USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 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 Set 1.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 10 GLN : amide:sc= -3! K(o=-3!,f=-1.8) USER MOD Set 2.1: A 3 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.39) USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.418) USER MOD Single : A 9 THR OG1 : rot 85:sc= 0.908 USER MOD Single : A 14 ASN : amide:sc=-0.00718 X(o=-0.0072,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 67:sc= -0.159 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 79:sc= 0.273 USER MOD Single : A 29 SER OG : rot 26:sc= 0.1 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 31 ASN : amide:sc= 0.423 K(o=0.42,f=-1.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.049 K(o=-0.049,f=-1.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00513 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.499 -19.922 -2.796 1.00 0.00 N ATOM 2 CA LYS A 1 -15.232 -20.991 -1.790 1.00 0.00 C ATOM 3 C LYS A 1 -14.026 -21.832 -2.219 1.00 0.00 C ATOM 4 O LYS A 1 -14.109 -22.632 -3.131 1.00 0.00 O ATOM 5 CB LYS A 1 -16.502 -21.844 -1.775 1.00 0.00 C ATOM 6 CG LYS A 1 -17.433 -21.360 -0.662 1.00 0.00 C ATOM 7 CD LYS A 1 -18.263 -22.536 -0.141 1.00 0.00 C ATOM 8 CE LYS A 1 -18.876 -23.292 -1.325 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.850 -22.340 -1.935 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.319 -19.358 -2.494 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.666 -19.305 -2.877 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.699 -20.356 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.001 -20.584 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.007 -21.779 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.246 -22.892 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.850 -20.925 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.090 -20.576 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.635 -23.206 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.050 -22.175 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.111 -23.586 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.372 -24.205 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.505 -22.861 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -20.388 -21.864 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.337 -21.630 -2.496 1.00 0.00 H new ATOM 25 N CYS A 2 -12.907 -21.662 -1.569 1.00 0.00 N ATOM 26 CA CYS A 2 -11.701 -22.455 -1.941 1.00 0.00 C ATOM 27 C CYS A 2 -11.545 -23.654 -0.994 1.00 0.00 C ATOM 28 O CYS A 2 -12.314 -24.592 -1.056 1.00 0.00 O ATOM 29 CB CYS A 2 -10.524 -21.484 -1.814 1.00 0.00 C ATOM 30 SG CYS A 2 -9.044 -22.242 -2.530 1.00 0.00 S ATOM 0 H CYS A 2 -12.776 -21.009 -0.797 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.766 -22.864 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.752 -20.549 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.351 -21.239 -0.766 1.00 0.00 H new ATOM 35 N ASN A 3 -10.568 -23.637 -0.119 1.00 0.00 N ATOM 36 CA ASN A 3 -10.381 -24.783 0.820 1.00 0.00 C ATOM 37 C ASN A 3 -9.044 -24.641 1.546 1.00 0.00 C ATOM 38 O ASN A 3 -8.834 -25.210 2.599 1.00 0.00 O ATOM 39 CB ASN A 3 -10.370 -26.041 -0.055 1.00 0.00 C ATOM 40 CG ASN A 3 -9.839 -27.220 0.761 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.605 -28.013 1.271 1.00 0.00 O ATOM 42 ND2 ASN A 3 -8.551 -27.372 0.908 1.00 0.00 N ATOM 0 H ASN A 3 -9.894 -22.879 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.168 -24.824 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.376 -26.257 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.745 -25.881 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.189 -28.156 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.907 -26.707 0.480 1.00 0.00 H new ATOM 49 N THR A 4 -8.133 -23.888 0.989 1.00 0.00 N ATOM 50 CA THR A 4 -6.813 -23.713 1.642 1.00 0.00 C ATOM 51 C THR A 4 -6.652 -22.269 2.103 1.00 0.00 C ATOM 52 O THR A 4 -6.490 -21.373 1.304 1.00 0.00 O ATOM 53 CB THR A 4 -5.793 -24.050 0.553 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.388 -24.926 -0.394 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.572 -24.728 1.177 1.00 0.00 C ATOM 0 H THR A 4 -8.251 -23.388 0.108 1.00 0.00 H new ATOM 0 HA THR A 4 -6.691 -24.344 2.522 1.00 0.00 H new ATOM 0 HB THR A 4 -5.479 -23.132 0.057 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.737 -25.142 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.849 -24.966 0.396 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.114 -24.056 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.881 -25.646 1.677 1.00 0.00 H new ATOM 63 N ALA A 5 -6.699 -22.041 3.387 1.00 0.00 N ATOM 64 CA ALA A 5 -6.540 -20.652 3.912 1.00 0.00 C ATOM 65 C ALA A 5 -5.476 -19.911 3.097 1.00 0.00 C ATOM 66 O ALA A 5 -5.526 -18.709 2.932 1.00 0.00 O ATOM 67 CB ALA A 5 -6.089 -20.828 5.363 1.00 0.00 C ATOM 0 H ALA A 5 -6.841 -22.758 4.098 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.458 -20.068 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.949 -19.849 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.848 -21.383 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.148 -21.378 5.387 1.00 0.00 H new ATOM 73 N THR A 6 -4.528 -20.635 2.564 1.00 0.00 N ATOM 74 CA THR A 6 -3.474 -19.994 1.729 1.00 0.00 C ATOM 75 C THR A 6 -4.125 -19.464 0.454 1.00 0.00 C ATOM 76 O THR A 6 -3.898 -18.344 0.044 1.00 0.00 O ATOM 77 CB THR A 6 -2.481 -21.115 1.406 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.425 -20.593 0.611 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.199 -22.229 0.642 1.00 0.00 C ATOM 0 H THR A 6 -4.439 -21.645 2.672 1.00 0.00 H new ATOM 0 HA THR A 6 -2.977 -19.161 2.226 1.00 0.00 H new ATOM 0 HB THR A 6 -2.072 -21.520 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.787 -21.308 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.492 -23.026 0.412 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.009 -22.627 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.608 -21.829 -0.285 1.00 0.00 H new ATOM 87 N CYS A 7 -4.966 -20.257 -0.153 1.00 0.00 N ATOM 88 CA CYS A 7 -5.676 -19.807 -1.375 1.00 0.00 C ATOM 89 C CYS A 7 -6.722 -18.780 -0.953 1.00 0.00 C ATOM 90 O CYS A 7 -6.928 -17.775 -1.603 1.00 0.00 O ATOM 91 CB CYS A 7 -6.319 -21.083 -1.939 1.00 0.00 C ATOM 92 SG CYS A 7 -7.807 -20.686 -2.894 1.00 0.00 S ATOM 0 H CYS A 7 -5.190 -21.204 0.151 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.038 -19.337 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.603 -21.606 -2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.575 -21.758 -1.122 1.00 0.00 H new ATOM 97 N ALA A 8 -7.360 -19.019 0.162 1.00 0.00 N ATOM 98 CA ALA A 8 -8.368 -18.049 0.664 1.00 0.00 C ATOM 99 C ALA A 8 -7.656 -16.735 0.950 1.00 0.00 C ATOM 100 O ALA A 8 -8.023 -15.695 0.445 1.00 0.00 O ATOM 101 CB ALA A 8 -8.916 -18.660 1.955 1.00 0.00 C ATOM 0 H ALA A 8 -7.224 -19.845 0.745 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.173 -17.856 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.667 -17.996 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.369 -19.627 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.103 -18.793 2.668 1.00 0.00 H new ATOM 107 N THR A 9 -6.614 -16.783 1.734 1.00 0.00 N ATOM 108 CA THR A 9 -5.855 -15.540 2.023 1.00 0.00 C ATOM 109 C THR A 9 -5.383 -14.945 0.699 1.00 0.00 C ATOM 110 O THR A 9 -5.309 -13.746 0.534 1.00 0.00 O ATOM 111 CB THR A 9 -4.664 -15.983 2.874 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.123 -16.360 4.165 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.667 -14.831 3.003 1.00 0.00 C ATOM 0 H THR A 9 -6.259 -17.627 2.184 1.00 0.00 H new ATOM 0 HA THR A 9 -6.446 -14.785 2.541 1.00 0.00 H new ATOM 0 HB THR A 9 -4.173 -16.832 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.411 -17.296 4.149 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.819 -15.150 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.316 -14.541 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.154 -13.980 3.479 1.00 0.00 H new ATOM 121 N GLN A 10 -5.073 -15.786 -0.254 1.00 0.00 N ATOM 122 CA GLN A 10 -4.622 -15.276 -1.573 1.00 0.00 C ATOM 123 C GLN A 10 -5.790 -14.591 -2.292 1.00 0.00 C ATOM 124 O GLN A 10 -5.608 -13.666 -3.063 1.00 0.00 O ATOM 125 CB GLN A 10 -4.160 -16.511 -2.347 1.00 0.00 C ATOM 126 CG GLN A 10 -2.657 -16.413 -2.618 1.00 0.00 C ATOM 127 CD GLN A 10 -1.903 -17.339 -1.661 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.322 -18.321 -2.079 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.884 -17.063 -0.385 1.00 0.00 N ATOM 0 H GLN A 10 -5.114 -16.802 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.824 -14.539 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.379 -17.413 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.705 -16.588 -3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.444 -16.689 -3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.320 -15.385 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.372 -16.239 -0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.381 -17.672 0.261 1.00 0.00 H new ATOM 138 N ARG A 11 -6.997 -15.002 -2.006 1.00 0.00 N ATOM 139 CA ARG A 11 -8.169 -14.342 -2.639 1.00 0.00 C ATOM 140 C ARG A 11 -8.511 -13.180 -1.743 1.00 0.00 C ATOM 141 O ARG A 11 -8.657 -12.050 -2.163 1.00 0.00 O ATOM 142 CB ARG A 11 -9.282 -15.389 -2.642 1.00 0.00 C ATOM 143 CG ARG A 11 -10.397 -14.942 -3.588 1.00 0.00 C ATOM 144 CD ARG A 11 -10.711 -16.067 -4.575 1.00 0.00 C ATOM 145 NE ARG A 11 -9.535 -16.121 -5.486 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.617 -16.762 -6.618 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.616 -17.572 -6.838 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.701 -16.593 -7.532 1.00 0.00 N ATOM 0 H ARG A 11 -7.219 -15.763 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.002 -13.985 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.887 -16.355 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.676 -15.520 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.290 -14.684 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.093 -14.045 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.854 -17.016 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.629 -15.863 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.665 -15.657 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.333 -17.704 -6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.680 -18.074 -7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.920 -15.959 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.766 -17.095 -8.418 1.00 0.00 H new ATOM 162 N LEU A 12 -8.559 -13.467 -0.483 1.00 0.00 N ATOM 163 CA LEU A 12 -8.799 -12.415 0.514 1.00 0.00 C ATOM 164 C LEU A 12 -7.690 -11.371 0.381 1.00 0.00 C ATOM 165 O LEU A 12 -7.841 -10.226 0.757 1.00 0.00 O ATOM 166 CB LEU A 12 -8.696 -13.164 1.836 1.00 0.00 C ATOM 167 CG LEU A 12 -10.082 -13.633 2.279 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.943 -12.419 2.633 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.747 -14.411 1.141 1.00 0.00 C ATOM 0 H LEU A 12 -8.439 -14.404 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.750 -11.893 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.030 -14.020 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.261 -12.517 2.598 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.983 -14.278 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.931 -12.753 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.472 -11.863 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.040 -11.775 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.735 -14.745 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.844 -13.766 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.136 -15.277 0.886 1.00 0.00 H new ATOM 181 N ALA A 13 -6.576 -11.775 -0.175 1.00 0.00 N ATOM 182 CA ALA A 13 -5.438 -10.832 -0.368 1.00 0.00 C ATOM 183 C ALA A 13 -5.769 -9.867 -1.509 1.00 0.00 C ATOM 184 O ALA A 13 -5.461 -8.693 -1.466 1.00 0.00 O ATOM 185 CB ALA A 13 -4.245 -11.714 -0.743 1.00 0.00 C ATOM 0 H ALA A 13 -6.407 -12.725 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.231 -10.235 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.366 -11.089 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.047 -12.420 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.471 -12.262 -1.658 1.00 0.00 H new ATOM 191 N ASN A 14 -6.415 -10.364 -2.523 1.00 0.00 N ATOM 192 CA ASN A 14 -6.799 -9.494 -3.671 1.00 0.00 C ATOM 193 C ASN A 14 -7.660 -8.346 -3.154 1.00 0.00 C ATOM 194 O ASN A 14 -7.494 -7.203 -3.532 1.00 0.00 O ATOM 195 CB ASN A 14 -7.613 -10.397 -4.595 1.00 0.00 C ATOM 196 CG ASN A 14 -7.607 -9.824 -6.015 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.626 -9.386 -6.509 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.494 -9.811 -6.695 1.00 0.00 N ATOM 0 H ASN A 14 -6.696 -11.341 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.941 -9.062 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.194 -11.403 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.637 -10.479 -4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.479 -9.433 -7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.638 -10.179 -6.280 1.00 0.00 H new ATOM 205 N PHE A 15 -8.570 -8.648 -2.269 1.00 0.00 N ATOM 206 CA PHE A 15 -9.434 -7.589 -1.693 1.00 0.00 C ATOM 207 C PHE A 15 -8.660 -6.904 -0.581 1.00 0.00 C ATOM 208 O PHE A 15 -8.983 -5.821 -0.164 1.00 0.00 O ATOM 209 CB PHE A 15 -10.672 -8.296 -1.121 1.00 0.00 C ATOM 210 CG PHE A 15 -10.991 -9.532 -1.926 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.922 -9.496 -3.324 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.348 -10.715 -1.272 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.210 -10.645 -4.066 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.638 -11.864 -2.013 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.569 -11.830 -3.411 1.00 0.00 C ATOM 0 H PHE A 15 -8.750 -9.590 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.729 -6.844 -2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.495 -8.568 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.524 -7.617 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.647 -8.582 -3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.400 -10.741 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.156 -10.619 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.915 -12.777 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.793 -12.717 -3.984 1.00 0.00 H new ATOM 225 N LEU A 16 -7.620 -7.522 -0.102 1.00 0.00 N ATOM 226 CA LEU A 16 -6.828 -6.867 0.970 1.00 0.00 C ATOM 227 C LEU A 16 -6.172 -5.620 0.393 1.00 0.00 C ATOM 228 O LEU A 16 -6.436 -4.519 0.819 1.00 0.00 O ATOM 229 CB LEU A 16 -5.776 -7.890 1.385 1.00 0.00 C ATOM 230 CG LEU A 16 -6.250 -8.631 2.636 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.382 -9.871 2.855 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.132 -7.708 3.849 1.00 0.00 C ATOM 0 H LEU A 16 -7.288 -8.439 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.434 -6.565 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.602 -8.598 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.827 -7.392 1.582 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.289 -8.933 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.720 -10.399 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.464 -10.530 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.343 -9.569 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.470 -8.235 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.092 -7.407 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.750 -6.823 3.695 1.00 0.00 H new ATOM 244 N VAL A 17 -5.339 -5.780 -0.594 1.00 0.00 N ATOM 245 CA VAL A 17 -4.689 -4.586 -1.202 1.00 0.00 C ATOM 246 C VAL A 17 -5.759 -3.602 -1.682 1.00 0.00 C ATOM 247 O VAL A 17 -5.646 -2.404 -1.505 1.00 0.00 O ATOM 248 CB VAL A 17 -3.888 -5.126 -2.386 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.268 -3.961 -3.160 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.777 -6.046 -1.875 1.00 0.00 C ATOM 0 H VAL A 17 -5.081 -6.677 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.053 -4.053 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.551 -5.687 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.697 -4.348 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.058 -3.306 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.606 -3.398 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.206 -6.431 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.115 -5.485 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.217 -6.878 -1.326 1.00 0.00 H new ATOM 260 N HIS A 18 -6.802 -4.105 -2.286 1.00 0.00 N ATOM 261 CA HIS A 18 -7.887 -3.212 -2.784 1.00 0.00 C ATOM 262 C HIS A 18 -8.709 -2.665 -1.617 1.00 0.00 C ATOM 263 O HIS A 18 -8.849 -1.470 -1.448 1.00 0.00 O ATOM 264 CB HIS A 18 -8.754 -4.110 -3.664 1.00 0.00 C ATOM 265 CG HIS A 18 -8.056 -4.347 -4.975 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.709 -4.913 -6.078 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.765 -4.104 -5.383 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.813 -4.988 -7.085 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.640 -4.511 -6.695 1.00 0.00 N ATOM 0 H HIS A 18 -6.949 -5.100 -2.456 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.495 -2.351 -3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.941 -5.059 -3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.724 -3.643 -3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.983 -3.669 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.023 -5.381 -8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.795 -4.455 -7.264 1.00 0.00 H new ATOM 277 N SER A 19 -9.261 -3.532 -0.814 1.00 0.00 N ATOM 278 CA SER A 19 -10.084 -3.059 0.339 1.00 0.00 C ATOM 279 C SER A 19 -9.215 -2.309 1.349 1.00 0.00 C ATOM 280 O SER A 19 -9.538 -1.212 1.760 1.00 0.00 O ATOM 281 CB SER A 19 -10.673 -4.322 0.967 1.00 0.00 C ATOM 282 OG SER A 19 -11.698 -3.957 1.881 1.00 0.00 O ATOM 0 H SER A 19 -9.179 -4.545 -0.904 1.00 0.00 H new ATOM 0 HA SER A 19 -10.863 -2.366 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.076 -4.974 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.894 -4.884 1.482 1.00 0.00 H new ATOM 0 HG SER A 19 -12.079 -4.765 2.284 1.00 0.00 H new ATOM 288 N SER A 20 -8.118 -2.886 1.758 1.00 0.00 N ATOM 289 CA SER A 20 -7.242 -2.186 2.744 1.00 0.00 C ATOM 290 C SER A 20 -7.090 -0.724 2.339 1.00 0.00 C ATOM 291 O SER A 20 -7.193 0.172 3.155 1.00 0.00 O ATOM 292 CB SER A 20 -5.893 -2.903 2.692 1.00 0.00 C ATOM 293 OG SER A 20 -6.062 -4.254 3.099 1.00 0.00 O ATOM 0 H SER A 20 -7.791 -3.804 1.456 1.00 0.00 H new ATOM 0 HA SER A 20 -7.657 -2.208 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.486 -2.864 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.177 -2.402 3.343 1.00 0.00 H new ATOM 0 HG SER A 20 -6.609 -4.729 2.439 1.00 0.00 H new ATOM 299 N ASN A 21 -6.861 -0.471 1.082 1.00 0.00 N ATOM 300 CA ASN A 21 -6.724 0.941 0.633 1.00 0.00 C ATOM 301 C ASN A 21 -7.919 1.743 1.143 1.00 0.00 C ATOM 302 O ASN A 21 -7.784 2.855 1.614 1.00 0.00 O ATOM 303 CB ASN A 21 -6.716 0.884 -0.894 1.00 0.00 C ATOM 304 CG ASN A 21 -5.706 1.898 -1.432 1.00 0.00 C ATOM 305 OD1 ASN A 21 -4.520 1.636 -1.457 1.00 0.00 O ATOM 306 ND2 ASN A 21 -6.127 3.055 -1.864 1.00 0.00 N ATOM 0 H ASN A 21 -6.763 -1.175 0.351 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.821 1.420 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.456 -0.120 -1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.711 1.103 -1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.460 3.739 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.123 3.276 -1.843 1.00 0.00 H new ATOM 313 N ASN A 22 -9.089 1.173 1.070 1.00 0.00 N ATOM 314 CA ASN A 22 -10.299 1.885 1.571 1.00 0.00 C ATOM 315 C ASN A 22 -10.277 1.894 3.098 1.00 0.00 C ATOM 316 O ASN A 22 -10.340 2.932 3.732 1.00 0.00 O ATOM 317 CB ASN A 22 -11.485 1.074 1.050 1.00 0.00 C ATOM 318 CG ASN A 22 -12.552 2.022 0.502 1.00 0.00 C ATOM 319 OD1 ASN A 22 -12.487 2.434 -0.640 1.00 0.00 O ATOM 320 ND2 ASN A 22 -13.538 2.392 1.273 1.00 0.00 N ATOM 0 H ASN A 22 -9.261 0.244 0.685 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.351 2.921 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.155 0.390 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.902 0.465 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.253 3.026 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.593 2.047 2.231 1.00 0.00 H new ATOM 327 N PHE A 23 -10.165 0.741 3.693 1.00 0.00 N ATOM 328 CA PHE A 23 -10.113 0.670 5.177 1.00 0.00 C ATOM 329 C PHE A 23 -9.030 1.634 5.670 1.00 0.00 C ATOM 330 O PHE A 23 -9.122 2.201 6.739 1.00 0.00 O ATOM 331 CB PHE A 23 -9.775 -0.801 5.483 1.00 0.00 C ATOM 332 CG PHE A 23 -8.732 -0.905 6.576 1.00 0.00 C ATOM 333 CD1 PHE A 23 -7.373 -0.916 6.243 1.00 0.00 C ATOM 334 CD2 PHE A 23 -9.125 -0.994 7.917 1.00 0.00 C ATOM 335 CE1 PHE A 23 -6.405 -1.016 7.250 1.00 0.00 C ATOM 336 CE2 PHE A 23 -8.157 -1.095 8.925 1.00 0.00 C ATOM 337 CZ PHE A 23 -6.797 -1.105 8.591 1.00 0.00 C ATOM 0 H PHE A 23 -10.107 -0.157 3.214 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.040 0.959 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.679 -1.329 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.409 -1.289 4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.070 -0.847 5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.174 -0.985 8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.356 -1.024 6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.460 -1.165 9.959 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.051 -1.181 9.368 1.00 0.00 H new ATOM 347 N GLY A 24 -8.014 1.836 4.876 1.00 0.00 N ATOM 348 CA GLY A 24 -6.934 2.777 5.273 1.00 0.00 C ATOM 349 C GLY A 24 -7.437 4.201 5.060 1.00 0.00 C ATOM 350 O GLY A 24 -7.032 5.126 5.736 1.00 0.00 O ATOM 0 H GLY A 24 -7.887 1.388 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.661 2.623 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.037 2.598 4.679 1.00 0.00 H new ATOM 354 N ALA A 25 -8.334 4.380 4.128 1.00 0.00 N ATOM 355 CA ALA A 25 -8.884 5.737 3.878 1.00 0.00 C ATOM 356 C ALA A 25 -9.667 6.193 5.113 1.00 0.00 C ATOM 357 O ALA A 25 -9.908 7.368 5.312 1.00 0.00 O ATOM 358 CB ALA A 25 -9.804 5.576 2.666 1.00 0.00 C ATOM 0 H ALA A 25 -8.708 3.643 3.530 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.114 6.485 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.251 6.539 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.226 5.214 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.592 4.860 2.900 1.00 0.00 H new ATOM 364 N ILE A 26 -10.040 5.268 5.959 1.00 0.00 N ATOM 365 CA ILE A 26 -10.781 5.637 7.204 1.00 0.00 C ATOM 366 C ILE A 26 -9.752 5.849 8.294 1.00 0.00 C ATOM 367 O ILE A 26 -9.813 6.780 9.071 1.00 0.00 O ATOM 368 CB ILE A 26 -11.688 4.442 7.501 1.00 0.00 C ATOM 369 CG1 ILE A 26 -12.288 3.918 6.187 1.00 0.00 C ATOM 370 CG2 ILE A 26 -12.815 4.871 8.442 1.00 0.00 C ATOM 371 CD1 ILE A 26 -12.564 5.088 5.232 1.00 0.00 C ATOM 0 H ILE A 26 -9.863 4.270 5.842 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.377 6.546 7.121 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.104 3.654 7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.602 3.211 5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -13.213 3.378 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.459 4.017 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.389 5.242 9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.401 5.661 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.989 4.707 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.268 5.779 5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.632 5.610 5.017 1.00 0.00 H new ATOM 383 N LEU A 27 -8.761 5.012 8.296 1.00 0.00 N ATOM 384 CA LEU A 27 -7.656 5.170 9.261 1.00 0.00 C ATOM 385 C LEU A 27 -6.965 6.502 8.958 1.00 0.00 C ATOM 386 O LEU A 27 -6.187 7.016 9.737 1.00 0.00 O ATOM 387 CB LEU A 27 -6.748 3.985 8.957 1.00 0.00 C ATOM 388 CG LEU A 27 -7.140 2.804 9.845 1.00 0.00 C ATOM 389 CD1 LEU A 27 -8.286 2.027 9.194 1.00 0.00 C ATOM 390 CD2 LEU A 27 -5.932 1.881 10.024 1.00 0.00 C ATOM 0 H LEU A 27 -8.671 4.218 7.662 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.954 5.185 10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.833 3.708 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.707 4.256 9.132 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.464 3.174 10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.563 1.186 9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.146 2.685 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.967 1.656 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.209 1.038 10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.608 1.513 9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.118 2.434 10.492 1.00 0.00 H new ATOM 402 N SER A 28 -7.269 7.064 7.814 1.00 0.00 N ATOM 403 CA SER A 28 -6.678 8.363 7.413 1.00 0.00 C ATOM 404 C SER A 28 -7.343 9.502 8.193 1.00 0.00 C ATOM 405 O SER A 28 -6.994 10.656 8.042 1.00 0.00 O ATOM 406 CB SER A 28 -7.008 8.474 5.923 1.00 0.00 C ATOM 407 OG SER A 28 -5.955 7.888 5.168 1.00 0.00 O ATOM 0 H SER A 28 -7.915 6.664 7.134 1.00 0.00 H new ATOM 0 HA SER A 28 -5.608 8.425 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.950 7.970 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.135 9.520 5.643 1.00 0.00 H new ATOM 0 HG SER A 28 -6.050 6.913 5.176 1.00 0.00 H new ATOM 413 N SER A 29 -8.306 9.188 9.020 1.00 0.00 N ATOM 414 CA SER A 29 -8.995 10.259 9.796 1.00 0.00 C ATOM 415 C SER A 29 -9.353 9.770 11.201 1.00 0.00 C ATOM 416 O SER A 29 -10.048 10.436 11.942 1.00 0.00 O ATOM 417 CB SER A 29 -10.261 10.569 8.999 1.00 0.00 C ATOM 418 OG SER A 29 -9.976 11.572 8.032 1.00 0.00 O ATOM 0 H SER A 29 -8.643 8.241 9.191 1.00 0.00 H new ATOM 0 HA SER A 29 -8.363 11.137 9.926 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.624 9.667 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.052 10.908 9.668 1.00 0.00 H new ATOM 0 HG SER A 29 -9.024 11.544 7.803 1.00 0.00 H new ATOM 424 N THR A 30 -8.881 8.617 11.575 1.00 0.00 N ATOM 425 CA THR A 30 -9.193 8.094 12.941 1.00 0.00 C ATOM 426 C THR A 30 -8.764 9.116 13.993 1.00 0.00 C ATOM 427 O THR A 30 -9.567 9.854 14.528 1.00 0.00 O ATOM 428 CB THR A 30 -8.393 6.788 13.097 1.00 0.00 C ATOM 429 OG1 THR A 30 -8.131 6.561 14.476 1.00 0.00 O ATOM 430 CG2 THR A 30 -7.062 6.869 12.339 1.00 0.00 C ATOM 0 H THR A 30 -8.294 8.012 11.000 1.00 0.00 H new ATOM 0 HA THR A 30 -10.260 7.914 13.072 1.00 0.00 H new ATOM 0 HB THR A 30 -8.981 5.969 12.683 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.623 5.729 14.580 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.515 5.935 12.464 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.256 7.037 11.280 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.468 7.693 12.734 1.00 0.00 H new ATOM 438 N ASN A 31 -7.497 9.170 14.280 1.00 0.00 N ATOM 439 CA ASN A 31 -6.989 10.144 15.283 1.00 0.00 C ATOM 440 C ASN A 31 -5.704 10.786 14.752 1.00 0.00 C ATOM 441 O ASN A 31 -5.016 11.493 15.461 1.00 0.00 O ATOM 442 CB ASN A 31 -6.705 9.311 16.534 1.00 0.00 C ATOM 443 CG ASN A 31 -6.650 10.220 17.764 1.00 0.00 C ATOM 444 OD1 ASN A 31 -7.254 9.925 18.776 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.945 11.317 17.723 1.00 0.00 N ATOM 0 H ASN A 31 -6.783 8.575 13.859 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.694 10.949 15.493 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.481 8.557 16.663 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.760 8.780 16.421 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.901 11.926 18.540 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.437 11.566 16.874 1.00 0.00 H new ATOM 452 N VAL A 32 -5.378 10.540 13.508 1.00 0.00 N ATOM 453 CA VAL A 32 -4.138 11.130 12.917 1.00 0.00 C ATOM 454 C VAL A 32 -2.888 10.562 13.599 1.00 0.00 C ATOM 455 O VAL A 32 -1.782 10.992 13.341 1.00 0.00 O ATOM 456 CB VAL A 32 -4.236 12.637 13.165 1.00 0.00 C ATOM 457 CG1 VAL A 32 -3.172 13.356 12.334 1.00 0.00 C ATOM 458 CG2 VAL A 32 -5.623 13.146 12.758 1.00 0.00 C ATOM 0 H VAL A 32 -5.920 9.953 12.874 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.055 10.897 11.855 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.077 12.836 14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.239 14.430 12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.183 13.002 12.625 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.335 13.149 11.276 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.684 14.219 12.938 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.788 12.946 11.699 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.385 12.636 13.347 1.00 0.00 H new ATOM 468 N GLY A 33 -3.053 9.603 14.468 1.00 0.00 N ATOM 469 CA GLY A 33 -1.868 9.018 15.158 1.00 0.00 C ATOM 470 C GLY A 33 -2.330 8.191 16.358 1.00 0.00 C ATOM 471 O GLY A 33 -2.634 7.021 16.239 1.00 0.00 O ATOM 0 H GLY A 33 -3.953 9.200 14.730 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.305 8.391 14.467 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.197 9.812 15.487 1.00 0.00 H new ATOM 475 N SER A 34 -2.383 8.791 17.514 1.00 0.00 N ATOM 476 CA SER A 34 -2.824 8.040 18.725 1.00 0.00 C ATOM 477 C SER A 34 -3.019 9.003 19.899 1.00 0.00 C ATOM 478 O SER A 34 -2.669 8.705 21.023 1.00 0.00 O ATOM 479 CB SER A 34 -1.688 7.059 19.017 1.00 0.00 C ATOM 480 OG SER A 34 -2.238 5.783 19.319 1.00 0.00 O ATOM 0 H SER A 34 -2.140 9.769 17.674 1.00 0.00 H new ATOM 0 HA SER A 34 -3.774 7.528 18.573 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.023 6.987 18.156 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.088 7.417 19.854 1.00 0.00 H new ATOM 0 HG SER A 34 -1.513 5.150 19.505 1.00 0.00 H new ATOM 486 N ASN A 35 -3.575 10.156 19.644 1.00 0.00 N ATOM 487 CA ASN A 35 -3.792 11.137 20.746 1.00 0.00 C ATOM 488 C ASN A 35 -2.463 11.467 21.431 1.00 0.00 C ATOM 489 O ASN A 35 -1.878 10.640 22.102 1.00 0.00 O ATOM 490 CB ASN A 35 -4.738 10.430 21.718 1.00 0.00 C ATOM 491 CG ASN A 35 -5.289 11.439 22.728 1.00 0.00 C ATOM 492 OD1 ASN A 35 -5.233 12.632 22.506 1.00 0.00 O ATOM 493 ND2 ASN A 35 -5.821 11.004 23.837 1.00 0.00 N ATOM 0 H ASN A 35 -3.888 10.461 18.722 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.204 12.080 20.387 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.557 9.965 21.170 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.210 9.631 22.239 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.191 11.666 24.519 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.867 10.002 24.022 1.00 0.00 H new ATOM 500 N THR A 36 -1.981 12.668 21.267 1.00 0.00 N ATOM 501 CA THR A 36 -0.689 13.048 21.910 1.00 0.00 C ATOM 502 C THR A 36 -0.815 12.973 23.434 1.00 0.00 C ATOM 503 O THR A 36 -1.229 13.915 24.079 1.00 0.00 O ATOM 504 CB THR A 36 -0.431 14.489 21.463 1.00 0.00 C ATOM 505 OG1 THR A 36 -0.490 14.562 20.046 1.00 0.00 O ATOM 506 CG2 THR A 36 0.952 14.936 21.941 1.00 0.00 C ATOM 0 H THR A 36 -2.425 13.403 20.716 1.00 0.00 H new ATOM 0 HA THR A 36 0.125 12.382 21.625 1.00 0.00 H new ATOM 0 HB THR A 36 -1.190 15.143 21.893 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.327 15.485 19.759 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.133 15.962 21.621 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.996 14.881 23.029 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.713 14.283 21.514 1.00 0.00 H new ATOM 514 N TYR A 37 -0.463 11.857 24.015 1.00 0.00 N ATOM 515 CA TYR A 37 -0.568 11.726 25.496 1.00 0.00 C ATOM 516 C TYR A 37 0.242 12.833 26.183 1.00 0.00 C ATOM 517 O TYR A 37 0.222 12.887 27.401 1.00 0.00 O ATOM 518 CB TYR A 37 -0.003 10.330 25.814 1.00 0.00 C ATOM 519 CG TYR A 37 1.492 10.397 26.043 1.00 0.00 C ATOM 520 CD1 TYR A 37 2.374 10.267 24.964 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.993 10.589 27.338 1.00 0.00 C ATOM 522 CE1 TYR A 37 3.756 10.329 25.179 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.375 10.651 27.552 1.00 0.00 C ATOM 524 CZ TYR A 37 4.257 10.521 26.473 1.00 0.00 C ATOM 525 OH TYR A 37 5.619 10.583 26.686 1.00 0.00 O ATOM 526 OXT TYR A 37 0.866 13.607 25.475 1.00 0.00 O ATOM 0 H TYR A 37 -0.108 11.033 23.529 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.592 11.829 25.856 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.494 9.927 26.700 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.220 9.649 24.991 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.989 10.119 23.966 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.313 10.689 28.171 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.437 10.229 24.346 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.761 10.799 28.550 1.00 0.00 H new ATOM 0 HH TYR A 37 5.795 10.721 27.640 1.00 0.00 H new TER 536 TYR A 37