USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 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 NoAdj-H: A 26 HIS HD1 : A 26 HIS ND1 : A 52 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 174:sc= 0.951 (180deg=0.939) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0.758 (180deg=0.752) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 1.94 (180deg=1.69) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.738) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0.976 (180deg=0.914) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.733 K(o=0.73,f=-0.0076) USER MOD Single : A 48 GLN : amide:sc= 0.45 K(o=0.45,f=-0.21) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0355 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.538 11.249 -5.671 1.00 0.00 N ATOM 2 CA ALA A 1 2.615 10.316 -6.345 1.00 0.00 C ATOM 3 C ALA A 1 2.469 9.017 -5.546 1.00 0.00 C ATOM 4 O ALA A 1 3.024 8.897 -4.454 1.00 0.00 O ATOM 5 CB ALA A 1 3.086 10.043 -7.779 1.00 0.00 C ATOM 0 H1 ALA A 1 3.700 12.077 -6.279 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.122 11.558 -4.769 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.443 10.771 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 1 1.630 10.779 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.395 9.353 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.115 10.979 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.083 9.603 -7.757 1.00 0.00 H new ATOM 13 N ARG A 2 1.724 8.046 -6.090 1.00 0.00 N ATOM 14 CA ARG A 2 1.606 6.717 -5.510 1.00 0.00 C ATOM 15 C ARG A 2 2.892 5.920 -5.748 1.00 0.00 C ATOM 16 O ARG A 2 3.128 5.413 -6.842 1.00 0.00 O ATOM 17 CB ARG A 2 0.375 5.985 -6.062 1.00 0.00 C ATOM 18 CG ARG A 2 -0.920 6.726 -5.698 1.00 0.00 C ATOM 19 CD ARG A 2 -2.166 5.942 -6.124 1.00 0.00 C ATOM 20 NE ARG A 2 -2.367 4.734 -5.310 1.00 0.00 N ATOM 21 CZ ARG A 2 -3.405 3.892 -5.448 1.00 0.00 C ATOM 22 NH1 ARG A 2 -4.329 4.094 -6.399 1.00 0.00 N ATOM 23 NH2 ARG A 2 -3.524 2.839 -4.628 1.00 0.00 N ATOM 0 H ARG A 2 1.187 8.168 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 2 1.466 6.816 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.455 5.898 -7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.342 4.971 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.950 6.898 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.925 7.705 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.043 6.584 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.075 5.660 -7.173 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.673 4.521 -4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.248 4.894 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.113 3.448 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.827 2.678 -3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.311 2.199 -4.731 1.00 0.00 H new ATOM 37 N CYS A 3 3.704 5.801 -4.693 1.00 0.00 N ATOM 38 CA CYS A 3 4.859 4.916 -4.628 1.00 0.00 C ATOM 39 C CYS A 3 4.373 3.469 -4.596 1.00 0.00 C ATOM 40 O CYS A 3 3.337 3.187 -4.002 1.00 0.00 O ATOM 41 CB CYS A 3 5.610 5.229 -3.331 1.00 0.00 C ATOM 42 SG CYS A 3 6.690 3.927 -2.676 1.00 0.00 S ATOM 0 H CYS A 3 3.567 6.337 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 3 5.510 5.058 -5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.215 6.121 -3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.876 5.478 -2.565 1.00 0.00 H new ATOM 47 N LYS A 4 5.117 2.552 -5.223 1.00 0.00 N ATOM 48 CA LYS A 4 4.673 1.187 -5.455 1.00 0.00 C ATOM 49 C LYS A 4 4.579 0.394 -4.147 1.00 0.00 C ATOM 50 O LYS A 4 3.650 -0.393 -3.972 1.00 0.00 O ATOM 51 CB LYS A 4 5.611 0.503 -6.457 1.00 0.00 C ATOM 52 CG LYS A 4 5.786 1.267 -7.779 1.00 0.00 C ATOM 53 CD LYS A 4 4.458 1.579 -8.482 1.00 0.00 C ATOM 54 CE LYS A 4 4.719 2.229 -9.844 1.00 0.00 C ATOM 55 NZ LYS A 4 3.459 2.604 -10.512 1.00 0.00 N ATOM 0 H LYS A 4 6.051 2.745 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 4 3.669 1.216 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.589 0.374 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.228 -0.494 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.313 2.201 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.414 0.680 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.884 0.662 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.858 2.245 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.341 3.115 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.277 1.539 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.670 3.041 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.877 1.754 -10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.939 3.281 -9.918 1.00 0.00 H new ATOM 69 N VAL A 5 5.534 0.611 -3.235 1.00 0.00 N ATOM 70 CA VAL A 5 5.619 -0.083 -1.954 1.00 0.00 C ATOM 71 C VAL A 5 4.363 0.185 -1.126 1.00 0.00 C ATOM 72 O VAL A 5 3.590 -0.733 -0.862 1.00 0.00 O ATOM 73 CB VAL A 5 6.889 0.342 -1.196 1.00 0.00 C ATOM 74 CG1 VAL A 5 6.997 -0.368 0.161 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.145 0.025 -2.010 1.00 0.00 C ATOM 0 H VAL A 5 6.283 1.289 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 5 5.683 -1.156 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 5 6.814 1.418 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.905 -0.045 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.130 -0.118 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.032 -1.446 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.028 0.335 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.194 -1.047 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.109 0.561 -2.959 1.00 0.00 H new ATOM 85 N CYS A 6 4.170 1.445 -0.718 1.00 0.00 N ATOM 86 CA CYS A 6 3.036 1.852 0.103 1.00 0.00 C ATOM 87 C CYS A 6 1.744 2.005 -0.710 1.00 0.00 C ATOM 88 O CYS A 6 0.682 2.158 -0.108 1.00 0.00 O ATOM 89 CB CYS A 6 3.378 3.110 0.919 1.00 0.00 C ATOM 90 SG CYS A 6 4.114 4.522 0.048 1.00 0.00 S ATOM 0 H CYS A 6 4.802 2.210 -0.952 1.00 0.00 H new ATOM 0 HA CYS A 6 2.837 1.048 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.462 3.455 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.063 2.815 1.714 1.00 0.00 H new ATOM 95 N ARG A 7 1.816 1.912 -2.049 1.00 0.00 N ATOM 96 CA ARG A 7 0.690 1.941 -2.985 1.00 0.00 C ATOM 97 C ARG A 7 -0.326 3.029 -2.638 1.00 0.00 C ATOM 98 O ARG A 7 -1.534 2.798 -2.642 1.00 0.00 O ATOM 99 CB ARG A 7 0.106 0.537 -3.208 1.00 0.00 C ATOM 100 CG ARG A 7 -0.437 -0.164 -1.954 1.00 0.00 C ATOM 101 CD ARG A 7 -0.850 -1.607 -2.274 1.00 0.00 C ATOM 102 NE ARG A 7 0.286 -2.399 -2.772 1.00 0.00 N ATOM 103 CZ ARG A 7 1.338 -2.797 -2.036 1.00 0.00 C ATOM 104 NH1 ARG A 7 1.344 -2.650 -0.704 1.00 0.00 N ATOM 105 NH2 ARG A 7 2.400 -3.343 -2.645 1.00 0.00 N ATOM 0 H ARG A 7 2.711 1.809 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 7 1.064 2.242 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.699 0.610 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.879 -0.093 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.323 -0.163 -1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.294 0.387 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.257 -2.077 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.645 -1.601 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 7 0.274 -2.668 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.542 -2.231 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.151 -2.958 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.405 -3.454 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.203 -3.648 -2.094 1.00 0.00 H new ATOM 119 N LYS A 8 0.188 4.232 -2.365 1.00 0.00 N ATOM 120 CA LYS A 8 -0.559 5.344 -1.805 1.00 0.00 C ATOM 121 C LYS A 8 0.319 6.593 -1.895 1.00 0.00 C ATOM 122 O LYS A 8 1.546 6.494 -1.835 1.00 0.00 O ATOM 123 CB LYS A 8 -0.918 5.034 -0.343 1.00 0.00 C ATOM 124 CG LYS A 8 -1.960 6.002 0.231 1.00 0.00 C ATOM 125 CD LYS A 8 -2.284 5.700 1.703 1.00 0.00 C ATOM 126 CE LYS A 8 -1.121 5.967 2.671 1.00 0.00 C ATOM 127 NZ LYS A 8 -0.712 7.384 2.684 1.00 0.00 N ATOM 0 H LYS A 8 1.168 4.458 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.486 5.508 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.299 4.015 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.015 5.077 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.591 7.024 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.874 5.942 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.140 6.303 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.583 4.655 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.414 5.667 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.269 5.349 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.052 7.518 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.374 7.657 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.525 7.978 2.946 1.00 0.00 H new ATOM 141 N LYS A 9 -0.310 7.764 -2.033 1.00 0.00 N ATOM 142 CA LYS A 9 0.367 9.045 -1.914 1.00 0.00 C ATOM 143 C LYS A 9 0.766 9.240 -0.452 1.00 0.00 C ATOM 144 O LYS A 9 -0.048 9.013 0.443 1.00 0.00 O ATOM 145 CB LYS A 9 -0.568 10.152 -2.425 1.00 0.00 C ATOM 146 CG LYS A 9 0.063 11.550 -2.382 1.00 0.00 C ATOM 147 CD LYS A 9 -0.242 12.303 -1.078 1.00 0.00 C ATOM 148 CE LYS A 9 0.334 13.724 -1.087 1.00 0.00 C ATOM 149 NZ LYS A 9 1.807 13.728 -1.113 1.00 0.00 N ATOM 0 H LYS A 9 -1.307 7.843 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 9 1.273 9.082 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.861 9.925 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.479 10.154 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.143 11.460 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.302 12.134 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.321 12.350 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.171 11.750 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.044 14.262 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.013 14.261 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.156 14.676 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.168 13.035 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.138 13.476 -2.066 1.00 0.00 H new ATOM 163 N GLY A 10 2.023 9.628 -0.212 1.00 0.00 N ATOM 164 CA GLY A 10 2.616 9.650 1.117 1.00 0.00 C ATOM 165 C GLY A 10 3.390 10.945 1.331 1.00 0.00 C ATOM 166 O GLY A 10 3.040 11.984 0.769 1.00 0.00 O ATOM 0 H GLY A 10 2.659 9.938 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.836 9.556 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.282 8.796 1.239 1.00 0.00 H new ATOM 170 N GLU A 11 4.447 10.869 2.146 1.00 0.00 N ATOM 171 CA GLU A 11 5.417 11.937 2.296 1.00 0.00 C ATOM 172 C GLU A 11 6.292 11.968 1.045 1.00 0.00 C ATOM 173 O GLU A 11 7.327 11.307 0.994 1.00 0.00 O ATOM 174 CB GLU A 11 6.242 11.729 3.574 1.00 0.00 C ATOM 175 CG GLU A 11 5.373 11.558 4.828 1.00 0.00 C ATOM 176 CD GLU A 11 4.364 12.691 4.995 1.00 0.00 C ATOM 177 OE1 GLU A 11 4.811 13.804 5.345 1.00 0.00 O ATOM 178 OE2 GLU A 11 3.165 12.426 4.755 1.00 0.00 O ATOM 0 H GLU A 11 4.647 10.052 2.722 1.00 0.00 H new ATOM 0 HA GLU A 11 4.917 12.900 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.873 10.848 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.907 12.581 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.842 10.608 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.014 11.514 5.708 1.00 0.00 H new ATOM 185 N ASP A 12 5.855 12.724 0.031 1.00 0.00 N ATOM 186 CA ASP A 12 6.460 12.731 -1.293 1.00 0.00 C ATOM 187 C ASP A 12 7.677 13.662 -1.295 1.00 0.00 C ATOM 188 O ASP A 12 7.694 14.680 -1.984 1.00 0.00 O ATOM 189 CB ASP A 12 5.416 13.127 -2.349 1.00 0.00 C ATOM 190 CG ASP A 12 4.247 12.150 -2.485 1.00 0.00 C ATOM 191 OD1 ASP A 12 4.297 11.052 -1.888 1.00 0.00 O ATOM 192 OD2 ASP A 12 3.294 12.528 -3.202 1.00 0.00 O ATOM 0 H ASP A 12 5.058 13.356 0.115 1.00 0.00 H new ATOM 0 HA ASP A 12 6.809 11.731 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.022 14.112 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.912 13.217 -3.316 1.00 0.00 H new ATOM 197 N ASP A 13 8.701 13.286 -0.519 1.00 0.00 N ATOM 198 CA ASP A 13 10.010 13.920 -0.497 1.00 0.00 C ATOM 199 C ASP A 13 10.690 13.746 -1.853 1.00 0.00 C ATOM 200 O ASP A 13 10.844 14.708 -2.603 1.00 0.00 O ATOM 201 CB ASP A 13 10.826 13.323 0.660 1.00 0.00 C ATOM 202 CG ASP A 13 12.301 13.713 0.615 1.00 0.00 C ATOM 203 OD1 ASP A 13 12.584 14.930 0.599 1.00 0.00 O ATOM 204 OD2 ASP A 13 13.138 12.786 0.567 1.00 0.00 O ATOM 0 H ASP A 13 8.631 12.503 0.131 1.00 0.00 H new ATOM 0 HA ASP A 13 9.923 14.993 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.398 13.652 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.742 12.237 0.633 1.00 0.00 H new ATOM 209 N LYS A 14 11.104 12.512 -2.149 1.00 0.00 N ATOM 210 CA LYS A 14 11.890 12.155 -3.318 1.00 0.00 C ATOM 211 C LYS A 14 11.504 10.731 -3.713 1.00 0.00 C ATOM 212 O LYS A 14 12.070 9.765 -3.202 1.00 0.00 O ATOM 213 CB LYS A 14 13.394 12.259 -3.025 1.00 0.00 C ATOM 214 CG LYS A 14 13.855 13.689 -2.708 1.00 0.00 C ATOM 215 CD LYS A 14 15.369 13.737 -2.461 1.00 0.00 C ATOM 216 CE LYS A 14 15.767 14.922 -1.575 1.00 0.00 C ATOM 217 NZ LYS A 14 15.390 14.708 -0.162 1.00 0.00 N ATOM 0 H LYS A 14 10.890 11.710 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 14 11.683 12.844 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.638 11.611 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.951 11.888 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.597 14.350 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.328 14.058 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.689 12.808 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.890 13.806 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.843 15.080 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.288 15.828 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.928 15.361 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.372 14.885 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.605 13.727 0.110 1.00 0.00 H new ATOM 231 N LEU A 15 10.519 10.609 -4.610 1.00 0.00 N ATOM 232 CA LEU A 15 10.188 9.348 -5.252 1.00 0.00 C ATOM 233 C LEU A 15 11.303 9.008 -6.240 1.00 0.00 C ATOM 234 O LEU A 15 11.224 9.349 -7.419 1.00 0.00 O ATOM 235 CB LEU A 15 8.821 9.408 -5.949 1.00 0.00 C ATOM 236 CG LEU A 15 7.634 9.319 -4.975 1.00 0.00 C ATOM 237 CD1 LEU A 15 7.402 10.629 -4.212 1.00 0.00 C ATOM 238 CD2 LEU A 15 6.367 8.975 -5.763 1.00 0.00 C ATOM 0 H LEU A 15 9.932 11.389 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 15 10.111 8.565 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.750 10.338 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.753 8.593 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 15 7.867 8.546 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.553 10.512 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.293 10.876 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.195 11.431 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.520 8.910 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.177 9.752 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.501 8.018 -6.267 1.00 0.00 H new ATOM 250 N ILE A 16 12.347 8.339 -5.743 1.00 0.00 N ATOM 251 CA ILE A 16 13.389 7.751 -6.564 1.00 0.00 C ATOM 252 C ILE A 16 12.802 6.562 -7.330 1.00 0.00 C ATOM 253 O ILE A 16 12.288 5.620 -6.731 1.00 0.00 O ATOM 254 CB ILE A 16 14.624 7.383 -5.711 1.00 0.00 C ATOM 255 CG1 ILE A 16 15.675 6.678 -6.586 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.300 6.541 -4.467 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.020 6.504 -5.874 1.00 0.00 C ATOM 0 H ILE A 16 12.487 8.193 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 16 13.748 8.474 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 16 15.024 8.323 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.297 5.700 -6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 16 15.825 7.253 -7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.220 6.326 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.618 7.094 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.832 5.605 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.722 6.001 -6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.416 7.482 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 16 16.880 5.905 -4.974 1.00 0.00 H new ATOM 269 N LEU A 17 12.842 6.628 -8.664 1.00 0.00 N ATOM 270 CA LEU A 17 12.533 5.491 -9.512 1.00 0.00 C ATOM 271 C LEU A 17 13.787 4.625 -9.569 1.00 0.00 C ATOM 272 O LEU A 17 14.874 5.144 -9.818 1.00 0.00 O ATOM 273 CB LEU A 17 12.124 5.964 -10.913 1.00 0.00 C ATOM 274 CG LEU A 17 10.642 6.365 -11.012 1.00 0.00 C ATOM 275 CD1 LEU A 17 10.276 7.540 -10.096 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.322 6.741 -12.463 1.00 0.00 C ATOM 0 H LEU A 17 13.090 7.473 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 17 11.695 4.920 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.743 6.815 -11.197 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.327 5.169 -11.631 1.00 0.00 H new ATOM 0 HG LEU A 17 10.053 5.508 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.218 7.775 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.477 7.269 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.873 8.411 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.273 7.027 -12.542 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.950 7.578 -12.769 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.515 5.886 -13.111 1.00 0.00 H new ATOM 288 N CYS A 18 13.646 3.313 -9.352 1.00 0.00 N ATOM 289 CA CYS A 18 14.770 2.393 -9.461 1.00 0.00 C ATOM 290 C CYS A 18 15.214 2.321 -10.920 1.00 0.00 C ATOM 291 O CYS A 18 14.392 2.077 -11.799 1.00 0.00 O ATOM 292 CB CYS A 18 14.373 1.007 -8.944 1.00 0.00 C ATOM 293 SG CYS A 18 15.549 -0.297 -9.391 1.00 0.00 S ATOM 0 H CYS A 18 12.762 2.870 -9.100 1.00 0.00 H new ATOM 0 HA CYS A 18 15.600 2.752 -8.852 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.281 1.046 -7.859 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.390 0.749 -9.338 1.00 0.00 H new ATOM 298 N ASP A 19 16.510 2.542 -11.170 1.00 0.00 N ATOM 299 CA ASP A 19 17.068 2.605 -12.514 1.00 0.00 C ATOM 300 C ASP A 19 16.787 1.308 -13.275 1.00 0.00 C ATOM 301 O ASP A 19 16.339 1.336 -14.419 1.00 0.00 O ATOM 302 CB ASP A 19 18.570 2.887 -12.422 1.00 0.00 C ATOM 303 CG ASP A 19 19.199 3.008 -13.806 1.00 0.00 C ATOM 304 OD1 ASP A 19 19.107 4.116 -14.376 1.00 0.00 O ATOM 305 OD2 ASP A 19 19.752 1.987 -14.271 1.00 0.00 O ATOM 0 H ASP A 19 17.202 2.683 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 19 16.594 3.414 -13.070 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.735 3.808 -11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.059 2.086 -11.867 1.00 0.00 H new ATOM 310 N GLU A 20 17.023 0.177 -12.603 1.00 0.00 N ATOM 311 CA GLU A 20 16.982 -1.153 -13.183 1.00 0.00 C ATOM 312 C GLU A 20 15.566 -1.509 -13.648 1.00 0.00 C ATOM 313 O GLU A 20 15.350 -1.726 -14.839 1.00 0.00 O ATOM 314 CB GLU A 20 17.532 -2.150 -12.154 1.00 0.00 C ATOM 315 CG GLU A 20 17.664 -3.568 -12.722 1.00 0.00 C ATOM 316 CD GLU A 20 18.221 -4.531 -11.678 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.242 -4.168 -11.054 1.00 0.00 O ATOM 318 OE2 GLU A 20 17.613 -5.610 -11.515 1.00 0.00 O ATOM 0 H GLU A 20 17.254 0.170 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 20 17.607 -1.193 -14.075 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.508 -1.809 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.874 -2.170 -11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.689 -3.919 -13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.318 -3.554 -13.594 1.00 0.00 H new ATOM 325 N CYS A 21 14.606 -1.574 -12.713 1.00 0.00 N ATOM 326 CA CYS A 21 13.271 -2.111 -12.967 1.00 0.00 C ATOM 327 C CYS A 21 12.201 -1.030 -13.156 1.00 0.00 C ATOM 328 O CYS A 21 11.069 -1.369 -13.495 1.00 0.00 O ATOM 329 CB CYS A 21 12.871 -3.095 -11.861 1.00 0.00 C ATOM 330 SG CYS A 21 12.680 -2.408 -10.195 1.00 0.00 S ATOM 0 H CYS A 21 14.740 -1.252 -11.755 1.00 0.00 H new ATOM 0 HA CYS A 21 13.327 -2.642 -13.917 1.00 0.00 H new ATOM 0 HB2 CYS A 21 11.929 -3.564 -12.146 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.621 -3.885 -11.820 1.00 0.00 H new ATOM 335 N ASN A 22 12.532 0.252 -12.938 1.00 0.00 N ATOM 336 CA ASN A 22 11.646 1.386 -13.185 1.00 0.00 C ATOM 337 C ASN A 22 10.394 1.306 -12.308 1.00 0.00 C ATOM 338 O ASN A 22 9.285 1.117 -12.808 1.00 0.00 O ATOM 339 CB ASN A 22 11.341 1.514 -14.686 1.00 0.00 C ATOM 340 CG ASN A 22 10.650 2.837 -15.012 1.00 0.00 C ATOM 341 OD1 ASN A 22 9.453 2.867 -15.284 1.00 0.00 O ATOM 342 ND2 ASN A 22 11.407 3.935 -14.994 1.00 0.00 N ATOM 0 H ASN A 22 13.445 0.529 -12.577 1.00 0.00 H new ATOM 0 HA ASN A 22 12.152 2.307 -12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.269 1.439 -15.253 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.707 0.685 -15.000 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.995 4.842 -15.211 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.398 3.867 -14.763 1.00 0.00 H new ATOM 349 N LYS A 23 10.583 1.436 -10.987 1.00 0.00 N ATOM 350 CA LYS A 23 9.538 1.354 -9.989 1.00 0.00 C ATOM 351 C LYS A 23 9.736 2.473 -8.968 1.00 0.00 C ATOM 352 O LYS A 23 10.839 2.651 -8.452 1.00 0.00 O ATOM 353 CB LYS A 23 9.621 -0.016 -9.310 1.00 0.00 C ATOM 354 CG LYS A 23 9.326 -1.197 -10.248 1.00 0.00 C ATOM 355 CD LYS A 23 7.870 -1.244 -10.739 1.00 0.00 C ATOM 356 CE LYS A 23 7.686 -2.277 -11.856 1.00 0.00 C ATOM 357 NZ LYS A 23 8.310 -1.842 -13.120 1.00 0.00 N ATOM 0 H LYS A 23 11.504 1.607 -10.583 1.00 0.00 H new ATOM 0 HA LYS A 23 8.556 1.468 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.618 -0.141 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.917 -0.041 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.990 -1.140 -11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.556 -2.128 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.212 -1.487 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.575 -0.259 -11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.120 -3.227 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.622 -2.450 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.048 -2.501 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.978 -0.886 -13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.344 -1.832 -13.011 1.00 0.00 H new ATOM 371 N ALA A 24 8.661 3.221 -8.689 1.00 0.00 N ATOM 372 CA ALA A 24 8.687 4.433 -7.883 1.00 0.00 C ATOM 373 C ALA A 24 8.742 4.088 -6.394 1.00 0.00 C ATOM 374 O ALA A 24 7.905 3.336 -5.895 1.00 0.00 O ATOM 375 CB ALA A 24 7.457 5.286 -8.201 1.00 0.00 C ATOM 0 H ALA A 24 7.728 2.988 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 24 9.583 5.004 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.477 6.193 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.463 5.553 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.553 4.720 -7.975 1.00 0.00 H new ATOM 381 N PHE A 25 9.731 4.654 -5.697 1.00 0.00 N ATOM 382 CA PHE A 25 10.100 4.314 -4.332 1.00 0.00 C ATOM 383 C PHE A 25 10.420 5.607 -3.590 1.00 0.00 C ATOM 384 O PHE A 25 11.283 6.356 -4.037 1.00 0.00 O ATOM 385 CB PHE A 25 11.349 3.414 -4.353 1.00 0.00 C ATOM 386 CG PHE A 25 11.086 1.942 -4.103 1.00 0.00 C ATOM 387 CD1 PHE A 25 10.593 1.128 -5.138 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.422 1.370 -2.863 1.00 0.00 C ATOM 389 CE1 PHE A 25 10.453 -0.257 -4.940 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.329 -0.020 -2.680 1.00 0.00 C ATOM 391 CZ PHE A 25 10.828 -0.832 -3.714 1.00 0.00 C ATOM 0 H PHE A 25 10.317 5.391 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 25 9.285 3.786 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.838 3.520 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.050 3.775 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.321 1.567 -6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.752 2.000 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.057 -0.878 -5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.642 -0.465 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.732 -1.897 -3.565 1.00 0.00 H new ATOM 401 N HIS A 26 9.741 5.894 -2.471 1.00 0.00 N ATOM 402 CA HIS A 26 10.183 6.975 -1.599 1.00 0.00 C ATOM 403 C HIS A 26 11.535 6.551 -1.028 1.00 0.00 C ATOM 404 O HIS A 26 11.747 5.365 -0.785 1.00 0.00 O ATOM 405 CB HIS A 26 9.209 7.195 -0.437 1.00 0.00 C ATOM 406 CG HIS A 26 7.838 7.684 -0.817 1.00 0.00 C ATOM 407 ND1 HIS A 26 6.678 6.905 -0.844 1.00 0.00 N ATOM 408 CD2 HIS A 26 7.519 8.984 -1.075 1.00 0.00 C ATOM 409 CE1 HIS A 26 5.683 7.765 -1.114 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.156 9.015 -1.256 1.00 0.00 N ATOM 0 H HIS A 26 8.904 5.402 -2.159 1.00 0.00 H new ATOM 0 HA HIS A 26 10.240 7.904 -2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.102 6.256 0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.652 7.913 0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.200 9.821 -1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.643 7.489 -1.205 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.599 9.844 -1.463 1.00 0.00 H new ATOM 418 N LEU A 27 12.445 7.499 -0.783 1.00 0.00 N ATOM 419 CA LEU A 27 13.661 7.196 -0.037 1.00 0.00 C ATOM 420 C LEU A 27 13.335 6.617 1.342 1.00 0.00 C ATOM 421 O LEU A 27 14.036 5.720 1.801 1.00 0.00 O ATOM 422 CB LEU A 27 14.551 8.436 0.078 1.00 0.00 C ATOM 423 CG LEU A 27 15.226 8.819 -1.251 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.898 10.185 -1.100 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.307 7.815 -1.680 1.00 0.00 C ATOM 0 H LEU A 27 12.361 8.469 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 27 14.214 6.436 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.951 9.275 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.319 8.256 0.830 1.00 0.00 H new ATOM 0 HG LEU A 27 14.444 8.829 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.378 10.460 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.148 10.933 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.648 10.136 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.748 8.136 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.082 7.766 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.859 6.829 -1.806 1.00 0.00 H new ATOM 437 N PHE A 28 12.252 7.084 1.975 1.00 0.00 N ATOM 438 CA PHE A 28 11.699 6.486 3.184 1.00 0.00 C ATOM 439 C PHE A 28 11.455 4.982 3.024 1.00 0.00 C ATOM 440 O PHE A 28 11.889 4.196 3.865 1.00 0.00 O ATOM 441 CB PHE A 28 10.403 7.208 3.568 1.00 0.00 C ATOM 442 CG PHE A 28 10.550 8.707 3.762 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.475 9.208 4.699 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.759 9.603 3.016 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.628 10.595 4.870 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.900 10.989 3.203 1.00 0.00 C ATOM 447 CZ PHE A 28 10.838 11.486 4.124 1.00 0.00 C ATOM 0 H PHE A 28 11.732 7.900 1.653 1.00 0.00 H new ATOM 0 HA PHE A 28 12.431 6.603 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.658 7.026 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.018 6.771 4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.069 8.524 5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.044 9.225 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.353 10.976 5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.286 11.674 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.952 12.552 4.258 1.00 0.00 H new ATOM 457 N CYS A 29 10.755 4.586 1.953 1.00 0.00 N ATOM 458 CA CYS A 29 10.444 3.194 1.653 1.00 0.00 C ATOM 459 C CYS A 29 11.716 2.407 1.321 1.00 0.00 C ATOM 460 O CYS A 29 11.829 1.240 1.692 1.00 0.00 O ATOM 461 CB CYS A 29 9.433 3.125 0.501 1.00 0.00 C ATOM 462 SG CYS A 29 7.842 3.931 0.835 1.00 0.00 S ATOM 0 H CYS A 29 10.385 5.240 1.263 1.00 0.00 H new ATOM 0 HA CYS A 29 9.998 2.735 2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.878 3.583 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.250 2.078 0.259 1.00 0.00 H new ATOM 467 N LEU A 30 12.665 3.041 0.620 1.00 0.00 N ATOM 468 CA LEU A 30 13.853 2.388 0.087 1.00 0.00 C ATOM 469 C LEU A 30 14.881 2.206 1.210 1.00 0.00 C ATOM 470 O LEU A 30 15.101 1.089 1.673 1.00 0.00 O ATOM 471 CB LEU A 30 14.376 3.196 -1.119 1.00 0.00 C ATOM 472 CG LEU A 30 15.139 2.349 -2.147 1.00 0.00 C ATOM 473 CD1 LEU A 30 15.582 3.233 -3.317 1.00 0.00 C ATOM 474 CD2 LEU A 30 16.364 1.662 -1.542 1.00 0.00 C ATOM 0 H LEU A 30 12.622 4.038 0.408 1.00 0.00 H new ATOM 0 HA LEU A 30 13.626 1.389 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.534 3.679 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.031 3.989 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 30 14.459 1.570 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.123 2.629 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.706 3.674 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.233 4.026 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 30 16.869 1.076 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.049 2.416 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.049 1.004 -0.732 1.00 0.00 H new ATOM 486 N ARG A 31 15.506 3.310 1.633 1.00 0.00 N ATOM 487 CA ARG A 31 16.535 3.383 2.663 1.00 0.00 C ATOM 488 C ARG A 31 16.448 4.772 3.310 1.00 0.00 C ATOM 489 O ARG A 31 17.002 5.720 2.754 1.00 0.00 O ATOM 490 CB ARG A 31 17.934 3.212 2.045 1.00 0.00 C ATOM 491 CG ARG A 31 18.301 1.759 1.714 1.00 0.00 C ATOM 492 CD ARG A 31 19.655 1.681 1.000 1.00 0.00 C ATOM 493 NE ARG A 31 19.586 2.328 -0.317 1.00 0.00 N ATOM 494 CZ ARG A 31 20.430 2.141 -1.343 1.00 0.00 C ATOM 495 NH1 ARG A 31 21.545 1.412 -1.199 1.00 0.00 N ATOM 496 NH2 ARG A 31 20.136 2.697 -2.524 1.00 0.00 N ATOM 0 H ARG A 31 15.291 4.226 1.240 1.00 0.00 H new ATOM 0 HA ARG A 31 16.379 2.590 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.991 3.806 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.676 3.614 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.336 1.171 2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.528 1.320 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.420 2.163 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 31 19.951 0.638 0.883 1.00 0.00 H new ATOM 0 HE ARG A 31 18.820 2.985 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.764 0.988 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 31 22.175 1.281 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.285 3.249 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.763 2.568 -3.318 1.00 0.00 H new ATOM 510 N PRO A 32 15.771 4.931 4.459 1.00 0.00 N ATOM 511 CA PRO A 32 15.471 6.240 5.025 1.00 0.00 C ATOM 512 C PRO A 32 16.751 7.004 5.389 1.00 0.00 C ATOM 513 O PRO A 32 16.801 8.222 5.233 1.00 0.00 O ATOM 514 CB PRO A 32 14.603 5.963 6.254 1.00 0.00 C ATOM 515 CG PRO A 32 15.058 4.575 6.704 1.00 0.00 C ATOM 516 CD PRO A 32 15.398 3.875 5.387 1.00 0.00 C ATOM 0 HA PRO A 32 14.952 6.878 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.760 6.709 7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.541 5.977 6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.922 4.629 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.272 4.050 7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.215 3.166 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.544 3.310 5.013 1.00 0.00 H new ATOM 524 N ALA A 33 17.790 6.284 5.838 1.00 0.00 N ATOM 525 CA ALA A 33 19.127 6.810 6.089 1.00 0.00 C ATOM 526 C ALA A 33 19.686 7.608 4.908 1.00 0.00 C ATOM 527 O ALA A 33 20.366 8.613 5.110 1.00 0.00 O ATOM 528 CB ALA A 33 20.063 5.653 6.447 1.00 0.00 C ATOM 0 H ALA A 33 17.713 5.287 6.041 1.00 0.00 H new ATOM 0 HA ALA A 33 19.057 7.509 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.064 6.040 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.694 5.150 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.098 4.944 5.620 1.00 0.00 H new ATOM 534 N LEU A 34 19.420 7.153 3.678 1.00 0.00 N ATOM 535 CA LEU A 34 19.697 7.920 2.473 1.00 0.00 C ATOM 536 C LEU A 34 18.567 8.933 2.288 1.00 0.00 C ATOM 537 O LEU A 34 17.638 8.691 1.525 1.00 0.00 O ATOM 538 CB LEU A 34 19.844 6.994 1.259 1.00 0.00 C ATOM 539 CG LEU A 34 21.218 6.315 1.141 1.00 0.00 C ATOM 540 CD1 LEU A 34 22.349 7.303 0.823 1.00 0.00 C ATOM 541 CD2 LEU A 34 21.585 5.454 2.354 1.00 0.00 C ATOM 0 H LEU A 34 19.005 6.239 3.497 1.00 0.00 H new ATOM 0 HA LEU A 34 20.644 8.452 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.075 6.223 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.658 7.571 0.353 1.00 0.00 H new ATOM 0 HG LEU A 34 21.112 5.642 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 34 23.294 6.764 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 34 22.143 7.800 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 34 22.415 8.048 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 34 22.567 5.007 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.606 6.076 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.843 4.665 2.478 1.00 0.00 H new ATOM 553 N TYR A 35 18.651 10.071 2.989 1.00 0.00 N ATOM 554 CA TYR A 35 17.655 11.137 2.923 1.00 0.00 C ATOM 555 C TYR A 35 17.674 11.867 1.575 1.00 0.00 C ATOM 556 O TYR A 35 16.674 12.480 1.198 1.00 0.00 O ATOM 557 CB TYR A 35 17.880 12.126 4.074 1.00 0.00 C ATOM 558 CG TYR A 35 17.745 11.503 5.449 1.00 0.00 C ATOM 559 CD1 TYR A 35 16.468 11.249 5.982 1.00 0.00 C ATOM 560 CD2 TYR A 35 18.891 11.110 6.164 1.00 0.00 C ATOM 561 CE1 TYR A 35 16.337 10.585 7.216 1.00 0.00 C ATOM 562 CE2 TYR A 35 18.760 10.433 7.389 1.00 0.00 C ATOM 563 CZ TYR A 35 17.484 10.155 7.905 1.00 0.00 C ATOM 564 OH TYR A 35 17.361 9.469 9.078 1.00 0.00 O ATOM 0 H TYR A 35 19.423 10.275 3.624 1.00 0.00 H new ATOM 0 HA TYR A 35 16.671 10.679 3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.875 12.561 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.165 12.944 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 35 15.587 11.564 5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 35 19.873 11.329 5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 35 15.357 10.406 7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 35 19.641 10.127 7.933 1.00 0.00 H new ATOM 0 HH TYR A 35 18.251 9.246 9.422 1.00 0.00 H new ATOM 574 N GLU A 36 18.803 11.807 0.855 1.00 0.00 N ATOM 575 CA GLU A 36 18.926 12.255 -0.525 1.00 0.00 C ATOM 576 C GLU A 36 19.332 11.079 -1.418 1.00 0.00 C ATOM 577 O GLU A 36 19.686 10.008 -0.925 1.00 0.00 O ATOM 578 CB GLU A 36 19.940 13.402 -0.610 1.00 0.00 C ATOM 579 CG GLU A 36 19.536 14.569 0.300 1.00 0.00 C ATOM 580 CD GLU A 36 20.388 15.801 0.020 1.00 0.00 C ATOM 581 OE1 GLU A 36 21.508 15.857 0.572 1.00 0.00 O ATOM 582 OE2 GLU A 36 19.904 16.660 -0.749 1.00 0.00 O ATOM 0 H GLU A 36 19.674 11.435 1.233 1.00 0.00 H new ATOM 0 HA GLU A 36 17.965 12.629 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.927 13.040 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.014 13.750 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.484 14.808 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.647 14.276 1.344 1.00 0.00 H new ATOM 589 N VAL A 37 19.256 11.285 -2.738 1.00 0.00 N ATOM 590 CA VAL A 37 19.395 10.232 -3.736 1.00 0.00 C ATOM 591 C VAL A 37 20.829 9.686 -3.729 1.00 0.00 C ATOM 592 O VAL A 37 21.770 10.479 -3.759 1.00 0.00 O ATOM 593 CB VAL A 37 19.016 10.790 -5.122 1.00 0.00 C ATOM 594 CG1 VAL A 37 19.374 9.826 -6.263 1.00 0.00 C ATOM 595 CG2 VAL A 37 17.514 11.096 -5.180 1.00 0.00 C ATOM 0 H VAL A 37 19.093 12.206 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 37 18.723 9.407 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 37 19.594 11.704 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.086 10.268 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.448 9.640 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.842 8.885 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.261 11.489 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.949 10.182 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.264 11.835 -4.419 1.00 0.00 H new ATOM 605 N PRO A 38 21.019 8.355 -3.694 1.00 0.00 N ATOM 606 CA PRO A 38 22.322 7.751 -3.914 1.00 0.00 C ATOM 607 C PRO A 38 22.571 7.687 -5.419 1.00 0.00 C ATOM 608 O PRO A 38 22.081 6.781 -6.093 1.00 0.00 O ATOM 609 CB PRO A 38 22.264 6.364 -3.271 1.00 0.00 C ATOM 610 CG PRO A 38 20.778 6.016 -3.284 1.00 0.00 C ATOM 611 CD PRO A 38 20.085 7.373 -3.165 1.00 0.00 C ATOM 0 HA PRO A 38 23.143 8.318 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.850 5.638 -3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.663 6.377 -2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.496 5.502 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.514 5.358 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 38 19.151 7.383 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.836 7.593 -2.127 1.00 0.00 H new ATOM 619 N ASP A 39 23.331 8.661 -5.936 1.00 0.00 N ATOM 620 CA ASP A 39 23.761 8.702 -7.325 1.00 0.00 C ATOM 621 C ASP A 39 24.897 7.697 -7.547 1.00 0.00 C ATOM 622 O ASP A 39 26.044 8.068 -7.791 1.00 0.00 O ATOM 623 CB ASP A 39 24.148 10.141 -7.698 1.00 0.00 C ATOM 624 CG ASP A 39 24.524 10.292 -9.172 1.00 0.00 C ATOM 625 OD1 ASP A 39 23.945 9.552 -9.996 1.00 0.00 O ATOM 626 OD2 ASP A 39 25.381 11.159 -9.451 1.00 0.00 O ATOM 0 H ASP A 39 23.666 9.452 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 39 22.947 8.407 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.315 10.807 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.988 10.458 -7.080 1.00 0.00 H new ATOM 631 N GLY A 40 24.558 6.409 -7.450 1.00 0.00 N ATOM 632 CA GLY A 40 25.481 5.301 -7.603 1.00 0.00 C ATOM 633 C GLY A 40 24.727 4.004 -7.342 1.00 0.00 C ATOM 634 O GLY A 40 24.526 3.203 -8.252 1.00 0.00 O ATOM 0 H GLY A 40 23.603 6.108 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.905 5.297 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.313 5.402 -6.906 1.00 0.00 H new ATOM 638 N GLU A 41 24.265 3.829 -6.099 1.00 0.00 N ATOM 639 CA GLU A 41 23.517 2.662 -5.658 1.00 0.00 C ATOM 640 C GLU A 41 22.033 2.866 -5.985 1.00 0.00 C ATOM 641 O GLU A 41 21.181 2.747 -5.105 1.00 0.00 O ATOM 642 CB GLU A 41 23.740 2.441 -4.150 1.00 0.00 C ATOM 643 CG GLU A 41 25.215 2.271 -3.749 1.00 0.00 C ATOM 644 CD GLU A 41 26.030 3.565 -3.792 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.426 4.637 -3.568 1.00 0.00 O ATOM 646 OE2 GLU A 41 27.246 3.459 -4.063 1.00 0.00 O ATOM 0 H GLU A 41 24.408 4.516 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 41 23.865 1.770 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.322 3.287 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 41 23.186 1.556 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.261 1.860 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.678 1.541 -4.412 1.00 0.00 H new ATOM 653 N TRP A 42 21.723 3.158 -7.255 1.00 0.00 N ATOM 654 CA TRP A 42 20.405 3.599 -7.697 1.00 0.00 C ATOM 655 C TRP A 42 19.506 2.387 -7.970 1.00 0.00 C ATOM 656 O TRP A 42 19.072 2.156 -9.099 1.00 0.00 O ATOM 657 CB TRP A 42 20.582 4.522 -8.914 1.00 0.00 C ATOM 658 CG TRP A 42 19.464 5.481 -9.213 1.00 0.00 C ATOM 659 CD1 TRP A 42 18.142 5.197 -9.221 1.00 0.00 C ATOM 660 CD2 TRP A 42 19.561 6.903 -9.538 1.00 0.00 C ATOM 661 NE1 TRP A 42 17.424 6.330 -9.529 1.00 0.00 N ATOM 662 CE2 TRP A 42 18.244 7.419 -9.720 1.00 0.00 C ATOM 663 CE3 TRP A 42 20.629 7.812 -9.704 1.00 0.00 C ATOM 664 CZ2 TRP A 42 17.996 8.764 -10.032 1.00 0.00 C ATOM 665 CZ3 TRP A 42 20.394 9.167 -10.006 1.00 0.00 C ATOM 666 CH2 TRP A 42 19.081 9.644 -10.169 1.00 0.00 C ATOM 0 H TRP A 42 22.400 3.091 -8.015 1.00 0.00 H new ATOM 0 HA TRP A 42 19.901 4.173 -6.920 1.00 0.00 H new ATOM 0 HB2 TRP A 42 21.495 5.100 -8.770 1.00 0.00 H new ATOM 0 HB3 TRP A 42 20.736 3.897 -9.793 1.00 0.00 H new ATOM 0 HD1 TRP A 42 17.714 4.227 -9.016 1.00 0.00 H new ATOM 0 HE1 TRP A 42 16.407 6.359 -9.606 1.00 0.00 H new ATOM 0 HE3 TRP A 42 21.645 7.461 -9.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 16.984 9.118 -10.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 21.228 9.845 -10.113 1.00 0.00 H new ATOM 0 HH2 TRP A 42 18.908 10.685 -10.399 1.00 0.00 H new ATOM 677 N GLN A 43 19.235 1.603 -6.918 1.00 0.00 N ATOM 678 CA GLN A 43 18.502 0.349 -6.987 1.00 0.00 C ATOM 679 C GLN A 43 17.649 0.204 -5.724 1.00 0.00 C ATOM 680 O GLN A 43 18.115 0.494 -4.622 1.00 0.00 O ATOM 681 CB GLN A 43 19.474 -0.831 -7.118 1.00 0.00 C ATOM 682 CG GLN A 43 20.222 -0.875 -8.456 1.00 0.00 C ATOM 683 CD GLN A 43 21.273 -1.981 -8.442 1.00 0.00 C ATOM 684 OE1 GLN A 43 22.284 -1.857 -7.754 1.00 0.00 O ATOM 685 NE2 GLN A 43 21.047 -3.069 -9.178 1.00 0.00 N ATOM 0 H GLN A 43 19.532 1.838 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 43 17.855 0.351 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 43 20.202 -0.781 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 43 18.920 -1.761 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 43 19.516 -1.046 -9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 43 20.699 0.087 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 43 20.197 -3.139 -9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.724 -3.832 -9.182 1.00 0.00 H new ATOM 694 N CYS A 44 16.400 -0.241 -5.895 1.00 0.00 N ATOM 695 CA CYS A 44 15.510 -0.644 -4.813 1.00 0.00 C ATOM 696 C CYS A 44 15.993 -1.973 -4.210 1.00 0.00 C ATOM 697 O CYS A 44 16.702 -2.703 -4.897 1.00 0.00 O ATOM 698 CB CYS A 44 14.076 -0.711 -5.352 1.00 0.00 C ATOM 699 SG CYS A 44 13.745 -1.976 -6.606 1.00 0.00 S ATOM 0 H CYS A 44 15.973 -0.331 -6.817 1.00 0.00 H new ATOM 0 HA CYS A 44 15.522 0.085 -4.003 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.403 -0.879 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.824 0.262 -5.773 1.00 0.00 H new ATOM 704 N PRO A 45 15.614 -2.313 -2.962 1.00 0.00 N ATOM 705 CA PRO A 45 16.174 -3.418 -2.181 1.00 0.00 C ATOM 706 C PRO A 45 16.414 -4.731 -2.936 1.00 0.00 C ATOM 707 O PRO A 45 17.439 -5.376 -2.724 1.00 0.00 O ATOM 708 CB PRO A 45 15.219 -3.629 -1.003 1.00 0.00 C ATOM 709 CG PRO A 45 14.610 -2.244 -0.811 1.00 0.00 C ATOM 710 CD PRO A 45 14.471 -1.762 -2.252 1.00 0.00 C ATOM 0 HA PRO A 45 17.182 -3.134 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.459 -4.378 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.746 -3.967 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.648 -2.287 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.255 -1.592 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.534 -2.105 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.466 -0.673 -2.302 1.00 0.00 H new ATOM 718 N ALA A 46 15.468 -5.147 -3.787 1.00 0.00 N ATOM 719 CA ALA A 46 15.521 -6.426 -4.479 1.00 0.00 C ATOM 720 C ALA A 46 16.592 -6.389 -5.569 1.00 0.00 C ATOM 721 O ALA A 46 17.346 -7.345 -5.737 1.00 0.00 O ATOM 722 CB ALA A 46 14.147 -6.737 -5.077 1.00 0.00 C ATOM 0 H ALA A 46 14.640 -4.595 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 46 15.784 -7.213 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.184 -7.695 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.406 -6.785 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.871 -5.953 -5.782 1.00 0.00 H new ATOM 728 N CYS A 47 16.646 -5.274 -6.304 1.00 0.00 N ATOM 729 CA CYS A 47 17.662 -5.001 -7.304 1.00 0.00 C ATOM 730 C CYS A 47 19.035 -4.770 -6.662 1.00 0.00 C ATOM 731 O CYS A 47 20.052 -5.161 -7.229 1.00 0.00 O ATOM 732 CB CYS A 47 17.210 -3.802 -8.138 1.00 0.00 C ATOM 733 SG CYS A 47 15.717 -4.121 -9.109 1.00 0.00 S ATOM 0 H CYS A 47 15.963 -4.522 -6.211 1.00 0.00 H new ATOM 0 HA CYS A 47 17.778 -5.867 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.029 -2.956 -7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.017 -3.513 -8.811 1.00 0.00 H new ATOM 738 N GLN A 48 19.059 -4.151 -5.476 1.00 0.00 N ATOM 739 CA GLN A 48 20.263 -3.693 -4.799 1.00 0.00 C ATOM 740 C GLN A 48 21.067 -4.912 -4.326 1.00 0.00 C ATOM 741 O GLN A 48 20.484 -5.834 -3.755 1.00 0.00 O ATOM 742 CB GLN A 48 19.836 -2.820 -3.609 1.00 0.00 C ATOM 743 CG GLN A 48 20.998 -2.130 -2.884 1.00 0.00 C ATOM 744 CD GLN A 48 21.647 -1.030 -3.720 1.00 0.00 C ATOM 745 OE1 GLN A 48 22.818 -1.122 -4.075 1.00 0.00 O ATOM 746 NE2 GLN A 48 20.896 0.036 -4.007 1.00 0.00 N ATOM 0 H GLN A 48 18.209 -3.952 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 48 20.893 -3.107 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.141 -2.059 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.294 -3.440 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 48 20.635 -1.703 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.751 -2.874 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.926 0.076 -3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.292 0.811 -4.539 1.00 0.00 H new ATOM 755 N PRO A 49 22.390 -4.945 -4.557 1.00 0.00 N ATOM 756 CA PRO A 49 23.266 -5.941 -3.960 1.00 0.00 C ATOM 757 C PRO A 49 23.231 -5.900 -2.431 1.00 0.00 C ATOM 758 O PRO A 49 23.392 -4.837 -1.833 1.00 0.00 O ATOM 759 CB PRO A 49 24.659 -5.647 -4.516 1.00 0.00 C ATOM 760 CG PRO A 49 24.338 -5.129 -5.916 1.00 0.00 C ATOM 761 CD PRO A 49 23.056 -4.328 -5.695 1.00 0.00 C ATOM 0 HA PRO A 49 22.946 -6.952 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.189 -4.906 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.284 -6.540 -4.544 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.141 -4.506 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 49 24.189 -5.944 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 49 23.280 -3.280 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.421 -4.355 -6.581 1.00 0.00 H new ATOM 769 N ALA A 50 23.022 -7.065 -1.808 1.00 0.00 N ATOM 770 CA ALA A 50 23.162 -7.264 -0.375 1.00 0.00 C ATOM 771 C ALA A 50 23.551 -8.718 -0.107 1.00 0.00 C ATOM 772 O ALA A 50 23.260 -9.599 -0.917 1.00 0.00 O ATOM 773 CB ALA A 50 21.847 -6.913 0.329 1.00 0.00 C ATOM 0 H ALA A 50 22.744 -7.911 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 50 23.943 -6.612 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 50 21.958 -7.064 1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 50 21.596 -5.870 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 21.050 -7.555 -0.047 1.00 0.00 H new ATOM 779 N THR A 51 24.226 -8.961 1.022 1.00 0.00 N ATOM 780 CA THR A 51 24.636 -10.287 1.465 1.00 0.00 C ATOM 781 C THR A 51 24.703 -10.285 2.992 1.00 0.00 C ATOM 782 O THR A 51 24.214 -11.269 3.588 1.00 0.00 O ATOM 783 CB THR A 51 25.992 -10.661 0.844 1.00 0.00 C ATOM 784 OG1 THR A 51 25.955 -10.507 -0.562 1.00 0.00 O ATOM 785 CG2 THR A 51 26.370 -12.112 1.160 1.00 0.00 C ATOM 786 OXT THR A 51 25.243 -9.296 3.536 1.00 0.00 O ATOM 0 H THR A 51 24.506 -8.220 1.664 1.00 0.00 H new ATOM 0 HA THR A 51 23.914 -11.036 1.139 1.00 0.00 H new ATOM 0 HB THR A 51 26.736 -9.992 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 51 26.826 -10.748 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 51 27.334 -12.344 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.436 -12.244 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 51 25.609 -12.782 0.759 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 6.302 4.850 -0.608 1.00 0.00 ZN HETATM 796 ZN ZN A 53 14.471 -2.222 -8.772 1.00 0.00 ZN