USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=12 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 Set 1.1: A 30 THR OG1 : rot 180:sc= -0.275 USER MOD Set 1.2: A 35 ASN : amide:sc= -0.0262 K(o=-0.3,f=-2.6!) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.908 K(o=-0.91,f=-0.18) USER MOD Set 2.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 9 THR OG1 : rot -146:sc= 1.34 USER MOD Set 3.2: A 10 GLN : amide:sc= -0.0266 X(o=1.3,f=0.86) USER MOD Single : A 1 LYS N :NH3+ -119:sc= 0.168 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.12) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.0032) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 22 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.1) USER MOD Single : A 28 SER OG : rot 180:sc= -0.381 USER MOD Single : A 29 SER OG : rot -4:sc= 1.14 USER MOD Single : A 31 ASN : amide:sc= -0.233 K(o=-0.23,f=-3.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 170:sc= 0.0484 USER MOD Single : A 37 TYC OH : rot 53:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.312 7.211 9.405 1.00 0.00 N ATOM 2 CA LYS A 1 10.229 6.489 8.142 1.00 0.00 C ATOM 3 C LYS A 1 11.360 6.956 7.244 1.00 0.00 C ATOM 4 O LYS A 1 12.240 7.711 7.682 1.00 0.00 O ATOM 5 CB LYS A 1 8.874 6.766 7.432 1.00 0.00 C ATOM 6 CG LYS A 1 8.664 8.232 7.029 1.00 0.00 C ATOM 7 CD LYS A 1 7.435 8.428 6.144 1.00 0.00 C ATOM 8 CE LYS A 1 6.143 8.096 6.867 1.00 0.00 C ATOM 9 NZ LYS A 1 4.964 8.358 6.021 1.00 0.00 N ATOM 0 H1 LYS A 1 10.456 6.535 10.182 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.111 7.876 9.373 1.00 0.00 H new ATOM 0 H3 LYS A 1 9.429 7.737 9.563 1.00 0.00 H new ATOM 0 HA LYS A 1 10.305 5.420 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.810 6.143 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.062 6.462 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.561 8.841 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.548 8.590 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.400 9.461 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.524 7.799 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.152 7.048 7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.074 8.687 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.099 8.120 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.943 9.364 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.017 7.775 5.161 1.00 0.00 H new ATOM 25 N CYS A 2 11.344 6.519 6.017 1.00 0.00 N ATOM 26 CA CYS A 2 12.246 7.011 5.032 1.00 0.00 C ATOM 27 C CYS A 2 11.434 7.454 3.846 1.00 0.00 C ATOM 28 O CYS A 2 10.344 6.922 3.606 1.00 0.00 O ATOM 29 CB CYS A 2 13.299 5.974 4.660 1.00 0.00 C ATOM 30 SG CYS A 2 12.675 4.342 4.178 1.00 0.00 S ATOM 0 H CYS A 2 10.698 5.807 5.676 1.00 0.00 H new ATOM 0 HA CYS A 2 12.805 7.859 5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.895 6.370 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.971 5.847 5.509 1.00 0.00 H new ATOM 35 N ASN A 3 11.929 8.410 3.114 1.00 0.00 N ATOM 36 CA ASN A 3 11.124 9.034 2.084 1.00 0.00 C ATOM 37 C ASN A 3 11.971 9.333 0.852 1.00 0.00 C ATOM 38 O ASN A 3 11.612 10.119 -0.006 1.00 0.00 O ATOM 39 CB ASN A 3 10.471 10.309 2.674 1.00 0.00 C ATOM 40 CG ASN A 3 9.389 10.927 1.799 1.00 0.00 C ATOM 41 OD1 ASN A 3 8.224 10.520 1.856 1.00 0.00 O ATOM 42 ND2 ASN A 3 9.735 11.928 1.045 1.00 0.00 N ATOM 0 H ASN A 3 12.876 8.777 3.203 1.00 0.00 H new ATOM 0 HA ASN A 3 10.333 8.359 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.040 10.065 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.249 11.053 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.035 12.404 0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.707 12.238 1.023 1.00 0.00 H new ATOM 49 N THR A 4 13.057 8.639 0.727 1.00 0.00 N ATOM 50 CA THR A 4 13.891 8.822 -0.420 1.00 0.00 C ATOM 51 C THR A 4 13.587 7.717 -1.412 1.00 0.00 C ATOM 52 O THR A 4 13.075 6.653 -1.030 1.00 0.00 O ATOM 53 CB THR A 4 15.414 8.817 -0.055 1.00 0.00 C ATOM 54 OG1 THR A 4 16.206 8.999 -1.232 1.00 0.00 O ATOM 55 CG2 THR A 4 15.829 7.512 0.612 1.00 0.00 C ATOM 0 H THR A 4 13.386 7.945 1.398 1.00 0.00 H new ATOM 0 HA THR A 4 13.677 9.799 -0.853 1.00 0.00 H new ATOM 0 HB THR A 4 15.579 9.638 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.156 8.996 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.892 7.547 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.256 7.374 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.636 6.680 -0.065 1.00 0.00 H new ATOM 63 N ALA A 5 13.947 7.944 -2.650 1.00 0.00 N ATOM 64 CA ALA A 5 13.688 7.031 -3.763 1.00 0.00 C ATOM 65 C ALA A 5 14.440 5.727 -3.575 1.00 0.00 C ATOM 66 O ALA A 5 14.134 4.727 -4.178 1.00 0.00 O ATOM 67 CB ALA A 5 14.068 7.683 -5.080 1.00 0.00 C ATOM 0 H ALA A 5 14.443 8.790 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 5 12.622 6.807 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.870 6.992 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.480 8.590 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.128 7.937 -5.068 1.00 0.00 H new ATOM 73 N THR A 6 15.431 5.763 -2.744 1.00 0.00 N ATOM 74 CA THR A 6 16.215 4.609 -2.432 1.00 0.00 C ATOM 75 C THR A 6 15.541 3.749 -1.316 1.00 0.00 C ATOM 76 O THR A 6 15.873 2.576 -1.126 1.00 0.00 O ATOM 77 CB THR A 6 17.588 5.103 -1.951 1.00 0.00 C ATOM 78 OG1 THR A 6 18.151 5.961 -2.957 1.00 0.00 O ATOM 79 CG2 THR A 6 18.531 3.955 -1.659 1.00 0.00 C ATOM 0 H THR A 6 15.724 6.608 -2.254 1.00 0.00 H new ATOM 0 HA THR A 6 16.309 3.978 -3.316 1.00 0.00 H new ATOM 0 HB THR A 6 17.451 5.651 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.027 6.283 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.490 4.349 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.104 3.323 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.679 3.366 -2.564 1.00 0.00 H new ATOM 87 N CYS A 7 14.559 4.304 -0.636 1.00 0.00 N ATOM 88 CA CYS A 7 14.052 3.642 0.553 1.00 0.00 C ATOM 89 C CYS A 7 12.554 3.533 0.570 1.00 0.00 C ATOM 90 O CYS A 7 12.002 2.499 0.926 1.00 0.00 O ATOM 91 CB CYS A 7 14.463 4.424 1.739 1.00 0.00 C ATOM 92 SG CYS A 7 14.303 3.512 3.313 1.00 0.00 S ATOM 0 H CYS A 7 14.105 5.186 -0.874 1.00 0.00 H new ATOM 0 HA CYS A 7 14.462 2.632 0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.500 4.737 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.860 5.331 1.792 1.00 0.00 H new ATOM 97 N ALA A 8 11.879 4.590 0.181 1.00 0.00 N ATOM 98 CA ALA A 8 10.437 4.607 0.194 1.00 0.00 C ATOM 99 C ALA A 8 9.916 3.613 -0.832 1.00 0.00 C ATOM 100 O ALA A 8 8.793 3.115 -0.749 1.00 0.00 O ATOM 101 CB ALA A 8 9.935 5.998 -0.091 1.00 0.00 C ATOM 0 H ALA A 8 12.310 5.453 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 8 10.072 4.316 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.845 6.001 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.308 6.683 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.288 6.319 -1.071 1.00 0.00 H new ATOM 107 N THR A 9 10.771 3.328 -1.786 1.00 0.00 N ATOM 108 CA THR A 9 10.531 2.339 -2.824 1.00 0.00 C ATOM 109 C THR A 9 10.520 0.930 -2.243 1.00 0.00 C ATOM 110 O THR A 9 9.857 0.027 -2.732 1.00 0.00 O ATOM 111 CB THR A 9 11.593 2.453 -3.879 1.00 0.00 C ATOM 112 OG1 THR A 9 12.858 2.647 -3.208 1.00 0.00 O ATOM 113 CG2 THR A 9 11.299 3.621 -4.799 1.00 0.00 C ATOM 0 H THR A 9 11.678 3.787 -1.868 1.00 0.00 H new ATOM 0 HA THR A 9 9.554 2.529 -3.267 1.00 0.00 H new ATOM 0 HB THR A 9 11.621 1.550 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.427 3.235 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.078 3.691 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.334 3.470 -5.282 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.274 4.544 -4.219 1.00 0.00 H new ATOM 121 N GLN A 10 11.294 0.772 -1.215 1.00 0.00 N ATOM 122 CA GLN A 10 11.438 -0.472 -0.496 1.00 0.00 C ATOM 123 C GLN A 10 10.212 -0.677 0.343 1.00 0.00 C ATOM 124 O GLN A 10 9.769 -1.788 0.552 1.00 0.00 O ATOM 125 CB GLN A 10 12.695 -0.459 0.370 1.00 0.00 C ATOM 126 CG GLN A 10 13.930 -0.001 -0.381 1.00 0.00 C ATOM 127 CD GLN A 10 14.199 -0.787 -1.646 1.00 0.00 C ATOM 128 OE1 GLN A 10 13.911 -1.984 -1.743 1.00 0.00 O ATOM 129 NE2 GLN A 10 14.683 -0.112 -2.632 1.00 0.00 N ATOM 0 H GLN A 10 11.866 1.526 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 10 11.543 -1.296 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.533 0.197 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.868 -1.460 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.820 1.053 -0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.795 -0.081 0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.908 0.876 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.841 -0.566 -3.532 1.00 0.00 H new ATOM 138 N ARG A 11 9.640 0.429 0.791 1.00 0.00 N ATOM 139 CA ARG A 11 8.383 0.391 1.544 1.00 0.00 C ATOM 140 C ARG A 11 7.303 -0.057 0.608 1.00 0.00 C ATOM 141 O ARG A 11 6.438 -0.846 0.963 1.00 0.00 O ATOM 142 CB ARG A 11 8.031 1.757 2.129 1.00 0.00 C ATOM 143 CG ARG A 11 9.138 2.395 2.960 1.00 0.00 C ATOM 144 CD ARG A 11 9.625 1.463 4.044 1.00 0.00 C ATOM 145 NE ARG A 11 8.546 1.044 4.943 1.00 0.00 N ATOM 146 CZ ARG A 11 8.495 -0.120 5.592 1.00 0.00 C ATOM 147 NH1 ARG A 11 9.473 -1.013 5.453 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.453 -0.386 6.368 1.00 0.00 N ATOM 0 H ARG A 11 10.020 1.365 0.650 1.00 0.00 H new ATOM 0 HA ARG A 11 8.487 -0.298 2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.773 2.432 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.142 1.653 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.971 2.666 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.771 3.317 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.077 0.583 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.405 1.958 4.622 1.00 0.00 H new ATOM 0 HE ARG A 11 7.773 1.694 5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.268 -0.809 4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.427 -1.901 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.701 0.296 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.404 -1.273 6.869 1.00 0.00 H new ATOM 162 N LEU A 12 7.407 0.425 -0.611 1.00 0.00 N ATOM 163 CA LEU A 12 6.565 0.024 -1.695 1.00 0.00 C ATOM 164 C LEU A 12 6.776 -1.454 -1.986 1.00 0.00 C ATOM 165 O LEU A 12 5.841 -2.188 -2.230 1.00 0.00 O ATOM 166 CB LEU A 12 6.929 0.856 -2.908 1.00 0.00 C ATOM 167 CG LEU A 12 6.542 2.334 -2.873 1.00 0.00 C ATOM 168 CD1 LEU A 12 6.911 3.016 -4.177 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.055 2.506 -2.580 1.00 0.00 C ATOM 0 H LEU A 12 8.101 1.125 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 12 5.516 0.178 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.007 0.791 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.462 0.403 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 12 7.101 2.807 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.627 4.067 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.986 2.937 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.385 2.534 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.808 3.568 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.472 2.012 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.821 2.062 -1.612 1.00 0.00 H new ATOM 181 N ALA A 13 8.016 -1.886 -1.890 1.00 0.00 N ATOM 182 CA ALA A 13 8.371 -3.264 -2.105 1.00 0.00 C ATOM 183 C ALA A 13 7.760 -4.152 -1.016 1.00 0.00 C ATOM 184 O ALA A 13 7.467 -5.320 -1.240 1.00 0.00 O ATOM 185 CB ALA A 13 9.884 -3.427 -2.173 1.00 0.00 C ATOM 0 H ALA A 13 8.807 -1.284 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 13 7.962 -3.583 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.130 -4.476 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.278 -2.830 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.329 -3.091 -1.236 1.00 0.00 H new ATOM 191 N ASN A 14 7.566 -3.582 0.163 1.00 0.00 N ATOM 192 CA ASN A 14 6.928 -4.298 1.279 1.00 0.00 C ATOM 193 C ASN A 14 5.430 -4.269 1.152 1.00 0.00 C ATOM 194 O ASN A 14 4.729 -5.024 1.810 1.00 0.00 O ATOM 195 CB ASN A 14 7.314 -3.744 2.660 1.00 0.00 C ATOM 196 CG ASN A 14 8.732 -4.044 3.096 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.006 -4.192 4.284 1.00 0.00 O ATOM 198 ND2 ASN A 14 9.627 -4.110 2.179 1.00 0.00 N ATOM 0 H ASN A 14 7.839 -2.624 0.381 1.00 0.00 H new ATOM 0 HA ASN A 14 7.296 -5.322 1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.173 -2.663 2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.628 -4.151 3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.600 -4.290 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.366 -3.982 1.201 1.00 0.00 H new ATOM 205 N PHE A 15 4.944 -3.454 0.262 1.00 0.00 N ATOM 206 CA PHE A 15 3.549 -3.272 0.087 1.00 0.00 C ATOM 207 C PHE A 15 3.049 -4.352 -0.834 1.00 0.00 C ATOM 208 O PHE A 15 1.880 -4.636 -0.895 1.00 0.00 O ATOM 209 CB PHE A 15 3.306 -1.836 -0.457 1.00 0.00 C ATOM 210 CG PHE A 15 2.259 -1.700 -1.533 1.00 0.00 C ATOM 211 CD1 PHE A 15 2.618 -1.832 -2.863 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.933 -1.459 -1.223 1.00 0.00 C ATOM 213 CE1 PHE A 15 1.691 -1.730 -3.860 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.013 -1.350 -2.225 1.00 0.00 C ATOM 215 CZ PHE A 15 0.366 -1.488 -3.548 1.00 0.00 C ATOM 0 H PHE A 15 5.520 -2.894 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 15 2.996 -3.359 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.023 -1.196 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.249 -1.453 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.651 -2.019 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.634 -1.355 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.992 -1.838 -4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.046 -1.157 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.370 -1.407 -4.334 1.00 0.00 H new ATOM 225 N LEU A 16 3.962 -4.975 -1.529 1.00 0.00 N ATOM 226 CA LEU A 16 3.607 -5.956 -2.448 1.00 0.00 C ATOM 227 C LEU A 16 4.519 -7.190 -2.315 1.00 0.00 C ATOM 228 O LEU A 16 4.674 -7.983 -3.239 1.00 0.00 O ATOM 229 CB LEU A 16 3.670 -5.305 -3.813 1.00 0.00 C ATOM 230 CG LEU A 16 4.907 -5.489 -4.719 1.00 0.00 C ATOM 231 CD1 LEU A 16 4.592 -5.022 -6.121 1.00 0.00 C ATOM 232 CD2 LEU A 16 6.071 -4.701 -4.193 1.00 0.00 C ATOM 0 H LEU A 16 4.964 -4.798 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 16 2.600 -6.335 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.805 -5.656 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.539 -4.233 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 16 5.167 -6.548 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.469 -5.155 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.763 -5.606 -6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.316 -3.968 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.932 -4.844 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.810 -3.643 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.317 -5.042 -3.188 1.00 0.00 H new ATOM 244 N VAL A 17 5.054 -7.377 -1.131 1.00 0.00 N ATOM 245 CA VAL A 17 6.023 -8.437 -0.883 1.00 0.00 C ATOM 246 C VAL A 17 5.333 -9.756 -0.528 1.00 0.00 C ATOM 247 O VAL A 17 5.715 -10.832 -0.995 1.00 0.00 O ATOM 248 CB VAL A 17 7.047 -8.018 0.227 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.373 -7.737 1.556 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.136 -9.043 0.402 1.00 0.00 C ATOM 0 H VAL A 17 4.837 -6.807 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 17 6.578 -8.596 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 17 7.503 -7.090 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.125 -7.451 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.655 -6.925 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.854 -8.633 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.824 -8.714 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.695 -9.998 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.679 -9.161 -0.536 1.00 0.00 H new ATOM 260 N HIS A 18 4.326 -9.654 0.272 1.00 0.00 N ATOM 261 CA HIS A 18 3.576 -10.774 0.727 1.00 0.00 C ATOM 262 C HIS A 18 2.158 -10.317 0.874 1.00 0.00 C ATOM 263 O HIS A 18 1.338 -10.952 1.526 1.00 0.00 O ATOM 264 CB HIS A 18 4.115 -11.246 2.100 1.00 0.00 C ATOM 265 CG HIS A 18 3.836 -10.346 3.315 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.542 -10.837 4.571 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.821 -9.003 3.442 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.358 -9.832 5.403 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.524 -8.710 4.739 1.00 0.00 N ATOM 0 H HIS A 18 3.993 -8.762 0.638 1.00 0.00 H new ATOM 0 HA HIS A 18 3.652 -11.605 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.696 -12.231 2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.194 -11.371 2.014 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.011 -8.288 2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.113 -9.916 6.451 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.444 -7.772 5.131 1.00 0.00 H new ATOM 278 N SER A 19 1.877 -9.231 0.244 1.00 0.00 N ATOM 279 CA SER A 19 0.685 -8.543 0.492 1.00 0.00 C ATOM 280 C SER A 19 -0.342 -8.804 -0.575 1.00 0.00 C ATOM 281 O SER A 19 -0.258 -8.295 -1.698 1.00 0.00 O ATOM 282 CB SER A 19 0.974 -7.087 0.597 1.00 0.00 C ATOM 283 OG SER A 19 2.159 -6.869 1.383 1.00 0.00 O ATOM 0 H SER A 19 2.479 -8.802 -0.459 1.00 0.00 H new ATOM 0 HA SER A 19 0.266 -8.903 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.106 -6.663 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.128 -6.573 1.053 1.00 0.00 H new ATOM 0 HG SER A 19 2.339 -5.908 1.443 1.00 0.00 H new ATOM 289 N SER A 20 -1.273 -9.605 -0.215 1.00 0.00 N ATOM 290 CA SER A 20 -2.400 -9.938 -1.041 1.00 0.00 C ATOM 291 C SER A 20 -3.696 -9.716 -0.251 1.00 0.00 C ATOM 292 O SER A 20 -4.790 -9.724 -0.802 1.00 0.00 O ATOM 293 CB SER A 20 -2.284 -11.378 -1.523 1.00 0.00 C ATOM 294 OG SER A 20 -1.092 -11.552 -2.269 1.00 0.00 O ATOM 0 H SER A 20 -1.284 -10.070 0.693 1.00 0.00 H new ATOM 0 HA SER A 20 -2.418 -9.292 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.289 -12.056 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.147 -11.633 -2.138 1.00 0.00 H new ATOM 0 HG SER A 20 -1.028 -12.482 -2.572 1.00 0.00 H new ATOM 300 N ASN A 21 -3.543 -9.494 1.041 1.00 0.00 N ATOM 301 CA ASN A 21 -4.646 -9.267 1.949 1.00 0.00 C ATOM 302 C ASN A 21 -4.317 -8.104 2.866 1.00 0.00 C ATOM 303 O ASN A 21 -4.946 -7.917 3.897 1.00 0.00 O ATOM 304 CB ASN A 21 -4.844 -10.511 2.819 1.00 0.00 C ATOM 305 CG ASN A 21 -5.341 -11.714 2.054 1.00 0.00 C ATOM 306 OD1 ASN A 21 -6.087 -11.598 1.083 1.00 0.00 O ATOM 307 ND2 ASN A 21 -4.943 -12.872 2.474 1.00 0.00 N ATOM 0 H ASN A 21 -2.630 -9.466 1.495 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.546 -9.052 1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.898 -10.762 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.553 -10.279 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.248 -13.720 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.324 -12.936 3.282 1.00 0.00 H new ATOM 314 N ASN A 22 -3.345 -7.299 2.482 1.00 0.00 N ATOM 315 CA ASN A 22 -2.806 -6.284 3.343 1.00 0.00 C ATOM 316 C ASN A 22 -2.583 -5.030 2.617 1.00 0.00 C ATOM 317 O ASN A 22 -2.909 -3.961 3.107 1.00 0.00 O ATOM 318 CB ASN A 22 -1.500 -6.756 3.934 1.00 0.00 C ATOM 319 CG ASN A 22 -1.653 -7.388 5.298 1.00 0.00 C ATOM 320 OD1 ASN A 22 -0.724 -7.381 6.106 1.00 0.00 O ATOM 321 ND2 ASN A 22 -2.818 -7.891 5.586 1.00 0.00 N ATOM 0 H ASN A 22 -2.911 -7.337 1.560 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.530 -6.099 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.043 -7.477 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.816 -5.910 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.985 -8.297 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.565 -7.879 4.891 1.00 0.00 H new ATOM 328 N PHE A 23 -2.028 -5.170 1.462 1.00 0.00 N ATOM 329 CA PHE A 23 -1.693 -4.082 0.586 1.00 0.00 C ATOM 330 C PHE A 23 -2.861 -3.136 0.362 1.00 0.00 C ATOM 331 O PHE A 23 -3.816 -3.416 -0.352 1.00 0.00 O ATOM 332 CB PHE A 23 -1.096 -4.607 -0.695 1.00 0.00 C ATOM 333 CG PHE A 23 -2.002 -5.257 -1.651 1.00 0.00 C ATOM 334 CD1 PHE A 23 -2.171 -4.746 -2.919 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.665 -6.369 -1.292 1.00 0.00 C ATOM 336 CE1 PHE A 23 -3.007 -5.365 -3.816 1.00 0.00 C ATOM 337 CE2 PHE A 23 -3.498 -6.998 -2.161 1.00 0.00 C ATOM 338 CZ PHE A 23 -3.676 -6.503 -3.435 1.00 0.00 C ATOM 0 H PHE A 23 -1.782 -6.083 1.079 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.931 -3.474 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.610 -3.775 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.315 -5.321 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.642 -3.851 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.534 -6.769 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.137 -4.962 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.023 -7.890 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.335 -7.005 -4.127 1.00 0.00 H new ATOM 348 N GLY A 24 -2.806 -2.069 1.088 1.00 0.00 N ATOM 349 CA GLY A 24 -3.840 -1.066 1.075 1.00 0.00 C ATOM 350 C GLY A 24 -5.151 -1.538 1.673 1.00 0.00 C ATOM 351 O GLY A 24 -6.157 -0.847 1.623 1.00 0.00 O ATOM 0 H GLY A 24 -2.033 -1.858 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.493 -0.191 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.013 -0.748 0.047 1.00 0.00 H new ATOM 355 N ALA A 25 -5.104 -2.649 2.329 1.00 0.00 N ATOM 356 CA ALA A 25 -6.236 -3.209 2.982 1.00 0.00 C ATOM 357 C ALA A 25 -6.238 -2.622 4.328 1.00 0.00 C ATOM 358 O ALA A 25 -7.277 -2.357 4.929 1.00 0.00 O ATOM 359 CB ALA A 25 -6.094 -4.701 3.052 1.00 0.00 C ATOM 0 H ALA A 25 -4.255 -3.206 2.427 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.167 -2.999 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.964 -5.126 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.022 -5.107 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.193 -4.955 3.611 1.00 0.00 H new ATOM 365 N ILE A 26 -5.042 -2.387 4.770 1.00 0.00 N ATOM 366 CA ILE A 26 -4.778 -1.724 5.956 1.00 0.00 C ATOM 367 C ILE A 26 -4.326 -0.285 5.632 1.00 0.00 C ATOM 368 O ILE A 26 -4.941 0.674 6.070 1.00 0.00 O ATOM 369 CB ILE A 26 -3.752 -2.507 6.818 1.00 0.00 C ATOM 370 CG1 ILE A 26 -3.224 -1.631 7.945 1.00 0.00 C ATOM 371 CG2 ILE A 26 -2.618 -3.099 5.959 1.00 0.00 C ATOM 372 CD1 ILE A 26 -2.252 -2.321 8.887 1.00 0.00 C ATOM 0 H ILE A 26 -4.201 -2.676 4.271 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.682 -1.664 6.562 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.266 -3.355 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.731 -0.762 7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.069 -1.261 8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.921 -3.639 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.039 -3.783 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.091 -2.294 5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.930 -1.619 9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.743 -3.173 9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.384 -2.666 8.325 1.00 0.00 H new ATOM 384 N LEU A 27 -3.319 -0.178 4.754 1.00 0.00 N ATOM 385 CA LEU A 27 -2.736 1.094 4.296 1.00 0.00 C ATOM 386 C LEU A 27 -3.798 2.040 3.769 1.00 0.00 C ATOM 387 O LEU A 27 -3.857 3.198 4.145 1.00 0.00 O ATOM 388 CB LEU A 27 -1.674 0.761 3.218 1.00 0.00 C ATOM 389 CG LEU A 27 -1.623 1.574 1.899 1.00 0.00 C ATOM 390 CD1 LEU A 27 -1.235 3.018 2.093 1.00 0.00 C ATOM 391 CD2 LEU A 27 -0.699 0.902 0.913 1.00 0.00 C ATOM 0 H LEU A 27 -2.875 -0.993 4.331 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.267 1.614 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.695 0.848 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.805 -0.287 2.947 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.638 1.589 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.220 3.524 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.959 3.505 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.245 3.071 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.670 1.480 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.304 0.843 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.063 -0.103 0.700 1.00 0.00 H new ATOM 403 N SER A 28 -4.624 1.543 2.926 1.00 0.00 N ATOM 404 CA SER A 28 -5.633 2.372 2.330 1.00 0.00 C ATOM 405 C SER A 28 -6.955 2.124 3.010 1.00 0.00 C ATOM 406 O SER A 28 -7.910 2.857 2.834 1.00 0.00 O ATOM 407 CB SER A 28 -5.726 2.102 0.842 1.00 0.00 C ATOM 408 OG SER A 28 -4.473 2.333 0.210 1.00 0.00 O ATOM 0 H SER A 28 -4.631 0.568 2.625 1.00 0.00 H new ATOM 0 HA SER A 28 -5.365 3.420 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.040 1.072 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.487 2.744 0.398 1.00 0.00 H new ATOM 0 HG SER A 28 -4.552 2.152 -0.750 1.00 0.00 H new ATOM 414 N SER A 29 -6.970 1.051 3.775 1.00 0.00 N ATOM 415 CA SER A 29 -8.108 0.612 4.563 1.00 0.00 C ATOM 416 C SER A 29 -9.310 0.266 3.669 1.00 0.00 C ATOM 417 O SER A 29 -10.457 0.294 4.120 1.00 0.00 O ATOM 418 CB SER A 29 -8.468 1.680 5.595 1.00 0.00 C ATOM 419 OG SER A 29 -7.338 1.996 6.431 1.00 0.00 O ATOM 0 H SER A 29 -6.161 0.437 3.870 1.00 0.00 H new ATOM 0 HA SER A 29 -7.833 -0.301 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.811 2.581 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.294 1.329 6.213 1.00 0.00 H new ATOM 0 HG SER A 29 -6.589 1.406 6.205 1.00 0.00 H new ATOM 425 N THR A 30 -9.024 -0.168 2.434 1.00 0.00 N ATOM 426 CA THR A 30 -10.055 -0.466 1.443 1.00 0.00 C ATOM 427 C THR A 30 -11.087 -1.500 1.968 1.00 0.00 C ATOM 428 O THR A 30 -12.296 -1.379 1.722 1.00 0.00 O ATOM 429 CB THR A 30 -9.425 -0.936 0.074 1.00 0.00 C ATOM 430 OG1 THR A 30 -10.431 -1.132 -0.908 1.00 0.00 O ATOM 431 CG2 THR A 30 -8.623 -2.221 0.217 1.00 0.00 C ATOM 0 H THR A 30 -8.073 -0.321 2.099 1.00 0.00 H new ATOM 0 HA THR A 30 -10.594 0.464 1.260 1.00 0.00 H new ATOM 0 HB THR A 30 -8.750 -0.140 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.017 -1.421 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.211 -2.502 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.810 -2.065 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.273 -3.017 0.579 1.00 0.00 H new ATOM 439 N ASN A 31 -10.621 -2.413 2.805 1.00 0.00 N ATOM 440 CA ASN A 31 -11.451 -3.524 3.274 1.00 0.00 C ATOM 441 C ASN A 31 -11.947 -3.296 4.687 1.00 0.00 C ATOM 442 O ASN A 31 -12.422 -4.210 5.354 1.00 0.00 O ATOM 443 CB ASN A 31 -10.699 -4.858 3.167 1.00 0.00 C ATOM 444 CG ASN A 31 -10.368 -5.222 1.731 1.00 0.00 C ATOM 445 OD1 ASN A 31 -11.080 -4.845 0.799 1.00 0.00 O ATOM 446 ND2 ASN A 31 -9.314 -5.957 1.535 1.00 0.00 N ATOM 0 H ASN A 31 -9.671 -2.411 3.177 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.325 -3.572 2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.777 -4.800 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.304 -5.649 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.057 -6.237 0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.744 -6.253 2.328 1.00 0.00 H new ATOM 453 N VAL A 32 -11.864 -2.065 5.132 1.00 0.00 N ATOM 454 CA VAL A 32 -12.347 -1.692 6.457 1.00 0.00 C ATOM 455 C VAL A 32 -13.735 -1.035 6.291 1.00 0.00 C ATOM 456 O VAL A 32 -14.284 -0.409 7.193 1.00 0.00 O ATOM 457 CB VAL A 32 -11.339 -0.715 7.151 1.00 0.00 C ATOM 458 CG1 VAL A 32 -11.685 -0.472 8.608 1.00 0.00 C ATOM 459 CG2 VAL A 32 -9.931 -1.256 7.042 1.00 0.00 C ATOM 0 H VAL A 32 -11.465 -1.293 4.598 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.432 -2.573 7.093 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.408 0.241 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.957 0.212 9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.681 -0.035 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.665 -1.418 9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.238 -0.569 7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.877 -2.230 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.661 -1.360 5.991 1.00 0.00 H new ATOM 469 N GLY A 33 -14.315 -1.238 5.127 1.00 0.00 N ATOM 470 CA GLY A 33 -15.593 -0.654 4.829 1.00 0.00 C ATOM 471 C GLY A 33 -15.440 0.584 3.997 1.00 0.00 C ATOM 472 O GLY A 33 -16.405 1.315 3.756 1.00 0.00 O ATOM 0 H GLY A 33 -13.918 -1.803 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.212 -1.378 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.110 -0.411 5.757 1.00 0.00 H new ATOM 476 N SER A 34 -14.228 0.831 3.551 1.00 0.00 N ATOM 477 CA SER A 34 -13.956 1.982 2.742 1.00 0.00 C ATOM 478 C SER A 34 -14.451 1.697 1.331 1.00 0.00 C ATOM 479 O SER A 34 -15.092 2.533 0.705 1.00 0.00 O ATOM 480 CB SER A 34 -12.450 2.299 2.777 1.00 0.00 C ATOM 481 OG SER A 34 -12.120 3.488 2.079 1.00 0.00 O ATOM 0 H SER A 34 -13.417 0.243 3.740 1.00 0.00 H new ATOM 0 HA SER A 34 -14.475 2.861 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.127 2.391 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.898 1.465 2.344 1.00 0.00 H new ATOM 0 HG SER A 34 -11.154 3.642 2.134 1.00 0.00 H new ATOM 487 N ASN A 35 -14.192 0.492 0.862 1.00 0.00 N ATOM 488 CA ASN A 35 -14.646 0.060 -0.452 1.00 0.00 C ATOM 489 C ASN A 35 -15.513 -1.163 -0.337 1.00 0.00 C ATOM 490 O ASN A 35 -16.351 -1.420 -1.192 1.00 0.00 O ATOM 491 CB ASN A 35 -13.471 -0.248 -1.364 1.00 0.00 C ATOM 492 CG ASN A 35 -12.644 0.962 -1.727 1.00 0.00 C ATOM 493 OD1 ASN A 35 -11.687 1.305 -1.029 1.00 0.00 O ATOM 494 ND2 ASN A 35 -12.964 1.586 -2.815 1.00 0.00 N ATOM 0 H ASN A 35 -13.664 -0.214 1.375 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.224 0.878 -0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.829 -0.982 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.845 -0.708 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.417 2.391 -3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.763 1.273 -3.366 1.00 0.00 H new ATOM 501 N THR A 36 -15.309 -1.918 0.705 1.00 0.00 N ATOM 502 CA THR A 36 -16.072 -3.108 0.934 1.00 0.00 C ATOM 503 C THR A 36 -17.469 -2.788 1.456 1.00 0.00 C ATOM 504 O THR A 36 -17.660 -2.506 2.646 1.00 0.00 O ATOM 505 CB THR A 36 -15.327 -4.048 1.888 1.00 0.00 C ATOM 506 OG1 THR A 36 -14.731 -3.278 2.959 1.00 0.00 O ATOM 507 CG2 THR A 36 -14.260 -4.834 1.151 1.00 0.00 C ATOM 0 H THR A 36 -14.608 -1.724 1.420 1.00 0.00 H new ATOM 0 HA THR A 36 -16.194 -3.616 -0.023 1.00 0.00 H new ATOM 0 HB THR A 36 -16.040 -4.759 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.395 -3.885 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.746 -5.494 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.724 -5.430 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.542 -4.145 0.707 1.00 0.00 H new HETATM 515 N TYC A 37 -18.416 -2.757 0.555 1.00 0.00 N HETATM 516 CA TYC A 37 -19.789 -2.485 0.891 1.00 0.00 C HETATM 517 C TYC A 37 -20.592 -3.772 0.826 1.00 0.00 C HETATM 518 O TYC A 37 -21.044 -4.299 1.851 1.00 0.00 O HETATM 519 CB TYC A 37 -20.396 -1.428 -0.050 1.00 0.00 C HETATM 520 CG TYC A 37 -19.591 -0.148 -0.149 1.00 0.00 C HETATM 521 CD1 TYC A 37 -19.257 0.584 0.986 1.00 0.00 C HETATM 522 CD2 TYC A 37 -19.164 0.326 -1.382 1.00 0.00 C HETATM 523 CE1 TYC A 37 -18.517 1.743 0.889 1.00 0.00 C HETATM 524 CE2 TYC A 37 -18.428 1.487 -1.485 1.00 0.00 C HETATM 525 OH TYC A 37 -17.360 3.345 -0.446 1.00 0.00 O HETATM 526 CZ TYC A 37 -18.104 2.189 -0.349 1.00 0.00 C HETATM 527 NXT TYC A 37 -20.771 -4.286 -0.369 1.00 0.00 N HETATM 0 HT22 TYC A 37 -21.302 -5.150 -0.478 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -20.379 -3.821 -1.188 1.00 0.00 H new HETATM 0 HH TYC A 37 -16.582 3.284 0.147 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -18.105 1.846 -2.462 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -18.259 2.305 1.787 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -19.415 -0.230 -2.285 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -19.585 0.236 1.966 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -20.496 -1.859 -1.046 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -21.401 -1.186 0.294 1.00 0.00 H new HETATM 0 HA TYC A 37 -19.824 -2.085 1.904 1.00 0.00 H new TER 539 TYC A 37