USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 856 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 33 TYR OH : rot 180:sc= 0.231 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -131:sc= 0.172 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 106:sc= 0.432 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.22) USER MOD Single : A 25 THR OG1 : rot -28:sc= 1.25 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0662) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.721 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0623) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.255 K(o=-0.25,f=-0.94) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 3:sc= -6.42! USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= -1.18 (180deg=-4.01!) USER MOD Single : A 88 TYR OH : rot 15:sc= -0.742 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00633) USER MOD Single : A 95 GLN : amide:sc= -2.43 K(o=-2.4,f=-1.7) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 99 TYR OH : rot 130:sc= -1.05 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.0362 K(o=0.036,f=-0.59) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -3.689 8.913 4.536 1.00 0.00 N ATOM 98 CA VAL A 9 -2.297 8.529 4.734 1.00 0.00 C ATOM 99 C VAL A 9 -2.140 7.660 5.978 1.00 0.00 C ATOM 100 O VAL A 9 -2.759 7.919 7.010 1.00 0.00 O ATOM 101 CB VAL A 9 -1.385 9.764 4.863 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.077 9.348 4.926 1.00 0.00 C ATOM 103 CG2 VAL A 9 -1.624 10.727 3.708 1.00 0.00 C ATOM 0 HA VAL A 9 -1.997 7.958 3.855 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.631 10.278 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.704 10.235 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.235 8.702 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.341 8.809 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.971 11.593 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.408 10.225 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.664 11.053 3.715 1.00 0.00 H new ATOM 113 N THR A 10 -1.309 6.629 5.872 1.00 0.00 N ATOM 114 CA THR A 10 -1.071 5.722 6.989 1.00 0.00 C ATOM 115 C THR A 10 0.417 5.420 7.140 1.00 0.00 C ATOM 116 O THR A 10 1.121 5.207 6.151 1.00 0.00 O ATOM 117 CB THR A 10 -1.849 4.420 6.790 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.182 4.688 6.394 1.00 0.00 O ATOM 119 CG2 THR A 10 -1.903 3.560 8.033 1.00 0.00 C ATOM 0 H THR A 10 -0.789 6.400 5.025 1.00 0.00 H new ATOM 0 HA THR A 10 -1.418 6.210 7.900 1.00 0.00 H new ATOM 0 HB THR A 10 -1.309 3.876 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.288 4.482 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.469 2.652 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.890 3.294 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.389 4.113 8.837 1.00 0.00 H new ATOM 127 N VAL A 11 0.887 5.404 8.384 1.00 0.00 N ATOM 128 CA VAL A 11 2.290 5.129 8.671 1.00 0.00 C ATOM 129 C VAL A 11 2.544 3.629 8.782 1.00 0.00 C ATOM 130 O VAL A 11 1.705 2.882 9.287 1.00 0.00 O ATOM 131 CB VAL A 11 2.744 5.818 9.974 1.00 0.00 C ATOM 132 CG1 VAL A 11 1.949 5.298 11.163 1.00 0.00 C ATOM 133 CG2 VAL A 11 4.237 5.620 10.194 1.00 0.00 C ATOM 0 H VAL A 11 0.315 5.579 9.210 1.00 0.00 H new ATOM 0 HA VAL A 11 2.869 5.531 7.839 1.00 0.00 H new ATOM 0 HB VAL A 11 2.553 6.887 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.285 5.797 12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.889 5.501 11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.102 4.223 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.537 6.114 11.118 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.456 4.555 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.788 6.050 9.358 1.00 0.00 H new ATOM 143 N VAL A 12 3.705 3.193 8.304 1.00 0.00 N ATOM 144 CA VAL A 12 4.068 1.781 8.345 1.00 0.00 C ATOM 145 C VAL A 12 5.510 1.596 8.813 1.00 0.00 C ATOM 146 O VAL A 12 6.453 1.918 8.091 1.00 0.00 O ATOM 147 CB VAL A 12 3.899 1.116 6.967 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.870 -0.395 7.110 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.638 1.616 6.277 1.00 0.00 C ATOM 0 H VAL A 12 4.411 3.798 7.884 1.00 0.00 H new ATOM 0 HA VAL A 12 3.394 1.303 9.056 1.00 0.00 H new ATOM 0 HB VAL A 12 4.753 1.388 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.750 -0.851 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.804 -0.736 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.035 -0.684 7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.539 1.133 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.769 1.378 6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.702 2.696 6.141 1.00 0.00 H new ATOM 159 N VAL A 13 5.672 1.073 10.025 1.00 0.00 N ATOM 160 CA VAL A 13 6.997 0.842 10.591 1.00 0.00 C ATOM 161 C VAL A 13 7.159 -0.618 11.013 1.00 0.00 C ATOM 162 O VAL A 13 6.182 -1.358 11.092 1.00 0.00 O ATOM 163 CB VAL A 13 7.255 1.765 11.803 1.00 0.00 C ATOM 164 CG1 VAL A 13 6.260 1.485 12.919 1.00 0.00 C ATOM 165 CG2 VAL A 13 8.684 1.617 12.306 1.00 0.00 C ATOM 0 H VAL A 13 4.901 0.801 10.635 1.00 0.00 H new ATOM 0 HA VAL A 13 7.728 1.072 9.816 1.00 0.00 H new ATOM 0 HB VAL A 13 7.117 2.795 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.462 2.147 13.761 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.247 1.659 12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.357 0.448 13.241 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.840 2.277 13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.858 0.585 12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.379 1.883 11.510 1.00 0.00 H new ATOM 175 N ALA A 14 8.397 -1.029 11.274 1.00 0.00 N ATOM 176 CA ALA A 14 8.688 -2.404 11.679 1.00 0.00 C ATOM 177 C ALA A 14 7.699 -2.920 12.726 1.00 0.00 C ATOM 178 O ALA A 14 7.308 -4.088 12.699 1.00 0.00 O ATOM 179 CB ALA A 14 10.108 -2.498 12.215 1.00 0.00 C ATOM 0 H ALA A 14 9.219 -0.428 11.212 1.00 0.00 H new ATOM 0 HA ALA A 14 8.585 -3.033 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.317 -3.525 12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.811 -2.197 11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.216 -1.840 13.077 1.00 0.00 H new ATOM 185 N LYS A 15 7.312 -2.052 13.655 1.00 0.00 N ATOM 186 CA LYS A 15 6.384 -2.432 14.720 1.00 0.00 C ATOM 187 C LYS A 15 4.922 -2.275 14.296 1.00 0.00 C ATOM 188 O LYS A 15 4.015 -2.673 15.027 1.00 0.00 O ATOM 189 CB LYS A 15 6.650 -1.593 15.971 1.00 0.00 C ATOM 190 CG LYS A 15 6.700 -0.098 15.701 1.00 0.00 C ATOM 191 CD LYS A 15 6.669 0.703 16.993 1.00 0.00 C ATOM 192 CE LYS A 15 8.060 0.859 17.585 1.00 0.00 C ATOM 193 NZ LYS A 15 8.275 2.221 18.148 1.00 0.00 N ATOM 0 H LYS A 15 7.625 -1.082 13.694 1.00 0.00 H new ATOM 0 HA LYS A 15 6.554 -3.487 14.937 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.871 -1.795 16.706 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.596 -1.906 16.414 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.606 0.142 15.144 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.855 0.188 15.074 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.241 1.687 16.802 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.019 0.207 17.714 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.207 0.115 18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.806 0.663 16.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.235 2.286 18.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.160 2.930 17.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.580 2.399 18.900 1.00 0.00 H new ATOM 207 N ASN A 16 4.692 -1.689 13.125 1.00 0.00 N ATOM 208 CA ASN A 16 3.333 -1.481 12.633 1.00 0.00 C ATOM 209 C ASN A 16 3.035 -2.357 11.419 1.00 0.00 C ATOM 210 O ASN A 16 2.036 -3.075 11.392 1.00 0.00 O ATOM 211 CB ASN A 16 3.121 -0.009 12.277 1.00 0.00 C ATOM 212 CG ASN A 16 1.839 0.548 12.864 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.867 1.429 13.724 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.705 0.035 12.402 1.00 0.00 N ATOM 0 H ASN A 16 5.425 -1.351 12.501 1.00 0.00 H new ATOM 0 HA ASN A 16 2.645 -1.765 13.430 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.967 0.575 12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.099 0.100 11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.189 0.370 12.760 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.728 -0.694 11.689 1.00 0.00 H new ATOM 221 N TYR A 17 3.900 -2.284 10.411 1.00 0.00 N ATOM 222 CA TYR A 17 3.720 -3.062 9.188 1.00 0.00 C ATOM 223 C TYR A 17 3.388 -4.521 9.498 1.00 0.00 C ATOM 224 O TYR A 17 2.415 -5.059 8.994 1.00 0.00 O ATOM 225 CB TYR A 17 4.973 -2.965 8.302 1.00 0.00 C ATOM 226 CG TYR A 17 5.781 -4.243 8.202 1.00 0.00 C ATOM 227 CD1 TYR A 17 5.359 -5.290 7.394 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.963 -4.397 8.912 1.00 0.00 C ATOM 229 CE1 TYR A 17 6.091 -6.457 7.297 1.00 0.00 C ATOM 230 CE2 TYR A 17 7.704 -5.560 8.820 1.00 0.00 C ATOM 231 CZ TYR A 17 7.264 -6.587 8.012 1.00 0.00 C ATOM 232 OH TYR A 17 7.998 -7.747 7.917 1.00 0.00 O ATOM 0 H TYR A 17 4.732 -1.694 10.417 1.00 0.00 H new ATOM 0 HA TYR A 17 2.875 -2.641 8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.669 -2.664 7.299 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.615 -2.175 8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.442 -5.190 6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.310 -3.595 9.547 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.747 -7.263 6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.623 -5.664 9.378 1.00 0.00 H new ATOM 0 HH TYR A 17 8.796 -7.676 8.482 1.00 0.00 H new ATOM 242 N ASN A 18 4.210 -5.155 10.322 1.00 0.00 N ATOM 243 CA ASN A 18 4.000 -6.554 10.685 1.00 0.00 C ATOM 244 C ASN A 18 2.564 -6.811 11.152 1.00 0.00 C ATOM 245 O ASN A 18 2.000 -7.876 10.898 1.00 0.00 O ATOM 246 CB ASN A 18 4.994 -6.971 11.776 1.00 0.00 C ATOM 247 CG ASN A 18 4.616 -6.454 13.155 1.00 0.00 C ATOM 248 OD1 ASN A 18 4.463 -7.230 14.098 1.00 0.00 O ATOM 249 ND2 ASN A 18 4.464 -5.140 13.280 1.00 0.00 N ATOM 0 H ASN A 18 5.029 -4.725 10.753 1.00 0.00 H new ATOM 0 HA ASN A 18 4.169 -7.156 9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.056 -8.059 11.807 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.986 -6.603 11.516 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.211 -4.740 14.183 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.600 -4.532 12.473 1.00 0.00 H new ATOM 256 N GLU A 19 1.984 -5.837 11.845 1.00 0.00 N ATOM 257 CA GLU A 19 0.624 -5.969 12.362 1.00 0.00 C ATOM 258 C GLU A 19 -0.428 -5.804 11.265 1.00 0.00 C ATOM 259 O GLU A 19 -1.236 -6.702 11.032 1.00 0.00 O ATOM 260 CB GLU A 19 0.380 -4.942 13.469 1.00 0.00 C ATOM 261 CG GLU A 19 -0.486 -5.465 14.603 1.00 0.00 C ATOM 262 CD GLU A 19 -0.404 -4.600 15.846 1.00 0.00 C ATOM 263 OE1 GLU A 19 0.603 -4.705 16.577 1.00 0.00 O ATOM 264 OE2 GLU A 19 -1.346 -3.816 16.087 1.00 0.00 O ATOM 0 H GLU A 19 2.433 -4.947 12.062 1.00 0.00 H new ATOM 0 HA GLU A 19 0.527 -6.977 12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.340 -4.622 13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.094 -4.061 13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.522 -5.518 14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.179 -6.481 14.851 1.00 0.00 H new ATOM 271 N ILE A 20 -0.426 -4.649 10.609 1.00 0.00 N ATOM 272 CA ILE A 20 -1.397 -4.363 9.553 1.00 0.00 C ATOM 273 C ILE A 20 -1.393 -5.436 8.464 1.00 0.00 C ATOM 274 O ILE A 20 -2.446 -5.913 8.044 1.00 0.00 O ATOM 275 CB ILE A 20 -1.135 -2.987 8.909 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.299 -2.905 8.376 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.398 -1.877 9.917 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.675 -1.535 7.850 1.00 0.00 C ATOM 0 H ILE A 20 0.236 -3.894 10.788 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.377 -4.357 10.031 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.817 -2.861 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.990 -3.181 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.423 -3.638 7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.210 -0.910 9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.435 -1.924 10.248 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.737 -2.001 10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.704 -1.553 7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.009 -1.264 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.584 -0.800 8.650 1.00 0.00 H new ATOM 290 N VAL A 21 -0.203 -5.802 8.009 1.00 0.00 N ATOM 291 CA VAL A 21 -0.045 -6.807 6.964 1.00 0.00 C ATOM 292 C VAL A 21 -0.530 -8.179 7.425 1.00 0.00 C ATOM 293 O VAL A 21 -1.121 -8.929 6.649 1.00 0.00 O ATOM 294 CB VAL A 21 1.428 -6.908 6.514 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.928 -5.557 6.022 1.00 0.00 C ATOM 296 CG2 VAL A 21 2.306 -7.428 7.645 1.00 0.00 C ATOM 0 H VAL A 21 0.676 -5.414 8.351 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.658 -6.488 6.121 1.00 0.00 H new ATOM 0 HB VAL A 21 1.485 -7.618 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.968 -5.646 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.321 -5.230 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.853 -4.826 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.339 -7.491 7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.245 -6.748 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.963 -8.418 7.946 1.00 0.00 H new ATOM 306 N LEU A 22 -0.276 -8.504 8.689 1.00 0.00 N ATOM 307 CA LEU A 22 -0.689 -9.790 9.242 1.00 0.00 C ATOM 308 C LEU A 22 -2.189 -9.813 9.542 1.00 0.00 C ATOM 309 O LEU A 22 -2.751 -10.866 9.846 1.00 0.00 O ATOM 310 CB LEU A 22 0.103 -10.097 10.514 1.00 0.00 C ATOM 311 CG LEU A 22 1.554 -10.527 10.285 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.277 -10.694 11.612 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.605 -11.818 9.482 1.00 0.00 C ATOM 0 H LEU A 22 0.212 -7.897 9.348 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.482 -10.556 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.098 -9.211 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.412 -10.886 11.063 1.00 0.00 H new ATOM 0 HG LEU A 22 2.059 -9.747 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.307 -11.000 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.270 -9.747 12.152 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.773 -11.455 12.208 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.644 -12.110 9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.084 -12.606 10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.124 -11.665 8.516 1.00 0.00 H new ATOM 325 N ASP A 23 -2.833 -8.651 9.458 1.00 0.00 N ATOM 326 CA ASP A 23 -4.263 -8.549 9.723 1.00 0.00 C ATOM 327 C ASP A 23 -5.074 -9.229 8.624 1.00 0.00 C ATOM 328 O ASP A 23 -5.237 -8.685 7.532 1.00 0.00 O ATOM 329 CB ASP A 23 -4.677 -7.081 9.843 1.00 0.00 C ATOM 330 CG ASP A 23 -5.748 -6.866 10.893 1.00 0.00 C ATOM 331 OD1 ASP A 23 -6.828 -7.482 10.775 1.00 0.00 O ATOM 332 OD2 ASP A 23 -5.507 -6.082 11.835 1.00 0.00 O ATOM 0 H ASP A 23 -2.386 -7.769 9.209 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.468 -9.057 10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.803 -6.479 10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.042 -6.729 8.878 1.00 0.00 H new ATOM 337 N ASP A 24 -5.582 -10.420 8.923 1.00 0.00 N ATOM 338 CA ASP A 24 -6.379 -11.177 7.964 1.00 0.00 C ATOM 339 C ASP A 24 -7.814 -10.657 7.899 1.00 0.00 C ATOM 340 O ASP A 24 -8.571 -11.015 6.997 1.00 0.00 O ATOM 341 CB ASP A 24 -6.380 -12.661 8.332 1.00 0.00 C ATOM 342 CG ASP A 24 -6.822 -12.901 9.763 1.00 0.00 C ATOM 343 OD1 ASP A 24 -7.994 -12.607 10.079 1.00 0.00 O ATOM 344 OD2 ASP A 24 -5.996 -13.384 10.566 1.00 0.00 O ATOM 0 H ASP A 24 -5.456 -10.883 9.823 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.927 -11.049 6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.042 -13.200 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.379 -13.068 8.190 1.00 0.00 H new ATOM 349 N THR A 25 -8.188 -9.815 8.861 1.00 0.00 N ATOM 350 CA THR A 25 -9.536 -9.257 8.903 1.00 0.00 C ATOM 351 C THR A 25 -9.594 -7.892 8.220 1.00 0.00 C ATOM 352 O THR A 25 -10.518 -7.112 8.453 1.00 0.00 O ATOM 353 CB THR A 25 -10.012 -9.133 10.352 1.00 0.00 C ATOM 354 OG1 THR A 25 -9.372 -8.047 10.998 1.00 0.00 O ATOM 355 CG2 THR A 25 -9.751 -10.375 11.176 1.00 0.00 C ATOM 0 H THR A 25 -7.578 -9.506 9.618 1.00 0.00 H new ATOM 0 HA THR A 25 -10.195 -9.937 8.363 1.00 0.00 H new ATOM 0 HB THR A 25 -11.089 -8.977 10.290 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.495 -7.893 10.588 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.113 -10.220 12.193 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.272 -11.223 10.731 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.680 -10.578 11.199 1.00 0.00 H new ATOM 363 N LYS A 26 -8.606 -7.607 7.375 1.00 0.00 N ATOM 364 CA LYS A 26 -8.556 -6.335 6.662 1.00 0.00 C ATOM 365 C LYS A 26 -7.419 -6.326 5.644 1.00 0.00 C ATOM 366 O LYS A 26 -6.346 -6.878 5.892 1.00 0.00 O ATOM 367 CB LYS A 26 -8.384 -5.179 7.651 1.00 0.00 C ATOM 368 CG LYS A 26 -9.503 -4.152 7.585 1.00 0.00 C ATOM 369 CD LYS A 26 -9.526 -3.273 8.825 1.00 0.00 C ATOM 370 CE LYS A 26 -10.602 -3.717 9.803 1.00 0.00 C ATOM 371 NZ LYS A 26 -10.649 -2.847 11.011 1.00 0.00 N ATOM 0 H LYS A 26 -7.832 -8.238 7.168 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.497 -6.208 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.331 -5.582 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.434 -4.682 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.376 -3.530 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.461 -4.662 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.552 -3.306 9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.702 -2.237 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.572 -3.701 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.415 -4.747 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.395 -3.183 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.731 -2.881 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.853 -1.868 10.726 1.00 0.00 H new ATOM 385 N ASP A 27 -7.661 -5.696 4.500 1.00 0.00 N ATOM 386 CA ASP A 27 -6.656 -5.614 3.446 1.00 0.00 C ATOM 387 C ASP A 27 -5.694 -4.458 3.702 1.00 0.00 C ATOM 388 O ASP A 27 -6.104 -3.382 4.137 1.00 0.00 O ATOM 389 CB ASP A 27 -7.330 -5.444 2.081 1.00 0.00 C ATOM 390 CG ASP A 27 -7.231 -6.695 1.230 1.00 0.00 C ATOM 391 OD1 ASP A 27 -7.480 -7.797 1.763 1.00 0.00 O ATOM 392 OD2 ASP A 27 -6.904 -6.573 0.031 1.00 0.00 O ATOM 0 H ASP A 27 -8.543 -5.235 4.279 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.086 -6.543 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.380 -5.188 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.869 -4.610 1.552 1.00 0.00 H new ATOM 397 N VAL A 28 -4.414 -4.689 3.432 1.00 0.00 N ATOM 398 CA VAL A 28 -3.395 -3.668 3.636 1.00 0.00 C ATOM 399 C VAL A 28 -2.468 -3.567 2.430 1.00 0.00 C ATOM 400 O VAL A 28 -2.057 -4.580 1.863 1.00 0.00 O ATOM 401 CB VAL A 28 -2.554 -3.957 4.893 1.00 0.00 C ATOM 402 CG1 VAL A 28 -1.669 -2.767 5.229 1.00 0.00 C ATOM 403 CG2 VAL A 28 -3.454 -4.310 6.067 1.00 0.00 C ATOM 0 H VAL A 28 -4.058 -5.574 3.071 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.919 -2.721 3.768 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.910 -4.812 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.082 -2.990 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.998 -2.565 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.291 -1.892 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.843 -4.511 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.125 -3.477 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.040 -5.196 5.823 1.00 0.00 H new ATOM 413 N LEU A 29 -2.144 -2.338 2.040 1.00 0.00 N ATOM 414 CA LEU A 29 -1.267 -2.106 0.897 1.00 0.00 C ATOM 415 C LEU A 29 -0.154 -1.127 1.256 1.00 0.00 C ATOM 416 O LEU A 29 -0.384 0.078 1.355 1.00 0.00 O ATOM 417 CB LEU A 29 -2.068 -1.570 -0.294 1.00 0.00 C ATOM 418 CG LEU A 29 -3.547 -1.967 -0.321 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.326 -1.059 -1.259 1.00 0.00 C ATOM 420 CD2 LEU A 29 -3.700 -3.423 -0.733 1.00 0.00 C ATOM 0 H LEU A 29 -2.475 -1.489 2.498 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.816 -3.059 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.001 -0.482 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.598 -1.920 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.954 -1.851 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.375 -1.356 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.243 -0.027 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.919 -1.142 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.757 -3.688 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.277 -3.566 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.176 -4.060 -0.020 1.00 0.00 H new ATOM 432 N ILE A 30 1.053 -1.649 1.448 1.00 0.00 N ATOM 433 CA ILE A 30 2.199 -0.815 1.795 1.00 0.00 C ATOM 434 C ILE A 30 3.130 -0.641 0.600 1.00 0.00 C ATOM 435 O ILE A 30 3.508 -1.615 -0.050 1.00 0.00 O ATOM 436 CB ILE A 30 2.994 -1.412 2.976 1.00 0.00 C ATOM 437 CG1 ILE A 30 4.170 -0.501 3.345 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.484 -2.813 2.632 1.00 0.00 C ATOM 439 CD1 ILE A 30 5.089 -1.088 4.396 1.00 0.00 C ATOM 0 H ILE A 30 1.263 -2.644 1.369 1.00 0.00 H new ATOM 0 HA ILE A 30 1.807 0.158 2.091 1.00 0.00 H new ATOM 0 HB ILE A 30 2.333 -1.483 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.749 -0.289 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.781 0.451 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.043 -3.220 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.629 -3.455 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.131 -2.767 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.897 -0.387 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.525 -1.275 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.508 -2.026 4.030 1.00 0.00 H new ATOM 451 N GLU A 31 3.497 0.605 0.314 1.00 0.00 N ATOM 452 CA GLU A 31 4.384 0.897 -0.807 1.00 0.00 C ATOM 453 C GLU A 31 5.635 1.640 -0.345 1.00 0.00 C ATOM 454 O GLU A 31 5.554 2.750 0.180 1.00 0.00 O ATOM 455 CB GLU A 31 3.649 1.724 -1.865 1.00 0.00 C ATOM 456 CG GLU A 31 4.296 1.664 -3.239 1.00 0.00 C ATOM 457 CD GLU A 31 5.473 2.610 -3.371 1.00 0.00 C ATOM 458 OE1 GLU A 31 5.373 3.755 -2.881 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.496 2.206 -3.963 1.00 0.00 O ATOM 0 H GLU A 31 3.195 1.425 0.840 1.00 0.00 H new ATOM 0 HA GLU A 31 4.693 -0.053 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.621 1.371 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.606 2.763 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.630 0.645 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.552 1.907 -3.998 1.00 0.00 H new ATOM 466 N PHE A 32 6.793 1.019 -0.552 1.00 0.00 N ATOM 467 CA PHE A 32 8.066 1.618 -0.167 1.00 0.00 C ATOM 468 C PHE A 32 8.614 2.488 -1.295 1.00 0.00 C ATOM 469 O PHE A 32 8.766 2.027 -2.426 1.00 0.00 O ATOM 470 CB PHE A 32 9.082 0.528 0.186 1.00 0.00 C ATOM 471 CG PHE A 32 8.890 -0.053 1.558 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.193 0.689 2.689 1.00 0.00 C ATOM 473 CD2 PHE A 32 8.408 -1.343 1.717 1.00 0.00 C ATOM 474 CE1 PHE A 32 9.018 0.156 3.951 1.00 0.00 C ATOM 475 CE2 PHE A 32 8.232 -1.881 2.977 1.00 0.00 C ATOM 476 CZ PHE A 32 8.537 -1.131 4.096 1.00 0.00 C ATOM 0 H PHE A 32 6.875 0.099 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 32 7.896 2.244 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.014 -0.272 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.087 0.943 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.570 1.695 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.167 -1.934 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.257 0.745 4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.856 -2.887 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.400 -1.550 5.082 1.00 0.00 H new ATOM 486 N TYR A 33 8.906 3.746 -0.982 1.00 0.00 N ATOM 487 CA TYR A 33 9.434 4.674 -1.976 1.00 0.00 C ATOM 488 C TYR A 33 10.468 5.612 -1.359 1.00 0.00 C ATOM 489 O TYR A 33 10.561 5.734 -0.138 1.00 0.00 O ATOM 490 CB TYR A 33 8.296 5.486 -2.601 1.00 0.00 C ATOM 491 CG TYR A 33 7.687 6.506 -1.663 1.00 0.00 C ATOM 492 CD1 TYR A 33 6.733 6.134 -0.725 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.070 7.840 -1.717 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.176 7.064 0.133 1.00 0.00 C ATOM 495 CE2 TYR A 33 7.518 8.776 -0.862 1.00 0.00 C ATOM 496 CZ TYR A 33 6.572 8.382 0.061 1.00 0.00 C ATOM 497 OH TYR A 33 6.021 9.311 0.914 1.00 0.00 O ATOM 0 H TYR A 33 8.787 4.146 -0.051 1.00 0.00 H new ATOM 0 HA TYR A 33 9.925 4.090 -2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.672 5.999 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.516 4.803 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.421 5.102 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.811 8.151 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.434 6.759 0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.826 9.810 -0.917 1.00 0.00 H new ATOM 0 HH TYR A 33 6.409 10.192 0.733 1.00 0.00 H new ATOM 507 N ALA A 34 11.241 6.274 -2.213 1.00 0.00 N ATOM 508 CA ALA A 34 12.266 7.204 -1.755 1.00 0.00 C ATOM 509 C ALA A 34 12.299 8.454 -2.631 1.00 0.00 C ATOM 510 O ALA A 34 12.008 8.393 -3.826 1.00 0.00 O ATOM 511 CB ALA A 34 13.628 6.526 -1.745 1.00 0.00 C ATOM 0 H ALA A 34 11.177 6.184 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 34 12.019 7.510 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.384 7.232 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.602 5.667 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.876 6.192 -2.753 1.00 0.00 H new ATOM 517 N PRO A 35 12.654 9.612 -2.046 1.00 0.00 N ATOM 518 CA PRO A 35 12.721 10.879 -2.782 1.00 0.00 C ATOM 519 C PRO A 35 13.859 10.903 -3.797 1.00 0.00 C ATOM 520 O PRO A 35 13.716 11.447 -4.892 1.00 0.00 O ATOM 521 CB PRO A 35 12.963 11.918 -1.684 1.00 0.00 C ATOM 522 CG PRO A 35 13.608 11.158 -0.578 1.00 0.00 C ATOM 523 CD PRO A 35 13.016 9.777 -0.626 1.00 0.00 C ATOM 0 HA PRO A 35 11.817 11.057 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.605 12.725 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.028 12.374 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.690 11.124 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.416 11.632 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.732 9.021 -0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.145 9.690 0.024 1.00 0.00 H new ATOM 531 N TRP A 36 14.989 10.310 -3.426 1.00 0.00 N ATOM 532 CA TRP A 36 16.153 10.263 -4.306 1.00 0.00 C ATOM 533 C TRP A 36 16.004 9.179 -5.374 1.00 0.00 C ATOM 534 O TRP A 36 16.862 9.035 -6.245 1.00 0.00 O ATOM 535 CB TRP A 36 17.425 10.017 -3.492 1.00 0.00 C ATOM 536 CG TRP A 36 17.302 8.881 -2.523 1.00 0.00 C ATOM 537 CD1 TRP A 36 16.734 7.661 -2.756 1.00 0.00 C ATOM 538 CD2 TRP A 36 17.757 8.858 -1.165 1.00 0.00 C ATOM 539 NE1 TRP A 36 16.808 6.882 -1.627 1.00 0.00 N ATOM 540 CE2 TRP A 36 17.432 7.595 -0.637 1.00 0.00 C ATOM 541 CE3 TRP A 36 18.410 9.784 -0.346 1.00 0.00 C ATOM 542 CZ2 TRP A 36 17.737 7.235 0.674 1.00 0.00 C ATOM 543 CZ3 TRP A 36 18.711 9.425 0.955 1.00 0.00 C ATOM 544 CH2 TRP A 36 18.375 8.160 1.453 1.00 0.00 C ATOM 0 H TRP A 36 15.124 9.855 -2.523 1.00 0.00 H new ATOM 0 HA TRP A 36 16.226 11.228 -4.808 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.251 9.815 -4.174 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.679 10.925 -2.945 1.00 0.00 H new ATOM 0 HD1 TRP A 36 16.291 7.353 -3.692 1.00 0.00 H new ATOM 0 HE1 TRP A 36 16.456 5.929 -1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 36 18.674 10.761 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 17.479 6.260 1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 19.214 10.132 1.598 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.625 7.910 2.473 1.00 0.00 H new ATOM 555 N CYS A 37 14.914 8.418 -5.304 1.00 0.00 N ATOM 556 CA CYS A 37 14.661 7.349 -6.266 1.00 0.00 C ATOM 557 C CYS A 37 14.756 7.861 -7.700 1.00 0.00 C ATOM 558 O CYS A 37 15.381 7.232 -8.554 1.00 0.00 O ATOM 559 CB CYS A 37 13.275 6.742 -6.028 1.00 0.00 C ATOM 560 SG CYS A 37 12.815 5.442 -7.223 1.00 0.00 S ATOM 0 H CYS A 37 14.192 8.522 -4.591 1.00 0.00 H new ATOM 0 HA CYS A 37 15.424 6.584 -6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.241 6.324 -5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.530 7.537 -6.068 1.00 0.00 H new ATOM 565 N GLY A 38 14.120 8.997 -7.960 1.00 0.00 N ATOM 566 CA GLY A 38 14.130 9.564 -9.295 1.00 0.00 C ATOM 567 C GLY A 38 12.883 9.192 -10.070 1.00 0.00 C ATOM 568 O GLY A 38 12.348 9.999 -10.831 1.00 0.00 O ATOM 0 H GLY A 38 13.597 9.536 -7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.207 10.649 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.011 9.214 -9.833 1.00 0.00 H new ATOM 572 N HIS A 39 12.416 7.965 -9.865 1.00 0.00 N ATOM 573 CA HIS A 39 11.217 7.473 -10.533 1.00 0.00 C ATOM 574 C HIS A 39 10.111 7.173 -9.520 1.00 0.00 C ATOM 575 O HIS A 39 8.980 6.866 -9.897 1.00 0.00 O ATOM 576 CB HIS A 39 11.541 6.216 -11.342 1.00 0.00 C ATOM 577 CG HIS A 39 12.355 6.489 -12.568 1.00 0.00 C ATOM 578 ND1 HIS A 39 13.656 6.057 -12.721 1.00 0.00 N ATOM 579 CD2 HIS A 39 12.048 7.158 -13.705 1.00 0.00 C ATOM 580 CE1 HIS A 39 14.113 6.449 -13.897 1.00 0.00 C ATOM 581 NE2 HIS A 39 13.157 7.118 -14.513 1.00 0.00 N ATOM 0 H HIS A 39 12.853 7.290 -9.238 1.00 0.00 H new ATOM 0 HA HIS A 39 10.862 8.251 -11.209 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.080 5.513 -10.707 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.609 5.731 -11.634 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.106 7.634 -13.933 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.101 6.255 -14.288 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.230 7.538 -15.440 1.00 0.00 H new ATOM 590 N CYS A 40 10.443 7.269 -8.233 1.00 0.00 N ATOM 591 CA CYS A 40 9.476 7.014 -7.171 1.00 0.00 C ATOM 592 C CYS A 40 8.889 8.319 -6.643 1.00 0.00 C ATOM 593 O CYS A 40 7.820 8.327 -6.033 1.00 0.00 O ATOM 594 CB CYS A 40 10.133 6.243 -6.024 1.00 0.00 C ATOM 595 SG CYS A 40 11.030 4.746 -6.546 1.00 0.00 S ATOM 0 H CYS A 40 11.374 7.522 -7.903 1.00 0.00 H new ATOM 0 HA CYS A 40 8.669 6.413 -7.590 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.826 6.906 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.365 5.960 -5.305 1.00 0.00 H new ATOM 600 N LYS A 41 9.595 9.423 -6.880 1.00 0.00 N ATOM 601 CA LYS A 41 9.143 10.735 -6.430 1.00 0.00 C ATOM 602 C LYS A 41 7.688 10.977 -6.826 1.00 0.00 C ATOM 603 O LYS A 41 6.964 11.710 -6.152 1.00 0.00 O ATOM 604 CB LYS A 41 10.037 11.828 -7.017 1.00 0.00 C ATOM 605 CG LYS A 41 10.252 13.008 -6.082 1.00 0.00 C ATOM 606 CD LYS A 41 9.646 14.285 -6.643 1.00 0.00 C ATOM 607 CE LYS A 41 10.002 15.491 -5.789 1.00 0.00 C ATOM 608 NZ LYS A 41 8.922 16.516 -5.800 1.00 0.00 N ATOM 0 H LYS A 41 10.483 9.433 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 41 9.210 10.765 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.005 11.396 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.594 12.188 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.807 12.789 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.320 13.153 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.002 14.441 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.562 14.182 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.186 15.169 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.928 15.935 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.203 17.322 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.763 16.842 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.045 16.100 -5.427 1.00 0.00 H new ATOM 622 N ALA A 42 7.266 10.348 -7.919 1.00 0.00 N ATOM 623 CA ALA A 42 5.898 10.486 -8.401 1.00 0.00 C ATOM 624 C ALA A 42 4.966 9.525 -7.669 1.00 0.00 C ATOM 625 O ALA A 42 3.770 9.782 -7.538 1.00 0.00 O ATOM 626 CB ALA A 42 5.839 10.243 -9.901 1.00 0.00 C ATOM 0 H ALA A 42 7.853 9.738 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 42 5.565 11.504 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.811 10.349 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.471 10.969 -10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.193 9.236 -10.121 1.00 0.00 H new ATOM 632 N LEU A 43 5.526 8.418 -7.191 1.00 0.00 N ATOM 633 CA LEU A 43 4.750 7.418 -6.468 1.00 0.00 C ATOM 634 C LEU A 43 4.117 8.024 -5.218 1.00 0.00 C ATOM 635 O LEU A 43 3.038 7.610 -4.794 1.00 0.00 O ATOM 636 CB LEU A 43 5.643 6.234 -6.083 1.00 0.00 C ATOM 637 CG LEU A 43 5.120 4.860 -6.507 1.00 0.00 C ATOM 638 CD1 LEU A 43 3.761 4.589 -5.880 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.042 4.764 -8.025 1.00 0.00 C ATOM 0 H LEU A 43 6.515 8.191 -7.292 1.00 0.00 H new ATOM 0 HA LEU A 43 3.952 7.065 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.628 6.383 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.776 6.237 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 43 5.817 4.101 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.405 3.607 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.850 4.613 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.053 5.352 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.668 3.780 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.367 5.532 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.035 4.911 -8.450 1.00 0.00 H new ATOM 651 N ALA A 44 4.797 9.005 -4.633 1.00 0.00 N ATOM 652 CA ALA A 44 4.304 9.669 -3.433 1.00 0.00 C ATOM 653 C ALA A 44 2.990 10.400 -3.702 1.00 0.00 C ATOM 654 O ALA A 44 1.959 10.071 -3.117 1.00 0.00 O ATOM 655 CB ALA A 44 5.351 10.635 -2.897 1.00 0.00 C ATOM 0 H ALA A 44 5.692 9.358 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 44 4.111 8.904 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.970 11.124 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.261 10.087 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.574 11.387 -3.654 1.00 0.00 H new ATOM 661 N PRO A 45 3.008 11.408 -4.594 1.00 0.00 N ATOM 662 CA PRO A 45 1.808 12.182 -4.931 1.00 0.00 C ATOM 663 C PRO A 45 0.698 11.306 -5.501 1.00 0.00 C ATOM 664 O PRO A 45 -0.486 11.585 -5.309 1.00 0.00 O ATOM 665 CB PRO A 45 2.298 13.183 -5.986 1.00 0.00 C ATOM 666 CG PRO A 45 3.584 12.625 -6.491 1.00 0.00 C ATOM 667 CD PRO A 45 4.189 11.873 -5.341 1.00 0.00 C ATOM 0 HA PRO A 45 1.375 12.658 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.573 13.291 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.442 14.173 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.416 11.966 -7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.248 13.420 -6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.805 11.041 -5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.827 12.513 -4.731 1.00 0.00 H new ATOM 675 N LYS A 46 1.086 10.245 -6.200 1.00 0.00 N ATOM 676 CA LYS A 46 0.119 9.329 -6.794 1.00 0.00 C ATOM 677 C LYS A 46 -0.577 8.504 -5.716 1.00 0.00 C ATOM 678 O LYS A 46 -1.728 8.097 -5.878 1.00 0.00 O ATOM 679 CB LYS A 46 0.812 8.405 -7.799 1.00 0.00 C ATOM 680 CG LYS A 46 0.149 8.387 -9.166 1.00 0.00 C ATOM 681 CD LYS A 46 0.580 9.577 -10.010 1.00 0.00 C ATOM 682 CE LYS A 46 -0.414 10.723 -9.909 1.00 0.00 C ATOM 683 NZ LYS A 46 0.142 11.876 -9.148 1.00 0.00 N ATOM 0 H LYS A 46 2.061 9.998 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.634 9.919 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.850 8.718 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.827 7.392 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.404 7.462 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.934 8.398 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.563 9.917 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.677 9.269 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.694 11.050 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.324 10.372 -9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.638 12.449 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.729 11.524 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.724 12.461 -9.781 1.00 0.00 H new ATOM 697 N TYR A 47 0.126 8.265 -4.613 1.00 0.00 N ATOM 698 CA TYR A 47 -0.428 7.493 -3.507 1.00 0.00 C ATOM 699 C TYR A 47 -1.321 8.365 -2.631 1.00 0.00 C ATOM 700 O TYR A 47 -2.231 7.868 -1.968 1.00 0.00 O ATOM 701 CB TYR A 47 0.697 6.879 -2.670 1.00 0.00 C ATOM 702 CG TYR A 47 0.630 5.371 -2.582 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.199 4.572 -3.566 1.00 0.00 C ATOM 704 CD2 TYR A 47 -0.003 4.746 -1.515 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.138 3.193 -3.489 1.00 0.00 C ATOM 706 CE2 TYR A 47 -0.068 3.368 -1.431 1.00 0.00 C ATOM 707 CZ TYR A 47 0.504 2.596 -2.420 1.00 0.00 C ATOM 708 OH TYR A 47 0.440 1.224 -2.340 1.00 0.00 O ATOM 0 H TYR A 47 1.079 8.595 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.035 6.689 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.657 7.168 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.659 7.296 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.697 5.036 -4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.452 5.347 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.585 2.586 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.564 2.898 -0.595 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.039 0.966 -1.525 1.00 0.00 H new ATOM 718 N GLU A 48 -1.059 9.669 -2.635 1.00 0.00 N ATOM 719 CA GLU A 48 -1.845 10.607 -1.844 1.00 0.00 C ATOM 720 C GLU A 48 -3.238 10.774 -2.441 1.00 0.00 C ATOM 721 O GLU A 48 -4.229 10.869 -1.716 1.00 0.00 O ATOM 722 CB GLU A 48 -1.141 11.963 -1.771 1.00 0.00 C ATOM 723 CG GLU A 48 -1.683 12.872 -0.680 1.00 0.00 C ATOM 724 CD GLU A 48 -1.109 14.274 -0.751 1.00 0.00 C ATOM 725 OE1 GLU A 48 0.048 14.464 -0.321 1.00 0.00 O ATOM 726 OE2 GLU A 48 -1.817 15.182 -1.235 1.00 0.00 O ATOM 0 H GLU A 48 -0.309 10.098 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.943 10.206 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.076 11.802 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.239 12.466 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.769 12.923 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.456 12.439 0.294 1.00 0.00 H new ATOM 733 N GLU A 49 -3.306 10.803 -3.768 1.00 0.00 N ATOM 734 CA GLU A 49 -4.577 10.952 -4.465 1.00 0.00 C ATOM 735 C GLU A 49 -5.424 9.692 -4.318 1.00 0.00 C ATOM 736 O GLU A 49 -6.594 9.760 -3.941 1.00 0.00 O ATOM 737 CB GLU A 49 -4.340 11.253 -5.947 1.00 0.00 C ATOM 738 CG GLU A 49 -5.425 12.113 -6.574 1.00 0.00 C ATOM 739 CD GLU A 49 -4.909 12.958 -7.722 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.247 13.983 -7.454 1.00 0.00 O ATOM 741 OE2 GLU A 49 -5.167 12.595 -8.889 1.00 0.00 O ATOM 0 H GLU A 49 -2.495 10.725 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.115 11.787 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.380 11.756 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.272 10.313 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.230 11.471 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.853 12.764 -5.812 1.00 0.00 H new ATOM 748 N LEU A 50 -4.824 8.543 -4.613 1.00 0.00 N ATOM 749 CA LEU A 50 -5.524 7.267 -4.508 1.00 0.00 C ATOM 750 C LEU A 50 -5.992 7.027 -3.075 1.00 0.00 C ATOM 751 O LEU A 50 -7.057 6.452 -2.848 1.00 0.00 O ATOM 752 CB LEU A 50 -4.615 6.122 -4.968 1.00 0.00 C ATOM 753 CG LEU A 50 -5.102 4.715 -4.612 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.382 4.386 -5.366 1.00 0.00 C ATOM 755 CD2 LEU A 50 -4.023 3.684 -4.912 1.00 0.00 C ATOM 0 H LEU A 50 -3.856 8.469 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.400 7.301 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.499 6.185 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.627 6.267 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.316 4.685 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.713 3.382 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.156 5.106 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.195 4.434 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.387 2.690 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.776 3.714 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.132 3.908 -4.325 1.00 0.00 H new ATOM 767 N GLY A 51 -5.191 7.472 -2.113 1.00 0.00 N ATOM 768 CA GLY A 51 -5.542 7.297 -0.717 1.00 0.00 C ATOM 769 C GLY A 51 -6.801 8.052 -0.341 1.00 0.00 C ATOM 770 O GLY A 51 -7.627 7.555 0.425 1.00 0.00 O ATOM 0 H GLY A 51 -4.305 7.951 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.682 6.236 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.717 7.637 -0.092 1.00 0.00 H new ATOM 774 N ALA A 52 -6.949 9.257 -0.884 1.00 0.00 N ATOM 775 CA ALA A 52 -8.117 10.083 -0.604 1.00 0.00 C ATOM 776 C ALA A 52 -9.366 9.499 -1.255 1.00 0.00 C ATOM 777 O ALA A 52 -10.451 9.527 -0.674 1.00 0.00 O ATOM 778 CB ALA A 52 -7.883 11.507 -1.086 1.00 0.00 C ATOM 0 H ALA A 52 -6.274 9.682 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.274 10.099 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.763 12.113 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.018 11.927 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.700 11.502 -2.160 1.00 0.00 H new ATOM 784 N LEU A 53 -9.204 8.970 -2.463 1.00 0.00 N ATOM 785 CA LEU A 53 -10.319 8.377 -3.193 1.00 0.00 C ATOM 786 C LEU A 53 -10.725 7.044 -2.570 1.00 0.00 C ATOM 787 O LEU A 53 -11.893 6.829 -2.248 1.00 0.00 O ATOM 788 CB LEU A 53 -9.944 8.179 -4.665 1.00 0.00 C ATOM 789 CG LEU A 53 -10.763 9.006 -5.657 1.00 0.00 C ATOM 790 CD1 LEU A 53 -10.165 10.396 -5.813 1.00 0.00 C ATOM 791 CD2 LEU A 53 -10.838 8.301 -7.003 1.00 0.00 C ATOM 0 H LEU A 53 -8.312 8.940 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.168 9.058 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.890 8.426 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.057 7.124 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.776 9.110 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.760 10.971 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.163 10.902 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.142 10.313 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.424 8.903 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.832 8.167 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.312 7.327 -6.878 1.00 0.00 H new ATOM 803 N TYR A 54 -9.751 6.155 -2.402 1.00 0.00 N ATOM 804 CA TYR A 54 -10.006 4.844 -1.815 1.00 0.00 C ATOM 805 C TYR A 54 -10.587 4.983 -0.411 1.00 0.00 C ATOM 806 O TYR A 54 -11.347 4.128 0.044 1.00 0.00 O ATOM 807 CB TYR A 54 -8.715 4.024 -1.768 1.00 0.00 C ATOM 808 CG TYR A 54 -8.901 2.577 -2.166 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.816 1.766 -1.506 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.161 2.021 -3.202 1.00 0.00 C ATOM 811 CE1 TYR A 54 -9.988 0.444 -1.867 1.00 0.00 C ATOM 812 CE2 TYR A 54 -8.327 0.700 -3.569 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.241 -0.085 -2.899 1.00 0.00 C ATOM 814 OH TYR A 54 -9.410 -1.401 -3.261 1.00 0.00 O ATOM 0 H TYR A 54 -8.779 6.318 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.733 4.326 -2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.979 4.482 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.305 4.065 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.403 2.176 -0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.444 2.632 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.704 -0.173 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.744 0.284 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.809 -1.615 -4.005 1.00 0.00 H new ATOM 824 N ALA A 55 -10.225 6.066 0.269 1.00 0.00 N ATOM 825 CA ALA A 55 -10.711 6.320 1.620 1.00 0.00 C ATOM 826 C ALA A 55 -12.099 6.953 1.595 1.00 0.00 C ATOM 827 O ALA A 55 -12.878 6.800 2.536 1.00 0.00 O ATOM 828 CB ALA A 55 -9.735 7.213 2.372 1.00 0.00 C ATOM 0 H ALA A 55 -9.596 6.782 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.786 5.364 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.110 7.395 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.763 6.722 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.632 8.162 1.847 1.00 0.00 H new ATOM 834 N LYS A 56 -12.404 7.662 0.512 1.00 0.00 N ATOM 835 CA LYS A 56 -13.699 8.316 0.366 1.00 0.00 C ATOM 836 C LYS A 56 -14.648 7.460 -0.468 1.00 0.00 C ATOM 837 O LYS A 56 -15.493 7.982 -1.196 1.00 0.00 O ATOM 838 CB LYS A 56 -13.529 9.691 -0.283 1.00 0.00 C ATOM 839 CG LYS A 56 -13.297 10.812 0.718 1.00 0.00 C ATOM 840 CD LYS A 56 -14.359 11.894 0.605 1.00 0.00 C ATOM 841 CE LYS A 56 -14.387 12.779 1.841 1.00 0.00 C ATOM 842 NZ LYS A 56 -15.453 12.367 2.795 1.00 0.00 N ATOM 0 H LYS A 56 -11.772 7.798 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.130 8.442 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.689 9.655 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.418 9.918 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.299 10.404 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.312 11.250 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.165 12.505 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.336 11.433 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.418 12.738 2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.548 13.815 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.439 12.995 3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.380 12.431 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.286 11.387 3.100 1.00 0.00 H new ATOM 856 N SER A 57 -14.502 6.144 -0.356 1.00 0.00 N ATOM 857 CA SER A 57 -15.344 5.213 -1.098 1.00 0.00 C ATOM 858 C SER A 57 -16.098 4.291 -0.147 1.00 0.00 C ATOM 859 O SER A 57 -16.045 4.462 1.071 1.00 0.00 O ATOM 860 CB SER A 57 -14.497 4.386 -2.066 1.00 0.00 C ATOM 861 OG SER A 57 -15.186 4.160 -3.283 1.00 0.00 O ATOM 0 H SER A 57 -13.807 5.698 0.243 1.00 0.00 H new ATOM 0 HA SER A 57 -16.070 5.792 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.559 4.904 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.242 3.431 -1.606 1.00 0.00 H new ATOM 0 HG SER A 57 -14.622 3.631 -3.885 1.00 0.00 H new ATOM 867 N GLU A 58 -16.799 3.311 -0.709 1.00 0.00 N ATOM 868 CA GLU A 58 -17.563 2.362 0.093 1.00 0.00 C ATOM 869 C GLU A 58 -16.733 1.122 0.422 1.00 0.00 C ATOM 870 O GLU A 58 -17.281 0.059 0.713 1.00 0.00 O ATOM 871 CB GLU A 58 -18.841 1.954 -0.644 1.00 0.00 C ATOM 872 CG GLU A 58 -20.077 1.943 0.241 1.00 0.00 C ATOM 873 CD GLU A 58 -20.487 0.542 0.652 1.00 0.00 C ATOM 874 OE1 GLU A 58 -19.715 -0.112 1.384 1.00 0.00 O ATOM 875 OE2 GLU A 58 -21.580 0.099 0.241 1.00 0.00 O ATOM 0 H GLU A 58 -16.854 3.154 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.829 2.852 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.006 2.640 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.702 0.961 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.885 2.538 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.903 2.419 -0.288 1.00 0.00 H new ATOM 882 N PHE A 59 -15.411 1.264 0.377 1.00 0.00 N ATOM 883 CA PHE A 59 -14.513 0.154 0.673 1.00 0.00 C ATOM 884 C PHE A 59 -13.329 0.623 1.514 1.00 0.00 C ATOM 885 O PHE A 59 -12.242 0.049 1.446 1.00 0.00 O ATOM 886 CB PHE A 59 -14.011 -0.483 -0.623 1.00 0.00 C ATOM 887 CG PHE A 59 -15.103 -0.764 -1.616 1.00 0.00 C ATOM 888 CD1 PHE A 59 -15.466 0.189 -2.554 1.00 0.00 C ATOM 889 CD2 PHE A 59 -15.766 -1.980 -1.611 1.00 0.00 C ATOM 890 CE1 PHE A 59 -16.470 -0.067 -3.469 1.00 0.00 C ATOM 891 CE2 PHE A 59 -16.771 -2.242 -2.523 1.00 0.00 C ATOM 892 CZ PHE A 59 -17.124 -1.284 -3.453 1.00 0.00 C ATOM 0 H PHE A 59 -14.939 2.136 0.139 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.070 -0.590 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.275 0.177 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.498 -1.415 -0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.959 1.142 -2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.494 -2.733 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.743 0.684 -4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.280 -3.195 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.910 -1.486 -4.166 1.00 0.00 H new ATOM 902 N LYS A 60 -13.547 1.670 2.304 1.00 0.00 N ATOM 903 CA LYS A 60 -12.497 2.215 3.157 1.00 0.00 C ATOM 904 C LYS A 60 -12.121 1.227 4.255 1.00 0.00 C ATOM 905 O LYS A 60 -10.960 1.143 4.657 1.00 0.00 O ATOM 906 CB LYS A 60 -12.951 3.538 3.778 1.00 0.00 C ATOM 907 CG LYS A 60 -14.347 3.481 4.379 1.00 0.00 C ATOM 908 CD LYS A 60 -14.351 3.939 5.829 1.00 0.00 C ATOM 909 CE LYS A 60 -15.590 4.760 6.149 1.00 0.00 C ATOM 910 NZ LYS A 60 -16.844 4.008 5.866 1.00 0.00 N ATOM 0 H LYS A 60 -14.441 2.157 2.371 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.618 2.395 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.242 3.828 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.924 4.316 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.021 4.110 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.729 2.462 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.309 3.071 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.458 4.533 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.571 5.052 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.578 5.679 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.655 4.522 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.968 3.914 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.786 3.063 6.296 1.00 0.00 H new ATOM 924 N ASP A 61 -13.108 0.480 4.736 1.00 0.00 N ATOM 925 CA ASP A 61 -12.878 -0.504 5.787 1.00 0.00 C ATOM 926 C ASP A 61 -12.284 -1.786 5.211 1.00 0.00 C ATOM 927 O ASP A 61 -11.541 -2.496 5.888 1.00 0.00 O ATOM 928 CB ASP A 61 -14.184 -0.816 6.520 1.00 0.00 C ATOM 929 CG ASP A 61 -15.305 -1.192 5.571 1.00 0.00 C ATOM 930 OD1 ASP A 61 -15.786 -0.302 4.838 1.00 0.00 O ATOM 931 OD2 ASP A 61 -15.701 -2.376 5.560 1.00 0.00 O ATOM 0 H ASP A 61 -14.075 0.537 4.415 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.166 -0.081 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.017 -1.633 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.484 0.052 7.107 1.00 0.00 H new ATOM 936 N ARG A 62 -12.616 -2.074 3.957 1.00 0.00 N ATOM 937 CA ARG A 62 -12.115 -3.269 3.288 1.00 0.00 C ATOM 938 C ARG A 62 -10.622 -3.144 2.999 1.00 0.00 C ATOM 939 O ARG A 62 -9.826 -3.986 3.415 1.00 0.00 O ATOM 940 CB ARG A 62 -12.884 -3.511 1.987 1.00 0.00 C ATOM 941 CG ARG A 62 -13.390 -4.936 1.834 1.00 0.00 C ATOM 942 CD ARG A 62 -14.047 -5.156 0.480 1.00 0.00 C ATOM 943 NE ARG A 62 -15.392 -5.713 0.608 1.00 0.00 N ATOM 944 CZ ARG A 62 -16.468 -4.990 0.911 1.00 0.00 C ATOM 945 NH1 ARG A 62 -16.363 -3.684 1.119 1.00 0.00 N ATOM 946 NH2 ARG A 62 -17.653 -5.576 1.007 1.00 0.00 N ATOM 0 H ARG A 62 -13.230 -1.496 3.383 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.267 -4.120 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.732 -2.827 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.237 -3.272 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.560 -5.632 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.106 -5.155 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.097 -4.209 -0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.431 -5.829 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.513 -6.714 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.454 -3.228 1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.192 -3.136 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.740 -6.580 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.478 -5.023 1.239 1.00 0.00 H new ATOM 960 N VAL A 63 -10.249 -2.088 2.282 1.00 0.00 N ATOM 961 CA VAL A 63 -8.852 -1.853 1.937 1.00 0.00 C ATOM 962 C VAL A 63 -8.339 -0.563 2.568 1.00 0.00 C ATOM 963 O VAL A 63 -9.095 0.391 2.758 1.00 0.00 O ATOM 964 CB VAL A 63 -8.655 -1.775 0.411 1.00 0.00 C ATOM 965 CG1 VAL A 63 -7.174 -1.738 0.064 1.00 0.00 C ATOM 966 CG2 VAL A 63 -9.345 -2.942 -0.282 1.00 0.00 C ATOM 0 H VAL A 63 -10.895 -1.382 1.929 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.285 -2.698 2.328 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.112 -0.852 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.055 -1.683 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.714 -0.864 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.690 -2.641 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.193 -2.867 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.924 -3.880 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.413 -2.915 -0.063 1.00 0.00 H new ATOM 976 N VAL A 64 -7.050 -0.540 2.892 1.00 0.00 N ATOM 977 CA VAL A 64 -6.436 0.633 3.501 1.00 0.00 C ATOM 978 C VAL A 64 -5.102 0.963 2.838 1.00 0.00 C ATOM 979 O VAL A 64 -4.190 0.135 2.807 1.00 0.00 O ATOM 980 CB VAL A 64 -6.215 0.430 5.014 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.269 -0.735 5.267 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.688 1.705 5.655 1.00 0.00 C ATOM 0 H VAL A 64 -6.411 -1.321 2.743 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.125 1.465 3.353 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.175 0.192 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.126 -0.861 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.694 -1.647 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.308 -0.532 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.539 1.541 6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.739 1.979 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.408 2.510 5.509 1.00 0.00 H new ATOM 992 N ILE A 65 -4.994 2.178 2.310 1.00 0.00 N ATOM 993 CA ILE A 65 -3.772 2.619 1.649 1.00 0.00 C ATOM 994 C ILE A 65 -2.741 3.096 2.666 1.00 0.00 C ATOM 995 O ILE A 65 -3.020 3.975 3.482 1.00 0.00 O ATOM 996 CB ILE A 65 -4.052 3.756 0.647 1.00 0.00 C ATOM 997 CG1 ILE A 65 -5.226 3.387 -0.263 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.809 4.057 -0.176 1.00 0.00 C ATOM 999 CD1 ILE A 65 -4.942 2.209 -1.170 1.00 0.00 C ATOM 0 H ILE A 65 -5.739 2.875 2.327 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.377 1.759 1.108 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.319 4.654 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.095 3.159 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.487 4.251 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.024 4.862 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.999 4.360 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.512 3.164 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.818 2.005 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.093 2.441 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.711 1.332 -0.566 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.551 2.509 2.613 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.477 2.872 3.531 1.00 0.00 C ATOM 1013 C ALA A 66 0.796 3.234 2.773 1.00 0.00 C ATOM 1014 O ALA A 66 1.280 2.463 1.942 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.209 1.733 4.503 1.00 0.00 C ATOM 0 H ALA A 66 -1.305 1.779 1.944 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.794 3.750 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.595 2.016 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.112 1.524 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.083 0.842 3.948 1.00 0.00 H new ATOM 1021 N LYS A 67 1.336 4.412 3.069 1.00 0.00 N ATOM 1022 CA LYS A 67 2.555 4.877 2.418 1.00 0.00 C ATOM 1023 C LYS A 67 3.725 4.873 3.395 1.00 0.00 C ATOM 1024 O LYS A 67 3.573 5.233 4.563 1.00 0.00 O ATOM 1025 CB LYS A 67 2.353 6.282 1.849 1.00 0.00 C ATOM 1026 CG LYS A 67 2.023 7.325 2.905 1.00 0.00 C ATOM 1027 CD LYS A 67 2.765 8.629 2.655 1.00 0.00 C ATOM 1028 CE LYS A 67 3.337 9.202 3.942 1.00 0.00 C ATOM 1029 NZ LYS A 67 4.691 9.785 3.738 1.00 0.00 N ATOM 0 H LYS A 67 0.949 5.061 3.754 1.00 0.00 H new ATOM 0 HA LYS A 67 2.784 4.194 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.258 6.585 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.549 6.255 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.949 7.512 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.284 6.941 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.571 8.459 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.087 9.353 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.666 9.970 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.390 8.417 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.338 9.425 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.047 9.516 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.636 10.821 3.804 1.00 0.00 H new ATOM 1043 N VAL A 68 4.891 4.460 2.912 1.00 0.00 N ATOM 1044 CA VAL A 68 6.084 4.407 3.745 1.00 0.00 C ATOM 1045 C VAL A 68 7.350 4.528 2.904 1.00 0.00 C ATOM 1046 O VAL A 68 7.373 4.141 1.737 1.00 0.00 O ATOM 1047 CB VAL A 68 6.141 3.098 4.558 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.198 1.894 3.630 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.329 3.106 5.508 1.00 0.00 C ATOM 0 H VAL A 68 5.035 4.157 1.949 1.00 0.00 H new ATOM 0 HA VAL A 68 6.029 5.251 4.432 1.00 0.00 H new ATOM 0 HB VAL A 68 5.232 3.025 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.238 0.980 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.310 1.879 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.087 1.959 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.350 2.173 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.252 3.205 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.238 3.945 6.198 1.00 0.00 H new ATOM 1059 N ASP A 69 8.404 5.063 3.510 1.00 0.00 N ATOM 1060 CA ASP A 69 9.678 5.229 2.823 1.00 0.00 C ATOM 1061 C ASP A 69 10.511 3.957 2.933 1.00 0.00 C ATOM 1062 O ASP A 69 10.450 3.253 3.941 1.00 0.00 O ATOM 1063 CB ASP A 69 10.449 6.412 3.410 1.00 0.00 C ATOM 1064 CG ASP A 69 10.151 7.712 2.689 1.00 0.00 C ATOM 1065 OD1 ASP A 69 8.958 8.054 2.550 1.00 0.00 O ATOM 1066 OD2 ASP A 69 11.111 8.389 2.264 1.00 0.00 O ATOM 0 H ASP A 69 8.401 5.389 4.476 1.00 0.00 H new ATOM 0 HA ASP A 69 9.478 5.427 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.197 6.519 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.518 6.207 3.357 1.00 0.00 H new ATOM 1071 N ALA A 70 11.286 3.661 1.895 1.00 0.00 N ATOM 1072 CA ALA A 70 12.127 2.468 1.885 1.00 0.00 C ATOM 1073 C ALA A 70 13.349 2.639 2.787 1.00 0.00 C ATOM 1074 O ALA A 70 14.482 2.402 2.367 1.00 0.00 O ATOM 1075 CB ALA A 70 12.560 2.141 0.462 1.00 0.00 C ATOM 0 H ALA A 70 11.350 4.229 1.051 1.00 0.00 H new ATOM 0 HA ALA A 70 11.538 1.639 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.187 1.249 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.679 1.961 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.125 2.978 0.052 1.00 0.00 H new ATOM 1081 N THR A 71 13.110 3.049 4.030 1.00 0.00 N ATOM 1082 CA THR A 71 14.186 3.248 4.993 1.00 0.00 C ATOM 1083 C THR A 71 13.793 2.703 6.364 1.00 0.00 C ATOM 1084 O THR A 71 14.361 3.094 7.384 1.00 0.00 O ATOM 1085 CB THR A 71 14.534 4.734 5.101 1.00 0.00 C ATOM 1086 OG1 THR A 71 13.626 5.401 5.960 1.00 0.00 O ATOM 1087 CG2 THR A 71 14.516 5.454 3.769 1.00 0.00 C ATOM 0 H THR A 71 12.178 3.250 4.393 1.00 0.00 H new ATOM 0 HA THR A 71 15.062 2.703 4.642 1.00 0.00 H new ATOM 0 HB THR A 71 15.549 4.763 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.866 6.349 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.772 6.503 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.243 4.996 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.521 5.382 3.330 1.00 0.00 H new ATOM 1095 N ALA A 72 12.811 1.805 6.383 1.00 0.00 N ATOM 1096 CA ALA A 72 12.337 1.216 7.629 1.00 0.00 C ATOM 1097 C ALA A 72 13.353 0.234 8.201 1.00 0.00 C ATOM 1098 O ALA A 72 14.434 0.046 7.644 1.00 0.00 O ATOM 1099 CB ALA A 72 10.999 0.528 7.409 1.00 0.00 C ATOM 0 H ALA A 72 12.329 1.470 5.549 1.00 0.00 H new ATOM 0 HA ALA A 72 12.207 2.020 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.655 0.092 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.268 1.257 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.113 -0.259 6.663 1.00 0.00 H new ATOM 1105 N ASN A 73 12.995 -0.388 9.320 1.00 0.00 N ATOM 1106 CA ASN A 73 13.873 -1.352 9.976 1.00 0.00 C ATOM 1107 C ASN A 73 13.181 -2.703 10.129 1.00 0.00 C ATOM 1108 O ASN A 73 11.958 -2.777 10.239 1.00 0.00 O ATOM 1109 CB ASN A 73 14.305 -0.830 11.350 1.00 0.00 C ATOM 1110 CG ASN A 73 13.179 -0.132 12.090 1.00 0.00 C ATOM 1111 OD1 ASN A 73 12.473 -0.746 12.890 1.00 0.00 O ATOM 1112 ND2 ASN A 73 13.008 1.158 11.826 1.00 0.00 N ATOM 0 H ASN A 73 12.103 -0.242 9.792 1.00 0.00 H new ATOM 0 HA ASN A 73 14.756 -1.484 9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.670 -1.662 11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.137 -0.137 11.226 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.267 1.681 12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.617 1.626 11.155 1.00 0.00 H new ATOM 1119 N ASP A 74 13.975 -3.770 10.138 1.00 0.00 N ATOM 1120 CA ASP A 74 13.443 -5.122 10.282 1.00 0.00 C ATOM 1121 C ASP A 74 12.341 -5.395 9.260 1.00 0.00 C ATOM 1122 O ASP A 74 11.213 -5.734 9.621 1.00 0.00 O ATOM 1123 CB ASP A 74 12.905 -5.331 11.699 1.00 0.00 C ATOM 1124 CG ASP A 74 14.013 -5.405 12.732 1.00 0.00 C ATOM 1125 OD1 ASP A 74 14.726 -4.396 12.910 1.00 0.00 O ATOM 1126 OD2 ASP A 74 14.167 -6.472 13.362 1.00 0.00 O ATOM 0 H ASP A 74 14.990 -3.725 10.047 1.00 0.00 H new ATOM 0 HA ASP A 74 14.257 -5.824 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.229 -4.514 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.320 -6.250 11.731 1.00 0.00 H new ATOM 1131 N VAL A 75 12.676 -5.247 7.982 1.00 0.00 N ATOM 1132 CA VAL A 75 11.718 -5.480 6.909 1.00 0.00 C ATOM 1133 C VAL A 75 12.401 -6.098 5.690 1.00 0.00 C ATOM 1134 O VAL A 75 12.937 -5.385 4.841 1.00 0.00 O ATOM 1135 CB VAL A 75 11.018 -4.173 6.486 1.00 0.00 C ATOM 1136 CG1 VAL A 75 9.925 -4.454 5.466 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.452 -3.453 7.700 1.00 0.00 C ATOM 0 H VAL A 75 13.604 -4.967 7.665 1.00 0.00 H new ATOM 0 HA VAL A 75 10.971 -6.173 7.295 1.00 0.00 H new ATOM 0 HB VAL A 75 11.758 -3.523 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.444 -3.518 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.362 -4.921 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.184 -5.125 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.962 -2.533 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.727 -4.096 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.261 -3.213 8.390 1.00 0.00 H new ATOM 1147 N PRO A 76 12.391 -7.439 5.585 1.00 0.00 N ATOM 1148 CA PRO A 76 13.014 -8.147 4.461 1.00 0.00 C ATOM 1149 C PRO A 76 12.284 -7.897 3.146 1.00 0.00 C ATOM 1150 O PRO A 76 11.515 -8.738 2.681 1.00 0.00 O ATOM 1151 CB PRO A 76 12.906 -9.621 4.862 1.00 0.00 C ATOM 1152 CG PRO A 76 11.755 -9.674 5.805 1.00 0.00 C ATOM 1153 CD PRO A 76 11.774 -8.369 6.549 1.00 0.00 C ATOM 0 HA PRO A 76 14.038 -7.815 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.735 -10.256 3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.823 -9.970 5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.815 -9.804 5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.850 -10.516 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.770 -8.051 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.354 -8.439 7.469 1.00 0.00 H new ATOM 1161 N ASP A 77 12.529 -6.734 2.553 1.00 0.00 N ATOM 1162 CA ASP A 77 11.893 -6.371 1.292 1.00 0.00 C ATOM 1163 C ASP A 77 12.894 -6.412 0.141 1.00 0.00 C ATOM 1164 O ASP A 77 13.444 -5.384 -0.253 1.00 0.00 O ATOM 1165 CB ASP A 77 11.274 -4.976 1.394 1.00 0.00 C ATOM 1166 CG ASP A 77 12.237 -3.956 1.970 1.00 0.00 C ATOM 1167 OD1 ASP A 77 13.457 -4.221 1.962 1.00 0.00 O ATOM 1168 OD2 ASP A 77 11.770 -2.892 2.429 1.00 0.00 O ATOM 0 H ASP A 77 13.163 -6.027 2.925 1.00 0.00 H new ATOM 0 HA ASP A 77 11.107 -7.098 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.954 -4.651 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.382 -5.022 2.019 1.00 0.00 H new ATOM 1173 N GLU A 78 13.122 -7.606 -0.397 1.00 0.00 N ATOM 1174 CA GLU A 78 14.053 -7.781 -1.507 1.00 0.00 C ATOM 1175 C GLU A 78 13.377 -7.446 -2.833 1.00 0.00 C ATOM 1176 O GLU A 78 12.464 -8.146 -3.269 1.00 0.00 O ATOM 1177 CB GLU A 78 14.580 -9.216 -1.537 1.00 0.00 C ATOM 1178 CG GLU A 78 13.484 -10.268 -1.483 1.00 0.00 C ATOM 1179 CD GLU A 78 13.745 -11.431 -2.419 1.00 0.00 C ATOM 1180 OE1 GLU A 78 13.655 -11.235 -3.649 1.00 0.00 O ATOM 1181 OE2 GLU A 78 14.038 -12.539 -1.922 1.00 0.00 O ATOM 0 H GLU A 78 12.675 -8.467 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 78 14.891 -7.099 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.166 -9.360 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.256 -9.364 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.394 -10.641 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.530 -9.807 -1.740 1.00 0.00 H new ATOM 1188 N ILE A 79 13.828 -6.368 -3.468 1.00 0.00 N ATOM 1189 CA ILE A 79 13.260 -5.943 -4.741 1.00 0.00 C ATOM 1190 C ILE A 79 14.346 -5.525 -5.727 1.00 0.00 C ATOM 1191 O ILE A 79 15.471 -5.215 -5.334 1.00 0.00 O ATOM 1192 CB ILE A 79 12.267 -4.777 -4.560 1.00 0.00 C ATOM 1193 CG1 ILE A 79 12.984 -3.527 -4.020 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.118 -5.197 -3.651 1.00 0.00 C ATOM 1195 CD1 ILE A 79 13.211 -3.528 -2.520 1.00 0.00 C ATOM 0 H ILE A 79 14.583 -5.775 -3.122 1.00 0.00 H new ATOM 0 HA ILE A 79 12.726 -6.804 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 79 11.850 -4.520 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.948 -3.433 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 79 12.400 -2.646 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.425 -4.364 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.595 -6.044 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.512 -5.483 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.722 -2.610 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.251 -3.588 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.824 -4.387 -2.245 1.00 0.00 H new ATOM 1207 N GLN A 80 13.998 -5.514 -7.009 1.00 0.00 N ATOM 1208 CA GLN A 80 14.938 -5.130 -8.054 1.00 0.00 C ATOM 1209 C GLN A 80 14.930 -3.618 -8.264 1.00 0.00 C ATOM 1210 O GLN A 80 15.940 -3.031 -8.654 1.00 0.00 O ATOM 1211 CB GLN A 80 14.595 -5.840 -9.365 1.00 0.00 C ATOM 1212 CG GLN A 80 13.243 -5.443 -9.935 1.00 0.00 C ATOM 1213 CD GLN A 80 12.861 -6.261 -11.154 1.00 0.00 C ATOM 1214 OE1 GLN A 80 13.468 -6.131 -12.218 1.00 0.00 O ATOM 1215 NE2 GLN A 80 11.851 -7.109 -11.005 1.00 0.00 N ATOM 0 H GLN A 80 13.070 -5.767 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 80 15.937 -5.430 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.369 -5.621 -10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 80 14.608 -6.917 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.479 -5.564 -9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.262 -4.386 -10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.377 -7.184 -10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.549 -7.686 -11.790 1.00 0.00 H new ATOM 1224 N GLY A 81 13.785 -2.992 -8.005 1.00 0.00 N ATOM 1225 CA GLY A 81 13.673 -1.554 -8.173 1.00 0.00 C ATOM 1226 C GLY A 81 13.026 -0.872 -6.981 1.00 0.00 C ATOM 1227 O GLY A 81 12.099 -1.410 -6.376 1.00 0.00 O ATOM 0 H GLY A 81 12.935 -3.454 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.666 -1.133 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.089 -1.342 -9.069 1.00 0.00 H new ATOM 1231 N PHE A 82 13.533 0.310 -6.635 1.00 0.00 N ATOM 1232 CA PHE A 82 13.031 1.073 -5.505 1.00 0.00 C ATOM 1233 C PHE A 82 11.550 1.108 -5.361 1.00 0.00 C ATOM 1234 O PHE A 82 11.055 0.964 -4.244 1.00 0.00 O ATOM 1235 CB PHE A 82 13.581 2.482 -5.534 1.00 0.00 C ATOM 1236 CG PHE A 82 14.612 2.655 -4.491 1.00 0.00 C ATOM 1237 CD1 PHE A 82 14.269 2.528 -3.160 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.920 2.894 -4.836 1.00 0.00 C ATOM 1239 CE1 PHE A 82 15.230 2.651 -2.179 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.886 3.012 -3.871 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.546 2.894 -2.534 1.00 0.00 C ATOM 0 H PHE A 82 14.301 0.761 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 82 13.389 0.534 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.008 2.692 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.774 3.197 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.243 2.331 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.190 2.990 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.957 2.558 -1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.912 3.197 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 82 17.304 2.991 -1.771 1.00 0.00 H new ATOM 1251 N PRO A 83 10.797 1.333 -6.415 1.00 0.00 N ATOM 1252 CA PRO A 83 9.382 1.402 -6.241 1.00 0.00 C ATOM 1253 C PRO A 83 8.802 0.057 -5.827 1.00 0.00 C ATOM 1254 O PRO A 83 8.206 -0.666 -6.625 1.00 0.00 O ATOM 1255 CB PRO A 83 8.863 1.884 -7.587 1.00 0.00 C ATOM 1256 CG PRO A 83 9.930 1.526 -8.566 1.00 0.00 C ATOM 1257 CD PRO A 83 11.226 1.576 -7.804 1.00 0.00 C ATOM 0 HA PRO A 83 9.087 2.076 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.918 1.403 -7.840 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.681 2.959 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.760 0.533 -8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.942 2.225 -9.403 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.928 0.817 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.722 2.541 -7.911 1.00 0.00 H new ATOM 1265 N THR A 84 9.017 -0.261 -4.556 1.00 0.00 N ATOM 1266 CA THR A 84 8.568 -1.506 -3.962 1.00 0.00 C ATOM 1267 C THR A 84 7.074 -1.462 -3.647 1.00 0.00 C ATOM 1268 O THR A 84 6.569 -0.474 -3.117 1.00 0.00 O ATOM 1269 CB THR A 84 9.393 -1.765 -2.691 1.00 0.00 C ATOM 1270 OG1 THR A 84 10.552 -2.515 -2.995 1.00 0.00 O ATOM 1271 CG2 THR A 84 8.644 -2.506 -1.600 1.00 0.00 C ATOM 0 H THR A 84 9.514 0.347 -3.905 1.00 0.00 H new ATOM 0 HA THR A 84 8.718 -2.321 -4.670 1.00 0.00 H new ATOM 0 HB THR A 84 9.639 -0.772 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.599 -2.667 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.299 -2.647 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.771 -1.927 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.323 -3.478 -1.975 1.00 0.00 H new ATOM 1279 N ILE A 85 6.377 -2.546 -3.972 1.00 0.00 N ATOM 1280 CA ILE A 85 4.945 -2.643 -3.718 1.00 0.00 C ATOM 1281 C ILE A 85 4.604 -3.976 -3.062 1.00 0.00 C ATOM 1282 O ILE A 85 4.649 -5.025 -3.705 1.00 0.00 O ATOM 1283 CB ILE A 85 4.122 -2.499 -5.014 1.00 0.00 C ATOM 1284 CG1 ILE A 85 4.567 -1.264 -5.801 1.00 0.00 C ATOM 1285 CG2 ILE A 85 2.637 -2.419 -4.691 1.00 0.00 C ATOM 1286 CD1 ILE A 85 4.496 -1.448 -7.302 1.00 0.00 C ATOM 0 H ILE A 85 6.783 -3.371 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 85 4.687 -1.823 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 85 4.296 -3.379 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.943 -0.417 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.590 -1.014 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.069 -2.318 -5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.328 -3.327 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.449 -1.555 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.825 -0.534 -7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.142 -2.274 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.469 -1.668 -7.593 1.00 0.00 H new ATOM 1298 N LYS A 86 4.267 -3.929 -1.777 1.00 0.00 N ATOM 1299 CA LYS A 86 3.921 -5.134 -1.032 1.00 0.00 C ATOM 1300 C LYS A 86 2.414 -5.233 -0.823 1.00 0.00 C ATOM 1301 O LYS A 86 1.797 -4.343 -0.235 1.00 0.00 O ATOM 1302 CB LYS A 86 4.638 -5.146 0.319 1.00 0.00 C ATOM 1303 CG LYS A 86 6.141 -5.348 0.209 1.00 0.00 C ATOM 1304 CD LYS A 86 6.672 -6.206 1.346 1.00 0.00 C ATOM 1305 CE LYS A 86 7.962 -6.911 0.956 1.00 0.00 C ATOM 1306 NZ LYS A 86 7.811 -7.689 -0.305 1.00 0.00 N ATOM 0 H LYS A 86 4.226 -3.069 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 86 4.244 -5.996 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.443 -4.205 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.218 -5.939 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.377 -5.819 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.641 -4.380 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.848 -5.582 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.922 -6.946 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.756 -6.174 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.268 -7.580 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.412 -8.537 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.818 -7.974 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.098 -7.100 -1.113 1.00 0.00 H new ATOM 1320 N LEU A 87 1.828 -6.321 -1.312 1.00 0.00 N ATOM 1321 CA LEU A 87 0.393 -6.542 -1.185 1.00 0.00 C ATOM 1322 C LEU A 87 0.095 -7.606 -0.132 1.00 0.00 C ATOM 1323 O LEU A 87 0.713 -8.672 -0.119 1.00 0.00 O ATOM 1324 CB LEU A 87 -0.198 -6.960 -2.534 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.449 -6.192 -2.961 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -2.582 -6.428 -1.974 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.146 -4.706 -3.083 1.00 0.00 C ATOM 0 H LEU A 87 2.327 -7.065 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.068 -5.607 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.566 -6.835 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.439 -8.022 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.763 -6.560 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.464 -5.874 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.816 -7.492 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.279 -6.088 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.048 -4.175 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.807 -4.323 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.366 -4.554 -3.829 1.00 0.00 H new ATOM 1339 N TYR A 88 -0.858 -7.311 0.747 1.00 0.00 N ATOM 1340 CA TYR A 88 -1.244 -8.242 1.802 1.00 0.00 C ATOM 1341 C TYR A 88 -2.764 -8.376 1.878 1.00 0.00 C ATOM 1342 O TYR A 88 -3.431 -7.591 2.552 1.00 0.00 O ATOM 1343 CB TYR A 88 -0.693 -7.773 3.149 1.00 0.00 C ATOM 1344 CG TYR A 88 0.697 -8.289 3.445 1.00 0.00 C ATOM 1345 CD1 TYR A 88 0.891 -9.573 3.939 1.00 0.00 C ATOM 1346 CD2 TYR A 88 1.815 -7.493 3.231 1.00 0.00 C ATOM 1347 CE1 TYR A 88 2.160 -10.049 4.211 1.00 0.00 C ATOM 1348 CE2 TYR A 88 3.087 -7.962 3.500 1.00 0.00 C ATOM 1349 CZ TYR A 88 3.254 -9.240 3.990 1.00 0.00 C ATOM 1350 OH TYR A 88 4.519 -9.710 4.259 1.00 0.00 O ATOM 0 H TYR A 88 -1.378 -6.433 0.749 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.822 -9.219 1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.679 -6.683 3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.368 -8.096 3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.036 -10.210 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.688 -6.491 2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.294 -11.050 4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.946 -7.331 3.327 1.00 0.00 H new ATOM 0 HH TYR A 88 4.490 -10.684 4.366 1.00 0.00 H new ATOM 1360 N PRO A 89 -3.335 -9.376 1.182 1.00 0.00 N ATOM 1361 CA PRO A 89 -4.780 -9.606 1.175 1.00 0.00 C ATOM 1362 C PRO A 89 -5.261 -10.319 2.433 1.00 0.00 C ATOM 1363 O PRO A 89 -4.558 -11.164 2.987 1.00 0.00 O ATOM 1364 CB PRO A 89 -4.978 -10.493 -0.052 1.00 0.00 C ATOM 1365 CG PRO A 89 -3.709 -11.264 -0.163 1.00 0.00 C ATOM 1366 CD PRO A 89 -2.616 -10.358 0.345 1.00 0.00 C ATOM 0 HA PRO A 89 -5.346 -8.675 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.835 -11.155 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.161 -9.898 -0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.759 -12.181 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.522 -11.558 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.875 -10.910 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.085 -9.873 -0.474 1.00 0.00 H new ATOM 1374 N ALA A 90 -6.464 -9.974 2.880 1.00 0.00 N ATOM 1375 CA ALA A 90 -7.039 -10.582 4.073 1.00 0.00 C ATOM 1376 C ALA A 90 -7.566 -11.982 3.775 1.00 0.00 C ATOM 1377 O ALA A 90 -8.102 -12.237 2.697 1.00 0.00 O ATOM 1378 CB ALA A 90 -8.147 -9.702 4.632 1.00 0.00 C ATOM 0 H ALA A 90 -7.059 -9.276 2.434 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.252 -10.672 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.568 -10.168 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.740 -8.725 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.929 -9.581 3.882 1.00 0.00 H new ATOM 1384 N GLY A 91 -7.407 -12.885 4.736 1.00 0.00 N ATOM 1385 CA GLY A 91 -7.870 -14.248 4.557 1.00 0.00 C ATOM 1386 C GLY A 91 -6.767 -15.174 4.083 1.00 0.00 C ATOM 1387 O GLY A 91 -6.700 -16.332 4.495 1.00 0.00 O ATOM 0 H GLY A 91 -6.966 -12.697 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.273 -14.619 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.686 -14.260 3.835 1.00 0.00 H new ATOM 1391 N ALA A 92 -5.899 -14.661 3.217 1.00 0.00 N ATOM 1392 CA ALA A 92 -4.791 -15.448 2.687 1.00 0.00 C ATOM 1393 C ALA A 92 -3.456 -14.730 2.876 1.00 0.00 C ATOM 1394 O ALA A 92 -2.447 -15.116 2.285 1.00 0.00 O ATOM 1395 CB ALA A 92 -5.022 -15.756 1.216 1.00 0.00 C ATOM 0 H ALA A 92 -5.941 -13.704 2.867 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.747 -16.384 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.188 -16.344 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.947 -16.322 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.097 -14.824 0.656 1.00 0.00 H new ATOM 1401 N LYS A 93 -3.453 -13.685 3.701 1.00 0.00 N ATOM 1402 CA LYS A 93 -2.235 -12.920 3.961 1.00 0.00 C ATOM 1403 C LYS A 93 -1.114 -13.832 4.456 1.00 0.00 C ATOM 1404 O LYS A 93 -1.260 -15.054 4.480 1.00 0.00 O ATOM 1405 CB LYS A 93 -2.495 -11.800 4.980 1.00 0.00 C ATOM 1406 CG LYS A 93 -3.490 -12.161 6.076 1.00 0.00 C ATOM 1407 CD LYS A 93 -3.064 -13.404 6.841 1.00 0.00 C ATOM 1408 CE LYS A 93 -3.793 -14.642 6.346 1.00 0.00 C ATOM 1409 NZ LYS A 93 -4.109 -15.584 7.456 1.00 0.00 N ATOM 0 H LYS A 93 -4.277 -13.349 4.199 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.923 -12.465 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.549 -11.521 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.861 -10.921 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.587 -11.324 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.473 -12.325 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.989 -13.547 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.263 -13.264 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.716 -14.345 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.180 -15.151 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.466 -16.478 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.248 -15.769 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.833 -15.164 8.072 1.00 0.00 H new ATOM 1423 N GLY A 94 0.007 -13.231 4.845 1.00 0.00 N ATOM 1424 CA GLY A 94 1.134 -14.008 5.327 1.00 0.00 C ATOM 1425 C GLY A 94 2.260 -14.087 4.313 1.00 0.00 C ATOM 1426 O GLY A 94 3.393 -14.420 4.658 1.00 0.00 O ATOM 0 H GLY A 94 0.154 -12.222 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.510 -13.564 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.798 -15.016 5.572 1.00 0.00 H new ATOM 1430 N GLN A 95 1.948 -13.776 3.057 1.00 0.00 N ATOM 1431 CA GLN A 95 2.942 -13.809 1.990 1.00 0.00 C ATOM 1432 C GLN A 95 3.082 -12.432 1.342 1.00 0.00 C ATOM 1433 O GLN A 95 2.135 -11.923 0.742 1.00 0.00 O ATOM 1434 CB GLN A 95 2.564 -14.852 0.931 1.00 0.00 C ATOM 1435 CG GLN A 95 1.064 -15.010 0.720 1.00 0.00 C ATOM 1436 CD GLN A 95 0.467 -13.889 -0.108 1.00 0.00 C ATOM 1437 OE1 GLN A 95 0.670 -13.821 -1.320 1.00 0.00 O ATOM 1438 NE2 GLN A 95 -0.273 -13.000 0.544 1.00 0.00 N ATOM 0 H GLN A 95 1.014 -13.498 2.754 1.00 0.00 H new ATOM 0 HA GLN A 95 3.900 -14.088 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.026 -14.575 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.983 -15.816 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.869 -15.963 0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.567 -15.044 1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.416 -13.094 1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.699 -12.223 0.039 1.00 0.00 H new ATOM 1447 N PRO A 96 4.267 -11.802 1.454 1.00 0.00 N ATOM 1448 CA PRO A 96 4.510 -10.478 0.873 1.00 0.00 C ATOM 1449 C PRO A 96 4.575 -10.516 -0.649 1.00 0.00 C ATOM 1450 O PRO A 96 5.475 -11.125 -1.226 1.00 0.00 O ATOM 1451 CB PRO A 96 5.867 -10.077 1.456 1.00 0.00 C ATOM 1452 CG PRO A 96 6.546 -11.368 1.756 1.00 0.00 C ATOM 1453 CD PRO A 96 5.457 -12.326 2.153 1.00 0.00 C ATOM 0 HA PRO A 96 3.707 -9.778 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.443 -9.482 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.749 -9.473 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.090 -11.734 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.273 -11.249 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.687 -13.346 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.313 -12.345 3.233 1.00 0.00 H new ATOM 1461 N VAL A 97 3.616 -9.861 -1.295 1.00 0.00 N ATOM 1462 CA VAL A 97 3.570 -9.821 -2.752 1.00 0.00 C ATOM 1463 C VAL A 97 4.543 -8.784 -3.301 1.00 0.00 C ATOM 1464 O VAL A 97 4.298 -7.581 -3.214 1.00 0.00 O ATOM 1465 CB VAL A 97 2.152 -9.502 -3.262 1.00 0.00 C ATOM 1466 CG1 VAL A 97 2.079 -9.664 -4.773 1.00 0.00 C ATOM 1467 CG2 VAL A 97 1.125 -10.388 -2.573 1.00 0.00 C ATOM 0 H VAL A 97 2.862 -9.352 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 97 3.859 -10.811 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 97 1.923 -8.464 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.070 -9.435 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.786 -8.983 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.328 -10.691 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.129 -10.148 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.349 -11.434 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.160 -10.217 -1.497 1.00 0.00 H new ATOM 1477 N THR A 98 5.649 -9.259 -3.864 1.00 0.00 N ATOM 1478 CA THR A 98 6.662 -8.374 -4.426 1.00 0.00 C ATOM 1479 C THR A 98 6.369 -8.070 -5.892 1.00 0.00 C ATOM 1480 O THR A 98 6.502 -8.937 -6.755 1.00 0.00 O ATOM 1481 CB THR A 98 8.052 -9.001 -4.289 1.00 0.00 C ATOM 1482 OG1 THR A 98 8.035 -10.060 -3.349 1.00 0.00 O ATOM 1483 CG2 THR A 98 9.111 -8.014 -3.849 1.00 0.00 C ATOM 0 H THR A 98 5.866 -10.252 -3.943 1.00 0.00 H new ATOM 0 HA THR A 98 6.638 -7.437 -3.869 1.00 0.00 H new ATOM 0 HB THR A 98 8.305 -9.363 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.932 -10.448 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.072 -8.522 -3.771 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.184 -7.209 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.841 -7.599 -2.878 1.00 0.00 H new ATOM 1491 N TYR A 99 5.968 -6.832 -6.164 1.00 0.00 N ATOM 1492 CA TYR A 99 5.654 -6.411 -7.525 1.00 0.00 C ATOM 1493 C TYR A 99 6.910 -6.360 -8.387 1.00 0.00 C ATOM 1494 O TYR A 99 8.008 -6.673 -7.926 1.00 0.00 O ATOM 1495 CB TYR A 99 4.987 -5.037 -7.514 1.00 0.00 C ATOM 1496 CG TYR A 99 3.500 -5.082 -7.251 1.00 0.00 C ATOM 1497 CD1 TYR A 99 2.972 -5.910 -6.268 1.00 0.00 C ATOM 1498 CD2 TYR A 99 2.623 -4.295 -7.987 1.00 0.00 C ATOM 1499 CE1 TYR A 99 1.613 -5.951 -6.025 1.00 0.00 C ATOM 1500 CE2 TYR A 99 1.262 -4.331 -7.750 1.00 0.00 C ATOM 1501 CZ TYR A 99 0.762 -5.160 -6.768 1.00 0.00 C ATOM 1502 OH TYR A 99 -0.592 -5.198 -6.529 1.00 0.00 O ATOM 0 H TYR A 99 5.853 -6.103 -5.460 1.00 0.00 H new ATOM 0 HA TYR A 99 4.969 -7.144 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.462 -4.419 -6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.162 -4.551 -8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.635 -6.532 -5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.011 -3.645 -8.757 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.219 -6.599 -5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.593 -3.713 -8.331 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.932 -4.285 -6.425 1.00 0.00 H new ATOM 1512 N SER A 100 6.738 -5.954 -9.640 1.00 0.00 N ATOM 1513 CA SER A 100 7.852 -5.848 -10.573 1.00 0.00 C ATOM 1514 C SER A 100 8.158 -4.386 -10.883 1.00 0.00 C ATOM 1515 O SER A 100 9.299 -4.029 -11.179 1.00 0.00 O ATOM 1516 CB SER A 100 7.537 -6.602 -11.867 1.00 0.00 C ATOM 1517 OG SER A 100 8.695 -6.742 -12.671 1.00 0.00 O ATOM 0 H SER A 100 5.834 -5.692 -10.033 1.00 0.00 H new ATOM 0 HA SER A 100 8.730 -6.296 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.135 -7.587 -11.629 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.766 -6.069 -12.424 1.00 0.00 H new ATOM 0 HG SER A 100 8.467 -7.228 -13.491 1.00 0.00 H new ATOM 1523 N GLY A 101 7.131 -3.543 -10.810 1.00 0.00 N ATOM 1524 CA GLY A 101 7.310 -2.129 -11.082 1.00 0.00 C ATOM 1525 C GLY A 101 5.999 -1.367 -11.079 1.00 0.00 C ATOM 1526 O GLY A 101 4.972 -1.883 -11.519 1.00 0.00 O ATOM 0 H GLY A 101 6.178 -3.815 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.978 -1.700 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.795 -2.007 -12.050 1.00 0.00 H new ATOM 1530 N SER A 102 6.034 -0.135 -10.579 1.00 0.00 N ATOM 1531 CA SER A 102 4.839 0.699 -10.520 1.00 0.00 C ATOM 1532 C SER A 102 4.912 1.832 -11.539 1.00 0.00 C ATOM 1533 O SER A 102 5.872 1.932 -12.303 1.00 0.00 O ATOM 1534 CB SER A 102 4.662 1.275 -9.113 1.00 0.00 C ATOM 1535 OG SER A 102 3.296 1.294 -8.736 1.00 0.00 O ATOM 0 H SER A 102 6.876 0.307 -10.210 1.00 0.00 H new ATOM 0 HA SER A 102 3.980 0.073 -10.761 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.231 0.679 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.066 2.287 -9.078 1.00 0.00 H new ATOM 0 HG SER A 102 3.211 1.665 -7.833 1.00 0.00 H new ATOM 1541 N ARG A 103 3.892 2.685 -11.541 1.00 0.00 N ATOM 1542 CA ARG A 103 3.839 3.815 -12.464 1.00 0.00 C ATOM 1543 C ARG A 103 2.562 4.626 -12.263 1.00 0.00 C ATOM 1544 O ARG A 103 2.568 5.851 -12.385 1.00 0.00 O ATOM 1545 CB ARG A 103 3.926 3.329 -13.914 1.00 0.00 C ATOM 1546 CG ARG A 103 2.882 2.283 -14.272 1.00 0.00 C ATOM 1547 CD ARG A 103 2.581 2.285 -15.763 1.00 0.00 C ATOM 1548 NE ARG A 103 3.700 1.771 -16.549 1.00 0.00 N ATOM 1549 CZ ARG A 103 3.858 1.997 -17.851 1.00 0.00 C ATOM 1550 NH1 ARG A 103 2.972 2.726 -18.518 1.00 0.00 N ATOM 1551 NH2 ARG A 103 4.905 1.492 -18.489 1.00 0.00 N ATOM 0 H ARG A 103 3.091 2.616 -10.914 1.00 0.00 H new ATOM 0 HA ARG A 103 4.694 4.458 -12.254 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.815 4.184 -14.582 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.918 2.914 -14.090 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.236 1.297 -13.972 1.00 0.00 H new ATOM 0 HG3 ARG A 103 1.966 2.476 -13.714 1.00 0.00 H new ATOM 0 HD2 ARG A 103 1.695 1.679 -15.955 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.349 3.300 -16.084 1.00 0.00 H new ATOM 0 HE ARG A 103 4.402 1.205 -16.072 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.164 3.117 -18.033 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.099 2.896 -19.516 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.589 0.930 -17.982 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.026 1.665 -19.487 1.00 0.00 H new ATOM 1565 N THR A 104 1.468 3.936 -11.954 1.00 0.00 N ATOM 1566 CA THR A 104 0.185 4.596 -11.738 1.00 0.00 C ATOM 1567 C THR A 104 -0.653 3.835 -10.715 1.00 0.00 C ATOM 1568 O THR A 104 -0.561 2.612 -10.609 1.00 0.00 O ATOM 1569 CB THR A 104 -0.580 4.712 -13.057 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.284 5.118 -14.103 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.726 5.698 -12.999 1.00 0.00 C ATOM 0 H THR A 104 1.444 2.922 -11.848 1.00 0.00 H new ATOM 0 HA THR A 104 0.379 5.596 -11.350 1.00 0.00 H new ATOM 0 HB THR A 104 -0.987 3.718 -13.244 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.223 5.185 -14.939 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.226 5.732 -13.967 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.437 5.385 -12.234 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.342 6.688 -12.754 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.469 4.567 -9.964 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.323 3.963 -8.950 1.00 0.00 C ATOM 1581 C VAL A 105 -3.399 3.086 -9.582 1.00 0.00 C ATOM 1582 O VAL A 105 -3.882 2.139 -8.963 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.999 5.035 -8.076 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.987 5.675 -7.138 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.671 6.088 -8.945 1.00 0.00 C ATOM 0 H VAL A 105 -1.556 5.580 -10.039 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.679 3.345 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.767 4.553 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.483 6.430 -6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.557 4.911 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.195 6.143 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.143 6.837 -8.309 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.925 6.568 -9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.427 5.615 -9.571 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.772 3.407 -10.817 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.792 2.647 -11.530 1.00 0.00 C ATOM 1597 C GLU A 106 -4.379 1.186 -11.680 1.00 0.00 C ATOM 1598 O GLU A 106 -5.217 0.285 -11.633 1.00 0.00 O ATOM 1599 CB GLU A 106 -5.046 3.262 -12.908 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.844 3.195 -13.835 1.00 0.00 C ATOM 1601 CD GLU A 106 -4.018 4.048 -15.077 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -5.176 4.351 -15.432 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -2.995 4.412 -15.695 1.00 0.00 O ATOM 0 H GLU A 106 -3.383 4.188 -11.345 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.712 2.687 -10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.885 2.748 -13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.340 4.304 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.955 3.522 -13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.675 2.160 -14.130 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.082 0.958 -11.861 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.558 -0.394 -12.018 1.00 0.00 C ATOM 1612 C ASP A 107 -2.497 -1.117 -10.677 1.00 0.00 C ATOM 1613 O ASP A 107 -2.637 -2.338 -10.612 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.165 -0.353 -12.650 1.00 0.00 C ATOM 1615 CG ASP A 107 -0.698 -1.721 -13.108 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -1.207 -2.207 -14.140 1.00 0.00 O ATOM 1617 OD2 ASP A 107 0.176 -2.306 -12.435 1.00 0.00 O ATOM 0 H ASP A 107 -2.375 1.692 -11.903 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.234 -0.942 -12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.175 0.328 -13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.453 0.048 -11.929 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.287 -0.355 -9.608 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.207 -0.924 -8.268 1.00 0.00 C ATOM 1624 C LEU A 108 -3.570 -1.429 -7.806 1.00 0.00 C ATOM 1625 O LEU A 108 -3.704 -2.573 -7.373 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.674 0.117 -7.281 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.565 -0.361 -5.833 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.205 -0.994 -5.581 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -1.803 0.795 -4.872 1.00 0.00 C ATOM 0 H LEU A 108 -2.169 0.658 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.520 -1.770 -8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.689 0.442 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.325 0.991 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.332 -1.116 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.146 -1.328 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.072 -1.847 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.579 -0.260 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.722 0.437 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.058 1.572 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.800 1.205 -5.036 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.578 -0.568 -7.901 1.00 0.00 N ATOM 1642 CA ILE A 109 -5.931 -0.924 -7.492 1.00 0.00 C ATOM 1643 C ILE A 109 -6.437 -2.144 -8.258 1.00 0.00 C ATOM 1644 O ILE A 109 -7.006 -3.065 -7.672 1.00 0.00 O ATOM 1645 CB ILE A 109 -6.908 0.249 -7.708 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.321 -0.137 -7.257 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -6.906 0.674 -9.170 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.369 0.910 -7.571 1.00 0.00 C ATOM 0 H ILE A 109 -4.483 0.383 -8.258 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.889 -1.161 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.578 1.093 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.602 -1.075 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.313 -0.319 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.600 1.503 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.902 0.989 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.214 -0.165 -9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.343 0.566 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.113 1.843 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.407 1.075 -8.648 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.232 -2.140 -9.571 1.00 0.00 N ATOM 1661 CA LYS A 110 -6.674 -3.244 -10.416 1.00 0.00 C ATOM 1662 C LYS A 110 -6.055 -4.564 -9.967 1.00 0.00 C ATOM 1663 O LYS A 110 -6.704 -5.610 -10.006 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.313 -2.971 -11.877 1.00 0.00 C ATOM 1665 CG LYS A 110 -6.958 -3.940 -12.854 1.00 0.00 C ATOM 1666 CD LYS A 110 -6.581 -3.618 -14.291 1.00 0.00 C ATOM 1667 CE LYS A 110 -7.649 -4.087 -15.265 1.00 0.00 C ATOM 1668 NZ LYS A 110 -7.296 -3.765 -16.675 1.00 0.00 N ATOM 0 H LYS A 110 -5.763 -1.386 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.757 -3.324 -10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.614 -1.955 -12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.230 -3.021 -11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.649 -4.958 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.042 -3.901 -12.744 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.436 -2.543 -14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.631 -4.094 -14.534 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.786 -5.163 -15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.601 -3.619 -15.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.050 -4.102 -17.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.190 -2.736 -16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.401 -4.232 -16.924 1.00 0.00 H new ATOM 1682 N PHE A 111 -4.796 -4.510 -9.545 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.090 -5.703 -9.093 1.00 0.00 C ATOM 1684 C PHE A 111 -4.644 -6.196 -7.759 1.00 0.00 C ATOM 1685 O PHE A 111 -4.831 -7.396 -7.559 1.00 0.00 O ATOM 1686 CB PHE A 111 -2.592 -5.415 -8.964 1.00 0.00 C ATOM 1687 CG PHE A 111 -1.729 -6.367 -9.741 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -1.751 -6.369 -11.127 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -0.897 -7.261 -9.087 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -0.959 -7.244 -11.845 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -0.102 -8.138 -9.799 1.00 0.00 C ATOM 1692 CZ PHE A 111 -0.133 -8.130 -11.180 1.00 0.00 C ATOM 0 H PHE A 111 -4.244 -3.653 -9.507 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.241 -6.486 -9.836 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.395 -4.398 -9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.311 -5.459 -7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.395 -5.679 -11.652 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.870 -7.272 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.985 -7.236 -12.925 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.543 -8.829 -9.277 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.487 -8.815 -11.739 1.00 0.00 H new ATOM 1702 N ILE A 112 -4.905 -5.263 -6.849 1.00 0.00 N ATOM 1703 CA ILE A 112 -5.436 -5.605 -5.534 1.00 0.00 C ATOM 1704 C ILE A 112 -6.754 -6.365 -5.654 1.00 0.00 C ATOM 1705 O ILE A 112 -7.093 -7.177 -4.793 1.00 0.00 O ATOM 1706 CB ILE A 112 -5.653 -4.346 -4.671 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.360 -3.533 -4.584 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.135 -4.729 -3.279 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.589 -2.040 -4.503 1.00 0.00 C ATOM 0 H ILE A 112 -4.758 -4.265 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.697 -6.243 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.420 -3.731 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.797 -3.854 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.744 -3.751 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.283 -3.828 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.078 -5.271 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.390 -5.363 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.629 -1.527 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.125 -1.705 -5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.179 -1.810 -3.616 1.00 0.00 H new ATOM 1721 N ALA A 113 -7.492 -6.100 -6.727 1.00 0.00 N ATOM 1722 CA ALA A 113 -8.769 -6.762 -6.957 1.00 0.00 C ATOM 1723 C ALA A 113 -8.571 -8.119 -7.626 1.00 0.00 C ATOM 1724 O ALA A 113 -9.373 -9.035 -7.444 1.00 0.00 O ATOM 1725 CB ALA A 113 -9.678 -5.881 -7.801 1.00 0.00 C ATOM 0 H ALA A 113 -7.227 -5.431 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.243 -6.929 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.628 -6.389 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.855 -4.939 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.203 -5.683 -8.762 1.00 0.00 H new ATOM 1731 N GLU A 114 -7.496 -8.241 -8.399 1.00 0.00 N ATOM 1732 CA GLU A 114 -7.191 -9.486 -9.093 1.00 0.00 C ATOM 1733 C GLU A 114 -6.548 -10.496 -8.146 1.00 0.00 C ATOM 1734 O GLU A 114 -6.675 -11.706 -8.335 1.00 0.00 O ATOM 1735 CB GLU A 114 -6.263 -9.219 -10.279 1.00 0.00 C ATOM 1736 CG GLU A 114 -7.000 -8.938 -11.579 1.00 0.00 C ATOM 1737 CD GLU A 114 -6.608 -9.890 -12.692 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -5.412 -10.240 -12.779 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -7.496 -10.285 -13.476 1.00 0.00 O ATOM 0 H GLU A 114 -6.822 -7.492 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.127 -9.906 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.622 -8.369 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.611 -10.081 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.074 -9.010 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.796 -7.914 -11.893 1.00 0.00 H new ATOM 1746 N ASN A 115 -5.858 -9.991 -7.129 1.00 0.00 N ATOM 1747 CA ASN A 115 -5.195 -10.849 -6.153 1.00 0.00 C ATOM 1748 C ASN A 115 -5.763 -10.628 -4.754 1.00 0.00 C ATOM 1749 O ASN A 115 -5.098 -10.900 -3.754 1.00 0.00 O ATOM 1750 CB ASN A 115 -3.688 -10.583 -6.149 1.00 0.00 C ATOM 1751 CG ASN A 115 -3.104 -10.537 -7.548 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -2.372 -11.438 -7.958 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -3.425 -9.482 -8.288 1.00 0.00 N ATOM 0 H ASN A 115 -5.743 -8.992 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.376 -11.885 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.490 -9.637 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.186 -11.362 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.061 -9.395 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.035 -8.759 -7.907 1.00 0.00 H new ATOM 1760 N GLY A 116 -6.996 -10.134 -4.689 1.00 0.00 N ATOM 1761 CA GLY A 116 -7.629 -9.887 -3.407 1.00 0.00 C ATOM 1762 C GLY A 116 -8.981 -10.562 -3.286 1.00 0.00 C ATOM 1763 O GLY A 116 -9.865 -10.349 -4.116 1.00 0.00 O ATOM 0 H GLY A 116 -7.567 -9.901 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.977 -10.242 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.749 -8.813 -3.266 1.00 0.00 H new ATOM 1767 N LYS A 117 -9.142 -11.379 -2.250 1.00 0.00 N ATOM 1768 CA LYS A 117 -10.397 -12.088 -2.023 1.00 0.00 C ATOM 1769 C LYS A 117 -11.513 -11.114 -1.659 1.00 0.00 C ATOM 1770 O LYS A 117 -12.678 -11.338 -1.989 1.00 0.00 O ATOM 1771 CB LYS A 117 -10.227 -13.128 -0.913 1.00 0.00 C ATOM 1772 CG LYS A 117 -9.843 -14.507 -1.426 1.00 0.00 C ATOM 1773 CD LYS A 117 -9.724 -15.510 -0.290 1.00 0.00 C ATOM 1774 CE LYS A 117 -11.086 -16.033 0.138 1.00 0.00 C ATOM 1775 NZ LYS A 117 -10.998 -16.874 1.363 1.00 0.00 N ATOM 0 H LYS A 117 -8.420 -11.567 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.671 -12.597 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.463 -12.783 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.158 -13.204 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.590 -14.852 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.895 -14.447 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.095 -16.343 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.230 -15.041 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.756 -15.193 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.522 -16.617 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.947 -17.211 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.379 -17.690 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.606 -16.310 2.144 1.00 0.00 H new ATOM 1789 N TYR A 118 -11.150 -10.033 -0.977 1.00 0.00 N ATOM 1790 CA TYR A 118 -12.121 -9.025 -0.569 1.00 0.00 C ATOM 1791 C TYR A 118 -12.803 -8.402 -1.784 1.00 0.00 C ATOM 1792 O TYR A 118 -13.955 -7.974 -1.710 1.00 0.00 O ATOM 1793 CB TYR A 118 -11.438 -7.937 0.264 1.00 0.00 C ATOM 1794 CG TYR A 118 -11.704 -8.053 1.748 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -12.996 -8.225 2.230 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -10.664 -7.989 2.667 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -13.243 -8.331 3.586 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -10.904 -8.095 4.024 1.00 0.00 C ATOM 1799 CZ TYR A 118 -12.194 -8.266 4.478 1.00 0.00 C ATOM 1800 OH TYR A 118 -12.437 -8.371 5.829 1.00 0.00 O ATOM 0 H TYR A 118 -10.190 -9.833 -0.695 1.00 0.00 H new ATOM 0 HA TYR A 118 -12.882 -9.514 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -10.363 -7.981 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -11.777 -6.960 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -13.820 -8.277 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -9.652 -7.854 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -14.253 -8.464 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.084 -8.044 4.725 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.591 -8.306 6.320 1.00 0.00 H new