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 Set 1.1: A 30 THR OG1 : rot -140:sc= 0.147 USER MOD Set 1.2: A 35 ASN : amide:sc= -0.361 X(o=-0.96,f=-0.6) USER MOD Set 1.3: A 36 THR OG1 : rot -127:sc= -0.746 USER MOD Set 2.1: A 18 HIS :FLIP no HD1:sc= -0.254 F(o=-0.98,f=-0.25) USER MOD Set 2.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 9 THR OG1 : rot -134:sc= 1.31 USER MOD Set 3.2: A 10 GLN : amide:sc= -0.0176 X(o=1.3,f=0.81) USER MOD Single : A 1 LYS N :NH3+ -118:sc= 0.204 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0735 F(o=-2.1!,f=-0.073) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.056 F(o=-1.1!,f=-0.056) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -16:sc= 1.25 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.572 F(o=-1.5!,f=-0.57) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.144 5.338 9.532 1.00 0.00 N ATOM 2 CA LYS A 1 10.499 5.511 8.228 1.00 0.00 C ATOM 3 C LYS A 1 11.500 6.129 7.272 1.00 0.00 C ATOM 4 O LYS A 1 12.610 6.488 7.685 1.00 0.00 O ATOM 5 CB LYS A 1 9.252 6.414 8.333 1.00 0.00 C ATOM 6 CG LYS A 1 9.544 7.858 8.726 1.00 0.00 C ATOM 7 CD LYS A 1 8.286 8.709 8.691 1.00 0.00 C ATOM 8 CE LYS A 1 8.603 10.162 8.994 1.00 0.00 C ATOM 9 NZ LYS A 1 7.413 11.032 8.912 1.00 0.00 N ATOM 0 H1 LYS A 1 11.171 4.327 9.774 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.114 5.711 9.492 1.00 0.00 H new ATOM 0 H3 LYS A 1 10.605 5.853 10.257 1.00 0.00 H new ATOM 0 HA LYS A 1 10.173 4.537 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.735 6.410 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.569 5.983 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.974 7.884 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 1 10.288 8.278 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.818 8.632 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.567 8.331 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 1 9.034 10.235 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.358 10.519 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.684 12.013 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.015 10.986 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.701 10.711 9.598 1.00 0.00 H new ATOM 25 N CYS A 2 11.130 6.262 6.018 1.00 0.00 N ATOM 26 CA CYS A 2 12.003 6.848 5.040 1.00 0.00 C ATOM 27 C CYS A 2 11.207 7.439 3.902 1.00 0.00 C ATOM 28 O CYS A 2 10.051 7.072 3.698 1.00 0.00 O ATOM 29 CB CYS A 2 13.027 5.839 4.562 1.00 0.00 C ATOM 30 SG CYS A 2 12.355 4.239 4.063 1.00 0.00 S ATOM 0 H CYS A 2 10.223 5.968 5.655 1.00 0.00 H new ATOM 0 HA CYS A 2 12.553 7.666 5.505 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.569 6.267 3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.754 5.678 5.358 1.00 0.00 H new ATOM 35 N ASN A 3 11.807 8.339 3.160 1.00 0.00 N ATOM 36 CA ASN A 3 11.084 9.081 2.140 1.00 0.00 C ATOM 37 C ASN A 3 11.953 9.367 0.916 1.00 0.00 C ATOM 38 O ASN A 3 11.632 10.236 0.101 1.00 0.00 O ATOM 39 CB ASN A 3 10.566 10.399 2.749 1.00 0.00 C ATOM 40 CG ASN A 3 11.679 11.338 3.221 1.00 0.00 C ATOM 41 OD1 ASN A 3 12.166 11.226 4.345 1.00 0.00 O ATOM 42 ND2 ASN A 3 12.040 12.291 2.410 1.00 0.00 N ATOM 0 H ASN A 3 12.795 8.580 3.239 1.00 0.00 H new ATOM 0 HA ASN A 3 10.247 8.471 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.956 10.916 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.915 10.168 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.744 12.969 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.619 12.359 1.484 1.00 0.00 H new ATOM 49 N THR A 4 13.026 8.636 0.771 1.00 0.00 N ATOM 50 CA THR A 4 13.901 8.814 -0.371 1.00 0.00 C ATOM 51 C THR A 4 13.622 7.720 -1.403 1.00 0.00 C ATOM 52 O THR A 4 13.014 6.701 -1.077 1.00 0.00 O ATOM 53 CB THR A 4 15.411 8.799 0.044 1.00 0.00 C ATOM 54 OG1 THR A 4 16.247 8.955 -1.108 1.00 0.00 O ATOM 55 CG2 THR A 4 15.779 7.500 0.735 1.00 0.00 C ATOM 0 H THR A 4 13.320 7.911 1.425 1.00 0.00 H new ATOM 0 HA THR A 4 13.695 9.792 -0.807 1.00 0.00 H new ATOM 0 HB THR A 4 15.566 9.628 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.188 8.945 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.833 7.521 1.011 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.172 7.380 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.597 6.664 0.059 1.00 0.00 H new ATOM 63 N ALA A 5 14.121 7.903 -2.604 1.00 0.00 N ATOM 64 CA ALA A 5 13.929 6.971 -3.715 1.00 0.00 C ATOM 65 C ALA A 5 14.672 5.678 -3.457 1.00 0.00 C ATOM 66 O ALA A 5 14.427 4.667 -4.084 1.00 0.00 O ATOM 67 CB ALA A 5 14.375 7.588 -5.024 1.00 0.00 C ATOM 0 H ALA A 5 14.684 8.717 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 5 12.864 6.750 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.222 6.874 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.793 8.489 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.432 7.846 -4.963 1.00 0.00 H new ATOM 73 N THR A 6 15.613 5.739 -2.562 1.00 0.00 N ATOM 74 CA THR A 6 16.358 4.588 -2.164 1.00 0.00 C ATOM 75 C THR A 6 15.551 3.745 -1.153 1.00 0.00 C ATOM 76 O THR A 6 15.826 2.567 -0.957 1.00 0.00 O ATOM 77 CB THR A 6 17.682 5.052 -1.511 1.00 0.00 C ATOM 78 OG1 THR A 6 18.370 5.938 -2.411 1.00 0.00 O ATOM 79 CG2 THR A 6 18.585 3.873 -1.168 1.00 0.00 C ATOM 0 H THR A 6 15.885 6.598 -2.085 1.00 0.00 H new ATOM 0 HA THR A 6 16.565 3.973 -3.040 1.00 0.00 H new ATOM 0 HB THR A 6 17.439 5.568 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.208 6.235 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.504 4.240 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.071 3.212 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.826 3.323 -2.077 1.00 0.00 H new ATOM 87 N CYS A 7 14.511 4.317 -0.573 1.00 0.00 N ATOM 88 CA CYS A 7 13.890 3.644 0.536 1.00 0.00 C ATOM 89 C CYS A 7 12.388 3.578 0.459 1.00 0.00 C ATOM 90 O CYS A 7 11.794 2.565 0.814 1.00 0.00 O ATOM 91 CB CYS A 7 14.272 4.337 1.766 1.00 0.00 C ATOM 92 SG CYS A 7 13.975 3.351 3.268 1.00 0.00 S ATOM 0 H CYS A 7 14.097 5.210 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 7 14.240 2.612 0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.329 4.599 1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.715 5.271 1.837 1.00 0.00 H new ATOM 97 N ALA A 8 11.757 4.638 -0.011 1.00 0.00 N ATOM 98 CA ALA A 8 10.311 4.664 -0.129 1.00 0.00 C ATOM 99 C ALA A 8 9.887 3.594 -1.101 1.00 0.00 C ATOM 100 O ALA A 8 8.809 3.018 -0.999 1.00 0.00 O ATOM 101 CB ALA A 8 9.845 6.020 -0.600 1.00 0.00 C ATOM 0 H ALA A 8 12.223 5.492 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 8 9.859 4.475 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.758 6.023 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.156 6.781 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.284 6.238 -1.574 1.00 0.00 H new ATOM 107 N THR A 9 10.795 3.303 -1.995 1.00 0.00 N ATOM 108 CA THR A 9 10.626 2.283 -3.008 1.00 0.00 C ATOM 109 C THR A 9 10.600 0.893 -2.386 1.00 0.00 C ATOM 110 O THR A 9 9.922 -0.014 -2.851 1.00 0.00 O ATOM 111 CB THR A 9 11.760 2.374 -3.981 1.00 0.00 C ATOM 112 OG1 THR A 9 12.966 2.533 -3.210 1.00 0.00 O ATOM 113 CG2 THR A 9 11.570 3.561 -4.903 1.00 0.00 C ATOM 0 H THR A 9 11.696 3.778 -2.044 1.00 0.00 H new ATOM 0 HA THR A 9 9.676 2.446 -3.516 1.00 0.00 H new ATOM 0 HB THR A 9 11.809 1.479 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.508 3.253 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.403 3.614 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.637 3.447 -5.455 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.534 4.477 -4.314 1.00 0.00 H new ATOM 121 N GLN A 10 11.348 0.760 -1.331 1.00 0.00 N ATOM 122 CA GLN A 10 11.473 -0.473 -0.586 1.00 0.00 C ATOM 123 C GLN A 10 10.222 -0.665 0.189 1.00 0.00 C ATOM 124 O GLN A 10 9.715 -1.751 0.296 1.00 0.00 O ATOM 125 CB GLN A 10 12.670 -0.422 0.364 1.00 0.00 C ATOM 126 CG GLN A 10 13.953 -0.001 -0.311 1.00 0.00 C ATOM 127 CD GLN A 10 14.346 -0.886 -1.466 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.090 -2.092 -1.476 1.00 0.00 O ATOM 129 NE2 GLN A 10 14.898 -0.284 -2.468 1.00 0.00 N ATOM 0 H GLN A 10 11.906 1.523 -0.948 1.00 0.00 H new ATOM 0 HA GLN A 10 11.634 -1.302 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.451 0.271 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.810 -1.405 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.846 1.023 -0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.757 0.000 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.093 0.716 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.139 -0.809 -3.309 1.00 0.00 H new ATOM 138 N ARG A 11 9.687 0.435 0.675 1.00 0.00 N ATOM 139 CA ARG A 11 8.434 0.414 1.422 1.00 0.00 C ATOM 140 C ARG A 11 7.341 -0.043 0.467 1.00 0.00 C ATOM 141 O ARG A 11 6.498 -0.852 0.809 1.00 0.00 O ATOM 142 CB ARG A 11 8.081 1.807 1.948 1.00 0.00 C ATOM 143 CG ARG A 11 9.182 2.535 2.704 1.00 0.00 C ATOM 144 CD ARG A 11 9.631 1.784 3.930 1.00 0.00 C ATOM 145 NE ARG A 11 8.524 1.545 4.862 1.00 0.00 N ATOM 146 CZ ARG A 11 8.633 1.011 6.085 1.00 0.00 C ATOM 147 NH1 ARG A 11 9.834 0.699 6.586 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.534 0.818 6.804 1.00 0.00 N ATOM 0 H ARG A 11 10.098 1.362 0.569 1.00 0.00 H new ATOM 0 HA ARG A 11 8.531 -0.256 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.777 2.426 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.216 1.717 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.034 2.687 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.826 3.523 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.067 0.830 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.415 2.349 4.435 1.00 0.00 H new ATOM 0 HE ARG A 11 7.589 1.809 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.676 0.868 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.908 0.293 7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.624 1.075 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.600 0.412 7.737 1.00 0.00 H new ATOM 162 N LEU A 12 7.439 0.448 -0.760 1.00 0.00 N ATOM 163 CA LEU A 12 6.568 0.078 -1.848 1.00 0.00 C ATOM 164 C LEU A 12 6.717 -1.404 -2.156 1.00 0.00 C ATOM 165 O LEU A 12 5.757 -2.084 -2.493 1.00 0.00 O ATOM 166 CB LEU A 12 6.970 0.889 -3.073 1.00 0.00 C ATOM 167 CG LEU A 12 6.600 2.381 -3.091 1.00 0.00 C ATOM 168 CD1 LEU A 12 7.029 3.023 -4.392 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.112 2.573 -2.887 1.00 0.00 C ATOM 0 H LEU A 12 8.148 1.132 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 12 5.531 0.277 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.051 0.809 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.520 0.421 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 12 7.128 2.864 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.758 4.079 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.109 2.927 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.530 2.527 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.877 3.637 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.567 2.068 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.819 2.152 -1.925 1.00 0.00 H new ATOM 181 N ALA A 13 7.925 -1.899 -2.033 1.00 0.00 N ATOM 182 CA ALA A 13 8.197 -3.292 -2.257 1.00 0.00 C ATOM 183 C ALA A 13 7.621 -4.139 -1.118 1.00 0.00 C ATOM 184 O ALA A 13 7.129 -5.220 -1.333 1.00 0.00 O ATOM 185 CB ALA A 13 9.690 -3.537 -2.419 1.00 0.00 C ATOM 0 H ALA A 13 8.743 -1.347 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 13 7.710 -3.591 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.868 -4.599 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.062 -2.967 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.211 -3.220 -1.515 1.00 0.00 H new ATOM 191 N ASN A 14 7.623 -3.582 0.082 1.00 0.00 N ATOM 192 CA ASN A 14 7.139 -4.280 1.299 1.00 0.00 C ATOM 193 C ASN A 14 5.630 -4.230 1.389 1.00 0.00 C ATOM 194 O ASN A 14 5.011 -4.907 2.209 1.00 0.00 O ATOM 195 CB ASN A 14 7.737 -3.686 2.594 1.00 0.00 C ATOM 196 CG ASN A 14 9.237 -3.926 2.801 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.981 -4.036 1.747 1.00 0.00 O flip ATOM 198 ND2 ASN A 14 9.722 -3.994 3.930 1.00 0.00 N flip ATOM 0 H ASN A 14 7.957 -2.634 0.258 1.00 0.00 H new ATOM 0 HA ASN A 14 7.471 -5.314 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.555 -2.611 2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.200 -4.103 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.121 -3.905 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.725 -4.139 4.046 1.00 0.00 H new ATOM 205 N PHE A 15 5.037 -3.467 0.521 1.00 0.00 N ATOM 206 CA PHE A 15 3.632 -3.282 0.524 1.00 0.00 C ATOM 207 C PHE A 15 3.006 -4.346 -0.351 1.00 0.00 C ATOM 208 O PHE A 15 1.828 -4.653 -0.236 1.00 0.00 O ATOM 209 CB PHE A 15 3.328 -1.826 0.061 1.00 0.00 C ATOM 210 CG PHE A 15 2.274 -1.657 -0.996 1.00 0.00 C ATOM 211 CD1 PHE A 15 2.619 -1.741 -2.332 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.954 -1.406 -0.661 1.00 0.00 C ATOM 213 CE1 PHE A 15 1.685 -1.584 -3.315 1.00 0.00 C ATOM 214 CE2 PHE A 15 0.001 -1.245 -1.645 1.00 0.00 C ATOM 215 CZ PHE A 15 0.367 -1.334 -2.975 1.00 0.00 C ATOM 0 H PHE A 15 5.526 -2.954 -0.213 1.00 0.00 H new ATOM 0 HA PHE A 15 3.199 -3.396 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.029 -1.247 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.254 -1.387 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.646 -1.934 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.669 -1.336 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.973 -1.655 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.027 -1.050 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.376 -1.208 -3.749 1.00 0.00 H new ATOM 225 N LEU A 16 3.835 -4.950 -1.186 1.00 0.00 N ATOM 226 CA LEU A 16 3.395 -5.900 -2.125 1.00 0.00 C ATOM 227 C LEU A 16 4.319 -7.145 -2.143 1.00 0.00 C ATOM 228 O LEU A 16 4.255 -7.990 -3.034 1.00 0.00 O ATOM 229 CB LEU A 16 3.329 -5.179 -3.462 1.00 0.00 C ATOM 230 CG LEU A 16 4.352 -5.487 -4.575 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.896 -4.851 -5.875 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.713 -4.942 -4.209 1.00 0.00 C ATOM 0 H LEU A 16 4.839 -4.774 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 16 2.411 -6.294 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.338 -5.364 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.393 -4.111 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 16 4.421 -6.568 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.620 -5.069 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.923 -5.254 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.817 -3.772 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.422 -5.169 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.649 -3.862 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.051 -5.402 -3.281 1.00 0.00 H new ATOM 244 N VAL A 17 5.067 -7.302 -1.074 1.00 0.00 N ATOM 245 CA VAL A 17 6.159 -8.278 -0.998 1.00 0.00 C ATOM 246 C VAL A 17 5.635 -9.690 -0.829 1.00 0.00 C ATOM 247 O VAL A 17 6.076 -10.620 -1.477 1.00 0.00 O ATOM 248 CB VAL A 17 7.143 -7.904 0.151 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.420 -7.799 1.489 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.299 -8.882 0.236 1.00 0.00 C ATOM 0 H VAL A 17 4.943 -6.757 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 17 6.703 -8.247 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 17 7.556 -6.923 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.135 -7.537 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.651 -7.029 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.957 -8.756 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.964 -8.589 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.915 -9.884 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.850 -8.876 -0.704 1.00 0.00 H new ATOM 260 N HIS A 18 4.699 -9.816 0.033 1.00 0.00 N ATOM 261 CA HIS A 18 4.046 -11.040 0.301 1.00 0.00 C ATOM 262 C HIS A 18 2.604 -10.713 0.405 1.00 0.00 C ATOM 263 O HIS A 18 1.811 -11.413 1.000 1.00 0.00 O ATOM 264 CB HIS A 18 4.574 -11.669 1.604 1.00 0.00 C ATOM 265 CG HIS A 18 4.316 -10.945 2.928 1.00 0.00 C ATOM 266 ND1 HIS A 18 4.081 -9.646 3.218 1.00 0.00 N flip ATOM 267 CD2 HIS A 18 4.337 -11.592 4.140 1.00 0.00 C flip ATOM 268 CE1 HIS A 18 3.970 -9.542 4.571 1.00 0.00 C flip ATOM 269 NE2 HIS A 18 4.129 -10.727 5.104 1.00 0.00 N flip ATOM 0 H HIS A 18 4.352 -9.038 0.594 1.00 0.00 H new ATOM 0 HA HIS A 18 4.228 -11.774 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.147 -12.668 1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.652 -11.791 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.500 -12.651 4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.781 -8.629 5.116 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.097 -10.942 6.101 1.00 0.00 H new ATOM 278 N SER A 19 2.287 -9.626 -0.208 1.00 0.00 N ATOM 279 CA SER A 19 1.008 -9.067 -0.123 1.00 0.00 C ATOM 280 C SER A 19 0.321 -9.119 -1.428 1.00 0.00 C ATOM 281 O SER A 19 -0.682 -8.544 -1.572 1.00 0.00 O ATOM 282 CB SER A 19 1.141 -7.647 0.299 1.00 0.00 C ATOM 283 OG SER A 19 1.825 -7.554 1.540 1.00 0.00 O ATOM 0 H SER A 19 2.935 -9.098 -0.793 1.00 0.00 H new ATOM 0 HA SER A 19 0.420 -9.634 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.682 -7.085 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.153 -7.195 0.388 1.00 0.00 H new ATOM 0 HG SER A 19 1.904 -6.612 1.800 1.00 0.00 H new ATOM 289 N SER A 20 0.832 -9.907 -2.309 1.00 0.00 N ATOM 290 CA SER A 20 0.432 -10.008 -3.711 1.00 0.00 C ATOM 291 C SER A 20 -1.067 -10.352 -3.888 1.00 0.00 C ATOM 292 O SER A 20 -1.653 -10.149 -4.945 1.00 0.00 O ATOM 293 CB SER A 20 1.301 -11.068 -4.355 1.00 0.00 C ATOM 294 OG SER A 20 2.675 -10.819 -4.042 1.00 0.00 O ATOM 0 H SER A 20 1.591 -10.548 -2.077 1.00 0.00 H new ATOM 0 HA SER A 20 0.569 -9.038 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.010 -12.056 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.157 -11.063 -5.435 1.00 0.00 H new ATOM 0 HG SER A 20 3.235 -11.507 -4.458 1.00 0.00 H new ATOM 300 N ASN A 21 -1.653 -10.830 -2.840 1.00 0.00 N ATOM 301 CA ASN A 21 -3.036 -11.230 -2.801 1.00 0.00 C ATOM 302 C ASN A 21 -3.760 -10.455 -1.714 1.00 0.00 C ATOM 303 O ASN A 21 -4.864 -10.814 -1.307 1.00 0.00 O ATOM 304 CB ASN A 21 -3.091 -12.712 -2.439 1.00 0.00 C ATOM 305 CG ASN A 21 -2.586 -13.643 -3.521 1.00 0.00 C ATOM 306 OD1 ASN A 21 -3.347 -14.092 -4.371 1.00 0.00 O ATOM 307 ND2 ASN A 21 -1.318 -13.968 -3.482 1.00 0.00 N ATOM 0 H ASN A 21 -1.171 -10.961 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.503 -11.039 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.504 -12.874 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.121 -12.977 -2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.935 -14.614 -4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.713 -13.576 -2.761 1.00 0.00 H new ATOM 314 N ASN A 22 -3.146 -9.393 -1.247 1.00 0.00 N ATOM 315 CA ASN A 22 -3.595 -8.678 -0.082 1.00 0.00 C ATOM 316 C ASN A 22 -3.557 -7.205 -0.238 1.00 0.00 C ATOM 317 O ASN A 22 -4.442 -6.502 0.248 1.00 0.00 O ATOM 318 CB ASN A 22 -2.701 -9.047 1.066 1.00 0.00 C ATOM 319 CG ASN A 22 -3.308 -10.071 1.966 1.00 0.00 C ATOM 320 OD1 ASN A 22 -4.167 -10.888 1.417 1.00 0.00 O flip ATOM 321 ND2 ASN A 22 -3.010 -10.129 3.154 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.308 -8.998 -1.674 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.635 -8.958 0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.756 -9.426 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.472 -8.152 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.334 -9.471 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.438 -10.835 3.753 1.00 0.00 H new ATOM 328 N PHE A 23 -2.541 -6.750 -0.877 1.00 0.00 N ATOM 329 CA PHE A 23 -2.250 -5.372 -1.025 1.00 0.00 C ATOM 330 C PHE A 23 -3.392 -4.599 -1.671 1.00 0.00 C ATOM 331 O PHE A 23 -3.675 -4.702 -2.873 1.00 0.00 O ATOM 332 CB PHE A 23 -0.887 -5.186 -1.666 1.00 0.00 C ATOM 333 CG PHE A 23 -0.781 -5.414 -3.106 1.00 0.00 C ATOM 334 CD1 PHE A 23 -0.644 -4.394 -4.010 1.00 0.00 C ATOM 335 CD2 PHE A 23 -0.780 -6.644 -3.520 1.00 0.00 C ATOM 336 CE1 PHE A 23 -0.504 -4.683 -5.348 1.00 0.00 C ATOM 337 CE2 PHE A 23 -0.654 -6.978 -4.786 1.00 0.00 C ATOM 338 CZ PHE A 23 -0.508 -6.004 -5.746 1.00 0.00 C ATOM 0 H PHE A 23 -1.859 -7.357 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.174 -4.916 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.555 -4.168 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.187 -5.856 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.646 -3.368 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.888 -7.432 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.393 -3.890 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.665 -8.019 -5.072 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.399 -6.267 -6.788 1.00 0.00 H new ATOM 348 N GLY A 24 -4.096 -3.919 -0.805 1.00 0.00 N ATOM 349 CA GLY A 24 -5.285 -3.164 -1.149 1.00 0.00 C ATOM 350 C GLY A 24 -6.457 -4.032 -1.494 1.00 0.00 C ATOM 351 O GLY A 24 -7.397 -3.616 -2.147 1.00 0.00 O ATOM 0 H GLY A 24 -3.857 -3.870 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.553 -2.519 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.062 -2.513 -1.994 1.00 0.00 H new ATOM 355 N ALA A 25 -6.410 -5.225 -1.018 1.00 0.00 N ATOM 356 CA ALA A 25 -7.481 -6.142 -1.137 1.00 0.00 C ATOM 357 C ALA A 25 -8.123 -6.161 0.200 1.00 0.00 C ATOM 358 O ALA A 25 -9.342 -5.970 0.355 1.00 0.00 O ATOM 359 CB ALA A 25 -6.954 -7.514 -1.511 1.00 0.00 C ATOM 0 H ALA A 25 -5.601 -5.598 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.189 -5.858 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.787 -8.212 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.427 -7.454 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.269 -7.863 -0.739 1.00 0.00 H new ATOM 365 N ILE A 26 -7.263 -6.285 1.168 1.00 0.00 N ATOM 366 CA ILE A 26 -7.609 -6.258 2.522 1.00 0.00 C ATOM 367 C ILE A 26 -7.476 -4.834 3.060 1.00 0.00 C ATOM 368 O ILE A 26 -8.326 -4.382 3.813 1.00 0.00 O ATOM 369 CB ILE A 26 -6.773 -7.269 3.352 1.00 0.00 C ATOM 370 CG1 ILE A 26 -7.039 -7.077 4.821 1.00 0.00 C ATOM 371 CG2 ILE A 26 -5.295 -7.099 3.061 1.00 0.00 C ATOM 372 CD1 ILE A 26 -6.383 -8.102 5.730 1.00 0.00 C ATOM 0 H ILE A 26 -6.264 -6.412 1.008 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.649 -6.569 2.620 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.068 -8.280 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.696 -6.084 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.116 -7.103 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.723 -7.815 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.111 -7.273 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.987 -6.086 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.632 -7.881 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.744 -9.098 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.301 -8.064 5.601 1.00 0.00 H new ATOM 384 N LEU A 27 -6.439 -4.107 2.592 1.00 0.00 N ATOM 385 CA LEU A 27 -6.209 -2.712 2.997 1.00 0.00 C ATOM 386 C LEU A 27 -7.395 -1.887 2.588 1.00 0.00 C ATOM 387 O LEU A 27 -7.938 -1.107 3.362 1.00 0.00 O ATOM 388 CB LEU A 27 -4.878 -2.192 2.355 1.00 0.00 C ATOM 389 CG LEU A 27 -4.848 -0.891 1.476 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.201 0.361 2.234 1.00 0.00 C ATOM 391 CD2 LEU A 27 -3.488 -0.732 0.813 1.00 0.00 C ATOM 0 H LEU A 27 -5.749 -4.468 1.933 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.100 -2.636 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.170 -2.041 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.486 -3.001 1.738 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.621 -1.021 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.159 1.218 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.208 0.268 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.492 0.505 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.482 0.174 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.716 -0.661 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.290 -1.595 0.177 1.00 0.00 H new ATOM 403 N SER A 28 -7.807 -2.088 1.385 1.00 0.00 N ATOM 404 CA SER A 28 -8.926 -1.363 0.871 1.00 0.00 C ATOM 405 C SER A 28 -10.237 -2.031 1.304 1.00 0.00 C ATOM 406 O SER A 28 -11.312 -1.446 1.226 1.00 0.00 O ATOM 407 CB SER A 28 -8.805 -1.282 -0.618 1.00 0.00 C ATOM 408 OG SER A 28 -7.574 -0.668 -0.976 1.00 0.00 O ATOM 0 H SER A 28 -7.387 -2.750 0.733 1.00 0.00 H new ATOM 0 HA SER A 28 -8.936 -0.350 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.861 -2.281 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.638 -0.711 -1.028 1.00 0.00 H new ATOM 0 HG SER A 28 -7.504 -0.621 -1.952 1.00 0.00 H new ATOM 414 N SER A 29 -10.102 -3.284 1.728 1.00 0.00 N ATOM 415 CA SER A 29 -11.178 -4.119 2.276 1.00 0.00 C ATOM 416 C SER A 29 -12.280 -4.398 1.253 1.00 0.00 C ATOM 417 O SER A 29 -13.384 -4.875 1.591 1.00 0.00 O ATOM 418 CB SER A 29 -11.733 -3.481 3.547 1.00 0.00 C ATOM 419 OG SER A 29 -10.685 -3.248 4.488 1.00 0.00 O ATOM 0 H SER A 29 -9.205 -3.770 1.700 1.00 0.00 H new ATOM 0 HA SER A 29 -10.754 -5.091 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.227 -2.540 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.488 -4.132 3.988 1.00 0.00 H new ATOM 0 HG SER A 29 -9.893 -3.765 4.231 1.00 0.00 H new ATOM 425 N THR A 30 -11.949 -4.206 0.004 1.00 0.00 N ATOM 426 CA THR A 30 -12.893 -4.349 -1.055 1.00 0.00 C ATOM 427 C THR A 30 -13.154 -5.836 -1.361 1.00 0.00 C ATOM 428 O THR A 30 -14.110 -6.176 -2.037 1.00 0.00 O ATOM 429 CB THR A 30 -12.438 -3.575 -2.321 1.00 0.00 C ATOM 430 OG1 THR A 30 -13.527 -3.469 -3.252 1.00 0.00 O ATOM 431 CG2 THR A 30 -11.239 -4.260 -2.984 1.00 0.00 C ATOM 0 H THR A 30 -11.011 -3.945 -0.302 1.00 0.00 H new ATOM 0 HA THR A 30 -13.836 -3.910 -0.729 1.00 0.00 H new ATOM 0 HB THR A 30 -12.130 -2.575 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.192 -3.598 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.941 -3.697 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.407 -4.298 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.514 -5.274 -3.275 1.00 0.00 H new ATOM 439 N ASN A 31 -12.302 -6.707 -0.827 1.00 0.00 N ATOM 440 CA ASN A 31 -12.470 -8.155 -1.004 1.00 0.00 C ATOM 441 C ASN A 31 -12.743 -8.799 0.337 1.00 0.00 C ATOM 442 O ASN A 31 -12.723 -10.020 0.479 1.00 0.00 O ATOM 443 CB ASN A 31 -11.218 -8.803 -1.636 1.00 0.00 C ATOM 444 CG ASN A 31 -10.930 -8.344 -3.056 1.00 0.00 C ATOM 445 OD1 ASN A 31 -9.682 -8.359 -3.431 1.00 0.00 O flip ATOM 446 ND2 ASN A 31 -11.829 -7.997 -3.814 1.00 0.00 N flip ATOM 0 H ASN A 31 -11.490 -6.442 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.311 -8.314 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.353 -8.581 -1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.343 -9.886 -1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.796 -7.996 -3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.609 -7.709 -4.768 1.00 0.00 H new ATOM 453 N VAL A 32 -13.004 -7.969 1.321 1.00 0.00 N ATOM 454 CA VAL A 32 -13.233 -8.437 2.682 1.00 0.00 C ATOM 455 C VAL A 32 -14.719 -8.385 3.015 1.00 0.00 C ATOM 456 O VAL A 32 -15.229 -9.193 3.784 1.00 0.00 O ATOM 457 CB VAL A 32 -12.441 -7.571 3.702 1.00 0.00 C ATOM 458 CG1 VAL A 32 -12.610 -8.077 5.124 1.00 0.00 C ATOM 459 CG2 VAL A 32 -10.974 -7.528 3.333 1.00 0.00 C ATOM 0 H VAL A 32 -13.065 -6.957 1.209 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.884 -9.468 2.749 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.850 -6.561 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.041 -7.445 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.665 -8.048 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.246 -9.102 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.434 -6.918 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.568 -8.540 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.861 -7.096 2.339 1.00 0.00 H new ATOM 469 N GLY A 33 -15.411 -7.464 2.396 1.00 0.00 N ATOM 470 CA GLY A 33 -16.803 -7.293 2.694 1.00 0.00 C ATOM 471 C GLY A 33 -17.225 -5.861 2.581 1.00 0.00 C ATOM 472 O GLY A 33 -18.404 -5.567 2.476 1.00 0.00 O ATOM 0 H GLY A 33 -15.036 -6.829 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.398 -7.902 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.005 -7.653 3.703 1.00 0.00 H new ATOM 476 N SER A 34 -16.259 -4.964 2.592 1.00 0.00 N ATOM 477 CA SER A 34 -16.550 -3.549 2.496 1.00 0.00 C ATOM 478 C SER A 34 -16.935 -3.212 1.066 1.00 0.00 C ATOM 479 O SER A 34 -17.974 -2.589 0.833 1.00 0.00 O ATOM 480 CB SER A 34 -15.341 -2.717 2.968 1.00 0.00 C ATOM 481 OG SER A 34 -15.586 -1.316 2.924 1.00 0.00 O ATOM 0 H SER A 34 -15.267 -5.190 2.666 1.00 0.00 H new ATOM 0 HA SER A 34 -17.388 -3.302 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.083 -3.005 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.479 -2.950 2.343 1.00 0.00 H new ATOM 0 HG SER A 34 -14.791 -0.835 3.234 1.00 0.00 H new ATOM 487 N ASN A 35 -16.113 -3.684 0.118 1.00 0.00 N ATOM 488 CA ASN A 35 -16.329 -3.477 -1.322 1.00 0.00 C ATOM 489 C ASN A 35 -16.365 -1.987 -1.673 1.00 0.00 C ATOM 490 O ASN A 35 -17.407 -1.335 -1.625 1.00 0.00 O ATOM 491 CB ASN A 35 -17.599 -4.188 -1.793 1.00 0.00 C ATOM 492 CG ASN A 35 -17.867 -4.060 -3.291 1.00 0.00 C ATOM 493 OD1 ASN A 35 -19.027 -3.979 -3.702 1.00 0.00 O ATOM 494 ND2 ASN A 35 -16.831 -4.119 -4.118 1.00 0.00 N ATOM 0 H ASN A 35 -15.274 -4.224 0.330 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.483 -3.917 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -17.527 -5.245 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -18.452 -3.785 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.982 -4.098 -5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.884 -4.186 -3.745 1.00 0.00 H new ATOM 501 N THR A 36 -15.220 -1.457 -1.985 1.00 0.00 N ATOM 502 CA THR A 36 -15.074 -0.059 -2.279 1.00 0.00 C ATOM 503 C THR A 36 -14.932 0.182 -3.773 1.00 0.00 C ATOM 504 O THR A 36 -14.754 1.312 -4.236 1.00 0.00 O ATOM 505 CB THR A 36 -13.881 0.505 -1.508 1.00 0.00 C ATOM 506 OG1 THR A 36 -12.803 -0.455 -1.549 1.00 0.00 O ATOM 507 CG2 THR A 36 -14.259 0.791 -0.060 1.00 0.00 C ATOM 0 H THR A 36 -14.351 -1.987 -2.044 1.00 0.00 H new ATOM 0 HA THR A 36 -15.976 0.462 -1.959 1.00 0.00 H new ATOM 0 HB THR A 36 -13.569 1.441 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.494 -0.640 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.395 1.192 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.070 1.518 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.583 -0.132 0.421 1.00 0.00 H new HETATM 515 N TYC A 37 -15.011 -0.884 -4.511 1.00 0.00 N HETATM 516 CA TYC A 37 -14.917 -0.843 -5.948 1.00 0.00 C HETATM 517 C TYC A 37 -16.077 -1.605 -6.550 1.00 0.00 C HETATM 518 O TYC A 37 -15.980 -2.805 -6.821 1.00 0.00 O HETATM 519 CB TYC A 37 -13.572 -1.420 -6.422 1.00 0.00 C HETATM 520 CG TYC A 37 -12.375 -0.658 -5.907 1.00 0.00 C HETATM 521 CD1 TYC A 37 -11.686 -1.096 -4.794 1.00 0.00 C HETATM 522 CD2 TYC A 37 -11.949 0.508 -6.525 1.00 0.00 C HETATM 523 CE1 TYC A 37 -10.609 -0.404 -4.302 1.00 0.00 C HETATM 524 CE2 TYC A 37 -10.867 1.208 -6.042 1.00 0.00 C HETATM 525 OH TYC A 37 -9.118 1.441 -4.434 1.00 0.00 O HETATM 526 CZ TYC A 37 -10.200 0.747 -4.928 1.00 0.00 C HETATM 527 NXT TYC A 37 -17.175 -0.928 -6.735 1.00 0.00 N HETATM 0 HT22 TYC A 37 -17.994 -1.384 -7.137 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -17.216 0.058 -6.477 1.00 0.00 H new HETATM 0 HH TYC A 37 -8.955 2.231 -4.990 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -10.540 2.122 -6.538 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -10.081 -0.766 -3.420 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -12.478 0.875 -7.405 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -12.005 -2.011 -4.295 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -13.498 -2.459 -6.100 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -13.550 -1.422 -7.512 1.00 0.00 H new HETATM 0 HA TYC A 37 -14.965 0.194 -6.281 1.00 0.00 H new TER 539 TYC A 37