USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 130:sc= 0.0832 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -150:sc= -0.0348 (180deg=-0.384) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 4 THR OG1 : rot -170:sc= -2.78 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -78:sc= 0.689 USER MOD Single : A 10 GLN : amide:sc= -3.62! K(o=-3.6!,f=-1.3) USER MOD Single : A 14 ASN : amide:sc= -0.083 K(o=-0.083,f=-1.9!) USER MOD Single : A 18 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-2.8!) USER MOD Single : A 19 SER OG : rot -89:sc= 0.0287 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.38) USER MOD Single : A 22 ASN : amide:sc= -0.715 K(o=-0.71,f=-0.028) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -8.45! C(o=-8.5!,f=-16!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.936 -19.735 4.737 1.00 0.00 N ATOM 2 CA LYS A 1 -12.725 -19.356 3.955 1.00 0.00 C ATOM 3 C LYS A 1 -12.498 -20.359 2.821 1.00 0.00 C ATOM 4 O LYS A 1 -13.264 -21.283 2.633 1.00 0.00 O ATOM 5 CB LYS A 1 -11.574 -19.400 4.961 1.00 0.00 C ATOM 6 CG LYS A 1 -11.377 -18.008 5.566 1.00 0.00 C ATOM 7 CD LYS A 1 -10.063 -17.969 6.348 1.00 0.00 C ATOM 8 CE LYS A 1 -10.356 -17.720 7.830 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.838 -16.312 7.900 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.706 -19.744 5.751 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.693 -19.045 4.560 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.255 -20.681 4.446 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.818 -18.373 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.790 -20.123 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.658 -19.728 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.365 -17.256 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.211 -17.765 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.527 -18.910 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.418 -17.182 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.109 -18.413 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.462 -17.861 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.584 -15.903 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.396 -15.756 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.872 -16.293 7.786 1.00 0.00 H new ATOM 25 N CYS A 2 -11.456 -20.179 2.059 1.00 0.00 N ATOM 26 CA CYS A 2 -11.185 -21.116 0.931 1.00 0.00 C ATOM 27 C CYS A 2 -10.889 -22.523 1.463 1.00 0.00 C ATOM 28 O CYS A 2 -11.744 -23.385 1.476 1.00 0.00 O ATOM 29 CB CYS A 2 -9.960 -20.530 0.226 1.00 0.00 C ATOM 30 SG CYS A 2 -9.509 -21.575 -1.181 1.00 0.00 S ATOM 0 H CYS A 2 -10.779 -19.424 2.168 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.036 -21.214 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.174 -19.517 -0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.125 -20.462 0.923 1.00 0.00 H new ATOM 35 N ASN A 3 -9.683 -22.756 1.902 1.00 0.00 N ATOM 36 CA ASN A 3 -9.314 -24.098 2.433 1.00 0.00 C ATOM 37 C ASN A 3 -7.846 -24.059 2.839 1.00 0.00 C ATOM 38 O ASN A 3 -7.431 -24.662 3.810 1.00 0.00 O ATOM 39 CB ASN A 3 -9.525 -25.068 1.266 1.00 0.00 C ATOM 40 CG ASN A 3 -9.794 -26.472 1.811 1.00 0.00 C ATOM 41 OD1 ASN A 3 -9.235 -26.864 2.816 1.00 0.00 O ATOM 42 ND2 ASN A 3 -10.633 -27.252 1.186 1.00 0.00 N ATOM 0 H ASN A 3 -8.931 -22.067 1.916 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.903 -24.397 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.363 -24.738 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.644 -25.078 0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.819 -28.190 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.103 -26.924 0.342 1.00 0.00 H new ATOM 49 N THR A 4 -7.068 -23.325 2.099 1.00 0.00 N ATOM 50 CA THR A 4 -5.624 -23.193 2.413 1.00 0.00 C ATOM 51 C THR A 4 -5.308 -21.733 2.694 1.00 0.00 C ATOM 52 O THR A 4 -5.511 -20.876 1.860 1.00 0.00 O ATOM 53 CB THR A 4 -4.899 -23.667 1.154 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.231 -22.812 0.069 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.319 -25.099 0.822 1.00 0.00 C ATOM 0 H THR A 4 -7.377 -22.804 1.278 1.00 0.00 H new ATOM 0 HA THR A 4 -5.325 -23.770 3.288 1.00 0.00 H new ATOM 0 HB THR A 4 -3.823 -23.640 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.898 -23.200 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.799 -25.432 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.063 -25.755 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.395 -25.132 0.652 1.00 0.00 H new ATOM 63 N ALA A 5 -4.810 -21.445 3.862 1.00 0.00 N ATOM 64 CA ALA A 5 -4.468 -20.036 4.197 1.00 0.00 C ATOM 65 C ALA A 5 -3.814 -19.366 2.986 1.00 0.00 C ATOM 66 O ALA A 5 -3.866 -18.167 2.825 1.00 0.00 O ATOM 67 CB ALA A 5 -3.480 -20.133 5.359 1.00 0.00 C ATOM 0 H ALA A 5 -4.625 -22.124 4.600 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.343 -19.442 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.179 -19.131 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.954 -20.642 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.601 -20.695 5.043 1.00 0.00 H new ATOM 73 N THR A 6 -3.211 -20.143 2.126 1.00 0.00 N ATOM 74 CA THR A 6 -2.563 -19.563 0.916 1.00 0.00 C ATOM 75 C THR A 6 -3.631 -19.154 -0.102 1.00 0.00 C ATOM 76 O THR A 6 -3.492 -18.163 -0.789 1.00 0.00 O ATOM 77 CB THR A 6 -1.693 -20.689 0.357 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.965 -20.211 -0.766 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.585 -21.855 -0.068 1.00 0.00 C ATOM 0 H THR A 6 -3.140 -21.157 2.211 1.00 0.00 H new ATOM 0 HA THR A 6 -1.978 -18.672 1.143 1.00 0.00 H new ATOM 0 HB THR A 6 -0.995 -21.027 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.406 -20.932 -1.124 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.967 -22.659 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.143 -22.220 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.282 -21.519 -0.835 1.00 0.00 H new ATOM 87 N CYS A 7 -4.697 -19.907 -0.198 1.00 0.00 N ATOM 88 CA CYS A 7 -5.779 -19.558 -1.165 1.00 0.00 C ATOM 89 C CYS A 7 -6.664 -18.461 -0.578 1.00 0.00 C ATOM 90 O CYS A 7 -6.829 -17.405 -1.157 1.00 0.00 O ATOM 91 CB CYS A 7 -6.574 -20.852 -1.362 1.00 0.00 C ATOM 92 SG CYS A 7 -8.141 -20.481 -2.190 1.00 0.00 S ATOM 0 H CYS A 7 -4.864 -20.749 0.353 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.388 -19.181 -2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.996 -21.559 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.763 -21.325 -0.398 1.00 0.00 H new ATOM 97 N ALA A 8 -7.226 -18.692 0.574 1.00 0.00 N ATOM 98 CA ALA A 8 -8.081 -17.646 1.197 1.00 0.00 C ATOM 99 C ALA A 8 -7.349 -16.311 1.131 1.00 0.00 C ATOM 100 O ALA A 8 -7.786 -15.387 0.478 1.00 0.00 O ATOM 101 CB ALA A 8 -8.269 -18.091 2.647 1.00 0.00 C ATOM 0 H ALA A 8 -7.131 -19.555 1.109 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.041 -17.524 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.891 -17.366 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.753 -19.068 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.297 -18.157 3.136 1.00 0.00 H new ATOM 107 N THR A 9 -6.221 -16.211 1.779 1.00 0.00 N ATOM 108 CA THR A 9 -5.461 -14.938 1.715 1.00 0.00 C ATOM 109 C THR A 9 -5.260 -14.568 0.249 1.00 0.00 C ATOM 110 O THR A 9 -5.305 -13.422 -0.126 1.00 0.00 O ATOM 111 CB THR A 9 -4.121 -15.220 2.394 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.423 -16.218 1.665 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.367 -15.701 3.826 1.00 0.00 C ATOM 0 H THR A 9 -5.799 -16.949 2.343 1.00 0.00 H new ATOM 0 HA THR A 9 -5.974 -14.111 2.205 1.00 0.00 H new ATOM 0 HB THR A 9 -3.524 -14.308 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.795 -17.099 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.412 -15.902 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.901 -14.930 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.963 -16.613 3.806 1.00 0.00 H new ATOM 121 N GLN A 10 -5.045 -15.536 -0.593 1.00 0.00 N ATOM 122 CA GLN A 10 -4.856 -15.223 -2.029 1.00 0.00 C ATOM 123 C GLN A 10 -6.103 -14.530 -2.589 1.00 0.00 C ATOM 124 O GLN A 10 -6.019 -13.680 -3.454 1.00 0.00 O ATOM 125 CB GLN A 10 -4.656 -16.579 -2.713 1.00 0.00 C ATOM 126 CG GLN A 10 -3.189 -16.743 -3.119 1.00 0.00 C ATOM 127 CD GLN A 10 -2.723 -15.490 -3.863 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.541 -15.224 -3.945 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.609 -14.703 -4.411 1.00 0.00 N ATOM 0 H GLN A 10 -4.992 -16.525 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.012 -14.552 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.948 -17.384 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.297 -16.651 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.572 -16.905 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.072 -17.621 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.602 -14.927 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.308 -13.865 -4.908 1.00 0.00 H new ATOM 138 N ARG A 11 -7.260 -14.870 -2.088 1.00 0.00 N ATOM 139 CA ARG A 11 -8.507 -14.229 -2.587 1.00 0.00 C ATOM 140 C ARG A 11 -8.788 -13.028 -1.718 1.00 0.00 C ATOM 141 O ARG A 11 -9.056 -11.934 -2.176 1.00 0.00 O ATOM 142 CB ARG A 11 -9.588 -15.294 -2.410 1.00 0.00 C ATOM 143 CG ARG A 11 -10.485 -15.323 -3.647 1.00 0.00 C ATOM 144 CD ARG A 11 -10.275 -16.643 -4.393 1.00 0.00 C ATOM 145 NE ARG A 11 -9.618 -16.263 -5.674 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.573 -17.118 -6.660 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.624 -17.309 -7.408 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.472 -17.778 -6.902 1.00 0.00 N ATOM 0 H ARG A 11 -7.394 -15.565 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.451 -13.894 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.129 -16.271 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.182 -15.079 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.530 -15.219 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.251 -14.482 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.651 -17.326 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.223 -17.150 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.204 -15.337 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.483 -16.790 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.587 -17.977 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.648 -17.625 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.437 -18.446 -7.672 1.00 0.00 H new ATOM 162 N LEU A 12 -8.684 -13.242 -0.454 1.00 0.00 N ATOM 163 CA LEU A 12 -8.890 -12.155 0.508 1.00 0.00 C ATOM 164 C LEU A 12 -7.846 -11.078 0.270 1.00 0.00 C ATOM 165 O LEU A 12 -8.163 -9.939 -0.006 1.00 0.00 O ATOM 166 CB LEU A 12 -8.685 -12.851 1.844 1.00 0.00 C ATOM 167 CG LEU A 12 -10.029 -13.337 2.386 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.420 -14.640 1.687 1.00 0.00 C ATOM 169 CD2 LEU A 12 -9.912 -13.581 3.893 1.00 0.00 C ATOM 0 H LEU A 12 -8.460 -14.146 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.860 -11.661 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.004 -13.694 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.222 -12.166 2.554 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.792 -12.582 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.378 -14.987 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.503 -14.467 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.658 -15.396 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.870 -13.928 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.149 -14.337 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.633 -12.653 4.391 1.00 0.00 H new ATOM 181 N ALA A 13 -6.602 -11.439 0.341 1.00 0.00 N ATOM 182 CA ALA A 13 -5.542 -10.434 0.083 1.00 0.00 C ATOM 183 C ALA A 13 -5.736 -9.889 -1.322 1.00 0.00 C ATOM 184 O ALA A 13 -5.385 -8.766 -1.622 1.00 0.00 O ATOM 185 CB ALA A 13 -4.210 -11.174 0.203 1.00 0.00 C ATOM 0 H ALA A 13 -6.274 -12.378 0.565 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.572 -9.599 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.390 -10.479 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.116 -11.593 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.173 -11.978 -0.532 1.00 0.00 H new ATOM 191 N ASN A 14 -6.332 -10.670 -2.184 1.00 0.00 N ATOM 192 CA ASN A 14 -6.585 -10.174 -3.555 1.00 0.00 C ATOM 193 C ASN A 14 -7.206 -8.790 -3.439 1.00 0.00 C ATOM 194 O ASN A 14 -6.762 -7.849 -4.052 1.00 0.00 O ATOM 195 CB ASN A 14 -7.581 -11.162 -4.170 1.00 0.00 C ATOM 196 CG ASN A 14 -7.436 -11.160 -5.693 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.779 -10.303 -6.250 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.030 -12.087 -6.393 1.00 0.00 N ATOM 0 H ASN A 14 -6.650 -11.621 -1.994 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.685 -10.102 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.402 -12.164 -3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.599 -10.888 -3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.943 -12.093 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.581 -12.806 -5.924 1.00 0.00 H new ATOM 205 N PHE A 15 -8.228 -8.664 -2.632 1.00 0.00 N ATOM 206 CA PHE A 15 -8.877 -7.333 -2.450 1.00 0.00 C ATOM 207 C PHE A 15 -8.245 -6.629 -1.249 1.00 0.00 C ATOM 208 O PHE A 15 -8.257 -5.420 -1.147 1.00 0.00 O ATOM 209 CB PHE A 15 -10.359 -7.618 -2.163 1.00 0.00 C ATOM 210 CG PHE A 15 -10.765 -8.925 -2.797 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.638 -9.106 -4.176 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.242 -9.962 -1.991 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.996 -10.328 -4.752 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.598 -11.183 -2.564 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.477 -11.370 -3.947 1.00 0.00 C ATOM 0 H PHE A 15 -8.640 -9.425 -2.092 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.757 -6.697 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.528 -7.658 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.976 -6.808 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.264 -8.304 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.335 -9.818 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.902 -10.470 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.967 -11.984 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.754 -12.314 -4.392 1.00 0.00 H new ATOM 225 N LEU A 16 -7.701 -7.382 -0.328 1.00 0.00 N ATOM 226 CA LEU A 16 -7.084 -6.742 0.872 1.00 0.00 C ATOM 227 C LEU A 16 -5.807 -6.010 0.471 1.00 0.00 C ATOM 228 O LEU A 16 -5.511 -4.940 0.960 1.00 0.00 O ATOM 229 CB LEU A 16 -6.780 -7.890 1.835 1.00 0.00 C ATOM 230 CG LEU A 16 -7.252 -7.513 3.240 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.410 -6.350 3.764 1.00 0.00 C ATOM 232 CD2 LEU A 16 -8.724 -7.095 3.186 1.00 0.00 C ATOM 0 H LEU A 16 -7.657 -8.401 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.741 -6.004 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.280 -8.800 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.710 -8.099 1.843 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.141 -8.370 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.745 -6.080 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.362 -6.647 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.521 -5.492 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.063 -6.826 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.835 -6.237 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.324 -7.924 2.811 1.00 0.00 H new ATOM 244 N VAL A 17 -5.055 -6.570 -0.429 1.00 0.00 N ATOM 245 CA VAL A 17 -3.808 -5.895 -0.875 1.00 0.00 C ATOM 246 C VAL A 17 -4.136 -4.946 -2.027 1.00 0.00 C ATOM 247 O VAL A 17 -3.505 -3.924 -2.208 1.00 0.00 O ATOM 248 CB VAL A 17 -2.892 -7.024 -1.342 1.00 0.00 C ATOM 249 CG1 VAL A 17 -1.476 -6.487 -1.541 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.874 -8.130 -0.283 1.00 0.00 C ATOM 0 H VAL A 17 -5.249 -7.466 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.339 -5.303 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.261 -7.425 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.824 -7.295 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.489 -5.697 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.103 -6.085 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.221 -8.938 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.504 -7.726 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.884 -8.514 -0.141 1.00 0.00 H new ATOM 260 N HIS A 18 -5.129 -5.284 -2.805 1.00 0.00 N ATOM 261 CA HIS A 18 -5.517 -4.418 -3.954 1.00 0.00 C ATOM 262 C HIS A 18 -6.397 -3.259 -3.487 1.00 0.00 C ATOM 263 O HIS A 18 -6.199 -2.125 -3.869 1.00 0.00 O ATOM 264 CB HIS A 18 -6.324 -5.329 -4.874 1.00 0.00 C ATOM 265 CG HIS A 18 -5.406 -6.299 -5.567 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.555 -6.628 -6.920 1.00 0.00 N ATOM 267 CD2 HIS A 18 -4.330 -7.032 -5.117 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.595 -7.523 -7.231 1.00 0.00 C ATOM 269 NE2 HIS A 18 -3.847 -7.784 -6.170 1.00 0.00 N ATOM 0 H HIS A 18 -5.691 -6.128 -2.693 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.645 -3.984 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.073 -5.872 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.861 -4.732 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.932 -7.021 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.456 -7.964 -8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.055 -8.426 -6.136 1.00 0.00 H new ATOM 277 N SER A 19 -7.387 -3.537 -2.688 1.00 0.00 N ATOM 278 CA SER A 19 -8.297 -2.448 -2.229 1.00 0.00 C ATOM 279 C SER A 19 -7.762 -1.755 -0.968 1.00 0.00 C ATOM 280 O SER A 19 -7.988 -0.580 -0.757 1.00 0.00 O ATOM 281 CB SER A 19 -9.624 -3.156 -1.942 1.00 0.00 C ATOM 282 OG SER A 19 -9.926 -3.056 -0.556 1.00 0.00 O ATOM 0 H SER A 19 -7.607 -4.467 -2.333 1.00 0.00 H new ATOM 0 HA SER A 19 -8.395 -1.659 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.423 -2.707 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.560 -4.204 -2.236 1.00 0.00 H new ATOM 0 HG SER A 19 -9.526 -3.813 -0.079 1.00 0.00 H new ATOM 288 N SER A 20 -7.072 -2.467 -0.123 1.00 0.00 N ATOM 289 CA SER A 20 -6.551 -1.836 1.125 1.00 0.00 C ATOM 290 C SER A 20 -5.136 -1.281 0.937 1.00 0.00 C ATOM 291 O SER A 20 -4.809 -0.233 1.447 1.00 0.00 O ATOM 292 CB SER A 20 -6.554 -2.950 2.170 1.00 0.00 C ATOM 293 OG SER A 20 -7.119 -2.460 3.379 1.00 0.00 O ATOM 0 H SER A 20 -6.846 -3.455 -0.240 1.00 0.00 H new ATOM 0 HA SER A 20 -7.167 -0.987 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.127 -3.803 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.537 -3.301 2.347 1.00 0.00 H new ATOM 0 HG SER A 20 -7.124 -3.174 4.051 1.00 0.00 H new ATOM 299 N ASN A 21 -4.284 -1.980 0.235 1.00 0.00 N ATOM 300 CA ASN A 21 -2.883 -1.481 0.059 1.00 0.00 C ATOM 301 C ASN A 21 -2.782 -0.472 -1.091 1.00 0.00 C ATOM 302 O ASN A 21 -1.771 0.182 -1.259 1.00 0.00 O ATOM 303 CB ASN A 21 -2.048 -2.726 -0.253 1.00 0.00 C ATOM 304 CG ASN A 21 -0.676 -2.599 0.414 1.00 0.00 C ATOM 305 OD1 ASN A 21 -0.177 -1.506 0.601 1.00 0.00 O ATOM 306 ND2 ASN A 21 -0.041 -3.676 0.785 1.00 0.00 N ATOM 0 H ASN A 21 -4.492 -2.868 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.537 -0.960 0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.558 -3.619 0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.931 -2.838 -1.331 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.873 -3.601 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.458 -4.593 0.629 1.00 0.00 H new ATOM 313 N ASN A 22 -3.805 -0.339 -1.886 1.00 0.00 N ATOM 314 CA ASN A 22 -3.740 0.627 -3.024 1.00 0.00 C ATOM 315 C ASN A 22 -3.395 2.034 -2.528 1.00 0.00 C ATOM 316 O ASN A 22 -2.442 2.641 -2.965 1.00 0.00 O ATOM 317 CB ASN A 22 -5.136 0.606 -3.645 1.00 0.00 C ATOM 318 CG ASN A 22 -5.289 1.783 -4.611 1.00 0.00 C ATOM 319 OD1 ASN A 22 -5.030 1.649 -5.790 1.00 0.00 O ATOM 320 ND2 ASN A 22 -5.701 2.936 -4.161 1.00 0.00 N ATOM 0 H ASN A 22 -4.682 -0.854 -1.801 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.967 0.354 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.295 -0.334 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.893 0.664 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.806 3.725 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.919 3.049 -3.171 1.00 0.00 H new ATOM 327 N PHE A 23 -4.164 2.557 -1.619 1.00 0.00 N ATOM 328 CA PHE A 23 -3.886 3.928 -1.101 1.00 0.00 C ATOM 329 C PHE A 23 -2.409 4.063 -0.717 1.00 0.00 C ATOM 330 O PHE A 23 -1.874 5.149 -0.648 1.00 0.00 O ATOM 331 CB PHE A 23 -4.796 4.089 0.124 1.00 0.00 C ATOM 332 CG PHE A 23 -4.188 3.400 1.327 1.00 0.00 C ATOM 333 CD1 PHE A 23 -3.713 2.087 1.225 1.00 0.00 C ATOM 334 CD2 PHE A 23 -4.100 4.082 2.547 1.00 0.00 C ATOM 335 CE1 PHE A 23 -3.151 1.456 2.343 1.00 0.00 C ATOM 336 CE2 PHE A 23 -3.539 3.449 3.664 1.00 0.00 C ATOM 337 CZ PHE A 23 -3.063 2.138 3.561 1.00 0.00 C ATOM 0 H PHE A 23 -4.976 2.096 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.082 4.699 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.943 5.147 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.779 3.667 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.780 1.560 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.464 5.096 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.786 0.443 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.474 3.974 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.628 1.652 4.422 1.00 0.00 H new ATOM 347 N GLY A 24 -1.749 2.970 -0.472 1.00 0.00 N ATOM 348 CA GLY A 24 -0.307 3.043 -0.090 1.00 0.00 C ATOM 349 C GLY A 24 0.572 2.973 -1.344 1.00 0.00 C ATOM 350 O GLY A 24 1.492 3.750 -1.517 1.00 0.00 O ATOM 0 H GLY A 24 -2.140 2.029 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.112 3.970 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.059 2.223 0.584 1.00 0.00 H new ATOM 354 N ALA A 25 0.302 2.040 -2.213 1.00 0.00 N ATOM 355 CA ALA A 25 1.130 1.904 -3.446 1.00 0.00 C ATOM 356 C ALA A 25 0.982 3.133 -4.349 1.00 0.00 C ATOM 357 O ALA A 25 1.827 3.406 -5.176 1.00 0.00 O ATOM 358 CB ALA A 25 0.589 0.657 -4.144 1.00 0.00 C ATOM 0 H ALA A 25 -0.457 1.364 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 25 2.192 1.822 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.146 0.485 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.700 -0.205 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.466 0.801 -4.380 1.00 0.00 H new ATOM 364 N ILE A 26 -0.070 3.885 -4.195 1.00 0.00 N ATOM 365 CA ILE A 26 -0.240 5.097 -5.039 1.00 0.00 C ATOM 366 C ILE A 26 0.351 6.278 -4.301 1.00 0.00 C ATOM 367 O ILE A 26 0.968 7.145 -4.884 1.00 0.00 O ATOM 368 CB ILE A 26 -1.741 5.218 -5.246 1.00 0.00 C ATOM 369 CG1 ILE A 26 -2.255 3.865 -5.743 1.00 0.00 C ATOM 370 CG2 ILE A 26 -2.034 6.299 -6.288 1.00 0.00 C ATOM 371 CD1 ILE A 26 -1.333 3.343 -6.853 1.00 0.00 C ATOM 0 H ILE A 26 -0.818 3.713 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 26 0.266 5.050 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.234 5.494 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.289 3.152 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.273 3.967 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.111 6.382 -6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.640 7.254 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.560 6.032 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.699 2.379 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.321 4.053 -7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.323 3.226 -6.461 1.00 0.00 H new ATOM 383 N LEU A 27 0.226 6.285 -3.009 1.00 0.00 N ATOM 384 CA LEU A 27 0.854 7.368 -2.229 1.00 0.00 C ATOM 385 C LEU A 27 2.304 7.460 -2.692 1.00 0.00 C ATOM 386 O LEU A 27 2.924 8.505 -2.672 1.00 0.00 O ATOM 387 CB LEU A 27 0.746 6.890 -0.787 1.00 0.00 C ATOM 388 CG LEU A 27 -0.534 7.449 -0.163 1.00 0.00 C ATOM 389 CD1 LEU A 27 -0.685 6.906 1.259 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.451 8.976 -0.120 1.00 0.00 C ATOM 0 H LEU A 27 -0.283 5.589 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 27 0.401 8.353 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.735 5.801 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.615 7.218 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.394 7.147 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.597 7.303 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.740 5.818 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.174 7.209 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.362 9.378 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.408 9.277 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.340 9.363 -1.133 1.00 0.00 H new ATOM 402 N SER A 28 2.826 6.353 -3.156 1.00 0.00 N ATOM 403 CA SER A 28 4.218 6.331 -3.681 1.00 0.00 C ATOM 404 C SER A 28 4.343 7.376 -4.793 1.00 0.00 C ATOM 405 O SER A 28 5.414 7.859 -5.102 1.00 0.00 O ATOM 406 CB SER A 28 4.387 4.920 -4.253 1.00 0.00 C ATOM 407 OG SER A 28 4.668 4.013 -3.195 1.00 0.00 O ATOM 0 H SER A 28 2.340 5.457 -3.192 1.00 0.00 H new ATOM 0 HA SER A 28 4.970 6.557 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.480 4.616 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.196 4.906 -4.983 1.00 0.00 H new ATOM 0 HG SER A 28 4.775 3.109 -3.559 1.00 0.00 H new ATOM 413 N SER A 29 3.236 7.721 -5.389 1.00 0.00 N ATOM 414 CA SER A 29 3.232 8.731 -6.483 1.00 0.00 C ATOM 415 C SER A 29 1.965 9.569 -6.397 1.00 0.00 C ATOM 416 O SER A 29 1.995 10.690 -5.952 1.00 0.00 O ATOM 417 CB SER A 29 3.252 7.915 -7.774 1.00 0.00 C ATOM 418 OG SER A 29 4.573 7.448 -8.020 1.00 0.00 O ATOM 0 H SER A 29 2.318 7.339 -5.160 1.00 0.00 H new ATOM 0 HA SER A 29 4.078 9.416 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.566 7.072 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.910 8.527 -8.609 1.00 0.00 H new ATOM 0 HG SER A 29 4.586 6.923 -8.847 1.00 0.00 H new ATOM 424 N THR A 30 0.857 9.034 -6.823 1.00 0.00 N ATOM 425 CA THR A 30 -0.428 9.795 -6.765 1.00 0.00 C ATOM 426 C THR A 30 -0.385 10.982 -7.734 1.00 0.00 C ATOM 427 O THR A 30 -1.249 11.140 -8.573 1.00 0.00 O ATOM 428 CB THR A 30 -0.578 10.212 -5.282 1.00 0.00 C ATOM 429 OG1 THR A 30 -1.914 9.970 -4.867 1.00 0.00 O ATOM 430 CG2 THR A 30 -0.248 11.697 -5.048 1.00 0.00 C ATOM 0 H THR A 30 0.782 8.094 -7.213 1.00 0.00 H new ATOM 0 HA THR A 30 -1.293 9.210 -7.079 1.00 0.00 H new ATOM 0 HB THR A 30 0.131 9.621 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.017 10.230 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.370 11.935 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.782 11.893 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.922 12.317 -5.639 1.00 0.00 H new ATOM 438 N ASN A 31 0.615 11.807 -7.636 1.00 0.00 N ATOM 439 CA ASN A 31 0.719 12.970 -8.558 1.00 0.00 C ATOM 440 C ASN A 31 1.936 12.792 -9.468 1.00 0.00 C ATOM 441 O ASN A 31 2.219 13.620 -10.308 1.00 0.00 O ATOM 442 CB ASN A 31 0.895 14.187 -7.651 1.00 0.00 C ATOM 443 CG ASN A 31 2.072 13.954 -6.706 1.00 0.00 C ATOM 444 OD1 ASN A 31 2.082 13.007 -5.948 1.00 0.00 O ATOM 445 ND2 ASN A 31 3.072 14.784 -6.717 1.00 0.00 N ATOM 0 H ASN A 31 1.369 11.727 -6.954 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.155 13.076 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.069 15.079 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.016 14.361 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.863 14.638 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.066 15.581 -7.353 1.00 0.00 H new ATOM 452 N VAL A 32 2.652 11.711 -9.308 1.00 0.00 N ATOM 453 CA VAL A 32 3.846 11.473 -10.168 1.00 0.00 C ATOM 454 C VAL A 32 4.866 12.610 -9.993 1.00 0.00 C ATOM 455 O VAL A 32 5.777 12.762 -10.782 1.00 0.00 O ATOM 456 CB VAL A 32 3.280 11.407 -11.601 1.00 0.00 C ATOM 457 CG1 VAL A 32 3.741 12.606 -12.442 1.00 0.00 C ATOM 458 CG2 VAL A 32 3.754 10.117 -12.272 1.00 0.00 C ATOM 0 H VAL A 32 2.461 10.983 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 32 4.384 10.560 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 32 2.192 11.429 -11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.324 12.528 -13.446 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.397 13.530 -11.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.829 12.612 -12.501 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.356 10.067 -13.285 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.843 10.105 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.401 9.259 -11.700 1.00 0.00 H new ATOM 468 N GLY A 33 4.724 13.403 -8.966 1.00 0.00 N ATOM 469 CA GLY A 33 5.692 14.517 -8.752 1.00 0.00 C ATOM 470 C GLY A 33 4.976 15.861 -8.896 1.00 0.00 C ATOM 471 O GLY A 33 4.522 16.222 -9.963 1.00 0.00 O ATOM 0 H GLY A 33 3.983 13.329 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.139 14.437 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.505 14.448 -9.475 1.00 0.00 H new ATOM 475 N SER A 34 4.875 16.605 -7.828 1.00 0.00 N ATOM 476 CA SER A 34 4.190 17.930 -7.900 1.00 0.00 C ATOM 477 C SER A 34 4.591 18.664 -9.182 1.00 0.00 C ATOM 478 O SER A 34 5.760 18.819 -9.480 1.00 0.00 O ATOM 479 CB SER A 34 4.679 18.693 -6.669 1.00 0.00 C ATOM 480 OG SER A 34 4.234 18.028 -5.490 1.00 0.00 O ATOM 0 H SER A 34 5.237 16.354 -6.908 1.00 0.00 H new ATOM 0 HA SER A 34 3.104 17.835 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.767 18.756 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.301 19.715 -6.688 1.00 0.00 H new ATOM 0 HG SER A 34 4.549 18.516 -4.701 1.00 0.00 H new ATOM 486 N ASN A 35 3.632 19.113 -9.946 1.00 0.00 N ATOM 487 CA ASN A 35 3.963 19.831 -11.210 1.00 0.00 C ATOM 488 C ASN A 35 3.028 21.027 -11.404 1.00 0.00 C ATOM 489 O ASN A 35 1.890 20.879 -11.802 1.00 0.00 O ATOM 490 CB ASN A 35 3.748 18.802 -12.320 1.00 0.00 C ATOM 491 CG ASN A 35 5.097 18.436 -12.943 1.00 0.00 C ATOM 492 OD1 ASN A 35 5.930 17.828 -12.301 1.00 0.00 O ATOM 493 ND2 ASN A 35 5.349 18.786 -14.175 1.00 0.00 N ATOM 0 H ASN A 35 2.636 19.014 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 35 4.981 20.221 -11.205 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.268 17.911 -11.916 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.081 19.206 -13.082 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.246 18.549 -14.599 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.649 19.296 -14.713 1.00 0.00 H new ATOM 500 N THR A 36 3.503 22.213 -11.135 1.00 0.00 N ATOM 501 CA THR A 36 2.643 23.419 -11.313 1.00 0.00 C ATOM 502 C THR A 36 3.124 24.227 -12.523 1.00 0.00 C ATOM 503 O THR A 36 4.011 25.050 -12.418 1.00 0.00 O ATOM 504 CB THR A 36 2.816 24.229 -10.027 1.00 0.00 C ATOM 505 OG1 THR A 36 4.020 23.838 -9.382 1.00 0.00 O ATOM 506 CG2 THR A 36 1.629 23.976 -9.095 1.00 0.00 C ATOM 0 H THR A 36 4.448 22.399 -10.800 1.00 0.00 H new ATOM 0 HA THR A 36 1.599 23.161 -11.490 1.00 0.00 H new ATOM 0 HB THR A 36 2.861 25.291 -10.270 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.134 24.357 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.755 24.554 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.706 24.278 -9.591 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.579 22.915 -8.850 1.00 0.00 H new ATOM 514 N TYR A 37 2.550 23.992 -13.673 1.00 0.00 N ATOM 515 CA TYR A 37 2.981 24.744 -14.886 1.00 0.00 C ATOM 516 C TYR A 37 3.046 26.245 -14.587 1.00 0.00 C ATOM 517 O TYR A 37 3.856 26.917 -15.202 1.00 0.00 O ATOM 518 CB TYR A 37 1.911 24.439 -15.942 1.00 0.00 C ATOM 519 CG TYR A 37 0.683 25.284 -15.692 1.00 0.00 C ATOM 520 CD1 TYR A 37 0.668 26.627 -16.088 1.00 0.00 C ATOM 521 CD2 TYR A 37 -0.439 24.726 -15.066 1.00 0.00 C ATOM 522 CE1 TYR A 37 -0.469 27.411 -15.860 1.00 0.00 C ATOM 523 CE2 TYR A 37 -1.576 25.510 -14.838 1.00 0.00 C ATOM 524 CZ TYR A 37 -1.591 26.853 -15.234 1.00 0.00 C ATOM 525 OH TYR A 37 -2.711 27.627 -15.011 1.00 0.00 O ATOM 526 OXT TYR A 37 2.284 26.694 -13.747 1.00 0.00 O ATOM 0 H TYR A 37 1.803 23.314 -13.824 1.00 0.00 H new ATOM 0 HA TYR A 37 3.976 24.453 -15.224 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.304 24.640 -16.939 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.648 23.382 -15.910 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.534 27.058 -16.569 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.427 23.691 -14.759 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.481 28.446 -16.167 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.442 25.079 -14.357 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.399 27.087 -14.569 1.00 0.00 H new TER 536 TYR A 37