USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.152 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -174:sc= 0.38 USER MOD Single : A 17 ASN : amide:sc= -0.0822 K(o=-0.082,f=-2.2!) USER MOD Single : A 24 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.083) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.21 K(o=-2.2,f=-5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc=-0.00796 X(o=-0.008,f=-0.25) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0217) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.000647 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -21:sc= 0.369 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= -0.964 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.526 3.084 1.326 1.00 0.00 N ATOM 109 CA THR A 11 2.642 2.708 -0.077 1.00 0.00 C ATOM 110 C THR A 11 2.930 1.218 -0.225 1.00 0.00 C ATOM 111 O THR A 11 2.240 0.513 -0.962 1.00 0.00 O ATOM 112 CB THR A 11 3.755 3.507 -0.782 1.00 0.00 C ATOM 113 OG1 THR A 11 3.563 4.909 -0.566 1.00 0.00 O ATOM 114 CG2 THR A 11 3.766 3.216 -2.276 1.00 0.00 C ATOM 0 HA THR A 11 1.686 2.939 -0.546 1.00 0.00 H new ATOM 0 HB THR A 11 4.713 3.203 -0.361 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.090 5.048 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.560 3.791 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.941 2.152 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.805 3.496 -2.708 1.00 0.00 H new ATOM 122 N ASP A 12 3.952 0.745 0.479 1.00 0.00 N ATOM 123 CA ASP A 12 4.330 -0.662 0.427 1.00 0.00 C ATOM 124 C ASP A 12 3.756 -1.423 1.619 1.00 0.00 C ATOM 125 O ASP A 12 3.267 -2.544 1.476 1.00 0.00 O ATOM 126 CB ASP A 12 5.853 -0.803 0.402 1.00 0.00 C ATOM 127 CG ASP A 12 6.448 -0.415 -0.938 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.130 0.687 -1.431 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.231 -1.214 -1.493 1.00 0.00 O ATOM 0 H ASP A 12 4.534 1.315 1.093 1.00 0.00 H new ATOM 0 HA ASP A 12 3.918 -1.090 -0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.286 -0.178 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.124 -1.834 0.632 1.00 0.00 H new ATOM 134 N LYS A 13 3.821 -0.808 2.794 1.00 0.00 N ATOM 135 CA LYS A 13 3.309 -1.426 4.011 1.00 0.00 C ATOM 136 C LYS A 13 1.879 -1.918 3.811 1.00 0.00 C ATOM 137 O LYS A 13 1.517 -3.003 4.265 1.00 0.00 O ATOM 138 CB LYS A 13 3.358 -0.430 5.173 1.00 0.00 C ATOM 139 CG LYS A 13 3.050 -1.055 6.523 1.00 0.00 C ATOM 140 CD LYS A 13 2.680 -0.001 7.553 1.00 0.00 C ATOM 141 CE LYS A 13 3.917 0.620 8.183 1.00 0.00 C ATOM 142 NZ LYS A 13 3.593 1.348 9.441 1.00 0.00 N ATOM 0 H LYS A 13 4.224 0.119 2.930 1.00 0.00 H new ATOM 0 HA LYS A 13 3.940 -2.283 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.348 0.024 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.646 0.373 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.230 -1.766 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.917 -1.617 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.081 0.777 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.062 -0.451 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.648 -0.161 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.379 1.307 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.462 1.757 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.915 2.109 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.175 0.687 10.127 1.00 0.00 H new ATOM 156 N ALA A 14 1.071 -1.115 3.127 1.00 0.00 N ATOM 157 CA ALA A 14 -0.317 -1.471 2.864 1.00 0.00 C ATOM 158 C ALA A 14 -0.408 -2.706 1.974 1.00 0.00 C ATOM 159 O ALA A 14 -1.046 -3.697 2.332 1.00 0.00 O ATOM 160 CB ALA A 14 -1.050 -0.302 2.223 1.00 0.00 C ATOM 0 H ALA A 14 1.354 -0.213 2.745 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.792 -1.705 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.086 -0.583 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.024 0.556 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.566 -0.041 1.282 1.00 0.00 H new ATOM 166 N LEU A 15 0.234 -2.642 0.813 1.00 0.00 N ATOM 167 CA LEU A 15 0.226 -3.755 -0.129 1.00 0.00 C ATOM 168 C LEU A 15 0.519 -5.072 0.582 1.00 0.00 C ATOM 169 O LEU A 15 -0.168 -6.071 0.369 1.00 0.00 O ATOM 170 CB LEU A 15 1.255 -3.520 -1.236 1.00 0.00 C ATOM 171 CG LEU A 15 1.127 -2.203 -2.003 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.324 -2.000 -2.918 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.168 -2.175 -2.802 1.00 0.00 C ATOM 0 H LEU A 15 0.767 -1.830 0.501 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.768 -3.816 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.251 -3.565 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.185 -4.341 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 15 1.104 -1.386 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.215 -1.058 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.237 -1.975 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.379 -2.821 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.242 -1.231 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.174 -3.001 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.016 -2.273 -2.124 1.00 0.00 H new ATOM 185 N TYR A 16 1.543 -5.066 1.429 1.00 0.00 N ATOM 186 CA TYR A 16 1.927 -6.260 2.172 1.00 0.00 C ATOM 187 C TYR A 16 0.706 -6.935 2.789 1.00 0.00 C ATOM 188 O TYR A 16 0.510 -8.140 2.646 1.00 0.00 O ATOM 189 CB TYR A 16 2.935 -5.903 3.266 1.00 0.00 C ATOM 190 CG TYR A 16 3.836 -7.052 3.657 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.530 -7.775 2.695 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.993 -7.416 4.989 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.355 -8.826 3.047 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.816 -8.465 5.351 1.00 0.00 C ATOM 195 CZ TYR A 16 5.495 -9.167 4.377 1.00 0.00 C ATOM 196 OH TYR A 16 6.314 -10.213 4.733 1.00 0.00 O ATOM 0 H TYR A 16 2.122 -4.247 1.618 1.00 0.00 H new ATOM 0 HA TYR A 16 2.390 -6.958 1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.550 -5.070 2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.395 -5.559 4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.423 -7.511 1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.462 -6.869 5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.887 -9.377 2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.927 -8.734 6.391 1.00 0.00 H new ATOM 0 HH TYR A 16 6.234 -10.378 5.696 1.00 0.00 H new ATOM 206 N ASN A 17 -0.113 -6.145 3.477 1.00 0.00 N ATOM 207 CA ASN A 17 -1.316 -6.664 4.118 1.00 0.00 C ATOM 208 C ASN A 17 -2.118 -7.528 3.149 1.00 0.00 C ATOM 209 O ASN A 17 -2.457 -8.671 3.456 1.00 0.00 O ATOM 210 CB ASN A 17 -2.183 -5.513 4.630 1.00 0.00 C ATOM 211 CG ASN A 17 -1.559 -4.802 5.816 1.00 0.00 C ATOM 212 OD1 ASN A 17 -0.342 -4.821 5.994 1.00 0.00 O ATOM 213 ND2 ASN A 17 -2.394 -4.171 6.633 1.00 0.00 N ATOM 0 H ASN A 17 0.035 -5.144 3.605 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.011 -7.283 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.344 -4.797 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.162 -5.898 4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.033 -3.675 7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.397 -4.182 6.446 1.00 0.00 H new ATOM 220 N ARG A 18 -2.418 -6.974 1.979 1.00 0.00 N ATOM 221 CA ARG A 18 -3.180 -7.693 0.966 1.00 0.00 C ATOM 222 C ARG A 18 -2.446 -8.957 0.529 1.00 0.00 C ATOM 223 O ARG A 18 -3.022 -10.046 0.507 1.00 0.00 O ATOM 224 CB ARG A 18 -3.434 -6.794 -0.245 1.00 0.00 C ATOM 225 CG ARG A 18 -4.591 -5.826 -0.053 1.00 0.00 C ATOM 226 CD ARG A 18 -4.542 -4.692 -1.065 1.00 0.00 C ATOM 227 NE ARG A 18 -4.636 -5.179 -2.438 1.00 0.00 N ATOM 228 CZ ARG A 18 -4.185 -4.505 -3.490 1.00 0.00 C ATOM 229 NH1 ARG A 18 -3.611 -3.321 -3.326 1.00 0.00 N ATOM 230 NH2 ARG A 18 -4.307 -5.015 -4.709 1.00 0.00 N ATOM 0 H ARG A 18 -2.145 -6.029 1.709 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.136 -7.981 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.529 -6.227 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.635 -7.419 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.535 -6.362 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.560 -5.416 0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.359 -3.997 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.613 -4.135 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.072 -6.087 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.515 -2.926 -2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.265 -2.805 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.748 -5.926 -4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.960 -4.496 -5.516 1.00 0.00 H new ATOM 244 N LEU A 19 -1.173 -8.806 0.181 1.00 0.00 N ATOM 245 CA LEU A 19 -0.360 -9.935 -0.256 1.00 0.00 C ATOM 246 C LEU A 19 -0.495 -11.109 0.708 1.00 0.00 C ATOM 247 O LEU A 19 -0.641 -12.257 0.288 1.00 0.00 O ATOM 248 CB LEU A 19 1.108 -9.519 -0.368 1.00 0.00 C ATOM 249 CG LEU A 19 1.473 -8.668 -1.585 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.820 -7.992 -1.379 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.490 -9.521 -2.846 1.00 0.00 C ATOM 0 H LEU A 19 -0.681 -7.912 0.193 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.718 -10.250 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.378 -8.966 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.720 -10.421 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 19 0.715 -7.894 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.063 -7.391 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.774 -7.350 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.589 -8.750 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.752 -8.899 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.227 -10.317 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.504 -9.958 -3.003 1.00 0.00 H new ATOM 263 N VAL A 20 -0.448 -10.814 2.003 1.00 0.00 N ATOM 264 CA VAL A 20 -0.569 -11.844 3.027 1.00 0.00 C ATOM 265 C VAL A 20 -1.874 -11.700 3.801 1.00 0.00 C ATOM 266 O VAL A 20 -1.916 -11.150 4.902 1.00 0.00 O ATOM 267 CB VAL A 20 0.610 -11.791 4.018 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.439 -12.839 5.107 1.00 0.00 C ATOM 269 CG2 VAL A 20 1.930 -11.982 3.285 1.00 0.00 C ATOM 0 H VAL A 20 -0.327 -9.869 2.368 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.560 -12.804 2.512 1.00 0.00 H new ATOM 0 HB VAL A 20 0.622 -10.809 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.281 -12.787 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.488 -12.652 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.401 -13.830 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.752 -11.942 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.931 -12.950 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.053 -11.191 2.545 1.00 0.00 H new ATOM 279 N PRO A 21 -2.969 -12.205 3.213 1.00 0.00 N ATOM 280 CA PRO A 21 -4.298 -12.146 3.830 1.00 0.00 C ATOM 281 C PRO A 21 -4.412 -13.056 5.048 1.00 0.00 C ATOM 282 O PRO A 21 -3.585 -13.945 5.252 1.00 0.00 O ATOM 283 CB PRO A 21 -5.228 -12.628 2.714 1.00 0.00 C ATOM 284 CG PRO A 21 -4.369 -13.480 1.845 1.00 0.00 C ATOM 285 CD PRO A 21 -2.994 -12.874 1.901 1.00 0.00 C ATOM 0 HA PRO A 21 -4.533 -11.147 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.068 -13.194 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.646 -11.789 2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.356 -14.511 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.746 -13.499 0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.216 -13.634 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.833 -12.168 1.087 1.00 0.00 H new ATOM 293 N LEU A 22 -5.442 -12.828 5.855 1.00 0.00 N ATOM 294 CA LEU A 22 -5.666 -13.628 7.055 1.00 0.00 C ATOM 295 C LEU A 22 -7.039 -14.290 7.020 1.00 0.00 C ATOM 296 O LEU A 22 -8.039 -13.690 7.416 1.00 0.00 O ATOM 297 CB LEU A 22 -5.538 -12.756 8.305 1.00 0.00 C ATOM 298 CG LEU A 22 -5.255 -13.494 9.613 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.946 -14.262 9.520 1.00 0.00 C ATOM 300 CD2 LEU A 22 -5.221 -12.518 10.780 1.00 0.00 C ATOM 0 H LEU A 22 -6.135 -12.096 5.701 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.908 -14.410 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.739 -12.033 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.461 -12.189 8.424 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.060 -14.208 9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.761 -14.781 10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.007 -14.989 8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.130 -13.567 9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.018 -13.061 11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.437 -11.779 10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.184 -12.013 10.860 1.00 0.00 H new ATOM 312 N VAL A 23 -7.081 -15.531 6.545 1.00 0.00 N ATOM 313 CA VAL A 23 -8.332 -16.276 6.462 1.00 0.00 C ATOM 314 C VAL A 23 -8.394 -17.366 7.526 1.00 0.00 C ATOM 315 O VAL A 23 -9.428 -17.570 8.160 1.00 0.00 O ATOM 316 CB VAL A 23 -8.511 -16.918 5.074 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.564 -15.848 3.993 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.392 -17.911 4.798 1.00 0.00 C ATOM 0 H VAL A 23 -6.263 -16.042 6.212 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.138 -15.562 6.631 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.457 -17.459 5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.691 -16.321 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.403 -15.179 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.636 -15.277 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.534 -18.355 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.432 -17.395 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.406 -18.695 5.555 1.00 0.00 H new ATOM 328 N ASN A 24 -7.279 -18.064 7.716 1.00 0.00 N ATOM 329 CA ASN A 24 -7.207 -19.134 8.704 1.00 0.00 C ATOM 330 C ASN A 24 -6.579 -18.635 10.002 1.00 0.00 C ATOM 331 O ASN A 24 -5.762 -19.322 10.614 1.00 0.00 O ATOM 332 CB ASN A 24 -6.398 -20.311 8.154 1.00 0.00 C ATOM 333 CG ASN A 24 -7.175 -21.117 7.130 1.00 0.00 C ATOM 334 OD1 ASN A 24 -6.779 -21.212 5.969 1.00 0.00 O ATOM 335 ND2 ASN A 24 -8.287 -21.702 7.559 1.00 0.00 N ATOM 0 H ASN A 24 -6.414 -17.908 7.199 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.223 -19.467 8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.481 -19.937 7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.103 -20.962 8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.851 -22.258 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.577 -21.596 8.531 1.00 0.00 H new ATOM 342 N GLY A 25 -6.968 -17.433 10.418 1.00 0.00 N ATOM 343 CA GLY A 25 -6.435 -16.862 11.640 1.00 0.00 C ATOM 344 C GLY A 25 -4.941 -17.077 11.777 1.00 0.00 C ATOM 345 O GLY A 25 -4.444 -17.360 12.868 1.00 0.00 O ATOM 0 H GLY A 25 -7.643 -16.845 9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.649 -15.793 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.943 -17.306 12.496 1.00 0.00 H new ATOM 349 N VAL A 26 -4.221 -16.945 10.667 1.00 0.00 N ATOM 350 CA VAL A 26 -2.775 -17.128 10.668 1.00 0.00 C ATOM 351 C VAL A 26 -2.155 -16.612 9.374 1.00 0.00 C ATOM 352 O VAL A 26 -2.531 -17.037 8.281 1.00 0.00 O ATOM 353 CB VAL A 26 -2.396 -18.610 10.850 1.00 0.00 C ATOM 354 CG1 VAL A 26 -3.046 -19.464 9.772 1.00 0.00 C ATOM 355 CG2 VAL A 26 -0.885 -18.779 10.837 1.00 0.00 C ATOM 0 H VAL A 26 -4.616 -16.712 9.756 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.385 -16.555 11.509 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.767 -18.946 11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.767 -20.508 9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.130 -19.366 9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.708 -19.131 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.636 -19.832 10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.488 -18.427 9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.447 -18.200 11.650 1.00 0.00 H new ATOM 365 N ARG A 27 -1.203 -15.694 9.505 1.00 0.00 N ATOM 366 CA ARG A 27 -0.531 -15.119 8.346 1.00 0.00 C ATOM 367 C ARG A 27 0.567 -16.049 7.838 1.00 0.00 C ATOM 368 O ARG A 27 1.521 -16.347 8.555 1.00 0.00 O ATOM 369 CB ARG A 27 0.063 -13.755 8.699 1.00 0.00 C ATOM 370 CG ARG A 27 -0.981 -12.709 9.054 1.00 0.00 C ATOM 371 CD ARG A 27 -0.345 -11.351 9.307 1.00 0.00 C ATOM 372 NE ARG A 27 -1.343 -10.326 9.602 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.037 -9.095 9.997 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.231 -8.738 10.144 1.00 0.00 N ATOM 375 NH2 ARG A 27 -2.001 -8.218 10.247 1.00 0.00 N ATOM 0 H ARG A 27 -0.880 -15.332 10.402 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.270 -14.991 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.747 -13.873 9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.653 -13.396 7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.706 -12.627 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.529 -13.026 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.354 -11.427 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.233 -11.053 8.433 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.328 -10.569 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.975 -9.409 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.463 -7.792 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.978 -8.489 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.765 -7.273 10.550 1.00 0.00 H new ATOM 389 N GLU A 28 0.424 -16.503 6.597 1.00 0.00 N ATOM 390 CA GLU A 28 1.403 -17.400 5.994 1.00 0.00 C ATOM 391 C GLU A 28 1.421 -17.244 4.476 1.00 0.00 C ATOM 392 O GLU A 28 0.424 -16.854 3.869 1.00 0.00 O ATOM 393 CB GLU A 28 1.095 -18.852 6.365 1.00 0.00 C ATOM 394 CG GLU A 28 1.665 -19.270 7.710 1.00 0.00 C ATOM 395 CD GLU A 28 3.163 -19.058 7.800 1.00 0.00 C ATOM 396 OE1 GLU A 28 3.888 -19.570 6.921 1.00 0.00 O ATOM 397 OE2 GLU A 28 3.611 -18.381 8.749 1.00 0.00 O ATOM 0 H GLU A 28 -0.360 -16.265 5.990 1.00 0.00 H new ATOM 0 HA GLU A 28 2.387 -17.135 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.014 -18.994 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.493 -19.508 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.174 -18.703 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.440 -20.322 7.885 1.00 0.00 H new ATOM 404 N PHE A 29 2.563 -17.553 3.869 1.00 0.00 N ATOM 405 CA PHE A 29 2.713 -17.446 2.423 1.00 0.00 C ATOM 406 C PHE A 29 2.184 -18.697 1.728 1.00 0.00 C ATOM 407 O PHE A 29 1.733 -19.639 2.380 1.00 0.00 O ATOM 408 CB PHE A 29 4.182 -17.228 2.056 1.00 0.00 C ATOM 409 CG PHE A 29 4.677 -15.843 2.362 1.00 0.00 C ATOM 410 CD1 PHE A 29 3.948 -14.731 1.973 1.00 0.00 C ATOM 411 CD2 PHE A 29 5.871 -15.653 3.038 1.00 0.00 C ATOM 412 CE1 PHE A 29 4.400 -13.455 2.253 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.328 -14.380 3.322 1.00 0.00 C ATOM 414 CZ PHE A 29 5.592 -13.279 2.927 1.00 0.00 C ATOM 0 H PHE A 29 3.397 -17.879 4.357 1.00 0.00 H new ATOM 0 HA PHE A 29 2.130 -16.589 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.794 -17.951 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.316 -17.426 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.015 -14.863 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.452 -16.510 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.821 -12.597 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.259 -14.246 3.852 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.948 -12.283 3.145 1.00 0.00 H new ATOM 424 N SER A 30 2.243 -18.699 0.400 1.00 0.00 N ATOM 425 CA SER A 30 1.767 -19.831 -0.385 1.00 0.00 C ATOM 426 C SER A 30 2.838 -20.303 -1.364 1.00 0.00 C ATOM 427 O SER A 30 3.800 -19.587 -1.639 1.00 0.00 O ATOM 428 CB SER A 30 0.495 -19.452 -1.147 1.00 0.00 C ATOM 429 OG SER A 30 -0.650 -19.579 -0.322 1.00 0.00 O ATOM 0 H SER A 30 2.616 -17.929 -0.155 1.00 0.00 H new ATOM 0 HA SER A 30 1.542 -20.647 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.575 -18.427 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.388 -20.091 -2.024 1.00 0.00 H new ATOM 0 HG SER A 30 -1.449 -19.330 -0.831 1.00 0.00 H new ATOM 435 N GLU A 31 2.661 -21.513 -1.887 1.00 0.00 N ATOM 436 CA GLU A 31 3.613 -22.080 -2.835 1.00 0.00 C ATOM 437 C GLU A 31 3.984 -21.062 -3.910 1.00 0.00 C ATOM 438 O GLU A 31 5.090 -21.089 -4.449 1.00 0.00 O ATOM 439 CB GLU A 31 3.031 -23.337 -3.486 1.00 0.00 C ATOM 440 CG GLU A 31 1.935 -23.046 -4.497 1.00 0.00 C ATOM 441 CD GLU A 31 1.685 -24.209 -5.438 1.00 0.00 C ATOM 442 OE1 GLU A 31 2.621 -24.588 -6.172 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.555 -24.739 -5.440 1.00 0.00 O ATOM 0 H GLU A 31 1.869 -22.118 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 31 4.516 -22.348 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.833 -23.885 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.633 -23.988 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.012 -22.807 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.207 -22.165 -5.078 1.00 0.00 H new ATOM 450 N ILE A 32 3.050 -20.168 -4.216 1.00 0.00 N ATOM 451 CA ILE A 32 3.278 -19.141 -5.225 1.00 0.00 C ATOM 452 C ILE A 32 4.186 -18.038 -4.692 1.00 0.00 C ATOM 453 O ILE A 32 5.275 -17.810 -5.217 1.00 0.00 O ATOM 454 CB ILE A 32 1.954 -18.516 -5.702 1.00 0.00 C ATOM 455 CG1 ILE A 32 1.036 -19.593 -6.283 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.222 -17.429 -6.731 1.00 0.00 C ATOM 457 CD1 ILE A 32 0.124 -20.228 -5.257 1.00 0.00 C ATOM 0 H ILE A 32 2.129 -20.134 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 32 3.763 -19.631 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 32 1.454 -18.063 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.429 -19.153 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.647 -20.369 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.276 -16.997 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.842 -16.651 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.740 -17.859 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.498 -20.982 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.724 -20.698 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.513 -19.463 -4.813 1.00 0.00 H new ATOM 469 N GLN A 33 3.729 -17.358 -3.645 1.00 0.00 N ATOM 470 CA GLN A 33 4.501 -16.279 -3.040 1.00 0.00 C ATOM 471 C GLN A 33 5.941 -16.714 -2.790 1.00 0.00 C ATOM 472 O GLN A 33 6.885 -16.022 -3.175 1.00 0.00 O ATOM 473 CB GLN A 33 3.854 -15.836 -1.726 1.00 0.00 C ATOM 474 CG GLN A 33 2.546 -15.085 -1.915 1.00 0.00 C ATOM 475 CD GLN A 33 1.856 -14.776 -0.601 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.452 -15.682 0.129 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.716 -13.492 -0.292 1.00 0.00 N ATOM 0 H GLN A 33 2.829 -17.535 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 33 4.510 -15.439 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.673 -16.714 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.553 -15.200 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.740 -14.154 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.879 -15.677 -2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.066 -12.774 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.259 -13.224 0.580 1.00 0.00 H new ATOM 486 N LEU A 34 6.103 -17.862 -2.144 1.00 0.00 N ATOM 487 CA LEU A 34 7.430 -18.390 -1.842 1.00 0.00 C ATOM 488 C LEU A 34 8.284 -18.469 -3.103 1.00 0.00 C ATOM 489 O LEU A 34 9.288 -17.768 -3.230 1.00 0.00 O ATOM 490 CB LEU A 34 7.316 -19.774 -1.202 1.00 0.00 C ATOM 491 CG LEU A 34 6.346 -19.893 -0.026 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.761 -21.295 0.045 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.043 -19.537 1.279 1.00 0.00 C ATOM 0 H LEU A 34 5.333 -18.446 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 34 7.913 -17.711 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.011 -20.484 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.306 -20.078 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 34 5.529 -19.189 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.073 -21.360 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.224 -21.513 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.565 -22.019 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.337 -19.627 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.880 -20.216 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.411 -18.512 1.227 1.00 0.00 H new ATOM 505 N SER A 35 7.878 -19.325 -4.035 1.00 0.00 N ATOM 506 CA SER A 35 8.607 -19.497 -5.286 1.00 0.00 C ATOM 507 C SER A 35 9.117 -18.156 -5.806 1.00 0.00 C ATOM 508 O SER A 35 10.205 -18.073 -6.375 1.00 0.00 O ATOM 509 CB SER A 35 7.711 -20.157 -6.336 1.00 0.00 C ATOM 510 OG SER A 35 8.484 -20.807 -7.330 1.00 0.00 O ATOM 0 H SER A 35 7.048 -19.911 -3.947 1.00 0.00 H new ATOM 0 HA SER A 35 9.464 -20.142 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.051 -20.879 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.074 -19.404 -6.801 1.00 0.00 H new ATOM 0 HG SER A 35 7.888 -21.222 -7.988 1.00 0.00 H new ATOM 516 N ARG A 36 8.322 -17.110 -5.605 1.00 0.00 N ATOM 517 CA ARG A 36 8.692 -15.773 -6.054 1.00 0.00 C ATOM 518 C ARG A 36 9.694 -15.135 -5.096 1.00 0.00 C ATOM 519 O ARG A 36 10.617 -14.439 -5.520 1.00 0.00 O ATOM 520 CB ARG A 36 7.448 -14.890 -6.172 1.00 0.00 C ATOM 521 CG ARG A 36 6.397 -15.441 -7.120 1.00 0.00 C ATOM 522 CD ARG A 36 5.492 -14.340 -7.650 1.00 0.00 C ATOM 523 NE ARG A 36 4.911 -14.685 -8.945 1.00 0.00 N ATOM 524 CZ ARG A 36 3.782 -14.158 -9.407 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.118 -13.267 -8.685 1.00 0.00 N ATOM 526 NH2 ARG A 36 3.317 -14.523 -10.595 1.00 0.00 N ATOM 0 H ARG A 36 7.418 -17.162 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 36 9.160 -15.862 -7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.005 -14.768 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.748 -13.899 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.886 -15.944 -7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.797 -16.190 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.693 -14.151 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.062 -13.416 -7.743 1.00 0.00 H new ATOM 0 HE ARG A 36 5.398 -15.367 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.473 -12.984 -7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.252 -12.864 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.826 -15.208 -11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.450 -14.119 -10.950 1.00 0.00 H new ATOM 540 N LEU A 37 9.505 -15.378 -3.804 1.00 0.00 N ATOM 541 CA LEU A 37 10.392 -14.827 -2.785 1.00 0.00 C ATOM 542 C LEU A 37 11.836 -15.251 -3.032 1.00 0.00 C ATOM 543 O LEU A 37 12.756 -14.439 -2.948 1.00 0.00 O ATOM 544 CB LEU A 37 9.946 -15.281 -1.394 1.00 0.00 C ATOM 545 CG LEU A 37 8.800 -14.487 -0.764 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.090 -15.321 0.291 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.319 -13.190 -0.161 1.00 0.00 C ATOM 0 H LEU A 37 8.746 -15.952 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 37 10.338 -13.740 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.647 -16.327 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.805 -15.233 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 37 8.082 -14.239 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.278 -14.740 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.685 -16.222 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.798 -15.600 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.490 -12.638 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.058 -13.416 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.781 -12.585 -0.941 1.00 0.00 H new ATOM 559 N LYS A 38 12.026 -16.530 -3.340 1.00 0.00 N ATOM 560 CA LYS A 38 13.358 -17.063 -3.604 1.00 0.00 C ATOM 561 C LYS A 38 13.996 -16.365 -4.800 1.00 0.00 C ATOM 562 O LYS A 38 15.144 -15.924 -4.735 1.00 0.00 O ATOM 563 CB LYS A 38 13.284 -18.570 -3.859 1.00 0.00 C ATOM 564 CG LYS A 38 13.262 -19.402 -2.588 1.00 0.00 C ATOM 565 CD LYS A 38 13.033 -20.874 -2.889 1.00 0.00 C ATOM 566 CE LYS A 38 14.327 -21.570 -3.281 1.00 0.00 C ATOM 567 NZ LYS A 38 14.090 -22.972 -3.725 1.00 0.00 N ATOM 0 H LYS A 38 11.275 -17.216 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 38 13.977 -16.879 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.389 -18.788 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.139 -18.870 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.206 -19.281 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.475 -19.038 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.606 -21.363 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.307 -20.973 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.811 -21.012 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.012 -21.568 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.996 -23.412 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.651 -23.512 -2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.457 -22.973 -4.550 1.00 0.00 H new ATOM 581 N LYS A 39 13.246 -16.266 -5.892 1.00 0.00 N ATOM 582 CA LYS A 39 13.737 -15.618 -7.102 1.00 0.00 C ATOM 583 C LYS A 39 14.340 -14.254 -6.783 1.00 0.00 C ATOM 584 O LYS A 39 15.458 -13.946 -7.199 1.00 0.00 O ATOM 585 CB LYS A 39 12.602 -15.461 -8.117 1.00 0.00 C ATOM 586 CG LYS A 39 12.226 -16.757 -8.814 1.00 0.00 C ATOM 587 CD LYS A 39 10.758 -16.773 -9.208 1.00 0.00 C ATOM 588 CE LYS A 39 10.483 -17.805 -10.291 1.00 0.00 C ATOM 589 NZ LYS A 39 9.026 -17.950 -10.561 1.00 0.00 N ATOM 0 H LYS A 39 12.295 -16.627 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 39 14.516 -16.248 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.724 -15.064 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.896 -14.727 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.844 -16.886 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.436 -17.600 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.147 -16.992 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.464 -15.785 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.995 -17.514 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.894 -18.768 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.880 -18.662 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.540 -18.252 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.639 -17.037 -10.875 1.00 0.00 H new ATOM 603 N LEU A 40 13.595 -13.441 -6.043 1.00 0.00 N ATOM 604 CA LEU A 40 14.057 -12.110 -5.666 1.00 0.00 C ATOM 605 C LEU A 40 15.309 -12.193 -4.799 1.00 0.00 C ATOM 606 O LEU A 40 16.161 -11.306 -4.834 1.00 0.00 O ATOM 607 CB LEU A 40 12.954 -11.358 -4.919 1.00 0.00 C ATOM 608 CG LEU A 40 11.650 -11.142 -5.687 1.00 0.00 C ATOM 609 CD1 LEU A 40 10.551 -10.666 -4.750 1.00 0.00 C ATOM 610 CD2 LEU A 40 11.856 -10.147 -6.820 1.00 0.00 C ATOM 0 H LEU A 40 12.668 -13.680 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 40 14.305 -11.567 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.727 -11.903 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.343 -10.384 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 40 11.343 -12.095 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.630 -10.518 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.385 -11.414 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.849 -9.725 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.917 -10.006 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.187 -9.193 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.611 -10.529 -7.507 1.00 0.00 H new ATOM 622 N GLY A 41 15.415 -13.267 -4.023 1.00 0.00 N ATOM 623 CA GLY A 41 16.567 -13.448 -3.159 1.00 0.00 C ATOM 624 C GLY A 41 16.207 -13.369 -1.689 1.00 0.00 C ATOM 625 O GLY A 41 17.064 -13.097 -0.847 1.00 0.00 O ATOM 0 H GLY A 41 14.723 -14.015 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.024 -14.415 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.313 -12.687 -3.389 1.00 0.00 H new ATOM 629 N ILE A 42 14.937 -13.605 -1.378 1.00 0.00 N ATOM 630 CA ILE A 42 14.467 -13.558 0.001 1.00 0.00 C ATOM 631 C ILE A 42 14.266 -14.962 0.561 1.00 0.00 C ATOM 632 O ILE A 42 13.241 -15.599 0.316 1.00 0.00 O ATOM 633 CB ILE A 42 13.145 -12.777 0.118 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.324 -11.348 -0.400 1.00 0.00 C ATOM 635 CG2 ILE A 42 12.663 -12.766 1.561 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.029 -10.696 -0.832 1.00 0.00 C ATOM 0 H ILE A 42 14.215 -13.831 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 42 15.235 -13.045 0.579 1.00 0.00 H new ATOM 0 HB ILE A 42 12.391 -13.273 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 42 13.784 -10.742 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.015 -11.359 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 42 11.728 -12.210 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.502 -13.790 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.414 -12.290 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.231 -9.686 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.578 -11.280 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.344 -10.652 0.014 1.00 0.00 H new ATOM 648 N HIS A 43 15.251 -15.439 1.315 1.00 0.00 N ATOM 649 CA HIS A 43 15.182 -16.768 1.913 1.00 0.00 C ATOM 650 C HIS A 43 14.457 -16.722 3.255 1.00 0.00 C ATOM 651 O HIS A 43 15.075 -16.859 4.311 1.00 0.00 O ATOM 652 CB HIS A 43 16.587 -17.341 2.098 1.00 0.00 C ATOM 653 CG HIS A 43 17.185 -17.879 0.835 1.00 0.00 C ATOM 654 ND1 HIS A 43 17.081 -17.236 -0.381 1.00 0.00 N ATOM 655 CD2 HIS A 43 17.899 -19.005 0.603 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.703 -17.945 -1.306 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.209 -19.023 -0.735 1.00 0.00 N ATOM 0 H HIS A 43 16.106 -14.925 1.527 1.00 0.00 H new ATOM 0 HA HIS A 43 14.621 -17.415 1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.238 -16.563 2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.551 -18.137 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.174 -19.751 1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.784 -17.687 -2.352 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.743 -19.751 -1.210 1.00 0.00 H new ATOM 666 N LYS A 44 13.144 -16.529 3.207 1.00 0.00 N ATOM 667 CA LYS A 44 12.334 -16.466 4.418 1.00 0.00 C ATOM 668 C LYS A 44 10.920 -16.975 4.154 1.00 0.00 C ATOM 669 O LYS A 44 10.393 -16.833 3.050 1.00 0.00 O ATOM 670 CB LYS A 44 12.280 -15.030 4.946 1.00 0.00 C ATOM 671 CG LYS A 44 13.402 -14.696 5.914 1.00 0.00 C ATOM 672 CD LYS A 44 13.596 -13.195 6.046 1.00 0.00 C ATOM 673 CE LYS A 44 14.600 -12.672 5.029 1.00 0.00 C ATOM 674 NZ LYS A 44 16.001 -12.988 5.419 1.00 0.00 N ATOM 0 H LYS A 44 12.617 -16.413 2.341 1.00 0.00 H new ATOM 0 HA LYS A 44 12.798 -17.106 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.321 -14.340 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.323 -14.870 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.179 -15.122 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.329 -15.155 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.640 -12.690 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.939 -12.958 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.388 -13.108 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.486 -11.593 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.658 -12.515 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.175 -12.654 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.150 -14.016 5.375 1.00 0.00 H new ATOM 688 N THR A 45 10.310 -17.568 5.176 1.00 0.00 N ATOM 689 CA THR A 45 8.957 -18.098 5.054 1.00 0.00 C ATOM 690 C THR A 45 7.977 -17.301 5.907 1.00 0.00 C ATOM 691 O THR A 45 6.880 -16.965 5.459 1.00 0.00 O ATOM 692 CB THR A 45 8.895 -19.580 5.470 1.00 0.00 C ATOM 693 OG1 THR A 45 9.401 -19.737 6.800 1.00 0.00 O ATOM 694 CG2 THR A 45 9.699 -20.445 4.511 1.00 0.00 C ATOM 0 H THR A 45 10.731 -17.693 6.097 1.00 0.00 H new ATOM 0 HA THR A 45 8.676 -18.011 4.004 1.00 0.00 H new ATOM 0 HB THR A 45 7.854 -19.900 5.438 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.357 -20.682 7.058 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.641 -21.487 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.293 -20.346 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.740 -20.123 4.516 1.00 0.00 H new ATOM 702 N ASP A 46 8.378 -17.001 7.137 1.00 0.00 N ATOM 703 CA ASP A 46 7.534 -16.242 8.053 1.00 0.00 C ATOM 704 C ASP A 46 7.274 -14.838 7.515 1.00 0.00 C ATOM 705 O ASP A 46 8.177 -14.156 7.028 1.00 0.00 O ATOM 706 CB ASP A 46 8.187 -16.159 9.433 1.00 0.00 C ATOM 707 CG ASP A 46 7.881 -17.370 10.292 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.821 -18.489 9.740 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.701 -17.199 11.516 1.00 0.00 O ATOM 0 H ASP A 46 9.282 -17.272 7.523 1.00 0.00 H new ATOM 0 HA ASP A 46 6.580 -16.761 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.266 -16.064 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.841 -15.259 9.942 1.00 0.00 H new ATOM 714 N PRO A 47 6.011 -14.395 7.601 1.00 0.00 N ATOM 715 CA PRO A 47 5.603 -13.069 7.128 1.00 0.00 C ATOM 716 C PRO A 47 6.161 -11.946 7.996 1.00 0.00 C ATOM 717 O PRO A 47 5.967 -10.766 7.703 1.00 0.00 O ATOM 718 CB PRO A 47 4.076 -13.111 7.225 1.00 0.00 C ATOM 719 CG PRO A 47 3.792 -14.126 8.278 1.00 0.00 C ATOM 720 CD PRO A 47 4.884 -15.153 8.169 1.00 0.00 C ATOM 0 HA PRO A 47 5.974 -12.863 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.669 -12.136 7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.626 -13.392 6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.783 -13.669 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.813 -14.580 8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.135 -15.577 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.592 -15.982 7.525 1.00 0.00 H new ATOM 728 N SER A 48 6.855 -12.321 9.066 1.00 0.00 N ATOM 729 CA SER A 48 7.438 -11.345 9.980 1.00 0.00 C ATOM 730 C SER A 48 8.935 -11.194 9.730 1.00 0.00 C ATOM 731 O SER A 48 9.475 -10.088 9.767 1.00 0.00 O ATOM 732 CB SER A 48 7.191 -11.762 11.431 1.00 0.00 C ATOM 733 OG SER A 48 5.896 -11.377 11.859 1.00 0.00 O ATOM 0 H SER A 48 7.027 -13.293 9.321 1.00 0.00 H new ATOM 0 HA SER A 48 6.958 -10.383 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.303 -12.842 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.941 -11.306 12.077 1.00 0.00 H new ATOM 0 HG SER A 48 5.762 -11.656 12.789 1.00 0.00 H new ATOM 739 N THR A 49 9.602 -12.315 9.476 1.00 0.00 N ATOM 740 CA THR A 49 11.037 -12.310 9.221 1.00 0.00 C ATOM 741 C THR A 49 11.408 -11.252 8.188 1.00 0.00 C ATOM 742 O THR A 49 12.344 -10.476 8.388 1.00 0.00 O ATOM 743 CB THR A 49 11.526 -13.685 8.728 1.00 0.00 C ATOM 744 OG1 THR A 49 10.645 -14.183 7.714 1.00 0.00 O ATOM 745 CG2 THR A 49 11.597 -14.678 9.878 1.00 0.00 C ATOM 0 H THR A 49 9.171 -13.239 9.441 1.00 0.00 H new ATOM 0 HA THR A 49 11.525 -12.077 10.168 1.00 0.00 H new ATOM 0 HB THR A 49 12.526 -13.563 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.776 -13.735 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.945 -15.642 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.290 -14.310 10.634 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.607 -14.795 10.319 1.00 0.00 H new ATOM 753 N LEU A 50 10.669 -11.224 7.085 1.00 0.00 N ATOM 754 CA LEU A 50 10.920 -10.259 6.020 1.00 0.00 C ATOM 755 C LEU A 50 11.045 -8.847 6.583 1.00 0.00 C ATOM 756 O LEU A 50 10.139 -8.352 7.255 1.00 0.00 O ATOM 757 CB LEU A 50 9.797 -10.309 4.983 1.00 0.00 C ATOM 758 CG LEU A 50 9.973 -11.322 3.851 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.492 -12.698 4.285 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.229 -10.863 2.605 1.00 0.00 C ATOM 0 H LEU A 50 9.891 -11.858 6.904 1.00 0.00 H new ATOM 0 HA LEU A 50 11.862 -10.524 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.863 -10.530 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.692 -9.317 4.543 1.00 0.00 H new ATOM 0 HG LEU A 50 11.034 -11.390 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.625 -13.405 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.069 -13.030 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.436 -12.647 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.365 -11.596 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.167 -10.765 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.621 -9.899 2.281 1.00 0.00 H new ATOM 772 N THR A 51 12.173 -8.200 6.303 1.00 0.00 N ATOM 773 CA THR A 51 12.416 -6.845 6.780 1.00 0.00 C ATOM 774 C THR A 51 12.010 -5.813 5.734 1.00 0.00 C ATOM 775 O THR A 51 11.635 -6.164 4.616 1.00 0.00 O ATOM 776 CB THR A 51 13.897 -6.635 7.144 1.00 0.00 C ATOM 777 OG1 THR A 51 14.716 -6.802 5.981 1.00 0.00 O ATOM 778 CG2 THR A 51 14.334 -7.615 8.223 1.00 0.00 C ATOM 0 H THR A 51 12.933 -8.594 5.748 1.00 0.00 H new ATOM 0 HA THR A 51 11.807 -6.711 7.674 1.00 0.00 H new ATOM 0 HB THR A 51 14.013 -5.621 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.656 -6.665 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.384 -7.447 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.729 -7.466 9.117 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.203 -8.635 7.863 1.00 0.00 H new ATOM 786 N GLU A 52 12.089 -4.539 6.104 1.00 0.00 N ATOM 787 CA GLU A 52 11.729 -3.456 5.196 1.00 0.00 C ATOM 788 C GLU A 52 12.244 -3.734 3.787 1.00 0.00 C ATOM 789 O GLU A 52 11.531 -3.533 2.805 1.00 0.00 O ATOM 790 CB GLU A 52 12.293 -2.127 5.704 1.00 0.00 C ATOM 791 CG GLU A 52 13.801 -2.012 5.562 1.00 0.00 C ATOM 792 CD GLU A 52 14.382 -0.891 6.402 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.894 0.253 6.286 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.325 -1.158 7.177 1.00 0.00 O ATOM 0 H GLU A 52 12.399 -4.231 7.026 1.00 0.00 H new ATOM 0 HA GLU A 52 10.641 -3.392 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.822 -1.310 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.025 -2.006 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.263 -2.956 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.052 -1.844 4.515 1.00 0.00 H new ATOM 801 N GLU A 53 13.487 -4.198 3.698 1.00 0.00 N ATOM 802 CA GLU A 53 14.097 -4.502 2.409 1.00 0.00 C ATOM 803 C GLU A 53 13.353 -5.636 1.709 1.00 0.00 C ATOM 804 O GLU A 53 12.982 -5.520 0.541 1.00 0.00 O ATOM 805 CB GLU A 53 15.568 -4.880 2.593 1.00 0.00 C ATOM 806 CG GLU A 53 16.389 -4.768 1.319 1.00 0.00 C ATOM 807 CD GLU A 53 17.854 -4.488 1.592 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.544 -5.389 2.112 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.310 -3.367 1.285 1.00 0.00 O ATOM 0 H GLU A 53 14.090 -4.371 4.502 1.00 0.00 H new ATOM 0 HA GLU A 53 14.033 -3.610 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.007 -4.237 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.628 -5.903 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.300 -5.694 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.981 -3.972 0.697 1.00 0.00 H new ATOM 816 N GLU A 54 13.139 -6.731 2.432 1.00 0.00 N ATOM 817 CA GLU A 54 12.441 -7.886 1.879 1.00 0.00 C ATOM 818 C GLU A 54 11.037 -7.503 1.418 1.00 0.00 C ATOM 819 O GLU A 54 10.584 -7.929 0.355 1.00 0.00 O ATOM 820 CB GLU A 54 12.360 -9.006 2.919 1.00 0.00 C ATOM 821 CG GLU A 54 13.664 -9.766 3.097 1.00 0.00 C ATOM 822 CD GLU A 54 14.616 -9.076 4.053 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.373 -8.192 3.601 1.00 0.00 O ATOM 824 OE2 GLU A 54 14.604 -9.419 5.254 1.00 0.00 O ATOM 0 H GLU A 54 13.438 -6.843 3.401 1.00 0.00 H new ATOM 0 HA GLU A 54 13.004 -8.241 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.064 -8.580 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.578 -9.706 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.448 -10.769 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.149 -9.881 2.127 1.00 0.00 H new ATOM 831 N VAL A 55 10.354 -6.698 2.225 1.00 0.00 N ATOM 832 CA VAL A 55 9.003 -6.257 1.900 1.00 0.00 C ATOM 833 C VAL A 55 8.984 -5.448 0.608 1.00 0.00 C ATOM 834 O VAL A 55 8.354 -5.842 -0.374 1.00 0.00 O ATOM 835 CB VAL A 55 8.402 -5.406 3.035 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.012 -4.918 2.657 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.364 -6.199 4.332 1.00 0.00 C ATOM 0 H VAL A 55 10.714 -6.338 3.109 1.00 0.00 H new ATOM 0 HA VAL A 55 8.400 -7.156 1.771 1.00 0.00 H new ATOM 0 HB VAL A 55 9.038 -4.534 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.603 -4.319 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.073 -4.311 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.363 -5.774 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.937 -5.583 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.752 -7.090 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.377 -6.493 4.608 1.00 0.00 H new ATOM 847 N ARG A 56 9.680 -4.316 0.615 1.00 0.00 N ATOM 848 CA ARG A 56 9.743 -3.450 -0.556 1.00 0.00 C ATOM 849 C ARG A 56 9.956 -4.269 -1.826 1.00 0.00 C ATOM 850 O ARG A 56 9.331 -4.013 -2.855 1.00 0.00 O ATOM 851 CB ARG A 56 10.869 -2.427 -0.400 1.00 0.00 C ATOM 852 CG ARG A 56 10.605 -1.390 0.680 1.00 0.00 C ATOM 853 CD ARG A 56 11.785 -0.445 0.845 1.00 0.00 C ATOM 854 NE ARG A 56 11.464 0.686 1.710 1.00 0.00 N ATOM 855 CZ ARG A 56 10.846 1.783 1.286 1.00 0.00 C ATOM 856 NH1 ARG A 56 10.486 1.896 0.015 1.00 0.00 N ATOM 857 NH2 ARG A 56 10.588 2.771 2.134 1.00 0.00 N ATOM 0 H ARG A 56 10.208 -3.977 1.419 1.00 0.00 H new ATOM 0 HA ARG A 56 8.793 -2.923 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.796 -2.952 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.020 -1.918 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.712 -0.818 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.404 -1.892 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.631 -0.991 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.094 -0.077 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 56 11.729 0.631 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.683 1.140 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.012 2.739 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.864 2.689 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.113 3.613 1.807 1.00 0.00 H new ATOM 871 N LYS A 57 10.845 -5.253 -1.746 1.00 0.00 N ATOM 872 CA LYS A 57 11.142 -6.111 -2.888 1.00 0.00 C ATOM 873 C LYS A 57 9.949 -6.999 -3.226 1.00 0.00 C ATOM 874 O LYS A 57 9.648 -7.231 -4.397 1.00 0.00 O ATOM 875 CB LYS A 57 12.369 -6.977 -2.595 1.00 0.00 C ATOM 876 CG LYS A 57 13.687 -6.291 -2.910 1.00 0.00 C ATOM 877 CD LYS A 57 14.757 -7.293 -3.309 1.00 0.00 C ATOM 878 CE LYS A 57 15.282 -8.057 -2.103 1.00 0.00 C ATOM 879 NZ LYS A 57 16.042 -7.174 -1.175 1.00 0.00 N ATOM 0 H LYS A 57 11.373 -5.477 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 57 11.352 -5.472 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.360 -7.262 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.300 -7.897 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.541 -5.573 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.022 -5.727 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.347 -7.995 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.580 -6.772 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.447 -8.512 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.926 -8.870 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.978 -7.588 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.157 -6.235 -1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.522 -7.082 -0.279 1.00 0.00 H new ATOM 893 N PHE A 58 9.272 -7.492 -2.194 1.00 0.00 N ATOM 894 CA PHE A 58 8.111 -8.354 -2.382 1.00 0.00 C ATOM 895 C PHE A 58 6.844 -7.526 -2.572 1.00 0.00 C ATOM 896 O PHE A 58 5.734 -8.011 -2.357 1.00 0.00 O ATOM 897 CB PHE A 58 7.946 -9.292 -1.184 1.00 0.00 C ATOM 898 CG PHE A 58 7.014 -10.440 -1.446 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.434 -11.538 -2.178 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.716 -10.419 -0.961 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.579 -12.597 -2.420 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.856 -11.475 -1.199 1.00 0.00 C ATOM 903 CZ PHE A 58 5.288 -12.564 -1.931 1.00 0.00 C ATOM 0 H PHE A 58 9.508 -7.309 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 58 8.273 -8.949 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.923 -9.685 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.575 -8.720 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.442 -11.567 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.373 -9.568 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.920 -13.448 -2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.848 -11.449 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.617 -13.389 -2.121 1.00 0.00 H new ATOM 913 N ALA A 59 7.019 -6.272 -2.977 1.00 0.00 N ATOM 914 CA ALA A 59 5.890 -5.376 -3.198 1.00 0.00 C ATOM 915 C ALA A 59 5.793 -4.967 -4.664 1.00 0.00 C ATOM 916 O ALA A 59 4.698 -4.859 -5.217 1.00 0.00 O ATOM 917 CB ALA A 59 6.012 -4.145 -2.312 1.00 0.00 C ATOM 0 H ALA A 59 7.931 -5.854 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 59 4.977 -5.910 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.163 -3.485 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.025 -4.450 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.936 -3.617 -2.548 1.00 0.00 H new ATOM 923 N ARG A 60 6.944 -4.739 -5.287 1.00 0.00 N ATOM 924 CA ARG A 60 6.988 -4.339 -6.689 1.00 0.00 C ATOM 925 C ARG A 60 6.362 -5.409 -7.579 1.00 0.00 C ATOM 926 O ARG A 60 5.409 -5.142 -8.313 1.00 0.00 O ATOM 927 CB ARG A 60 8.432 -4.081 -7.123 1.00 0.00 C ATOM 928 CG ARG A 60 9.146 -3.042 -6.274 1.00 0.00 C ATOM 929 CD ARG A 60 10.465 -2.621 -6.902 1.00 0.00 C ATOM 930 NE ARG A 60 11.385 -3.745 -7.049 1.00 0.00 N ATOM 931 CZ ARG A 60 12.371 -3.777 -7.939 1.00 0.00 C ATOM 932 NH1 ARG A 60 12.564 -2.751 -8.757 1.00 0.00 N ATOM 933 NH2 ARG A 60 13.167 -4.836 -8.012 1.00 0.00 N ATOM 0 H ARG A 60 7.859 -4.824 -4.844 1.00 0.00 H new ATOM 0 HA ARG A 60 6.414 -3.419 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.988 -5.017 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.437 -3.754 -8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.505 -2.169 -6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.328 -3.447 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.276 -2.177 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.930 -1.850 -6.287 1.00 0.00 H new ATOM 0 HE ARG A 60 11.264 -4.550 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.955 -1.935 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.322 -2.778 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.022 -5.627 -7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.924 -4.859 -8.696 1.00 0.00 H new ATOM 947 N LEU A 61 6.903 -6.620 -7.510 1.00 0.00 N ATOM 948 CA LEU A 61 6.398 -7.731 -8.309 1.00 0.00 C ATOM 949 C LEU A 61 4.875 -7.703 -8.379 1.00 0.00 C ATOM 950 O LEU A 61 4.284 -8.053 -9.400 1.00 0.00 O ATOM 951 CB LEU A 61 6.869 -9.063 -7.722 1.00 0.00 C ATOM 952 CG LEU A 61 6.026 -9.628 -6.579 1.00 0.00 C ATOM 953 CD1 LEU A 61 6.410 -11.072 -6.295 1.00 0.00 C ATOM 954 CD2 LEU A 61 6.185 -8.776 -5.328 1.00 0.00 C ATOM 0 H LEU A 61 7.692 -6.858 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 61 6.792 -7.628 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.898 -9.800 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.892 -8.939 -7.366 1.00 0.00 H new ATOM 0 HG LEU A 61 4.979 -9.605 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.799 -11.457 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.244 -11.675 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.462 -11.120 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.578 -9.193 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.232 -8.767 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.859 -7.757 -5.538 1.00 0.00 H new