USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 hydrogens (2 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 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.42) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 19 SER OG : rot -4:sc= -2.81! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.2) USER MOD Single : A 22 ASN : amide:sc= -0.0699 X(o=-0.07,f=0.072) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.22) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.549 -22.124 -0.281 1.00 0.00 N ATOM 2 CA LYS A 1 -7.066 -22.064 -0.424 1.00 0.00 C ATOM 3 C LYS A 1 -6.627 -22.811 -1.686 1.00 0.00 C ATOM 4 O LYS A 1 -5.938 -23.810 -1.621 1.00 0.00 O ATOM 5 CB LYS A 1 -6.516 -22.749 0.828 1.00 0.00 C ATOM 6 CG LYS A 1 -5.725 -21.733 1.653 1.00 0.00 C ATOM 7 CD LYS A 1 -5.157 -22.414 2.899 1.00 0.00 C ATOM 8 CE LYS A 1 -4.290 -21.420 3.672 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.521 -21.742 5.108 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.836 -21.614 0.579 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.996 -21.683 -1.110 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.851 -23.117 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.701 -21.041 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.333 -23.159 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.875 -23.585 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.916 -21.314 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.370 -20.903 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.968 -22.774 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.565 -23.284 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.238 -21.526 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.573 -20.392 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.958 -21.100 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.530 -21.626 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.236 -22.725 5.294 1.00 0.00 H new ATOM 25 N CYS A 2 -7.026 -22.334 -2.834 1.00 0.00 N ATOM 26 CA CYS A 2 -6.640 -23.012 -4.109 1.00 0.00 C ATOM 27 C CYS A 2 -5.186 -23.496 -4.050 1.00 0.00 C ATOM 28 O CYS A 2 -4.905 -24.658 -4.271 1.00 0.00 O ATOM 29 CB CYS A 2 -6.817 -21.960 -5.218 1.00 0.00 C ATOM 30 SG CYS A 2 -6.316 -20.319 -4.628 1.00 0.00 S ATOM 0 H CYS A 2 -7.605 -21.501 -2.946 1.00 0.00 H new ATOM 0 HA CYS A 2 -7.256 -23.892 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.221 -22.237 -6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -7.858 -21.934 -5.540 1.00 0.00 H new ATOM 35 N ASN A 3 -4.258 -22.624 -3.759 1.00 0.00 N ATOM 36 CA ASN A 3 -2.830 -23.060 -3.696 1.00 0.00 C ATOM 37 C ASN A 3 -2.103 -22.374 -2.535 1.00 0.00 C ATOM 38 O ASN A 3 -1.843 -22.975 -1.512 1.00 0.00 O ATOM 39 CB ASN A 3 -2.227 -22.626 -5.031 1.00 0.00 C ATOM 40 CG ASN A 3 -2.880 -23.411 -6.170 1.00 0.00 C ATOM 41 OD1 ASN A 3 -3.533 -22.839 -7.020 1.00 0.00 O ATOM 42 ND2 ASN A 3 -2.732 -24.706 -6.224 1.00 0.00 N ATOM 0 H ASN A 3 -4.423 -21.637 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.739 -24.133 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.379 -21.557 -5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.151 -22.798 -5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.164 -25.238 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.184 -25.187 -5.511 1.00 0.00 H new ATOM 49 N THR A 4 -1.769 -21.121 -2.686 1.00 0.00 N ATOM 50 CA THR A 4 -1.055 -20.399 -1.591 1.00 0.00 C ATOM 51 C THR A 4 -1.879 -19.193 -1.133 1.00 0.00 C ATOM 52 O THR A 4 -3.082 -19.158 -1.301 1.00 0.00 O ATOM 53 CB THR A 4 0.267 -19.946 -2.211 1.00 0.00 C ATOM 54 OG1 THR A 4 0.011 -18.959 -3.200 1.00 0.00 O ATOM 55 CG2 THR A 4 0.967 -21.145 -2.853 1.00 0.00 C ATOM 0 H THR A 4 -1.959 -20.565 -3.520 1.00 0.00 H new ATOM 0 HA THR A 4 -0.897 -21.026 -0.714 1.00 0.00 H new ATOM 0 HB THR A 4 0.908 -19.526 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.858 -18.666 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.910 -20.822 -3.295 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.163 -21.902 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.328 -21.567 -3.629 1.00 0.00 H new ATOM 63 N ALA A 5 -1.251 -18.201 -0.556 1.00 0.00 N ATOM 64 CA ALA A 5 -2.029 -17.012 -0.101 1.00 0.00 C ATOM 65 C ALA A 5 -2.392 -16.131 -1.284 1.00 0.00 C ATOM 66 O ALA A 5 -3.536 -15.827 -1.497 1.00 0.00 O ATOM 67 CB ALA A 5 -1.110 -16.235 0.835 1.00 0.00 C ATOM 0 H ALA A 5 -0.247 -18.163 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.953 -17.318 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.629 -15.349 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.831 -16.867 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.212 -15.933 0.295 1.00 0.00 H new ATOM 73 N THR A 6 -1.427 -15.713 -2.052 1.00 0.00 N ATOM 74 CA THR A 6 -1.737 -14.827 -3.210 1.00 0.00 C ATOM 75 C THR A 6 -2.858 -15.435 -4.046 1.00 0.00 C ATOM 76 O THR A 6 -3.791 -14.755 -4.419 1.00 0.00 O ATOM 77 CB THR A 6 -0.435 -14.753 -4.002 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.135 -16.037 -4.529 1.00 0.00 O ATOM 79 CG2 THR A 6 0.693 -14.305 -3.072 1.00 0.00 C ATOM 0 H THR A 6 -0.441 -15.944 -1.930 1.00 0.00 H new ATOM 0 HA THR A 6 -2.079 -13.838 -2.906 1.00 0.00 H new ATOM 0 HB THR A 6 -0.538 -14.040 -4.820 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.700 -15.994 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.626 -14.250 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.458 -13.323 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.800 -15.022 -2.258 1.00 0.00 H new ATOM 87 N CYS A 7 -2.809 -16.708 -4.315 1.00 0.00 N ATOM 88 CA CYS A 7 -3.920 -17.319 -5.090 1.00 0.00 C ATOM 89 C CYS A 7 -5.232 -16.884 -4.438 1.00 0.00 C ATOM 90 O CYS A 7 -6.138 -16.396 -5.082 1.00 0.00 O ATOM 91 CB CYS A 7 -3.714 -18.828 -4.952 1.00 0.00 C ATOM 92 SG CYS A 7 -4.930 -19.706 -5.963 1.00 0.00 S ATOM 0 H CYS A 7 -2.061 -17.343 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.944 -17.025 -6.139 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.705 -19.097 -5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.814 -19.124 -3.908 1.00 0.00 H new ATOM 97 N ALA A 8 -5.312 -17.035 -3.145 1.00 0.00 N ATOM 98 CA ALA A 8 -6.527 -16.613 -2.393 1.00 0.00 C ATOM 99 C ALA A 8 -6.536 -15.098 -2.233 1.00 0.00 C ATOM 100 O ALA A 8 -7.473 -14.408 -2.568 1.00 0.00 O ATOM 101 CB ALA A 8 -6.319 -17.226 -1.020 1.00 0.00 C ATOM 0 H ALA A 8 -4.574 -17.440 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.452 -16.913 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.164 -16.976 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.243 -18.309 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.401 -16.834 -0.582 1.00 0.00 H new ATOM 107 N THR A 9 -5.461 -14.612 -1.702 1.00 0.00 N ATOM 108 CA THR A 9 -5.269 -13.168 -1.449 1.00 0.00 C ATOM 109 C THR A 9 -5.447 -12.368 -2.742 1.00 0.00 C ATOM 110 O THR A 9 -5.631 -11.169 -2.737 1.00 0.00 O ATOM 111 CB THR A 9 -3.838 -13.107 -0.929 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.825 -13.496 0.439 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.258 -11.697 -1.061 1.00 0.00 C ATOM 0 H THR A 9 -4.668 -15.188 -1.419 1.00 0.00 H new ATOM 0 HA THR A 9 -5.987 -12.739 -0.750 1.00 0.00 H new ATOM 0 HB THR A 9 -3.225 -13.784 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.907 -13.461 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.236 -11.687 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.258 -11.400 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.866 -10.998 -0.486 1.00 0.00 H new ATOM 121 N GLN A 10 -5.382 -13.015 -3.858 1.00 0.00 N ATOM 122 CA GLN A 10 -5.539 -12.268 -5.125 1.00 0.00 C ATOM 123 C GLN A 10 -6.797 -11.408 -5.033 1.00 0.00 C ATOM 124 O GLN A 10 -6.866 -10.326 -5.582 1.00 0.00 O ATOM 125 CB GLN A 10 -5.683 -13.331 -6.212 1.00 0.00 C ATOM 126 CG GLN A 10 -5.050 -12.819 -7.505 1.00 0.00 C ATOM 127 CD GLN A 10 -3.624 -13.361 -7.621 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.414 -14.446 -8.124 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.631 -12.646 -7.170 1.00 0.00 N ATOM 0 H GLN A 10 -5.229 -14.019 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.698 -11.608 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.200 -14.256 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.736 -13.561 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.642 -13.136 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.038 -11.729 -7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.809 -11.735 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.676 -12.998 -7.240 1.00 0.00 H new ATOM 138 N ARG A 11 -7.792 -11.874 -4.326 1.00 0.00 N ATOM 139 CA ARG A 11 -9.037 -11.070 -4.187 1.00 0.00 C ATOM 140 C ARG A 11 -8.880 -10.028 -3.071 1.00 0.00 C ATOM 141 O ARG A 11 -9.222 -8.878 -3.245 1.00 0.00 O ATOM 142 CB ARG A 11 -10.155 -12.068 -3.853 1.00 0.00 C ATOM 143 CG ARG A 11 -9.832 -12.843 -2.575 1.00 0.00 C ATOM 144 CD ARG A 11 -10.549 -12.194 -1.386 1.00 0.00 C ATOM 145 NE ARG A 11 -11.986 -12.554 -1.563 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.798 -12.557 -0.539 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.359 -12.247 0.652 1.00 0.00 N ATOM 148 NH2 ARG A 11 -14.054 -12.871 -0.706 1.00 0.00 N ATOM 0 H ARG A 11 -7.795 -12.772 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.263 -10.521 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.098 -11.536 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.286 -12.764 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.145 -13.882 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.756 -12.850 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.162 -12.568 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.410 -11.113 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.337 -12.799 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.378 -12.001 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.997 -12.251 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.400 -13.113 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.689 -12.874 0.092 1.00 0.00 H new ATOM 162 N LEU A 12 -8.371 -10.410 -1.927 1.00 0.00 N ATOM 163 CA LEU A 12 -8.206 -9.420 -0.823 1.00 0.00 C ATOM 164 C LEU A 12 -7.042 -8.517 -1.089 1.00 0.00 C ATOM 165 O LEU A 12 -6.987 -7.416 -0.587 1.00 0.00 O ATOM 166 CB LEU A 12 -8.079 -10.241 0.475 1.00 0.00 C ATOM 167 CG LEU A 12 -6.640 -10.304 1.024 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.694 -10.765 -0.053 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.170 -8.955 1.509 1.00 0.00 C ATOM 0 H LEU A 12 -8.065 -11.359 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.058 -8.746 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.731 -9.809 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.434 -11.255 0.290 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.647 -11.004 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.680 -10.806 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.989 -11.757 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.727 -10.067 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.152 -9.039 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.192 -8.244 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.827 -8.606 2.306 1.00 0.00 H new ATOM 181 N ALA A 13 -6.127 -8.929 -1.894 1.00 0.00 N ATOM 182 CA ALA A 13 -5.001 -8.028 -2.194 1.00 0.00 C ATOM 183 C ALA A 13 -5.567 -6.658 -2.412 1.00 0.00 C ATOM 184 O ALA A 13 -5.014 -5.663 -2.015 1.00 0.00 O ATOM 185 CB ALA A 13 -4.440 -8.563 -3.488 1.00 0.00 C ATOM 0 H ALA A 13 -6.106 -9.839 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.246 -7.977 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.591 -7.953 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.114 -9.593 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.209 -8.529 -4.260 1.00 0.00 H new ATOM 191 N ASN A 14 -6.712 -6.658 -3.001 1.00 0.00 N ATOM 192 CA ASN A 14 -7.452 -5.421 -3.271 1.00 0.00 C ATOM 193 C ASN A 14 -7.883 -4.767 -1.957 1.00 0.00 C ATOM 194 O ASN A 14 -7.741 -3.583 -1.748 1.00 0.00 O ATOM 195 CB ASN A 14 -8.673 -5.949 -4.006 1.00 0.00 C ATOM 196 CG ASN A 14 -8.305 -6.301 -5.444 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.225 -5.440 -6.299 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.073 -7.551 -5.745 1.00 0.00 N ATOM 0 H ASN A 14 -7.184 -7.504 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.882 -4.672 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.062 -6.830 -3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.465 -5.200 -3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.824 -7.808 -6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.141 -8.270 -5.025 1.00 0.00 H new ATOM 205 N PHE A 15 -8.412 -5.566 -1.080 1.00 0.00 N ATOM 206 CA PHE A 15 -8.888 -5.085 0.247 1.00 0.00 C ATOM 207 C PHE A 15 -7.773 -4.328 0.958 1.00 0.00 C ATOM 208 O PHE A 15 -7.996 -3.375 1.676 1.00 0.00 O ATOM 209 CB PHE A 15 -9.244 -6.418 0.949 1.00 0.00 C ATOM 210 CG PHE A 15 -8.761 -6.517 2.378 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.790 -5.428 3.243 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.316 -7.753 2.837 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.364 -5.584 4.565 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.886 -7.918 4.145 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.910 -6.828 5.020 1.00 0.00 C ATOM 0 H PHE A 15 -8.539 -6.567 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.724 -4.386 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.326 -6.545 0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.818 -7.242 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.140 -4.467 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.305 -8.597 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.385 -4.741 5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.535 -8.881 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.580 -6.945 6.042 1.00 0.00 H new ATOM 225 N LEU A 16 -6.582 -4.769 0.777 1.00 0.00 N ATOM 226 CA LEU A 16 -5.425 -4.139 1.453 1.00 0.00 C ATOM 227 C LEU A 16 -4.824 -3.002 0.637 1.00 0.00 C ATOM 228 O LEU A 16 -4.704 -1.888 1.102 1.00 0.00 O ATOM 229 CB LEU A 16 -4.479 -5.313 1.535 1.00 0.00 C ATOM 230 CG LEU A 16 -5.068 -6.331 2.493 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.070 -7.463 2.729 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.417 -5.656 3.821 1.00 0.00 C ATOM 0 H LEU A 16 -6.347 -5.559 0.176 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.669 -3.674 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.337 -5.756 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.498 -4.987 1.882 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.977 -6.746 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.500 -8.190 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.843 -7.951 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.153 -7.057 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.839 -6.393 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.515 -5.229 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.145 -4.864 3.646 1.00 0.00 H new ATOM 244 N VAL A 17 -4.453 -3.266 -0.570 1.00 0.00 N ATOM 245 CA VAL A 17 -3.869 -2.191 -1.404 1.00 0.00 C ATOM 246 C VAL A 17 -4.875 -1.050 -1.475 1.00 0.00 C ATOM 247 O VAL A 17 -4.525 0.113 -1.495 1.00 0.00 O ATOM 248 CB VAL A 17 -3.622 -2.848 -2.755 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.513 -3.888 -2.585 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.896 -3.552 -3.230 1.00 0.00 C ATOM 0 H VAL A 17 -4.527 -4.179 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.942 -1.767 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.335 -2.094 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.319 -4.372 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.605 -3.397 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.825 -4.636 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.714 -4.020 -4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.182 -4.315 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.700 -2.823 -3.326 1.00 0.00 H new ATOM 260 N ARG A 18 -6.129 -1.391 -1.477 1.00 0.00 N ATOM 261 CA ARG A 18 -7.192 -0.357 -1.502 1.00 0.00 C ATOM 262 C ARG A 18 -7.281 0.308 -0.124 1.00 0.00 C ATOM 263 O ARG A 18 -7.851 1.369 0.033 1.00 0.00 O ATOM 264 CB ARG A 18 -8.460 -1.149 -1.799 1.00 0.00 C ATOM 265 CG ARG A 18 -9.649 -0.196 -1.934 1.00 0.00 C ATOM 266 CD ARG A 18 -10.517 -0.626 -3.119 1.00 0.00 C ATOM 267 NE ARG A 18 -10.064 0.224 -4.254 1.00 0.00 N ATOM 268 CZ ARG A 18 -10.582 0.064 -5.444 1.00 0.00 C ATOM 269 NH1 ARG A 18 -11.490 -0.854 -5.647 1.00 0.00 N ATOM 270 NH2 ARG A 18 -10.188 0.820 -6.431 1.00 0.00 N ATOM 0 H ARG A 18 -6.466 -2.354 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.017 0.434 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.335 -1.721 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.647 -1.867 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.238 -0.201 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.296 0.825 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.385 -1.685 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.576 -0.473 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.347 0.934 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.796 -1.448 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.892 -0.977 -6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.477 1.534 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.591 0.697 -7.360 1.00 0.00 H new ATOM 284 N SER A 19 -6.720 -0.321 0.878 1.00 0.00 N ATOM 285 CA SER A 19 -6.765 0.260 2.252 1.00 0.00 C ATOM 286 C SER A 19 -6.046 1.611 2.281 1.00 0.00 C ATOM 287 O SER A 19 -6.231 2.406 3.181 1.00 0.00 O ATOM 288 CB SER A 19 -6.034 -0.744 3.140 1.00 0.00 C ATOM 289 OG SER A 19 -6.629 -2.024 2.987 1.00 0.00 O ATOM 0 H SER A 19 -6.232 -1.214 0.802 1.00 0.00 H new ATOM 0 HA SER A 19 -7.788 0.432 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.979 -0.786 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.084 -0.429 4.182 1.00 0.00 H new ATOM 0 HG SER A 19 -7.412 -1.953 2.402 1.00 0.00 H new ATOM 295 N SER A 20 -5.215 1.870 1.307 1.00 0.00 N ATOM 296 CA SER A 20 -4.470 3.163 1.280 1.00 0.00 C ATOM 297 C SER A 20 -5.438 4.350 1.272 1.00 0.00 C ATOM 298 O SER A 20 -5.159 5.387 1.840 1.00 0.00 O ATOM 299 CB SER A 20 -3.661 3.124 -0.015 1.00 0.00 C ATOM 300 OG SER A 20 -2.283 2.959 0.299 1.00 0.00 O ATOM 0 H SER A 20 -5.019 1.241 0.528 1.00 0.00 H new ATOM 0 HA SER A 20 -3.837 3.286 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.003 2.304 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.810 4.045 -0.579 1.00 0.00 H new ATOM 0 HG SER A 20 -1.760 2.932 -0.529 1.00 0.00 H new ATOM 306 N ASN A 21 -6.566 4.213 0.630 1.00 0.00 N ATOM 307 CA ASN A 21 -7.539 5.344 0.587 1.00 0.00 C ATOM 308 C ASN A 21 -7.643 6.005 1.965 1.00 0.00 C ATOM 309 O ASN A 21 -7.694 7.214 2.081 1.00 0.00 O ATOM 310 CB ASN A 21 -8.874 4.710 0.194 1.00 0.00 C ATOM 311 CG ASN A 21 -9.915 5.810 -0.024 1.00 0.00 C ATOM 312 OD1 ASN A 21 -10.351 6.444 0.916 1.00 0.00 O ATOM 313 ND2 ASN A 21 -10.334 6.065 -1.234 1.00 0.00 N ATOM 0 H ASN A 21 -6.856 3.370 0.135 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.236 6.120 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.756 4.121 -0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.209 4.027 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.027 6.797 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.968 5.533 -2.023 1.00 0.00 H new ATOM 320 N ASN A 22 -7.672 5.224 3.008 1.00 0.00 N ATOM 321 CA ASN A 22 -7.768 5.812 4.376 1.00 0.00 C ATOM 322 C ASN A 22 -6.446 6.489 4.751 1.00 0.00 C ATOM 323 O ASN A 22 -6.422 7.469 5.470 1.00 0.00 O ATOM 324 CB ASN A 22 -8.045 4.627 5.300 1.00 0.00 C ATOM 325 CG ASN A 22 -9.220 3.814 4.751 1.00 0.00 C ATOM 326 OD1 ASN A 22 -9.045 2.700 4.300 1.00 0.00 O ATOM 327 ND2 ASN A 22 -10.420 4.329 4.769 1.00 0.00 N ATOM 0 H ASN A 22 -7.634 4.205 2.974 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.547 6.571 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.158 3.998 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.273 4.982 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.209 3.796 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.568 5.265 5.148 1.00 0.00 H new ATOM 334 N LEU A 23 -5.347 5.973 4.272 1.00 0.00 N ATOM 335 CA LEU A 23 -4.030 6.588 4.604 1.00 0.00 C ATOM 336 C LEU A 23 -4.029 8.068 4.219 1.00 0.00 C ATOM 337 O LEU A 23 -3.995 8.940 5.065 1.00 0.00 O ATOM 338 CB LEU A 23 -3.010 5.812 3.768 1.00 0.00 C ATOM 339 CG LEU A 23 -1.940 5.221 4.688 1.00 0.00 C ATOM 340 CD1 LEU A 23 -1.415 6.308 5.625 1.00 0.00 C ATOM 341 CD2 LEU A 23 -2.550 4.087 5.515 1.00 0.00 C ATOM 0 H LEU A 23 -5.304 5.154 3.666 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.804 6.538 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.508 5.016 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.549 6.472 3.033 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.118 4.833 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.653 5.886 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.981 7.117 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.236 6.697 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.789 3.665 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.372 4.476 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.925 3.311 4.848 1.00 0.00 H new ATOM 353 N GLY A 24 -4.070 8.359 2.946 1.00 0.00 N ATOM 354 CA GLY A 24 -4.075 9.784 2.506 1.00 0.00 C ATOM 355 C GLY A 24 -2.637 10.284 2.365 1.00 0.00 C ATOM 356 O GLY A 24 -2.145 11.006 3.209 1.00 0.00 O ATOM 0 H GLY A 24 -4.100 7.672 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.598 9.879 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.614 10.396 3.229 1.00 0.00 H new ATOM 360 N PRO A 25 -2.012 9.883 1.293 1.00 0.00 N ATOM 361 CA PRO A 25 -0.612 10.296 1.028 1.00 0.00 C ATOM 362 C PRO A 25 -0.520 11.821 0.931 1.00 0.00 C ATOM 363 O PRO A 25 -1.130 12.429 0.073 1.00 0.00 O ATOM 364 CB PRO A 25 -0.275 9.647 -0.316 1.00 0.00 C ATOM 365 CG PRO A 25 -1.328 8.606 -0.544 1.00 0.00 C ATOM 366 CD PRO A 25 -2.545 9.016 0.240 1.00 0.00 C ATOM 0 HA PRO A 25 0.075 9.992 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.276 10.386 -1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.719 9.200 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.564 8.525 -1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.975 7.627 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.264 9.544 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.061 8.151 0.658 1.00 0.00 H new ATOM 374 N VAL A 26 0.239 12.435 1.806 1.00 0.00 N ATOM 375 CA VAL A 26 0.387 13.926 1.785 1.00 0.00 C ATOM 376 C VAL A 26 -0.912 14.596 1.325 1.00 0.00 C ATOM 377 O VAL A 26 -1.105 14.863 0.156 1.00 0.00 O ATOM 378 CB VAL A 26 1.526 14.211 0.801 1.00 0.00 C ATOM 379 CG1 VAL A 26 2.863 13.887 1.466 1.00 0.00 C ATOM 380 CG2 VAL A 26 1.364 13.349 -0.453 1.00 0.00 C ATOM 0 H VAL A 26 0.767 11.964 2.540 1.00 0.00 H new ATOM 0 HA VAL A 26 0.604 14.323 2.777 1.00 0.00 H new ATOM 0 HB VAL A 26 1.498 15.263 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.675 14.089 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.987 14.506 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.882 12.835 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.178 13.559 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.386 12.295 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.412 13.578 -0.932 1.00 0.00 H new ATOM 390 N LEU A 27 -1.808 14.861 2.237 1.00 0.00 N ATOM 391 CA LEU A 27 -3.095 15.502 1.853 1.00 0.00 C ATOM 392 C LEU A 27 -3.019 17.024 2.034 1.00 0.00 C ATOM 393 O LEU A 27 -3.353 17.768 1.135 1.00 0.00 O ATOM 394 CB LEU A 27 -4.137 14.897 2.795 1.00 0.00 C ATOM 395 CG LEU A 27 -5.354 14.439 1.991 1.00 0.00 C ATOM 396 CD1 LEU A 27 -5.895 15.610 1.168 1.00 0.00 C ATOM 397 CD2 LEU A 27 -4.947 13.301 1.052 1.00 0.00 C ATOM 0 H LEU A 27 -1.703 14.661 3.232 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.341 15.327 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.707 14.053 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.438 15.633 3.541 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.128 14.088 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.763 15.282 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.186 16.420 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.122 15.963 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.815 12.974 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.172 13.652 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.564 12.465 1.638 1.00 0.00 H new ATOM 409 N PRO A 28 -2.585 17.440 3.197 1.00 0.00 N ATOM 410 CA PRO A 28 -2.473 18.886 3.492 1.00 0.00 C ATOM 411 C PRO A 28 -1.466 19.544 2.552 1.00 0.00 C ATOM 412 O PRO A 28 -1.702 20.629 2.058 1.00 0.00 O ATOM 413 CB PRO A 28 -1.973 18.943 4.938 1.00 0.00 C ATOM 414 CG PRO A 28 -2.185 17.571 5.493 1.00 0.00 C ATOM 415 CD PRO A 28 -2.165 16.618 4.332 1.00 0.00 C ATOM 0 HA PRO A 28 -3.417 19.414 3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.920 19.223 4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.523 19.688 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.404 17.321 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.135 17.512 6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.171 16.199 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.843 15.780 4.491 1.00 0.00 H new ATOM 423 N PRO A 29 -0.363 18.875 2.339 1.00 0.00 N ATOM 424 CA PRO A 29 0.679 19.420 1.463 1.00 0.00 C ATOM 425 C PRO A 29 0.070 20.051 0.208 1.00 0.00 C ATOM 426 O PRO A 29 -0.702 19.433 -0.498 1.00 0.00 O ATOM 427 CB PRO A 29 1.522 18.200 1.126 1.00 0.00 C ATOM 428 CG PRO A 29 1.413 17.346 2.340 1.00 0.00 C ATOM 429 CD PRO A 29 0.027 17.568 2.881 1.00 0.00 C ATOM 0 HA PRO A 29 1.259 20.217 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.147 17.687 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.557 18.473 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.572 16.296 2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.168 17.618 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.657 16.783 2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.020 17.570 3.971 1.00 0.00 H new ATOM 437 N THR A 30 0.413 21.279 -0.075 1.00 0.00 N ATOM 438 CA THR A 30 -0.146 21.949 -1.285 1.00 0.00 C ATOM 439 C THR A 30 0.542 21.422 -2.548 1.00 0.00 C ATOM 440 O THR A 30 1.727 21.156 -2.557 1.00 0.00 O ATOM 441 CB THR A 30 0.150 23.439 -1.089 1.00 0.00 C ATOM 442 OG1 THR A 30 -0.643 24.199 -1.988 1.00 0.00 O ATOM 443 CG2 THR A 30 1.631 23.713 -1.358 1.00 0.00 C ATOM 0 H THR A 30 1.055 21.847 0.478 1.00 0.00 H new ATOM 0 HA THR A 30 -1.213 21.761 -1.405 1.00 0.00 H new ATOM 0 HB THR A 30 -0.086 23.722 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.456 25.153 -1.863 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.836 24.774 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.240 23.131 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.873 23.429 -2.382 1.00 0.00 H new ATOM 451 N ASN A 31 -0.194 21.270 -3.615 1.00 0.00 N ATOM 452 CA ASN A 31 0.417 20.760 -4.876 1.00 0.00 C ATOM 453 C ASN A 31 1.727 21.499 -5.168 1.00 0.00 C ATOM 454 O ASN A 31 1.914 22.631 -4.771 1.00 0.00 O ATOM 455 CB ASN A 31 -0.619 21.048 -5.963 1.00 0.00 C ATOM 456 CG ASN A 31 -1.175 19.728 -6.501 1.00 0.00 C ATOM 457 OD1 ASN A 31 -0.457 18.953 -7.101 1.00 0.00 O ATOM 458 ND2 ASN A 31 -2.433 19.438 -6.311 1.00 0.00 N ATOM 0 H ASN A 31 -1.191 21.477 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 31 0.660 19.699 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.427 21.657 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.164 21.620 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.813 18.561 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.036 20.089 -5.807 1.00 0.00 H new ATOM 465 N VAL A 32 2.637 20.862 -5.857 1.00 0.00 N ATOM 466 CA VAL A 32 3.937 21.525 -6.169 1.00 0.00 C ATOM 467 C VAL A 32 3.839 22.300 -7.485 1.00 0.00 C ATOM 468 O VAL A 32 4.693 23.101 -7.809 1.00 0.00 O ATOM 469 CB VAL A 32 4.942 20.381 -6.300 1.00 0.00 C ATOM 470 CG1 VAL A 32 4.543 19.486 -7.475 1.00 0.00 C ATOM 471 CG2 VAL A 32 6.338 20.959 -6.548 1.00 0.00 C ATOM 0 H VAL A 32 2.536 19.913 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 32 4.227 22.241 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 32 4.949 19.793 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.259 18.669 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.548 19.078 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.538 20.073 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.057 20.145 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.331 21.545 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.621 21.599 -5.712 1.00 0.00 H new ATOM 481 N GLY A 33 2.807 22.067 -8.249 1.00 0.00 N ATOM 482 CA GLY A 33 2.663 22.792 -9.542 1.00 0.00 C ATOM 483 C GLY A 33 1.275 22.530 -10.125 1.00 0.00 C ATOM 484 O GLY A 33 0.908 21.405 -10.399 1.00 0.00 O ATOM 0 H GLY A 33 2.059 21.407 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.808 23.861 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.431 22.463 -10.242 1.00 0.00 H new ATOM 488 N SER A 34 0.500 23.561 -10.316 1.00 0.00 N ATOM 489 CA SER A 34 -0.864 23.370 -10.882 1.00 0.00 C ATOM 490 C SER A 34 -1.071 24.302 -12.078 1.00 0.00 C ATOM 491 O SER A 34 -1.200 23.863 -13.204 1.00 0.00 O ATOM 492 CB SER A 34 -1.817 23.735 -9.744 1.00 0.00 C ATOM 493 OG SER A 34 -3.150 23.759 -10.239 1.00 0.00 O ATOM 0 H SER A 34 0.752 24.527 -10.105 1.00 0.00 H new ATOM 0 HA SER A 34 -1.028 22.353 -11.239 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.730 23.010 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.553 24.708 -9.330 1.00 0.00 H new ATOM 0 HG SER A 34 -3.765 23.991 -9.512 1.00 0.00 H new ATOM 499 N ASN A 35 -1.103 25.584 -11.843 1.00 0.00 N ATOM 500 CA ASN A 35 -1.299 26.543 -12.969 1.00 0.00 C ATOM 501 C ASN A 35 -0.122 27.521 -13.040 1.00 0.00 C ATOM 502 O ASN A 35 -0.166 28.510 -13.743 1.00 0.00 O ATOM 503 CB ASN A 35 -2.595 27.283 -12.636 1.00 0.00 C ATOM 504 CG ASN A 35 -3.029 28.123 -13.839 1.00 0.00 C ATOM 505 OD1 ASN A 35 -3.126 29.331 -13.748 1.00 0.00 O ATOM 506 ND2 ASN A 35 -3.297 27.531 -14.972 1.00 0.00 N ATOM 0 H ASN A 35 -1.002 26.010 -10.922 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.353 26.042 -13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.377 26.569 -12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.447 27.924 -11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.587 28.083 -15.779 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.216 26.517 -15.049 1.00 0.00 H new ATOM 513 N THR A 36 0.930 27.248 -12.317 1.00 0.00 N ATOM 514 CA THR A 36 2.113 28.159 -12.343 1.00 0.00 C ATOM 515 C THR A 36 3.402 27.350 -12.173 1.00 0.00 C ATOM 516 O THR A 36 3.439 26.367 -11.460 1.00 0.00 O ATOM 517 CB THR A 36 1.915 29.107 -11.159 1.00 0.00 C ATOM 518 OG1 THR A 36 0.536 29.164 -10.824 1.00 0.00 O ATOM 519 CG2 THR A 36 2.408 30.506 -11.535 1.00 0.00 C ATOM 0 H THR A 36 1.023 26.434 -11.709 1.00 0.00 H new ATOM 0 HA THR A 36 2.196 28.700 -13.285 1.00 0.00 H new ATOM 0 HB THR A 36 2.482 28.742 -10.303 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.409 29.770 -10.064 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.266 31.181 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.467 30.462 -11.791 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.843 30.873 -12.392 1.00 0.00 H new ATOM 527 N TYR A 37 4.458 27.755 -12.823 1.00 0.00 N ATOM 528 CA TYR A 37 5.743 27.007 -12.696 1.00 0.00 C ATOM 529 C TYR A 37 6.441 27.372 -11.383 1.00 0.00 C ATOM 530 O TYR A 37 7.338 26.680 -10.940 1.00 0.00 O ATOM 531 CB TYR A 37 6.581 27.456 -13.894 1.00 0.00 C ATOM 532 CG TYR A 37 6.663 28.963 -13.914 1.00 0.00 C ATOM 533 CD1 TYR A 37 7.391 29.637 -12.927 1.00 0.00 C ATOM 534 CD2 TYR A 37 6.012 29.687 -14.921 1.00 0.00 C ATOM 535 CE1 TYR A 37 7.468 31.035 -12.945 1.00 0.00 C ATOM 536 CE2 TYR A 37 6.090 31.084 -14.940 1.00 0.00 C ATOM 537 CZ TYR A 37 6.818 31.758 -13.952 1.00 0.00 C ATOM 538 OH TYR A 37 6.893 33.135 -13.971 1.00 0.00 O ATOM 0 H TYR A 37 4.488 28.570 -13.436 1.00 0.00 H new ATOM 0 HA TYR A 37 5.594 25.927 -12.685 1.00 0.00 H new ATOM 0 HB2 TYR A 37 7.581 27.027 -13.833 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.135 27.093 -14.820 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.894 29.079 -12.151 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.450 29.167 -15.683 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.029 31.555 -12.182 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.589 31.642 -15.717 1.00 0.00 H new ATOM 0 HH TYR A 37 6.387 33.480 -14.736 1.00 0.00 H new HETATM 548 N NH2 A 38 6.062 28.438 -10.734 1.00 0.00 N TER 551 NH2 A 38