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+ -97:sc= -0.115 (180deg=-1.34!) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.27) USER MOD Single : A 3 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 4 THR OG1 : rot 27:sc= -0.879 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.064) USER MOD Single : A 14 ASN : amide:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 105:sc= 0.768 USER MOD Single : A 21 ASN : amide:sc=-0.00903 X(o=-0.009,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 28 SER OG : rot 79:sc= 0.412 USER MOD Single : A 29 SER OG : rot 162:sc= 0.0725 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -8.2! K(o=-8.2!,f=-2.6) USER MOD Single : A 34 SER OG : rot 160:sc= -0.402 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.110 -20.584 2.635 1.00 0.00 N ATOM 2 CA LYS A 1 -14.623 -20.488 2.736 1.00 0.00 C ATOM 3 C LYS A 1 -13.960 -21.179 1.541 1.00 0.00 C ATOM 4 O LYS A 1 -14.494 -22.113 0.975 1.00 0.00 O ATOM 5 CB LYS A 1 -14.255 -21.205 4.037 1.00 0.00 C ATOM 6 CG LYS A 1 -14.610 -22.689 3.925 1.00 0.00 C ATOM 7 CD LYS A 1 -15.214 -23.171 5.245 1.00 0.00 C ATOM 8 CE LYS A 1 -15.786 -24.577 5.059 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.595 -25.470 4.969 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.487 -19.709 2.219 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.366 -21.392 2.032 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.514 -20.718 3.584 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.284 -19.452 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.190 -21.090 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.788 -20.756 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.318 -22.844 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.719 -23.270 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.453 -23.176 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.998 -22.487 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.426 -24.856 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.395 -24.639 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.884 -26.453 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.178 -25.398 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.891 -25.183 5.679 1.00 0.00 H new ATOM 25 N CYS A 2 -12.798 -20.728 1.161 1.00 0.00 N ATOM 26 CA CYS A 2 -12.083 -21.351 0.011 1.00 0.00 C ATOM 27 C CYS A 2 -11.829 -22.840 0.310 1.00 0.00 C ATOM 28 O CYS A 2 -12.689 -23.671 0.093 1.00 0.00 O ATOM 29 CB CYS A 2 -10.782 -20.545 -0.088 1.00 0.00 C ATOM 30 SG CYS A 2 -9.851 -20.987 -1.576 1.00 0.00 S ATOM 0 H CYS A 2 -12.308 -19.949 1.601 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.638 -21.327 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -11.011 -19.479 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.170 -20.728 0.795 1.00 0.00 H new ATOM 35 N ASN A 3 -10.674 -23.185 0.820 1.00 0.00 N ATOM 36 CA ASN A 3 -10.388 -24.620 1.141 1.00 0.00 C ATOM 37 C ASN A 3 -8.968 -24.730 1.687 1.00 0.00 C ATOM 38 O ASN A 3 -8.656 -25.552 2.526 1.00 0.00 O ATOM 39 CB ASN A 3 -10.508 -25.369 -0.188 1.00 0.00 C ATOM 40 CG ASN A 3 -10.268 -26.861 0.045 1.00 0.00 C ATOM 41 OD1 ASN A 3 -11.091 -27.537 0.628 1.00 0.00 O ATOM 42 ND2 ASN A 3 -9.165 -27.408 -0.389 1.00 0.00 N ATOM 0 H ASN A 3 -9.915 -22.536 1.029 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.069 -25.028 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.497 -25.212 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.783 -24.980 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.995 -28.402 -0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.473 -26.841 -0.879 1.00 0.00 H new ATOM 49 N THR A 4 -8.120 -23.876 1.207 1.00 0.00 N ATOM 50 CA THR A 4 -6.706 -23.848 1.654 1.00 0.00 C ATOM 51 C THR A 4 -6.352 -22.436 2.114 1.00 0.00 C ATOM 52 O THR A 4 -6.414 -21.488 1.361 1.00 0.00 O ATOM 53 CB THR A 4 -5.881 -24.255 0.431 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.428 -23.661 -0.736 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.900 -25.778 0.285 1.00 0.00 C ATOM 0 H THR A 4 -8.353 -23.176 0.503 1.00 0.00 H new ATOM 0 HA THR A 4 -6.515 -24.519 2.492 1.00 0.00 H new ATOM 0 HB THR A 4 -4.854 -23.914 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.888 -22.830 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.312 -26.067 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.474 -26.234 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.928 -26.119 0.159 1.00 0.00 H new ATOM 63 N ALA A 5 -5.975 -22.290 3.353 1.00 0.00 N ATOM 64 CA ALA A 5 -5.609 -20.941 3.876 1.00 0.00 C ATOM 65 C ALA A 5 -4.701 -20.196 2.888 1.00 0.00 C ATOM 66 O ALA A 5 -4.514 -18.999 2.991 1.00 0.00 O ATOM 67 CB ALA A 5 -4.865 -21.218 5.183 1.00 0.00 C ATOM 0 H ALA A 5 -5.904 -23.049 4.030 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.486 -20.310 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.559 -20.274 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.522 -21.753 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.983 -21.825 4.978 1.00 0.00 H new ATOM 73 N THR A 6 -4.138 -20.885 1.932 1.00 0.00 N ATOM 74 CA THR A 6 -3.251 -20.212 0.948 1.00 0.00 C ATOM 75 C THR A 6 -4.087 -19.642 -0.192 1.00 0.00 C ATOM 76 O THR A 6 -3.729 -18.667 -0.822 1.00 0.00 O ATOM 77 CB THR A 6 -2.346 -21.331 0.428 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.482 -20.814 -0.576 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.211 -22.451 -0.164 1.00 0.00 C ATOM 0 H THR A 6 -4.257 -21.888 1.792 1.00 0.00 H new ATOM 0 HA THR A 6 -2.687 -19.386 1.382 1.00 0.00 H new ATOM 0 HB THR A 6 -1.749 -21.729 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.901 -21.530 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.568 -23.249 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.872 -22.846 0.607 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.808 -22.054 -0.985 1.00 0.00 H new ATOM 87 N CYS A 7 -5.199 -20.253 -0.459 1.00 0.00 N ATOM 88 CA CYS A 7 -6.070 -19.778 -1.557 1.00 0.00 C ATOM 89 C CYS A 7 -7.046 -18.731 -1.035 1.00 0.00 C ATOM 90 O CYS A 7 -7.373 -17.776 -1.710 1.00 0.00 O ATOM 91 CB CYS A 7 -6.798 -21.040 -2.006 1.00 0.00 C ATOM 92 SG CYS A 7 -8.060 -21.482 -0.799 1.00 0.00 S ATOM 0 H CYS A 7 -5.545 -21.071 0.043 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.524 -19.302 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.256 -20.878 -2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.088 -21.859 -2.119 1.00 0.00 H new ATOM 97 N ALA A 8 -7.507 -18.903 0.167 1.00 0.00 N ATOM 98 CA ALA A 8 -8.454 -17.920 0.737 1.00 0.00 C ATOM 99 C ALA A 8 -7.691 -16.647 1.074 1.00 0.00 C ATOM 100 O ALA A 8 -7.959 -15.594 0.536 1.00 0.00 O ATOM 101 CB ALA A 8 -9.004 -18.582 2.001 1.00 0.00 C ATOM 0 H ALA A 8 -7.267 -19.683 0.779 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.260 -17.651 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.716 -17.912 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.504 -19.513 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.184 -18.793 2.687 1.00 0.00 H new ATOM 107 N THR A 9 -6.731 -16.744 1.951 1.00 0.00 N ATOM 108 CA THR A 9 -5.939 -15.543 2.321 1.00 0.00 C ATOM 109 C THR A 9 -5.301 -14.918 1.070 1.00 0.00 C ATOM 110 O THR A 9 -5.118 -13.719 0.999 1.00 0.00 O ATOM 111 CB THR A 9 -4.886 -16.060 3.321 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.887 -15.221 4.467 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.482 -16.064 2.701 1.00 0.00 C ATOM 0 H THR A 9 -6.462 -17.605 2.427 1.00 0.00 H new ATOM 0 HA THR A 9 -6.545 -14.753 2.765 1.00 0.00 H new ATOM 0 HB THR A 9 -5.142 -17.084 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.221 -15.544 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.763 -16.434 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.473 -16.711 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.211 -15.050 2.407 1.00 0.00 H new ATOM 121 N GLN A 10 -4.953 -15.709 0.085 1.00 0.00 N ATOM 122 CA GLN A 10 -4.328 -15.128 -1.129 1.00 0.00 C ATOM 123 C GLN A 10 -5.384 -14.441 -2.003 1.00 0.00 C ATOM 124 O GLN A 10 -5.091 -13.518 -2.741 1.00 0.00 O ATOM 125 CB GLN A 10 -3.704 -16.317 -1.861 1.00 0.00 C ATOM 126 CG GLN A 10 -3.040 -15.837 -3.154 1.00 0.00 C ATOM 127 CD GLN A 10 -3.613 -16.614 -4.340 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.921 -16.040 -5.366 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.767 -17.907 -4.245 1.00 0.00 N ATOM 0 H GLN A 10 -5.076 -16.722 0.074 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.587 -14.367 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.967 -16.804 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.469 -17.059 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.211 -14.769 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.961 -15.982 -3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.509 -18.389 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.146 -18.435 -5.032 1.00 0.00 H new ATOM 138 N ARG A 11 -6.620 -14.846 -1.898 1.00 0.00 N ATOM 139 CA ARG A 11 -7.679 -14.186 -2.705 1.00 0.00 C ATOM 140 C ARG A 11 -8.228 -13.062 -1.863 1.00 0.00 C ATOM 141 O ARG A 11 -8.411 -11.945 -2.304 1.00 0.00 O ATOM 142 CB ARG A 11 -8.737 -15.263 -2.958 1.00 0.00 C ATOM 143 CG ARG A 11 -9.217 -15.180 -4.408 1.00 0.00 C ATOM 144 CD ARG A 11 -10.635 -15.747 -4.513 1.00 0.00 C ATOM 145 NE ARG A 11 -10.477 -17.213 -4.301 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.937 -18.054 -5.188 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.011 -17.764 -5.870 1.00 0.00 N ATOM 148 NH2 ARG A 11 -10.319 -19.186 -5.394 1.00 0.00 N ATOM 0 H ARG A 11 -6.939 -15.601 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.332 -13.778 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.321 -16.250 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.578 -15.128 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.203 -14.144 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.542 -15.738 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.293 -15.308 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.075 -15.534 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.010 -17.560 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.493 -16.879 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.369 -18.422 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.478 -19.412 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.677 -19.844 -6.086 1.00 0.00 H new ATOM 162 N LEU A 12 -8.448 -13.363 -0.626 1.00 0.00 N ATOM 163 CA LEU A 12 -8.943 -12.347 0.319 1.00 0.00 C ATOM 164 C LEU A 12 -7.917 -11.217 0.441 1.00 0.00 C ATOM 165 O LEU A 12 -8.257 -10.051 0.434 1.00 0.00 O ATOM 166 CB LEU A 12 -9.067 -13.119 1.624 1.00 0.00 C ATOM 167 CG LEU A 12 -10.479 -13.694 1.754 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.399 -15.177 2.127 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.239 -12.937 2.845 1.00 0.00 C ATOM 0 H LEU A 12 -8.303 -14.289 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.881 -11.881 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.333 -13.924 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.853 -12.462 2.467 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.001 -13.587 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.406 -15.584 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.858 -15.719 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.876 -15.286 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.245 -13.346 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.715 -13.044 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.300 -11.881 2.581 1.00 0.00 H new ATOM 181 N ALA A 13 -6.663 -11.559 0.535 1.00 0.00 N ATOM 182 CA ALA A 13 -5.610 -10.510 0.640 1.00 0.00 C ATOM 183 C ALA A 13 -5.552 -9.715 -0.667 1.00 0.00 C ATOM 184 O ALA A 13 -5.230 -8.545 -0.683 1.00 0.00 O ATOM 185 CB ALA A 13 -4.303 -11.269 0.864 1.00 0.00 C ATOM 0 H ALA A 13 -6.321 -12.520 0.544 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.804 -9.803 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.480 -10.559 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.375 -11.855 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.120 -11.935 0.021 1.00 0.00 H new ATOM 191 N ASN A 14 -5.881 -10.349 -1.763 1.00 0.00 N ATOM 192 CA ASN A 14 -5.868 -9.644 -3.073 1.00 0.00 C ATOM 193 C ASN A 14 -6.874 -8.503 -3.029 1.00 0.00 C ATOM 194 O ASN A 14 -6.598 -7.396 -3.448 1.00 0.00 O ATOM 195 CB ASN A 14 -6.295 -10.691 -4.102 1.00 0.00 C ATOM 196 CG ASN A 14 -5.685 -10.348 -5.463 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.388 -9.972 -6.380 1.00 0.00 O ATOM 198 ND2 ASN A 14 -4.396 -10.460 -5.632 1.00 0.00 N ATOM 0 H ASN A 14 -6.159 -11.330 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.892 -9.224 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.969 -11.682 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.382 -10.721 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.978 -10.232 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.806 -10.776 -4.862 1.00 0.00 H new ATOM 205 N PHE A 15 -8.039 -8.757 -2.499 1.00 0.00 N ATOM 206 CA PHE A 15 -9.053 -7.673 -2.404 1.00 0.00 C ATOM 207 C PHE A 15 -8.608 -6.703 -1.316 1.00 0.00 C ATOM 208 O PHE A 15 -9.014 -5.561 -1.280 1.00 0.00 O ATOM 209 CB PHE A 15 -10.376 -8.346 -2.012 1.00 0.00 C ATOM 210 CG PHE A 15 -10.488 -9.708 -2.659 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.028 -9.901 -3.965 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.052 -10.775 -1.949 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.133 -11.163 -4.565 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.157 -12.037 -2.548 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.697 -12.230 -3.856 1.00 0.00 C ATOM 0 H PHE A 15 -8.330 -9.662 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.169 -7.125 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.433 -8.446 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.214 -7.721 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.592 -9.078 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.406 -10.625 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.779 -11.312 -5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.592 -12.860 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.777 -13.203 -4.318 1.00 0.00 H new ATOM 225 N LEU A 16 -7.759 -7.149 -0.427 1.00 0.00 N ATOM 226 CA LEU A 16 -7.284 -6.236 0.651 1.00 0.00 C ATOM 227 C LEU A 16 -6.546 -5.061 0.034 1.00 0.00 C ATOM 228 O LEU A 16 -6.690 -3.944 0.466 1.00 0.00 O ATOM 229 CB LEU A 16 -6.341 -7.073 1.514 1.00 0.00 C ATOM 230 CG LEU A 16 -6.643 -6.821 2.991 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.605 -7.893 3.507 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.339 -6.874 3.789 1.00 0.00 C ATOM 0 H LEU A 16 -7.378 -8.095 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.105 -5.831 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.462 -8.131 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.305 -6.815 1.295 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.102 -5.839 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.820 -7.713 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.533 -7.855 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.149 -8.876 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.550 -6.695 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.881 -7.856 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.656 -6.109 3.421 1.00 0.00 H new ATOM 244 N VAL A 17 -5.766 -5.295 -0.981 1.00 0.00 N ATOM 245 CA VAL A 17 -5.039 -4.161 -1.618 1.00 0.00 C ATOM 246 C VAL A 17 -5.931 -3.500 -2.671 1.00 0.00 C ATOM 247 O VAL A 17 -6.033 -2.289 -2.752 1.00 0.00 O ATOM 248 CB VAL A 17 -3.810 -4.788 -2.275 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.850 -3.684 -2.726 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.103 -5.698 -1.268 1.00 0.00 C ATOM 0 H VAL A 17 -5.600 -6.212 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.761 -3.391 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.121 -5.373 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.974 -4.133 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.353 -3.035 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.539 -3.097 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.226 -6.146 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.793 -5.112 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.785 -6.485 -0.948 1.00 0.00 H new ATOM 260 N HIS A 18 -6.579 -4.294 -3.476 1.00 0.00 N ATOM 261 CA HIS A 18 -7.465 -3.740 -4.535 1.00 0.00 C ATOM 262 C HIS A 18 -8.737 -3.140 -3.928 1.00 0.00 C ATOM 263 O HIS A 18 -9.100 -2.017 -4.216 1.00 0.00 O ATOM 264 CB HIS A 18 -7.804 -4.943 -5.414 1.00 0.00 C ATOM 265 CG HIS A 18 -6.696 -5.163 -6.406 1.00 0.00 C ATOM 266 ND1 HIS A 18 -6.818 -4.801 -7.753 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.434 -5.703 -6.273 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.662 -5.124 -8.369 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.815 -5.665 -7.506 1.00 0.00 N ATOM 0 H HIS A 18 -6.532 -5.312 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.986 -2.935 -5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.937 -5.832 -4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.746 -4.773 -5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.004 -6.089 -5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.456 -4.964 -9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.873 -5.995 -7.716 1.00 0.00 H new ATOM 277 N SER A 19 -9.422 -3.881 -3.098 1.00 0.00 N ATOM 278 CA SER A 19 -10.678 -3.350 -2.487 1.00 0.00 C ATOM 279 C SER A 19 -10.372 -2.199 -1.528 1.00 0.00 C ATOM 280 O SER A 19 -11.062 -1.200 -1.505 1.00 0.00 O ATOM 281 CB SER A 19 -11.291 -4.528 -1.734 1.00 0.00 C ATOM 282 OG SER A 19 -12.696 -4.336 -1.631 1.00 0.00 O ATOM 0 H SER A 19 -9.168 -4.828 -2.817 1.00 0.00 H new ATOM 0 HA SER A 19 -11.356 -2.953 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.077 -5.460 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.849 -4.610 -0.741 1.00 0.00 H new ATOM 0 HG SER A 19 -13.095 -5.091 -1.150 1.00 0.00 H new ATOM 288 N SER A 20 -9.347 -2.323 -0.736 1.00 0.00 N ATOM 289 CA SER A 20 -9.016 -1.227 0.213 1.00 0.00 C ATOM 290 C SER A 20 -8.991 0.108 -0.526 1.00 0.00 C ATOM 291 O SER A 20 -9.682 1.033 -0.170 1.00 0.00 O ATOM 292 CB SER A 20 -7.635 -1.575 0.756 1.00 0.00 C ATOM 293 OG SER A 20 -7.779 -2.463 1.857 1.00 0.00 O ATOM 0 H SER A 20 -8.726 -3.132 -0.704 1.00 0.00 H new ATOM 0 HA SER A 20 -9.748 -1.132 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.030 -2.038 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.115 -0.670 1.068 1.00 0.00 H new ATOM 0 HG SER A 20 -7.533 -3.370 1.580 1.00 0.00 H new ATOM 299 N ASN A 21 -8.210 0.217 -1.559 1.00 0.00 N ATOM 300 CA ASN A 21 -8.166 1.501 -2.317 1.00 0.00 C ATOM 301 C ASN A 21 -9.324 1.553 -3.324 1.00 0.00 C ATOM 302 O ASN A 21 -9.429 2.462 -4.128 1.00 0.00 O ATOM 303 CB ASN A 21 -6.818 1.490 -3.035 1.00 0.00 C ATOM 304 CG ASN A 21 -6.084 2.805 -2.763 1.00 0.00 C ATOM 305 OD1 ASN A 21 -5.851 3.582 -3.667 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.706 3.090 -1.545 1.00 0.00 N ATOM 0 H ASN A 21 -7.602 -0.521 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.269 2.373 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.217 0.648 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.966 1.359 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.216 3.964 -1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.901 2.438 -0.785 1.00 0.00 H new ATOM 313 N ASN A 22 -10.193 0.579 -3.285 1.00 0.00 N ATOM 314 CA ASN A 22 -11.337 0.563 -4.240 1.00 0.00 C ATOM 315 C ASN A 22 -12.397 1.589 -3.840 1.00 0.00 C ATOM 316 O ASN A 22 -12.887 2.334 -4.662 1.00 0.00 O ATOM 317 CB ASN A 22 -11.912 -0.851 -4.155 1.00 0.00 C ATOM 318 CG ASN A 22 -13.033 -1.010 -5.185 1.00 0.00 C ATOM 319 OD1 ASN A 22 -14.194 -0.847 -4.867 1.00 0.00 O ATOM 320 ND2 ASN A 22 -12.731 -1.326 -6.414 1.00 0.00 N ATOM 0 H ASN A 22 -10.160 -0.205 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.019 0.819 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.128 -1.585 -4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.296 -1.039 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.470 -1.436 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.756 -1.463 -6.681 1.00 0.00 H new ATOM 327 N PHE A 23 -12.764 1.631 -2.590 1.00 0.00 N ATOM 328 CA PHE A 23 -13.804 2.612 -2.165 1.00 0.00 C ATOM 329 C PHE A 23 -13.448 3.993 -2.702 1.00 0.00 C ATOM 330 O PHE A 23 -14.303 4.827 -2.922 1.00 0.00 O ATOM 331 CB PHE A 23 -13.814 2.589 -0.627 1.00 0.00 C ATOM 332 CG PHE A 23 -12.557 3.217 -0.061 1.00 0.00 C ATOM 333 CD1 PHE A 23 -12.303 4.585 -0.233 1.00 0.00 C ATOM 334 CD2 PHE A 23 -11.650 2.427 0.655 1.00 0.00 C ATOM 335 CE1 PHE A 23 -11.145 5.158 0.307 1.00 0.00 C ATOM 336 CE2 PHE A 23 -10.491 3.000 1.193 1.00 0.00 C ATOM 337 CZ PHE A 23 -10.238 4.364 1.020 1.00 0.00 C ATOM 0 H PHE A 23 -12.394 1.035 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 23 -14.792 2.362 -2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -14.689 3.125 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -13.899 1.560 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -13.002 5.198 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.844 1.374 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.951 6.212 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.792 2.387 1.742 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.344 4.805 1.436 1.00 0.00 H new ATOM 347 N GLY A 24 -12.189 4.232 -2.926 1.00 0.00 N ATOM 348 CA GLY A 24 -11.771 5.556 -3.462 1.00 0.00 C ATOM 349 C GLY A 24 -12.065 5.603 -4.963 1.00 0.00 C ATOM 350 O GLY A 24 -12.537 6.594 -5.485 1.00 0.00 O ATOM 0 H GLY A 24 -11.431 3.569 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.306 6.355 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.708 5.716 -3.282 1.00 0.00 H new ATOM 354 N ALA A 25 -11.786 4.534 -5.659 1.00 0.00 N ATOM 355 CA ALA A 25 -12.042 4.510 -7.130 1.00 0.00 C ATOM 356 C ALA A 25 -13.548 4.541 -7.433 1.00 0.00 C ATOM 357 O ALA A 25 -13.961 4.964 -8.494 1.00 0.00 O ATOM 358 CB ALA A 25 -11.430 3.195 -7.614 1.00 0.00 C ATOM 0 H ALA A 25 -11.392 3.676 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.611 5.379 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.576 3.100 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.363 3.186 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.914 2.360 -7.107 1.00 0.00 H new ATOM 364 N ILE A 26 -14.374 4.104 -6.517 1.00 0.00 N ATOM 365 CA ILE A 26 -15.847 4.121 -6.768 1.00 0.00 C ATOM 366 C ILE A 26 -16.412 5.426 -6.254 1.00 0.00 C ATOM 367 O ILE A 26 -17.176 6.096 -6.915 1.00 0.00 O ATOM 368 CB ILE A 26 -16.388 2.928 -5.987 1.00 0.00 C ATOM 369 CG1 ILE A 26 -15.500 1.708 -6.262 1.00 0.00 C ATOM 370 CG2 ILE A 26 -17.823 2.631 -6.421 1.00 0.00 C ATOM 371 CD1 ILE A 26 -15.069 1.699 -7.734 1.00 0.00 C ATOM 0 H ILE A 26 -14.093 3.737 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.113 4.049 -7.823 1.00 0.00 H new ATOM 0 HB ILE A 26 -16.382 3.155 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.622 1.733 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.042 0.792 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.204 1.778 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.449 3.502 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.841 2.401 -7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.439 0.830 -7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.952 1.652 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.510 2.608 -7.955 1.00 0.00 H new ATOM 383 N LEU A 27 -15.992 5.816 -5.092 1.00 0.00 N ATOM 384 CA LEU A 27 -16.444 7.112 -4.549 1.00 0.00 C ATOM 385 C LEU A 27 -16.269 8.154 -5.652 1.00 0.00 C ATOM 386 O LEU A 27 -16.970 9.143 -5.722 1.00 0.00 O ATOM 387 CB LEU A 27 -15.490 7.361 -3.386 1.00 0.00 C ATOM 388 CG LEU A 27 -16.085 6.821 -2.075 1.00 0.00 C ATOM 389 CD1 LEU A 27 -16.889 5.542 -2.332 1.00 0.00 C ATOM 390 CD2 LEU A 27 -14.951 6.513 -1.097 1.00 0.00 C ATOM 0 H LEU A 27 -15.354 5.291 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.484 7.144 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.533 6.878 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.295 8.429 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.750 7.576 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.301 5.176 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.702 5.756 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.236 4.782 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.368 6.130 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.288 5.766 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.388 7.424 -0.895 1.00 0.00 H new ATOM 402 N SER A 28 -15.341 7.896 -6.538 1.00 0.00 N ATOM 403 CA SER A 28 -15.097 8.811 -7.680 1.00 0.00 C ATOM 404 C SER A 28 -16.374 8.919 -8.508 1.00 0.00 C ATOM 405 O SER A 28 -16.678 9.943 -9.091 1.00 0.00 O ATOM 406 CB SER A 28 -13.998 8.115 -8.482 1.00 0.00 C ATOM 407 OG SER A 28 -12.737 8.406 -7.895 1.00 0.00 O ATOM 0 H SER A 28 -14.736 7.075 -6.513 1.00 0.00 H new ATOM 0 HA SER A 28 -14.813 9.820 -7.380 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.167 7.038 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.017 8.453 -9.518 1.00 0.00 H new ATOM 0 HG SER A 28 -12.603 7.836 -7.109 1.00 0.00 H new ATOM 413 N SER A 29 -17.120 7.853 -8.557 1.00 0.00 N ATOM 414 CA SER A 29 -18.384 7.844 -9.332 1.00 0.00 C ATOM 415 C SER A 29 -19.460 7.108 -8.534 1.00 0.00 C ATOM 416 O SER A 29 -20.280 7.719 -7.887 1.00 0.00 O ATOM 417 CB SER A 29 -18.043 7.066 -10.600 1.00 0.00 C ATOM 418 OG SER A 29 -17.270 7.890 -11.463 1.00 0.00 O ATOM 0 H SER A 29 -16.902 6.976 -8.085 1.00 0.00 H new ATOM 0 HA SER A 29 -18.761 8.843 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.488 6.162 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.957 6.749 -11.103 1.00 0.00 H new ATOM 0 HG SER A 29 -16.813 7.331 -12.126 1.00 0.00 H new ATOM 424 N THR A 30 -19.428 5.793 -8.601 1.00 0.00 N ATOM 425 CA THR A 30 -20.407 4.894 -7.886 1.00 0.00 C ATOM 426 C THR A 30 -20.706 3.717 -8.798 1.00 0.00 C ATOM 427 O THR A 30 -20.737 2.571 -8.395 1.00 0.00 O ATOM 428 CB THR A 30 -21.701 5.682 -7.646 1.00 0.00 C ATOM 429 OG1 THR A 30 -22.663 4.827 -7.045 1.00 0.00 O ATOM 430 CG2 THR A 30 -22.261 6.217 -8.965 1.00 0.00 C ATOM 0 H THR A 30 -18.733 5.283 -9.146 1.00 0.00 H new ATOM 0 HA THR A 30 -20.001 4.548 -6.935 1.00 0.00 H new ATOM 0 HB THR A 30 -21.481 6.525 -6.991 1.00 0.00 H new ATOM 0 HG1 THR A 30 -23.492 5.326 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 -23.179 6.773 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 30 -21.529 6.877 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 30 -22.475 5.384 -9.634 1.00 0.00 H new ATOM 438 N ASN A 31 -20.919 4.023 -10.038 1.00 0.00 N ATOM 439 CA ASN A 31 -21.217 2.968 -11.053 1.00 0.00 C ATOM 440 C ASN A 31 -20.946 3.476 -12.486 1.00 0.00 C ATOM 441 O ASN A 31 -20.854 2.695 -13.411 1.00 0.00 O ATOM 442 CB ASN A 31 -22.710 2.637 -10.868 1.00 0.00 C ATOM 443 CG ASN A 31 -23.561 3.551 -11.759 1.00 0.00 C ATOM 444 OD1 ASN A 31 -24.509 3.109 -12.378 1.00 0.00 O ATOM 445 ND2 ASN A 31 -23.257 4.815 -11.839 1.00 0.00 N ATOM 0 H ASN A 31 -20.901 4.974 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 31 -20.583 2.092 -10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -22.894 1.593 -11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -22.993 2.766 -9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -23.815 5.438 -12.423 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -22.461 5.182 -11.318 1.00 0.00 H new ATOM 452 N VAL A 32 -20.825 4.768 -12.687 1.00 0.00 N ATOM 453 CA VAL A 32 -20.575 5.282 -14.062 1.00 0.00 C ATOM 454 C VAL A 32 -19.194 4.842 -14.546 1.00 0.00 C ATOM 455 O VAL A 32 -18.828 5.044 -15.687 1.00 0.00 O ATOM 456 CB VAL A 32 -20.646 6.801 -13.926 1.00 0.00 C ATOM 457 CG1 VAL A 32 -20.348 7.452 -15.278 1.00 0.00 C ATOM 458 CG2 VAL A 32 -22.050 7.197 -13.463 1.00 0.00 C ATOM 0 H VAL A 32 -20.889 5.481 -11.960 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.295 4.904 -14.788 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.910 7.139 -13.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -20.399 8.536 -15.179 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.350 7.164 -15.608 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -21.082 7.120 -16.012 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -22.108 8.281 -13.364 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -22.783 6.860 -14.196 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -22.260 6.733 -12.499 1.00 0.00 H new ATOM 468 N GLY A 33 -18.426 4.242 -13.683 1.00 0.00 N ATOM 469 CA GLY A 33 -17.067 3.785 -14.085 1.00 0.00 C ATOM 470 C GLY A 33 -16.017 4.575 -13.306 1.00 0.00 C ATOM 471 O GLY A 33 -15.883 5.773 -13.459 1.00 0.00 O ATOM 0 H GLY A 33 -18.680 4.047 -12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.956 2.719 -13.888 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.925 3.928 -15.156 1.00 0.00 H new ATOM 475 N SER A 34 -15.276 3.912 -12.465 1.00 0.00 N ATOM 476 CA SER A 34 -14.233 4.614 -11.661 1.00 0.00 C ATOM 477 C SER A 34 -13.264 5.373 -12.575 1.00 0.00 C ATOM 478 O SER A 34 -13.569 5.670 -13.713 1.00 0.00 O ATOM 479 CB SER A 34 -13.500 3.499 -10.917 1.00 0.00 C ATOM 480 OG SER A 34 -14.447 2.558 -10.431 1.00 0.00 O ATOM 0 H SER A 34 -15.347 2.908 -12.297 1.00 0.00 H new ATOM 0 HA SER A 34 -14.665 5.351 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.790 3.008 -11.582 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.926 3.915 -10.089 1.00 0.00 H new ATOM 0 HG SER A 34 -13.997 1.707 -10.246 1.00 0.00 H new ATOM 486 N ASN A 35 -12.097 5.691 -12.079 1.00 0.00 N ATOM 487 CA ASN A 35 -11.101 6.433 -12.909 1.00 0.00 C ATOM 488 C ASN A 35 -11.581 7.865 -13.156 1.00 0.00 C ATOM 489 O ASN A 35 -12.697 8.095 -13.576 1.00 0.00 O ATOM 490 CB ASN A 35 -11.015 5.660 -14.227 1.00 0.00 C ATOM 491 CG ASN A 35 -9.570 5.673 -14.733 1.00 0.00 C ATOM 492 OD1 ASN A 35 -9.043 6.715 -15.071 1.00 0.00 O ATOM 493 ND2 ASN A 35 -8.905 4.554 -14.800 1.00 0.00 N ATOM 0 H ASN A 35 -11.790 5.468 -11.132 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.130 6.502 -12.418 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.351 4.633 -14.081 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.675 6.110 -14.968 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.942 4.552 -15.136 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.348 3.680 -14.516 1.00 0.00 H new ATOM 500 N THR A 36 -10.744 8.831 -12.897 1.00 0.00 N ATOM 501 CA THR A 36 -11.149 10.249 -13.114 1.00 0.00 C ATOM 502 C THR A 36 -11.435 10.497 -14.598 1.00 0.00 C ATOM 503 O THR A 36 -10.525 10.630 -15.390 1.00 0.00 O ATOM 504 CB THR A 36 -9.952 11.083 -12.649 1.00 0.00 C ATOM 505 OG1 THR A 36 -8.833 10.232 -12.434 1.00 0.00 O ATOM 506 CG2 THR A 36 -10.308 11.799 -11.345 1.00 0.00 C ATOM 0 H THR A 36 -9.796 8.700 -12.544 1.00 0.00 H new ATOM 0 HA THR A 36 -12.058 10.506 -12.569 1.00 0.00 H new ATOM 0 HB THR A 36 -9.704 11.820 -13.413 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.067 10.767 -12.138 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.457 12.393 -11.012 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.164 12.453 -11.511 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.557 11.062 -10.581 1.00 0.00 H new ATOM 514 N TYR A 37 -12.700 10.565 -14.955 1.00 0.00 N ATOM 515 CA TYR A 37 -13.124 10.811 -16.369 1.00 0.00 C ATOM 516 C TYR A 37 -11.948 10.770 -17.354 1.00 0.00 C ATOM 517 O TYR A 37 -11.736 9.726 -17.948 1.00 0.00 O ATOM 518 CB TYR A 37 -13.749 12.201 -16.323 1.00 0.00 C ATOM 519 CG TYR A 37 -12.703 13.213 -15.922 1.00 0.00 C ATOM 520 CD1 TYR A 37 -12.240 13.254 -14.601 1.00 0.00 C ATOM 521 CD2 TYR A 37 -12.195 14.108 -16.871 1.00 0.00 C ATOM 522 CE1 TYR A 37 -11.270 14.192 -14.229 1.00 0.00 C ATOM 523 CE2 TYR A 37 -11.225 15.046 -16.500 1.00 0.00 C ATOM 524 CZ TYR A 37 -10.762 15.087 -15.179 1.00 0.00 C ATOM 525 OH TYR A 37 -9.808 16.012 -14.812 1.00 0.00 O ATOM 526 OXT TYR A 37 -11.280 11.781 -17.495 1.00 0.00 O ATOM 0 H TYR A 37 -13.476 10.456 -14.302 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.808 10.041 -16.725 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.163 12.457 -17.298 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.575 12.216 -15.612 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.631 12.562 -13.870 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.552 14.075 -17.890 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -10.914 14.226 -13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.834 15.737 -17.232 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.562 16.555 -15.590 1.00 0.00 H new TER 536 TYR A 37