USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=13 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+ 134:sc= 0.0197 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= -0.0474 (180deg=-0.255) USER MOD Single : A 3 ASN : amide:sc= -1.01 K(o=-1,f=-0.19) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -142:sc= 1.37 USER MOD Single : A 10 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.4) USER MOD Single : A 14 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.0099) USER MOD Single : A 18 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-0.59) USER MOD Single : A 19 SER OG : rot 164:sc= 0.955 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00356 USER MOD Single : A 21 ASN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.0044) USER MOD Single : A 28 SER OG : rot -34:sc= 0.444 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 31 ASN : amide:sc= -3.65 K(o=-3.7,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.787 4.320 8.876 1.00 0.00 N ATOM 2 CA LYS A 1 10.120 5.284 8.009 1.00 0.00 C ATOM 3 C LYS A 1 11.162 5.990 7.168 1.00 0.00 C ATOM 4 O LYS A 1 12.201 6.396 7.688 1.00 0.00 O ATOM 5 CB LYS A 1 9.344 6.311 8.849 1.00 0.00 C ATOM 6 CG LYS A 1 8.565 7.318 8.020 1.00 0.00 C ATOM 7 CD LYS A 1 7.879 8.362 8.884 1.00 0.00 C ATOM 8 CE LYS A 1 7.118 9.375 8.033 1.00 0.00 C ATOM 9 NZ LYS A 1 8.010 10.104 7.095 1.00 0.00 N ATOM 0 H1 LYS A 1 10.411 4.403 9.842 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.617 3.358 8.520 1.00 0.00 H new ATOM 0 H3 LYS A 1 11.809 4.510 8.885 1.00 0.00 H new ATOM 0 HA LYS A 1 9.413 4.762 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.653 5.782 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.045 6.846 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.241 7.813 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.818 6.795 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.190 7.872 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.622 8.879 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.341 8.861 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.617 10.090 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.510 10.932 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.863 10.417 7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.282 9.474 6.314 1.00 0.00 H new ATOM 25 N CYS A 2 10.911 6.109 5.879 1.00 0.00 N ATOM 26 CA CYS A 2 11.830 6.774 4.985 1.00 0.00 C ATOM 27 C CYS A 2 11.098 7.297 3.770 1.00 0.00 C ATOM 28 O CYS A 2 10.065 6.749 3.387 1.00 0.00 O ATOM 29 CB CYS A 2 12.966 5.847 4.610 1.00 0.00 C ATOM 30 SG CYS A 2 12.444 4.202 4.052 1.00 0.00 S ATOM 0 H CYS A 2 10.070 5.749 5.427 1.00 0.00 H new ATOM 0 HA CYS A 2 12.267 7.632 5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.554 6.315 3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.624 5.732 5.472 1.00 0.00 H new ATOM 35 N ASN A 3 11.634 8.316 3.135 1.00 0.00 N ATOM 36 CA ASN A 3 10.911 8.987 2.059 1.00 0.00 C ATOM 37 C ASN A 3 11.850 9.325 0.896 1.00 0.00 C ATOM 38 O ASN A 3 11.572 10.186 0.070 1.00 0.00 O ATOM 39 CB ASN A 3 10.220 10.257 2.610 1.00 0.00 C ATOM 40 CG ASN A 3 9.208 10.896 1.648 1.00 0.00 C ATOM 41 OD1 ASN A 3 9.017 12.116 1.648 1.00 0.00 O ATOM 42 ND2 ASN A 3 8.516 10.091 0.870 1.00 0.00 N ATOM 0 H ASN A 3 12.557 8.700 3.336 1.00 0.00 H new ATOM 0 HA ASN A 3 10.146 8.314 1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.710 10.004 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.984 10.994 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.803 10.471 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.693 9.087 0.889 1.00 0.00 H new ATOM 49 N THR A 4 12.934 8.611 0.806 1.00 0.00 N ATOM 50 CA THR A 4 13.848 8.808 -0.289 1.00 0.00 C ATOM 51 C THR A 4 13.593 7.726 -1.328 1.00 0.00 C ATOM 52 O THR A 4 13.055 6.656 -0.999 1.00 0.00 O ATOM 53 CB THR A 4 15.342 8.778 0.186 1.00 0.00 C ATOM 54 OG1 THR A 4 16.243 8.993 -0.910 1.00 0.00 O ATOM 55 CG2 THR A 4 15.689 7.466 0.862 1.00 0.00 C ATOM 0 H THR A 4 13.209 7.889 1.472 1.00 0.00 H new ATOM 0 HA THR A 4 13.677 9.794 -0.722 1.00 0.00 H new ATOM 0 HB THR A 4 15.454 9.587 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.167 8.971 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.732 7.484 1.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.049 7.325 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.535 6.644 0.162 1.00 0.00 H new ATOM 63 N ALA A 5 13.999 7.984 -2.550 1.00 0.00 N ATOM 64 CA ALA A 5 13.798 7.090 -3.692 1.00 0.00 C ATOM 65 C ALA A 5 14.537 5.783 -3.500 1.00 0.00 C ATOM 66 O ALA A 5 14.256 4.794 -4.143 1.00 0.00 O ATOM 67 CB ALA A 5 14.246 7.760 -4.976 1.00 0.00 C ATOM 0 H ALA A 5 14.493 8.842 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 5 12.732 6.871 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.089 7.081 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.667 8.670 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.304 8.011 -4.905 1.00 0.00 H new ATOM 73 N THR A 6 15.486 5.801 -2.625 1.00 0.00 N ATOM 74 CA THR A 6 16.255 4.640 -2.311 1.00 0.00 C ATOM 75 C THR A 6 15.548 3.769 -1.235 1.00 0.00 C ATOM 76 O THR A 6 15.860 2.590 -1.059 1.00 0.00 O ATOM 77 CB THR A 6 17.631 5.114 -1.809 1.00 0.00 C ATOM 78 OG1 THR A 6 18.245 5.915 -2.827 1.00 0.00 O ATOM 79 CG2 THR A 6 18.536 3.962 -1.451 1.00 0.00 C ATOM 0 H THR A 6 15.754 6.633 -2.100 1.00 0.00 H new ATOM 0 HA THR A 6 16.366 4.017 -3.198 1.00 0.00 H new ATOM 0 HB THR A 6 17.478 5.697 -0.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.122 6.223 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.494 4.347 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.075 3.368 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.694 3.337 -2.330 1.00 0.00 H new ATOM 87 N CYS A 7 14.548 4.318 -0.581 1.00 0.00 N ATOM 88 CA CYS A 7 14.003 3.633 0.573 1.00 0.00 C ATOM 89 C CYS A 7 12.505 3.502 0.527 1.00 0.00 C ATOM 90 O CYS A 7 11.957 2.466 0.878 1.00 0.00 O ATOM 91 CB CYS A 7 14.357 4.392 1.782 1.00 0.00 C ATOM 92 SG CYS A 7 14.161 3.451 3.323 1.00 0.00 S ATOM 0 H CYS A 7 14.107 5.207 -0.816 1.00 0.00 H new ATOM 0 HA CYS A 7 14.425 2.628 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.391 4.726 1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.737 5.287 1.832 1.00 0.00 H new ATOM 97 N ALA A 8 11.826 4.542 0.088 1.00 0.00 N ATOM 98 CA ALA A 8 10.381 4.526 0.020 1.00 0.00 C ATOM 99 C ALA A 8 9.949 3.504 -1.004 1.00 0.00 C ATOM 100 O ALA A 8 8.855 2.953 -0.948 1.00 0.00 O ATOM 101 CB ALA A 8 9.865 5.893 -0.338 1.00 0.00 C ATOM 0 H ALA A 8 12.255 5.412 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 8 9.968 4.255 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.776 5.870 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.179 6.611 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.265 6.191 -1.307 1.00 0.00 H new ATOM 107 N THR A 9 10.848 3.252 -1.915 1.00 0.00 N ATOM 108 CA THR A 9 10.677 2.257 -2.960 1.00 0.00 C ATOM 109 C THR A 9 10.697 0.847 -2.372 1.00 0.00 C ATOM 110 O THR A 9 10.035 -0.070 -2.846 1.00 0.00 O ATOM 111 CB THR A 9 11.755 2.421 -3.999 1.00 0.00 C ATOM 112 OG1 THR A 9 13.002 2.614 -3.308 1.00 0.00 O ATOM 113 CG2 THR A 9 11.457 3.629 -4.872 1.00 0.00 C ATOM 0 H THR A 9 11.743 3.739 -1.960 1.00 0.00 H new ATOM 0 HA THR A 9 9.707 2.405 -3.435 1.00 0.00 H new ATOM 0 HB THR A 9 11.803 1.540 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.546 3.271 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.242 3.740 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.498 3.490 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.418 4.525 -4.252 1.00 0.00 H new ATOM 121 N GLN A 10 11.453 0.715 -1.316 1.00 0.00 N ATOM 122 CA GLN A 10 11.594 -0.525 -0.582 1.00 0.00 C ATOM 123 C GLN A 10 10.340 -0.724 0.193 1.00 0.00 C ATOM 124 O GLN A 10 9.843 -1.815 0.305 1.00 0.00 O ATOM 125 CB GLN A 10 12.786 -0.481 0.379 1.00 0.00 C ATOM 126 CG GLN A 10 14.081 -0.076 -0.280 1.00 0.00 C ATOM 127 CD GLN A 10 14.491 -0.995 -1.402 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.229 -2.203 -1.380 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.052 -0.426 -2.412 1.00 0.00 N ATOM 0 H GLN A 10 12.003 1.481 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 10 11.771 -1.343 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.565 0.218 1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.912 -1.464 0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.982 0.938 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.871 -0.055 0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.251 0.574 -2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.298 -0.976 -3.235 1.00 0.00 H new ATOM 138 N ARG A 11 9.801 0.379 0.681 1.00 0.00 N ATOM 139 CA ARG A 11 8.529 0.360 1.407 1.00 0.00 C ATOM 140 C ARG A 11 7.447 -0.074 0.448 1.00 0.00 C ATOM 141 O ARG A 11 6.562 -0.828 0.805 1.00 0.00 O ATOM 142 CB ARG A 11 8.164 1.739 1.971 1.00 0.00 C ATOM 143 CG ARG A 11 9.212 2.390 2.857 1.00 0.00 C ATOM 144 CD ARG A 11 9.585 1.509 4.020 1.00 0.00 C ATOM 145 NE ARG A 11 8.415 1.120 4.837 1.00 0.00 N ATOM 146 CZ ARG A 11 8.373 0.097 5.713 1.00 0.00 C ATOM 147 NH1 ARG A 11 9.474 -0.605 5.990 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.226 -0.206 6.320 1.00 0.00 N ATOM 0 H ARG A 11 10.220 1.305 0.591 1.00 0.00 H new ATOM 0 HA ARG A 11 8.624 -0.328 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.955 2.408 1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.241 1.644 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.102 2.609 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.833 3.342 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.078 0.611 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.306 2.031 4.650 1.00 0.00 H new ATOM 0 HE ARG A 11 7.566 1.674 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.357 -0.369 5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.432 -1.378 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.385 0.336 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.189 -0.979 6.984 1.00 0.00 H new ATOM 162 N LEU A 12 7.562 0.396 -0.779 1.00 0.00 N ATOM 163 CA LEU A 12 6.697 0.010 -1.856 1.00 0.00 C ATOM 164 C LEU A 12 6.851 -1.477 -2.135 1.00 0.00 C ATOM 165 O LEU A 12 5.874 -2.187 -2.319 1.00 0.00 O ATOM 166 CB LEU A 12 7.081 0.807 -3.092 1.00 0.00 C ATOM 167 CG LEU A 12 6.690 2.292 -3.125 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.088 2.925 -4.451 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.195 2.473 -2.881 1.00 0.00 C ATOM 0 H LEU A 12 8.277 1.070 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 12 5.659 0.210 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.162 0.741 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.633 0.321 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 12 7.230 2.795 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.802 3.977 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.167 2.842 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.581 2.410 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.947 3.534 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.634 1.948 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.934 2.066 -1.904 1.00 0.00 H new ATOM 181 N ALA A 13 8.080 -1.949 -2.101 1.00 0.00 N ATOM 182 CA ALA A 13 8.369 -3.349 -2.318 1.00 0.00 C ATOM 183 C ALA A 13 7.801 -4.202 -1.176 1.00 0.00 C ATOM 184 O ALA A 13 7.379 -5.331 -1.382 1.00 0.00 O ATOM 185 CB ALA A 13 9.864 -3.579 -2.484 1.00 0.00 C ATOM 0 H ALA A 13 8.903 -1.374 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 13 7.883 -3.657 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.053 -4.640 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.227 -3.011 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.385 -3.251 -1.584 1.00 0.00 H new ATOM 191 N ASN A 14 7.762 -3.617 0.017 1.00 0.00 N ATOM 192 CA ASN A 14 7.210 -4.267 1.228 1.00 0.00 C ATOM 193 C ASN A 14 5.711 -4.150 1.262 1.00 0.00 C ATOM 194 O ASN A 14 5.051 -4.788 2.067 1.00 0.00 O ATOM 195 CB ASN A 14 7.734 -3.624 2.526 1.00 0.00 C ATOM 196 CG ASN A 14 9.192 -3.891 2.863 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.576 -3.897 4.029 1.00 0.00 O ATOM 198 ND2 ASN A 14 10.006 -4.082 1.885 1.00 0.00 N ATOM 0 H ASN A 14 8.111 -2.673 0.185 1.00 0.00 H new ATOM 0 HA ASN A 14 7.527 -5.309 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.590 -2.546 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.120 -3.976 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.996 -4.243 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.661 -4.072 0.925 1.00 0.00 H new ATOM 205 N PHE A 15 5.167 -3.379 0.365 1.00 0.00 N ATOM 206 CA PHE A 15 3.780 -3.077 0.373 1.00 0.00 C ATOM 207 C PHE A 15 3.076 -4.142 -0.385 1.00 0.00 C ATOM 208 O PHE A 15 1.909 -4.433 -0.156 1.00 0.00 O ATOM 209 CB PHE A 15 3.584 -1.655 -0.221 1.00 0.00 C ATOM 210 CG PHE A 15 2.438 -1.471 -1.180 1.00 0.00 C ATOM 211 CD1 PHE A 15 2.651 -1.610 -2.541 1.00 0.00 C ATOM 212 CD2 PHE A 15 1.169 -1.157 -0.734 1.00 0.00 C ATOM 213 CE1 PHE A 15 1.627 -1.446 -3.436 1.00 0.00 C ATOM 214 CE2 PHE A 15 0.132 -0.989 -1.629 1.00 0.00 C ATOM 215 CZ PHE A 15 0.361 -1.132 -2.984 1.00 0.00 C ATOM 0 H PHE A 15 5.686 -2.942 -0.397 1.00 0.00 H new ATOM 0 HA PHE A 15 3.359 -3.061 1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.450 -0.957 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.504 -1.371 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.640 -1.851 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.987 -1.042 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.810 -1.562 -4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.857 -0.746 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.448 -0.999 -3.687 1.00 0.00 H new ATOM 225 N LEU A 16 3.818 -4.777 -1.246 1.00 0.00 N ATOM 226 CA LEU A 16 3.282 -5.761 -2.060 1.00 0.00 C ATOM 227 C LEU A 16 4.118 -7.047 -1.973 1.00 0.00 C ATOM 228 O LEU A 16 3.982 -7.950 -2.786 1.00 0.00 O ATOM 229 CB LEU A 16 3.217 -5.198 -3.467 1.00 0.00 C ATOM 230 CG LEU A 16 4.344 -5.494 -4.487 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.912 -5.054 -5.873 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.616 -4.777 -4.119 1.00 0.00 C ATOM 0 H LEU A 16 4.814 -4.606 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 16 2.277 -6.038 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.284 -5.546 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.142 -4.114 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 16 4.532 -6.568 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.709 -5.265 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.012 -5.597 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.704 -3.984 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.388 -5.005 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.436 -3.702 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.946 -5.104 -3.133 1.00 0.00 H new ATOM 244 N VAL A 17 4.927 -7.132 -0.932 1.00 0.00 N ATOM 245 CA VAL A 17 5.900 -8.212 -0.787 1.00 0.00 C ATOM 246 C VAL A 17 5.253 -9.592 -0.618 1.00 0.00 C ATOM 247 O VAL A 17 5.451 -10.483 -1.430 1.00 0.00 O ATOM 248 CB VAL A 17 6.975 -7.898 0.306 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.412 -7.798 1.719 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.143 -8.848 0.228 1.00 0.00 C ATOM 0 H VAL A 17 4.932 -6.460 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 17 6.436 -8.265 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 17 7.343 -6.898 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.219 -7.578 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.670 -7.000 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.943 -8.744 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.868 -8.598 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.792 -9.869 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.615 -8.765 -0.751 1.00 0.00 H new ATOM 260 N HIS A 18 4.495 -9.763 0.418 1.00 0.00 N ATOM 261 CA HIS A 18 3.772 -11.009 0.640 1.00 0.00 C ATOM 262 C HIS A 18 2.330 -10.692 0.707 1.00 0.00 C ATOM 263 O HIS A 18 1.485 -11.575 0.864 1.00 0.00 O ATOM 264 CB HIS A 18 4.203 -11.728 1.931 1.00 0.00 C ATOM 265 CG HIS A 18 5.589 -12.274 1.907 1.00 0.00 C ATOM 266 ND1 HIS A 18 5.900 -13.598 2.110 1.00 0.00 N ATOM 267 CD2 HIS A 18 6.737 -11.653 1.717 1.00 0.00 C ATOM 268 CE1 HIS A 18 7.201 -13.753 2.045 1.00 0.00 C ATOM 269 NE2 HIS A 18 7.740 -12.580 1.804 1.00 0.00 N ATOM 0 H HIS A 18 4.349 -9.057 1.140 1.00 0.00 H new ATOM 0 HA HIS A 18 3.997 -11.687 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.116 -11.031 2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.508 -12.545 2.125 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.863 -10.598 1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.736 -14.683 2.168 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.737 -12.392 1.699 1.00 0.00 H new ATOM 278 N SER A 19 2.046 -9.412 0.495 1.00 0.00 N ATOM 279 CA SER A 19 0.727 -8.876 0.580 1.00 0.00 C ATOM 280 C SER A 19 -0.162 -9.455 -0.503 1.00 0.00 C ATOM 281 O SER A 19 -1.372 -9.453 -0.379 1.00 0.00 O ATOM 282 CB SER A 19 0.783 -7.379 0.415 1.00 0.00 C ATOM 283 OG SER A 19 1.777 -6.802 1.248 1.00 0.00 O ATOM 0 H SER A 19 2.754 -8.718 0.255 1.00 0.00 H new ATOM 0 HA SER A 19 0.313 -9.136 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.992 -7.134 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.189 -6.949 0.655 1.00 0.00 H new ATOM 0 HG SER A 19 1.974 -5.893 0.940 1.00 0.00 H new ATOM 289 N SER A 20 0.474 -10.041 -1.523 1.00 0.00 N ATOM 290 CA SER A 20 -0.166 -10.599 -2.728 1.00 0.00 C ATOM 291 C SER A 20 -1.124 -11.775 -2.402 1.00 0.00 C ATOM 292 O SER A 20 -1.754 -12.356 -3.285 1.00 0.00 O ATOM 293 CB SER A 20 0.946 -11.083 -3.652 1.00 0.00 C ATOM 294 OG SER A 20 1.937 -10.067 -3.817 1.00 0.00 O ATOM 0 H SER A 20 1.489 -10.146 -1.536 1.00 0.00 H new ATOM 0 HA SER A 20 -0.773 -9.824 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.404 -11.982 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.529 -11.354 -4.622 1.00 0.00 H new ATOM 0 HG SER A 20 2.645 -10.394 -4.411 1.00 0.00 H new ATOM 300 N ASN A 21 -1.239 -12.070 -1.144 1.00 0.00 N ATOM 301 CA ASN A 21 -2.067 -13.149 -0.642 1.00 0.00 C ATOM 302 C ASN A 21 -3.366 -12.599 -0.104 1.00 0.00 C ATOM 303 O ASN A 21 -4.238 -13.326 0.343 1.00 0.00 O ATOM 304 CB ASN A 21 -1.328 -13.926 0.432 1.00 0.00 C ATOM 305 CG ASN A 21 -0.257 -14.826 -0.122 1.00 0.00 C ATOM 306 OD1 ASN A 21 -0.515 -15.986 -0.477 1.00 0.00 O ATOM 307 ND2 ASN A 21 0.956 -14.330 -0.174 1.00 0.00 N ATOM 0 H ASN A 21 -0.750 -11.559 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.293 -13.831 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.877 -13.225 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.043 -14.526 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.727 -14.903 -0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.128 -13.371 0.127 1.00 0.00 H new ATOM 314 N ASN A 22 -3.465 -11.304 -0.121 1.00 0.00 N ATOM 315 CA ASN A 22 -4.652 -10.567 0.236 1.00 0.00 C ATOM 316 C ASN A 22 -4.939 -9.639 -0.894 1.00 0.00 C ATOM 317 O ASN A 22 -6.055 -9.582 -1.428 1.00 0.00 O ATOM 318 CB ASN A 22 -4.424 -9.814 1.545 1.00 0.00 C ATOM 319 CG ASN A 22 -4.843 -10.597 2.782 1.00 0.00 C ATOM 320 OD1 ASN A 22 -5.148 -10.010 3.823 1.00 0.00 O ATOM 321 ND2 ASN A 22 -4.894 -11.907 2.683 1.00 0.00 N ATOM 0 H ASN A 22 -2.690 -10.701 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.504 -11.228 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.368 -9.559 1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.977 -8.875 1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.192 -12.468 3.481 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.635 -12.363 1.808 1.00 0.00 H new ATOM 328 N PHE A 23 -3.891 -8.986 -1.294 1.00 0.00 N ATOM 329 CA PHE A 23 -3.819 -8.099 -2.426 1.00 0.00 C ATOM 330 C PHE A 23 -4.287 -8.770 -3.679 1.00 0.00 C ATOM 331 O PHE A 23 -3.571 -9.544 -4.317 1.00 0.00 O ATOM 332 CB PHE A 23 -2.405 -7.590 -2.541 1.00 0.00 C ATOM 333 CG PHE A 23 -2.129 -6.394 -1.686 1.00 0.00 C ATOM 334 CD1 PHE A 23 -1.625 -5.232 -2.228 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.401 -6.431 -0.330 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.393 -4.134 -1.430 1.00 0.00 C ATOM 337 CE2 PHE A 23 -2.172 -5.352 0.470 1.00 0.00 C ATOM 338 CZ PHE A 23 -1.665 -4.194 -0.075 1.00 0.00 C ATOM 0 H PHE A 23 -2.998 -9.061 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.489 -7.252 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.716 -8.389 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.202 -7.337 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.411 -5.182 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.803 -7.334 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.999 -3.226 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.387 -5.405 1.527 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.480 -3.335 0.553 1.00 0.00 H new ATOM 348 N GLY A 24 -5.522 -8.505 -3.960 1.00 0.00 N ATOM 349 CA GLY A 24 -6.230 -9.090 -5.070 1.00 0.00 C ATOM 350 C GLY A 24 -6.341 -10.574 -4.954 1.00 0.00 C ATOM 351 O GLY A 24 -6.253 -11.296 -5.924 1.00 0.00 O ATOM 0 H GLY A 24 -6.089 -7.858 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.229 -8.657 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.717 -8.838 -5.998 1.00 0.00 H new ATOM 355 N ALA A 25 -6.530 -11.018 -3.755 1.00 0.00 N ATOM 356 CA ALA A 25 -6.761 -12.390 -3.480 1.00 0.00 C ATOM 357 C ALA A 25 -8.177 -12.470 -3.080 1.00 0.00 C ATOM 358 O ALA A 25 -8.998 -13.156 -3.684 1.00 0.00 O ATOM 359 CB ALA A 25 -5.856 -12.844 -2.366 1.00 0.00 C ATOM 0 H ALA A 25 -6.527 -10.423 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.555 -13.031 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.036 -13.899 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.816 -12.705 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.059 -12.257 -1.470 1.00 0.00 H new ATOM 365 N ILE A 26 -8.461 -11.677 -2.105 1.00 0.00 N ATOM 366 CA ILE A 26 -9.760 -11.469 -1.621 1.00 0.00 C ATOM 367 C ILE A 26 -10.425 -10.409 -2.496 1.00 0.00 C ATOM 368 O ILE A 26 -11.584 -10.534 -2.881 1.00 0.00 O ATOM 369 CB ILE A 26 -9.728 -11.051 -0.118 1.00 0.00 C ATOM 370 CG1 ILE A 26 -11.062 -10.477 0.312 1.00 0.00 C ATOM 371 CG2 ILE A 26 -8.587 -10.067 0.166 1.00 0.00 C ATOM 372 CD1 ILE A 26 -11.145 -10.102 1.782 1.00 0.00 C ATOM 0 H ILE A 26 -7.753 -11.136 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.340 -12.391 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.541 -11.949 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.272 -9.591 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.844 -11.204 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.594 -9.797 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.634 -10.533 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.721 -9.170 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.135 -9.700 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.970 -10.987 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.390 -9.349 2.009 1.00 0.00 H new ATOM 384 N LEU A 27 -9.624 -9.423 -2.883 1.00 0.00 N ATOM 385 CA LEU A 27 -10.049 -8.326 -3.727 1.00 0.00 C ATOM 386 C LEU A 27 -10.450 -8.835 -5.097 1.00 0.00 C ATOM 387 O LEU A 27 -11.464 -8.438 -5.647 1.00 0.00 O ATOM 388 CB LEU A 27 -8.891 -7.302 -3.783 1.00 0.00 C ATOM 389 CG LEU A 27 -8.585 -6.546 -5.102 1.00 0.00 C ATOM 390 CD1 LEU A 27 -9.716 -5.682 -5.559 1.00 0.00 C ATOM 391 CD2 LEU A 27 -7.333 -5.713 -4.948 1.00 0.00 C ATOM 0 H LEU A 27 -8.643 -9.368 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.933 -7.835 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.085 -6.551 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.981 -7.826 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.436 -7.306 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.439 -5.181 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.599 -6.298 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.936 -4.936 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.129 -5.187 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.475 -4.988 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.492 -6.362 -4.706 1.00 0.00 H new ATOM 403 N SER A 28 -9.689 -9.744 -5.607 1.00 0.00 N ATOM 404 CA SER A 28 -9.961 -10.252 -6.936 1.00 0.00 C ATOM 405 C SER A 28 -10.837 -11.516 -6.890 1.00 0.00 C ATOM 406 O SER A 28 -11.165 -12.085 -7.945 1.00 0.00 O ATOM 407 CB SER A 28 -8.653 -10.502 -7.705 1.00 0.00 C ATOM 408 OG SER A 28 -8.888 -10.813 -9.072 1.00 0.00 O ATOM 0 H SER A 28 -8.880 -10.155 -5.141 1.00 0.00 H new ATOM 0 HA SER A 28 -10.525 -9.490 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.019 -9.618 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.108 -11.321 -7.236 1.00 0.00 H new ATOM 0 HG SER A 28 -9.722 -11.321 -9.153 1.00 0.00 H new ATOM 414 N SER A 29 -11.210 -11.947 -5.669 1.00 0.00 N ATOM 415 CA SER A 29 -12.057 -13.132 -5.455 1.00 0.00 C ATOM 416 C SER A 29 -11.476 -14.388 -6.155 1.00 0.00 C ATOM 417 O SER A 29 -12.209 -15.247 -6.668 1.00 0.00 O ATOM 418 CB SER A 29 -13.471 -12.824 -5.950 1.00 0.00 C ATOM 419 OG SER A 29 -14.016 -11.697 -5.251 1.00 0.00 O ATOM 0 H SER A 29 -10.931 -11.482 -4.805 1.00 0.00 H new ATOM 0 HA SER A 29 -12.086 -13.359 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.451 -12.620 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.111 -13.694 -5.803 1.00 0.00 H new ATOM 0 HG SER A 29 -14.920 -11.513 -5.581 1.00 0.00 H new ATOM 425 N THR A 30 -10.168 -14.511 -6.119 1.00 0.00 N ATOM 426 CA THR A 30 -9.468 -15.581 -6.787 1.00 0.00 C ATOM 427 C THR A 30 -8.997 -16.636 -5.815 1.00 0.00 C ATOM 428 O THR A 30 -8.245 -17.541 -6.159 1.00 0.00 O ATOM 429 CB THR A 30 -8.288 -14.998 -7.545 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.604 -14.060 -6.691 1.00 0.00 O ATOM 431 CG2 THR A 30 -8.786 -14.300 -8.775 1.00 0.00 C ATOM 0 H THR A 30 -9.556 -13.865 -5.620 1.00 0.00 H new ATOM 0 HA THR A 30 -10.156 -16.067 -7.479 1.00 0.00 H new ATOM 0 HB THR A 30 -7.601 -15.791 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.839 -13.679 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.942 -13.880 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.312 -15.013 -9.410 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.467 -13.499 -8.488 1.00 0.00 H new ATOM 439 N ASN A 31 -9.449 -16.533 -4.606 1.00 0.00 N ATOM 440 CA ASN A 31 -9.025 -17.473 -3.567 1.00 0.00 C ATOM 441 C ASN A 31 -10.033 -18.560 -3.315 1.00 0.00 C ATOM 442 O ASN A 31 -9.827 -19.420 -2.466 1.00 0.00 O ATOM 443 CB ASN A 31 -8.624 -16.766 -2.266 1.00 0.00 C ATOM 444 CG ASN A 31 -7.233 -16.150 -2.321 1.00 0.00 C ATOM 445 OD1 ASN A 31 -6.564 -16.023 -1.303 1.00 0.00 O ATOM 446 ND2 ASN A 31 -6.773 -15.785 -3.499 1.00 0.00 N ATOM 0 H ASN A 31 -10.108 -15.819 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.131 -17.959 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.352 -15.985 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.665 -17.481 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.838 -15.385 -3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.351 -15.902 -4.331 1.00 0.00 H new ATOM 453 N VAL A 32 -11.105 -18.553 -4.069 1.00 0.00 N ATOM 454 CA VAL A 32 -12.123 -19.583 -3.939 1.00 0.00 C ATOM 455 C VAL A 32 -11.636 -20.822 -4.693 1.00 0.00 C ATOM 456 O VAL A 32 -11.939 -21.958 -4.336 1.00 0.00 O ATOM 457 CB VAL A 32 -13.484 -19.128 -4.535 1.00 0.00 C ATOM 458 CG1 VAL A 32 -14.613 -20.079 -4.167 1.00 0.00 C ATOM 459 CG2 VAL A 32 -13.815 -17.697 -4.148 1.00 0.00 C ATOM 0 H VAL A 32 -11.301 -17.849 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.279 -19.793 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.380 -19.158 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.546 -19.723 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.390 -21.075 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.714 -20.122 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.774 -17.415 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.872 -17.618 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.037 -17.030 -4.520 1.00 0.00 H new ATOM 469 N GLY A 33 -10.858 -20.581 -5.727 1.00 0.00 N ATOM 470 CA GLY A 33 -10.300 -21.652 -6.500 1.00 0.00 C ATOM 471 C GLY A 33 -10.197 -21.285 -7.952 1.00 0.00 C ATOM 472 O GLY A 33 -9.342 -21.814 -8.676 1.00 0.00 O ATOM 0 H GLY A 33 -10.601 -19.647 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.311 -21.903 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.920 -22.542 -6.391 1.00 0.00 H new ATOM 476 N SER A 34 -11.090 -20.389 -8.383 1.00 0.00 N ATOM 477 CA SER A 34 -11.159 -19.894 -9.761 1.00 0.00 C ATOM 478 C SER A 34 -11.447 -21.038 -10.727 1.00 0.00 C ATOM 479 O SER A 34 -11.031 -21.036 -11.891 1.00 0.00 O ATOM 480 CB SER A 34 -9.865 -19.177 -10.124 1.00 0.00 C ATOM 481 OG SER A 34 -9.618 -18.084 -9.232 1.00 0.00 O ATOM 0 H SER A 34 -11.798 -19.980 -7.773 1.00 0.00 H new ATOM 0 HA SER A 34 -11.978 -19.179 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.032 -19.879 -10.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.923 -18.809 -11.148 1.00 0.00 H new ATOM 0 HG SER A 34 -8.781 -17.640 -9.483 1.00 0.00 H new ATOM 487 N ASN A 35 -12.209 -21.977 -10.243 1.00 0.00 N ATOM 488 CA ASN A 35 -12.544 -23.164 -10.977 1.00 0.00 C ATOM 489 C ASN A 35 -13.652 -22.864 -11.952 1.00 0.00 C ATOM 490 O ASN A 35 -14.832 -22.838 -11.604 1.00 0.00 O ATOM 491 CB ASN A 35 -12.931 -24.319 -10.038 1.00 0.00 C ATOM 492 CG ASN A 35 -13.217 -25.629 -10.785 1.00 0.00 C ATOM 493 OD1 ASN A 35 -14.347 -25.906 -11.177 1.00 0.00 O ATOM 494 ND2 ASN A 35 -12.207 -26.432 -10.983 1.00 0.00 N ATOM 0 H ASN A 35 -12.622 -21.939 -9.311 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.663 -23.486 -11.532 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.125 -24.484 -9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.813 -24.034 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.346 -27.315 -11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.279 -26.176 -10.646 1.00 0.00 H new ATOM 501 N THR A 36 -13.249 -22.537 -13.132 1.00 0.00 N ATOM 502 CA THR A 36 -14.142 -22.267 -14.236 1.00 0.00 C ATOM 503 C THR A 36 -14.409 -23.554 -15.011 1.00 0.00 C ATOM 504 O THR A 36 -15.210 -23.597 -15.953 1.00 0.00 O ATOM 505 CB THR A 36 -13.484 -21.238 -15.164 1.00 0.00 C ATOM 506 OG1 THR A 36 -12.149 -21.696 -15.477 1.00 0.00 O ATOM 507 CG2 THR A 36 -13.399 -19.871 -14.495 1.00 0.00 C ATOM 0 H THR A 36 -12.263 -22.444 -13.375 1.00 0.00 H new ATOM 0 HA THR A 36 -15.087 -21.877 -13.858 1.00 0.00 H new ATOM 0 HB THR A 36 -14.085 -21.139 -16.068 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.713 -21.051 -16.072 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.928 -19.161 -15.176 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.402 -19.525 -14.246 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.806 -19.948 -13.584 1.00 0.00 H new HETATM 515 N TYC A 37 -13.751 -24.587 -14.569 1.00 0.00 N HETATM 516 CA TYC A 37 -13.761 -25.885 -15.201 1.00 0.00 C HETATM 517 C TYC A 37 -15.061 -26.601 -14.916 1.00 0.00 C HETATM 518 O TYC A 37 -15.249 -27.167 -13.847 1.00 0.00 O HETATM 519 CB TYC A 37 -12.566 -26.720 -14.718 1.00 0.00 C HETATM 520 CG TYC A 37 -11.217 -26.065 -14.964 1.00 0.00 C HETATM 521 CD1 TYC A 37 -10.602 -25.304 -13.976 1.00 0.00 C HETATM 522 CD2 TYC A 37 -10.564 -26.206 -16.180 1.00 0.00 C HETATM 523 CE1 TYC A 37 -9.381 -24.701 -14.195 1.00 0.00 C HETATM 524 CE2 TYC A 37 -9.339 -25.606 -16.406 1.00 0.00 C HETATM 525 OH TYC A 37 -7.532 -24.252 -15.628 1.00 0.00 O HETATM 526 CZ TYC A 37 -8.753 -24.856 -15.408 1.00 0.00 C HETATM 527 NXT TYC A 37 -15.963 -26.539 -15.846 1.00 0.00 N HETATM 0 HT22 TYC A 37 -16.863 -27.001 -15.715 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -15.773 -26.028 -16.708 1.00 0.00 H new HETATM 0 HH TYC A 37 -7.222 -24.461 -16.534 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -8.839 -25.725 -17.367 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -8.916 -24.104 -13.410 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -11.024 -26.799 -16.970 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -11.094 -25.182 -13.011 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -12.677 -26.911 -13.651 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -12.586 -27.688 -15.219 1.00 0.00 H new HETATM 0 HA TYC A 37 -13.675 -25.749 -16.279 1.00 0.00 H new TER 539 TYC A 37