 55 CG2 THR A 4 15.734 7.535 0.542 1.00 0.00 C ATOM 0 H THR A 4 13.249 7.873 1.423 1.00 0.00 H new ATOM 0 HA THR A 4 13.508 9.831 -0.755 1.00 0.00 H new ATOM 0 HB THR A 4 15.368 9.617 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.008 9.317 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.787 7.593 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.146 7.236 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.608 6.799 -0.252 1.00 0.00 H new ATOM 63 N ALA A 5 13.964 8.031 -2.613 1.00 0.00 N ATOM 64 CA ALA A 5 13.787 7.139 -3.764 1.00 0.00 C ATOM 65 C ALA A 5 14.536 5.830 -3.566 1.00 0.00 C ATOM 66 O ALA A 5 14.273 4.835 -4.228 1.00 0.00 O ATOM 67 CB ALA A 5 14.244 7.826 -5.037 1.00 0.00 C ATOM 0 H ALA A 5 14.469 8.887 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 5 12.726 6.906 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.107 7.153 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.656 8.730 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.298 8.090 -4.950 1.00 0.00 H new ATOM 73 N THR A 6 15.475 5.853 -2.668 1.00 0.00 N ATOM 74 CA THR A 6 16.253 4.698 -2.337 1.00 0.00 C ATOM 75 C THR A 6 15.531 3.840 -1.256 1.00 0.00 C ATOM 76 O THR A 6 15.843 2.661 -1.062 1.00 0.00 O ATOM 77 CB THR A 6 17.633 5.174 -1.806 1.00 0.00 C ATOM 78 OG1 THR A 6 18.271 5.994 -2.799 1.00 0.00 O ATOM 79 CG2 THR A 6 18.538 4.014 -1.448 1.00 0.00 C ATOM 0 H THR A 6 15.725 6.687 -2.137 1.00 0.00 H new ATOM 0 HA THR A 6 16.384 4.078 -3.224 1.00 0.00 H new ATOM 0 HB THR A 6 17.458 5.748 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.141 6.296 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.491 4.396 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.066 3.411 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.709 3.400 -2.332 1.00 0.00 H new ATOM 87 N CYS A 7 14.519 4.395 -0.611 1.00 0.00 N ATOM 88 CA CYS A 7 13.974 3.711 0.547 1.00 0.00 C ATOM 89 C CYS A 7 12.489 3.577 0.507 1.00 0.00 C ATOM 90 O CYS A 7 11.946 2.542 0.876 1.00 0.00 O ATOM 91 CB CYS A 7 14.342 4.451 1.766 1.00 0.00 C ATOM 92 SG CYS A 7 14.202 3.454 3.287 1.00 0.00 S ATOM 0 H CYS A 7 14.074 5.280 -0.856 1.00 0.00 H new ATOM 0 HA CYS A 7 14.395 2.706 0.544 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.366 4.810 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.703 5.330 1.856 1.00 0.00 H new ATOM 97 N ALA A 8 11.805 4.604 0.041 1.00 0.00 N ATOM 98 CA ALA A 8 10.368 4.561 -0.031 1.00 0.00 C ATOM 99 C ALA A 8 9.973 3.491 -1.031 1.00 0.00 C ATOM 100 O ALA A 8 8.929 2.873 -0.927 1.00 0.00 O ATOM 101 CB ALA A 8 9.815 5.913 -0.418 1.00 0.00 C ATOM 0 H ALA A 8 12.224 5.473 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 8 9.949 4.314 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.727 5.861 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.109 6.653 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.209 6.202 -1.392 1.00 0.00 H new ATOM 107 N THR A 9 10.885 3.238 -1.942 1.00 0.00 N ATOM 108 CA THR A 9 10.739 2.206 -2.947 1.00 0.00 C ATOM 109 C THR A 9 10.781 0.814 -2.311 1.00 0.00 C ATOM 110 O THR A 9 10.144 -0.128 -2.757 1.00 0.00 O ATOM 111 CB THR A 9 11.826 2.352 -3.995 1.00 0.00 C ATOM 112 OG1 THR A 9 13.076 2.592 -3.318 1.00 0.00 O ATOM 113 CG2 THR A 9 11.512 3.514 -4.913 1.00 0.00 C ATOM 0 H THR A 9 11.764 3.751 -2.008 1.00 0.00 H new ATOM 0 HA THR A 9 9.768 2.321 -3.428 1.00 0.00 H new ATOM 0 HB THR A 9 11.888 1.444 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.479 3.418 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.299 3.609 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.558 3.338 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.453 4.433 -4.330 1.00 0.00 H new ATOM 121 N GLN A 10 11.521 0.718 -1.253 1.00 0.00 N ATOM 122 CA GLN A 10 11.670 -0.512 -0.495 1.00 0.00 C ATOM 123 C GLN A 10 10.402 -0.729 0.282 1.00 0.00 C ATOM 124 O GLN A 10 9.911 -1.841 0.405 1.00 0.00 O ATOM 125 CB GLN A 10 12.873 -0.434 0.453 1.00 0.00 C ATOM 126 CG GLN A 10 14.149 0.014 -0.235 1.00 0.00 C ATOM 127 CD GLN A 10 14.532 -0.856 -1.407 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.283 -2.068 -1.419 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.064 -0.242 -2.415 1.00 0.00 N ATOM 0 H GLN A 10 12.055 1.500 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 10 11.849 -1.346 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.644 0.257 1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.036 -1.413 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.027 1.041 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.963 0.015 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.252 0.759 -2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.295 -0.759 -3.263 1.00 0.00 H new ATOM 138 N ARG A 11 9.848 0.370 0.762 1.00 0.00 N ATOM 139 CA ARG A 11 8.570 0.349 1.474 1.00 0.00 C ATOM 140 C ARG A 11 7.491 -0.073 0.490 1.00 0.00 C ATOM 141 O ARG A 11 6.575 -0.806 0.835 1.00 0.00 O ATOM 142 CB ARG A 11 8.210 1.731 2.055 1.00 0.00 C ATOM 143 CG ARG A 11 9.309 2.420 2.863 1.00 0.00 C ATOM 144 CD ARG A 11 9.842 1.558 3.986 1.00 0.00 C ATOM 145 NE ARG A 11 8.795 1.139 4.930 1.00 0.00 N ATOM 146 CZ ARG A 11 9.015 0.534 6.103 1.00 0.00 C ATOM 147 NH1 ARG A 11 10.253 0.305 6.519 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.991 0.162 6.853 1.00 0.00 N ATOM 0 H ARG A 11 10.262 1.298 0.674 1.00 0.00 H new ATOM 0 HA ARG A 11 8.647 -0.348 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.925 2.387 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.333 1.619 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.129 2.688 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.919 3.349 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.319 0.674 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.612 2.108 4.526 1.00 0.00 H new ATOM 0 HE ARG A 11 7.826 1.324 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.045 0.591 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.413 -0.157 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.037 0.337 6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.155 -0.299 7.748 1.00 0.00 H new ATOM 162 N LEU A 12 7.637 0.385 -0.743 1.00 0.00 N ATOM 163 CA LEU A 12 6.784 0.011 -1.841 1.00 0.00 C ATOM 164 C LEU A 12 6.895 -1.469 -2.118 1.00 0.00 C ATOM 165 O LEU A 12 5.906 -2.124 -2.434 1.00 0.00 O ATOM 166 CB LEU A 12 7.196 0.779 -3.080 1.00 0.00 C ATOM 167 CG LEU A 12 6.793 2.254 -3.168 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.252 2.847 -4.482 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.288 2.410 -3.038 1.00 0.00 C ATOM 0 H LEU A 12 8.371 1.042 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 12 5.753 0.246 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.281 0.722 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.781 0.265 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 12 7.274 2.785 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.958 3.896 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.337 2.770 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.792 2.303 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.025 3.466 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.795 1.863 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.963 2.014 -2.076 1.00 0.00 H new ATOM 181 N ALA A 13 8.095 -1.995 -1.990 1.00 0.00 N ATOM 182 CA ALA A 13 8.329 -3.401 -2.187 1.00 0.00 C ATOM 183 C ALA A 13 7.666 -4.197 -1.062 1.00 0.00 C ATOM 184 O ALA A 13 7.116 -5.253 -1.277 1.00 0.00 O ATOM 185 CB ALA A 13 9.818 -3.704 -2.271 1.00 0.00 C ATOM 0 H ALA A 13 8.928 -1.459 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 13 7.885 -3.700 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.964 -4.774 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.254 -3.158 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.305 -3.397 -1.345 1.00 0.00 H new ATOM 191 N ASN A 14 7.656 -3.622 0.129 1.00 0.00 N ATOM 192 CA ASN A 14 7.041 -4.269 1.306 1.00 0.00 C ATOM 193 C ASN A 14 5.543 -4.122 1.296 1.00 0.00 C ATOM 194 O ASN A 14 4.839 -4.717 2.113 1.00 0.00 O ATOM 195 CB ASN A 14 7.569 -3.762 2.654 1.00 0.00 C ATOM 196 CG ASN A 14 8.997 -4.148 2.979 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.849 -4.145 2.016 1.00 0.00 O flip ATOM 198 ND2 ASN A 14 9.329 -4.404 4.134 1.00 0.00 N flip ATOM 0 H ASN A 14 8.064 -2.707 0.320 1.00 0.00 H new ATOM 0 HA ASN A 14 7.325 -5.317 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.492 -2.675 2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.920 -4.139 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.631 -4.399 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.302 -4.621 4.349 1.00 0.00 H new ATOM 205 N PHE A 15 5.050 -3.343 0.375 1.00 0.00 N ATOM 206 CA PHE A 15 3.664 -3.065 0.274 1.00 0.00 C ATOM 207 C PHE A 15 3.031 -4.140 -0.554 1.00 0.00 C ATOM 208 O PHE A 15 1.835 -4.371 -0.491 1.00 0.00 O ATOM 209 CB PHE A 15 3.488 -1.653 -0.340 1.00 0.00 C ATOM 210 CG PHE A 15 2.405 -1.508 -1.369 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.098 -1.247 -1.004 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.709 -1.637 -2.714 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.119 -1.120 -1.962 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.739 -1.515 -3.671 1.00 0.00 C ATOM 215 CZ PHE A 15 0.441 -1.256 -3.297 1.00 0.00 C ATOM 0 H PHE A 15 5.619 -2.880 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 15 3.174 -3.062 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.288 -0.950 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.434 -1.356 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.843 -1.142 0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.728 -1.837 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.900 -0.914 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.991 -1.622 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.328 -1.159 -4.049 1.00 0.00 H new ATOM 225 N LEU A 16 3.851 -4.831 -1.302 1.00 0.00 N ATOM 226 CA LEU A 16 3.367 -5.791 -2.172 1.00 0.00 C ATOM 227 C LEU A 16 4.214 -7.066 -2.111 1.00 0.00 C ATOM 228 O LEU A 16 4.166 -7.912 -2.994 1.00 0.00 O ATOM 229 CB LEU A 16 3.334 -5.153 -3.543 1.00 0.00 C ATOM 230 CG LEU A 16 4.435 -5.449 -4.583 1.00 0.00 C ATOM 231 CD1 LEU A 16 4.001 -4.931 -5.933 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.741 -4.795 -4.199 1.00 0.00 C ATOM 0 H LEU A 16 4.865 -4.721 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 16 2.362 -6.115 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.382 -5.425 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.318 -4.074 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 16 4.587 -6.528 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.777 -5.139 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.076 -5.424 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.836 -3.855 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.497 -5.022 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.603 -3.716 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.067 -5.175 -3.231 1.00 0.00 H new ATOM 244 N VAL A 17 4.931 -7.214 -1.021 1.00 0.00 N ATOM 245 CA VAL A 17 5.868 -8.310 -0.857 1.00 0.00 C ATOM 246 C VAL A 17 5.150 -9.657 -0.633 1.00 0.00 C ATOM 247 O VAL A 17 5.247 -10.560 -1.442 1.00 0.00 O ATOM 248 CB VAL A 17 6.958 -7.968 0.222 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.386 -7.731 1.612 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.080 -8.978 0.239 1.00 0.00 C ATOM 0 H VAL A 17 4.884 -6.581 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 17 6.411 -8.440 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 17 7.384 -7.014 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.196 -7.500 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.687 -6.895 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.865 -8.627 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.809 -8.700 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.677 -9.965 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.565 -8.999 -0.737 1.00 0.00 H new ATOM 260 N HIS A 18 4.427 -9.770 0.437 1.00 0.00 N ATOM 261 CA HIS A 18 3.595 -10.953 0.700 1.00 0.00 C ATOM 262 C HIS A 18 2.188 -10.476 0.823 1.00 0.00 C ATOM 263 O HIS A 18 1.243 -11.245 1.036 1.00 0.00 O ATOM 264 CB HIS A 18 4.004 -11.694 1.984 1.00 0.00 C ATOM 265 CG HIS A 18 5.380 -12.260 1.954 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.555 -11.642 1.946 1.00 0.00 N flip ATOM 267 CD2 HIS A 18 5.658 -13.605 1.967 1.00 0.00 C flip ATOM 268 CE1 HIS A 18 7.528 -12.596 1.962 1.00 0.00 C flip ATOM 269 NE2 HIS A 18 6.959 -13.777 1.975 1.00 0.00 N flip ATOM 0 H HIS A 18 4.381 -9.058 1.166 1.00 0.00 H new ATOM 0 HA HIS A 18 3.719 -11.664 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.925 -11.007 2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.295 -12.502 2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.922 -14.396 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.592 -12.410 1.964 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.444 -14.674 1.989 1.00 0.00 H new ATOM 278 N SER A 19 2.054 -9.180 0.618 1.00 0.00 N ATOM 279 CA SER A 19 0.816 -8.494 0.690 1.00 0.00 C ATOM 280 C SER A 19 -0.012 -8.791 -0.501 1.00 0.00 C ATOM 281 O SER A 19 -1.188 -8.551 -0.487 1.00 0.00 O ATOM 282 CB SER A 19 1.061 -7.009 0.816 1.00 0.00 C ATOM 283 OG SER A 19 1.792 -6.705 1.993 1.00 0.00 O ATOM 0 H SER A 19 2.841 -8.572 0.390 1.00 0.00 H new ATOM 0 HA SER A 19 0.272 -8.835 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.609 -6.653 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.108 -6.481 0.831 1.00 0.00 H new ATOM 0 HG SER A 19 1.937 -5.737 2.047 1.00 0.00 H new ATOM 289 N SER A 20 0.618 -9.412 -1.475 1.00 0.00 N ATOM 290 CA SER A 20 0.091 -9.772 -2.782 1.00 0.00 C ATOM 291 C SER A 20 -1.295 -10.448 -2.705 1.00 0.00 C ATOM 292 O SER A 20 -2.116 -10.349 -3.616 1.00 0.00 O ATOM 293 CB SER A 20 1.101 -10.720 -3.395 1.00 0.00 C ATOM 294 OG SER A 20 2.414 -10.275 -3.069 1.00 0.00 O ATOM 0 H SER A 20 1.590 -9.703 -1.369 1.00 0.00 H new ATOM 0 HA SER A 20 -0.054 -8.873 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.943 -11.732 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.974 -10.757 -4.477 1.00 0.00 H new ATOM 0 HG SER A 20 2.491 -9.317 -3.258 1.00 0.00 H new ATOM 300 N ASN A 21 -1.543 -11.081 -1.604 1.00 0.00 N ATOM 301 CA ASN A 21 -2.723 -11.824 -1.380 1.00 0.00 C ATOM 302 C ASN A 21 -3.812 -11.018 -0.675 1.00 0.00 C ATOM 303 O ASN A 21 -4.939 -11.485 -0.532 1.00 0.00 O ATOM 304 CB ASN A 21 -2.337 -12.940 -0.473 1.00 0.00 C ATOM 305 CG ASN A 21 -2.931 -14.215 -0.888 1.00 0.00 C ATOM 306 OD1 ASN A 21 -4.012 -14.608 -0.435 1.00 0.00 O ATOM 307 ND2 ASN A 21 -2.253 -14.857 -1.769 1.00 0.00 N ATOM 0 H ASN A 21 -0.900 -11.090 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.125 -12.145 -2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.251 -13.034 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.653 -12.707 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.601 -15.744 -2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.366 -14.480 -2.104 1.00 0.00 H new ATOM 314 N ASN A 22 -3.488 -9.842 -0.206 1.00 0.00 N ATOM 315 CA ASN A 22 -4.373 -9.117 0.660 1.00 0.00 C ATOM 316 C ASN A 22 -4.537 -7.686 0.319 1.00 0.00 C ATOM 317 O ASN A 22 -5.611 -7.132 0.495 1.00 0.00 O ATOM 318 CB ASN A 22 -3.831 -9.185 2.048 1.00 0.00 C ATOM 319 CG ASN A 22 -4.528 -10.202 2.923 1.00 0.00 C ATOM 320 OD1 ASN A 22 -5.047 -11.232 2.312 1.00 0.00 O flip ATOM 321 ND2 ASN A 22 -4.602 -10.052 4.152 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.610 -9.365 -0.412 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.351 -9.585 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.769 -9.425 2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.916 -8.202 2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.183 -9.233 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.082 -10.748 4.723 1.00 0.00 H new ATOM 328 N PHE A 23 -3.489 -7.103 -0.118 1.00 0.00 N ATOM 329 CA PHE A 23 -3.392 -5.691 -0.377 1.00 0.00 C ATOM 330 C PHE A 23 -4.482 -5.174 -1.346 1.00 0.00 C ATOM 331 O PHE A 23 -4.442 -5.350 -2.565 1.00 0.00 O ATOM 332 CB PHE A 23 -1.961 -5.359 -0.763 1.00 0.00 C ATOM 333 CG PHE A 23 -1.543 -5.663 -2.145 1.00 0.00 C ATOM 334 CD1 PHE A 23 -1.807 -6.872 -2.658 1.00 0.00 C ATOM 335 CD2 PHE A 23 -0.847 -4.752 -2.895 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.408 -7.214 -3.896 1.00 0.00 C ATOM 337 CE2 PHE A 23 -0.432 -5.071 -4.160 1.00 0.00 C ATOM 338 CZ PHE A 23 -0.714 -6.318 -4.670 1.00 0.00 C ATOM 0 H PHE A 23 -2.625 -7.607 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.613 -5.134 0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.804 -4.294 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.296 -5.894 -0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.353 -7.589 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.625 -3.777 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.634 -8.197 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.112 -4.350 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.394 -6.588 -5.666 1.00 0.00 H new ATOM 348 N GLY A 24 -5.481 -4.603 -0.737 1.00 0.00 N ATOM 349 CA GLY A 24 -6.677 -4.153 -1.435 1.00 0.00 C ATOM 350 C GLY A 24 -7.467 -5.295 -1.983 1.00 0.00 C ATOM 351 O GLY A 24 -8.074 -5.215 -3.038 1.00 0.00 O ATOM 0 H GLY A 24 -5.500 -4.430 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.300 -3.576 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.393 -3.485 -2.248 1.00 0.00 H new ATOM 355 N ALA A 25 -7.436 -6.359 -1.251 1.00 0.00 N ATOM 356 CA ALA A 25 -8.230 -7.519 -1.487 1.00 0.00 C ATOM 357 C ALA A 25 -9.132 -7.624 -0.300 1.00 0.00 C ATOM 358 O ALA A 25 -10.362 -7.734 -0.412 1.00 0.00 O ATOM 359 CB ALA A 25 -7.349 -8.750 -1.634 1.00 0.00 C ATOM 0 H ALA A 25 -6.829 -6.447 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.801 -7.448 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.974 -9.625 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.668 -8.612 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.773 -8.897 -0.720 1.00 0.00 H new ATOM 365 N ILE A 26 -8.504 -7.478 0.844 1.00 0.00 N ATOM 366 CA ILE A 26 -9.158 -7.398 2.100 1.00 0.00 C ATOM 367 C ILE A 26 -9.559 -5.946 2.336 1.00 0.00 C ATOM 368 O ILE A 26 -10.676 -5.658 2.761 1.00 0.00 O ATOM 369 CB ILE A 26 -8.274 -7.948 3.269 1.00 0.00 C ATOM 370 CG1 ILE A 26 -8.891 -7.589 4.596 1.00 0.00 C ATOM 371 CG2 ILE A 26 -6.860 -7.403 3.195 1.00 0.00 C ATOM 372 CD1 ILE A 26 -8.151 -8.134 5.807 1.00 0.00 C ATOM 0 H ILE A 26 -7.488 -7.411 0.912 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.045 -8.031 2.081 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.226 -9.033 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.942 -6.503 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.916 -7.958 4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.272 -7.804 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.406 -7.698 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.885 -6.315 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.666 -7.826 6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.123 -9.222 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.133 -7.745 5.817 1.00 0.00 H new ATOM 384 N LEU A 27 -8.654 -5.036 1.967 1.00 0.00 N ATOM 385 CA LEU A 27 -8.894 -3.607 2.033 1.00 0.00 C ATOM 386 C LEU A 27 -10.070 -3.258 1.140 1.00 0.00 C ATOM 387 O LEU A 27 -10.976 -2.525 1.534 1.00 0.00 O ATOM 388 CB LEU A 27 -7.595 -2.876 1.636 1.00 0.00 C ATOM 389 CG LEU A 27 -7.660 -1.599 0.779 1.00 0.00 C ATOM 390 CD1 LEU A 27 -8.324 -0.462 1.487 1.00 0.00 C ATOM 391 CD2 LEU A 27 -6.270 -1.194 0.322 1.00 0.00 C ATOM 0 H LEU A 27 -7.729 -5.280 1.612 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.157 -3.289 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.072 -2.621 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.970 -3.592 1.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.273 -1.835 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.342 0.412 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.345 -0.742 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.770 -0.226 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.335 -0.289 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.642 -1.004 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.834 -1.997 -0.272 1.00 0.00 H new ATOM 403 N SER A 28 -10.077 -3.827 -0.032 1.00 0.00 N ATOM 404 CA SER A 28 -11.182 -3.626 -0.939 1.00 0.00 C ATOM 405 C SER A 28 -12.390 -4.456 -0.488 1.00 0.00 C ATOM 406 O SER A 28 -13.527 -4.103 -0.759 1.00 0.00 O ATOM 407 CB SER A 28 -10.768 -3.960 -2.374 1.00 0.00 C ATOM 408 OG SER A 28 -11.830 -3.806 -3.303 1.00 0.00 O ATOM 0 H SER A 28 -9.336 -4.432 -0.385 1.00 0.00 H new ATOM 0 HA SER A 28 -11.472 -2.575 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.939 -3.316 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.404 -4.987 -2.413 1.00 0.00 H new ATOM 0 HG SER A 28 -11.513 -4.030 -4.203 1.00 0.00 H new ATOM 414 N SER A 29 -12.107 -5.569 0.201 1.00 0.00 N ATOM 415 CA SER A 29 -13.103 -6.491 0.764 1.00 0.00 C ATOM 416 C SER A 29 -13.838 -7.294 -0.317 1.00 0.00 C ATOM 417 O SER A 29 -14.707 -8.128 -0.014 1.00 0.00 O ATOM 418 CB SER A 29 -14.079 -5.749 1.670 1.00 0.00 C ATOM 419 OG SER A 29 -13.377 -5.027 2.684 1.00 0.00 O ATOM 0 H SER A 29 -11.148 -5.862 0.388 1.00 0.00 H new ATOM 0 HA SER A 29 -12.561 -7.217 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.682 -5.061 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.766 -6.458 2.131 1.00 0.00 H new ATOM 0 HG SER A 29 -12.434 -5.295 2.684 1.00 0.00 H new ATOM 425 N THR A 30 -13.450 -7.083 -1.561 1.00 0.00 N ATOM 426 CA THR A 30 -14.031 -7.777 -2.683 1.00 0.00 C ATOM 427 C THR A 30 -13.616 -9.248 -2.665 1.00 0.00 C ATOM 428 O THR A 30 -14.358 -10.119 -3.084 1.00 0.00 O ATOM 429 CB THR A 30 -13.661 -7.080 -4.040 1.00 0.00 C ATOM 430 OG1 THR A 30 -14.193 -7.795 -5.160 1.00 0.00 O ATOM 431 CG2 THR A 30 -12.156 -6.941 -4.201 1.00 0.00 C ATOM 0 H THR A 30 -12.718 -6.420 -1.817 1.00 0.00 H new ATOM 0 HA THR A 30 -15.116 -7.733 -2.594 1.00 0.00 H new ATOM 0 HB THR A 30 -14.107 -6.086 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.946 -7.335 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.935 -6.455 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.757 -6.340 -3.384 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.695 -7.929 -4.183 1.00 0.00 H new ATOM 439 N ASN A 31 -12.462 -9.516 -2.084 1.00 0.00 N ATOM 440 CA ASN A 31 -11.952 -10.881 -1.991 1.00 0.00 C ATOM 441 C ASN A 31 -12.338 -11.492 -0.669 1.00 0.00 C ATOM 442 O ASN A 31 -12.005 -12.630 -0.374 1.00 0.00 O ATOM 443 CB ASN A 31 -10.433 -10.930 -2.179 1.00 0.00 C ATOM 444 CG ASN A 31 -9.997 -10.569 -3.581 1.00 0.00 C ATOM 445 OD1 ASN A 31 -9.766 -9.401 -3.895 1.00 0.00 O ATOM 446 ND2 ASN A 31 -9.868 -11.554 -4.423 1.00 0.00 N ATOM 0 H ASN A 31 -11.856 -8.809 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.403 -11.461 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.963 -10.247 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.075 -11.932 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.566 -11.371 -5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.069 -12.509 -4.126 1.00 0.00 H new ATOM 453 N VAL A 32 -13.042 -10.713 0.122 1.00 0.00 N ATOM 454 CA VAL A 32 -13.541 -11.134 1.424 1.00 0.00 C ATOM 455 C VAL A 32 -15.000 -11.563 1.257 1.00 0.00 C ATOM 456 O VAL A 32 -15.570 -12.282 2.091 1.00 0.00 O ATOM 457 CB VAL A 32 -13.444 -9.943 2.441 1.00 0.00 C ATOM 458 CG1 VAL A 32 -13.973 -10.300 3.826 1.00 0.00 C ATOM 459 CG2 VAL A 32 -12.013 -9.464 2.542 1.00 0.00 C ATOM 0 H VAL A 32 -13.291 -9.754 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.947 -11.964 1.808 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.078 -9.145 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.879 -9.437 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.022 -10.588 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.396 -11.131 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.955 -8.637 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.379 -10.281 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.672 -9.128 1.563 1.00 0.00 H new ATOM 469 N GLY A 33 -15.576 -11.161 0.133 1.00 0.00 N ATOM 470 CA GLY A 33 -16.971 -11.413 -0.131 1.00 0.00 C ATOM 471 C GLY A 33 -17.839 -10.412 0.583 1.00 0.00 C ATOM 472 O GLY A 33 -18.978 -10.692 0.938 1.00 0.00 O ATOM 0 H GLY A 33 -15.090 -10.657 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.158 -11.363 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.230 -12.421 0.191 1.00 0.00 H new ATOM 476 N SER A 34 -17.297 -9.236 0.799 1.00 0.00 N ATOM 477 CA SER A 34 -18.000 -8.204 1.510 1.00 0.00 C ATOM 478 C SER A 34 -17.986 -6.917 0.686 1.00 0.00 C ATOM 479 O SER A 34 -18.177 -5.818 1.214 1.00 0.00 O ATOM 480 CB SER A 34 -17.340 -8.005 2.890 1.00 0.00 C ATOM 481 OG SER A 34 -18.065 -7.095 3.712 1.00 0.00 O ATOM 0 H SER A 34 -16.362 -8.973 0.487 1.00 0.00 H new ATOM 0 HA SER A 34 -19.041 -8.488 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.265 -8.967 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.323 -7.637 2.754 1.00 0.00 H new ATOM 0 HG SER A 34 -18.379 -6.342 3.169 1.00 0.00 H new ATOM 487 N ASN A 35 -17.797 -7.071 -0.611 1.00 0.00 N ATOM 488 CA ASN A 35 -17.751 -5.972 -1.535 1.00 0.00 C ATOM 489 C ASN A 35 -17.734 -6.548 -2.922 1.00 0.00 C ATOM 490 O ASN A 35 -16.952 -7.450 -3.205 1.00 0.00 O ATOM 491 CB ASN A 35 -16.519 -5.097 -1.307 1.00 0.00 C ATOM 492 CG ASN A 35 -16.466 -3.919 -2.242 1.00 0.00 C ATOM 493 OD1 ASN A 35 -15.902 -3.997 -3.317 1.00 0.00 O ATOM 494 ND2 ASN A 35 -17.059 -2.837 -1.850 1.00 0.00 N ATOM 0 H ASN A 35 -17.670 -7.982 -1.052 1.00 0.00 H new ATOM 0 HA ASN A 35 -18.622 -5.333 -1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -16.517 -4.739 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.620 -5.700 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.064 -2.012 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -17.522 -2.810 -0.941 1.00 0.00 H new ATOM 501 N THR A 36 -18.586 -6.070 -3.767 1.00 0.00 N ATOM 502 CA THR A 36 -18.718 -6.643 -5.086 1.00 0.00 C ATOM 503 C THR A 36 -18.038 -5.751 -6.153 1.00 0.00 C ATOM 504 O THR A 36 -18.312 -5.861 -7.351 1.00 0.00 O ATOM 505 CB THR A 36 -20.213 -6.801 -5.398 1.00 0.00 C ATOM 506 OG1 THR A 36 -20.899 -7.143 -4.169 1.00 0.00 O ATOM 507 CG2 THR A 36 -20.428 -7.934 -6.375 1.00 0.00 C ATOM 0 H THR A 36 -19.207 -5.283 -3.577 1.00 0.00 H new ATOM 0 HA THR A 36 -18.224 -7.614 -5.109 1.00 0.00 H new ATOM 0 HB THR A 36 -20.590 -5.871 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 36 -21.857 -7.247 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 36 -21.492 -8.035 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 36 -19.892 -7.723 -7.300 1.00 0.00 H new ATOM 0 HG23 THR A 36 -20.055 -8.863 -5.943 1.00 0.00 H new HETATM 515 N TYC A 37 -17.143 -4.895 -5.722 1.00 0.00 N HETATM 516 CA TYC A 37 -16.472 -3.986 -6.626 1.00 0.00 C HETATM 517 C TYC A 37 -14.973 -4.249 -6.631 1.00 0.00 C HETATM 518 O TYC A 37 -14.449 -4.900 -7.527 1.00 0.00 O HETATM 519 CB TYC A 37 -16.782 -2.522 -6.262 1.00 0.00 C HETATM 520 CG TYC A 37 -18.257 -2.176 -6.333 1.00 0.00 C HETATM 521 CD1 TYC A 37 -19.056 -2.223 -5.199 1.00 0.00 C HETATM 522 CD2 TYC A 37 -18.850 -1.821 -7.534 1.00 0.00 C HETATM 523 CE1 TYC A 37 -20.402 -1.922 -5.261 1.00 0.00 C HETATM 524 CE2 TYC A 37 -20.194 -1.515 -7.603 1.00 0.00 C HETATM 525 OH TYC A 37 -22.315 -1.270 -6.524 1.00 0.00 O HETATM 526 CZ TYC A 37 -20.966 -1.570 -6.462 1.00 0.00 C HETATM 527 NXT TYC A 37 -14.282 -3.762 -5.633 1.00 0.00 N HETATM 0 HT22 TYC A 37 -13.274 -3.911 -5.590 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -14.751 -3.233 -4.898 1.00 0.00 H new HETATM 0 HH TYC A 37 -22.557 -1.039 -7.445 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -20.643 -1.231 -8.555 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -21.014 -1.964 -4.360 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -18.245 -1.783 -8.440 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -18.613 -2.502 -4.243 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -16.419 -2.323 -5.254 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -16.231 -1.865 -6.935 1.00 0.00 H new HETATM 0 HA TYC A 37 -16.848 -4.162 -7.634 1.00 0.00 H new TER 539 TYC A 37