USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 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 22:sc= 0.165 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 150:sc= -0.376 USER MOD Single : A 17 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.57) USER MOD Single : A 24 ASN : amide:sc=-0.00081 K(o=-0.00081,f=-0.61) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.81! C(o=-3.8!,f=-9.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= -2.11 (180deg=-4.41!) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc=-0.000178 (180deg=-0.76) USER MOD Single : A 43 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.45) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.73 (180deg=1.49) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -42:sc= -0.0534 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.725 3.185 2.094 1.00 0.00 N ATOM 109 CA THR A 11 2.579 2.891 0.674 1.00 0.00 C ATOM 110 C THR A 11 2.868 1.423 0.384 1.00 0.00 C ATOM 111 O THR A 11 1.980 0.675 -0.025 1.00 0.00 O ATOM 112 CB THR A 11 3.517 3.765 -0.180 1.00 0.00 C ATOM 113 OG1 THR A 11 3.363 5.143 0.178 1.00 0.00 O ATOM 114 CG2 THR A 11 3.224 3.585 -1.662 1.00 0.00 C ATOM 0 HA THR A 11 1.545 3.114 0.410 1.00 0.00 H new ATOM 0 HB THR A 11 4.544 3.453 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.989 5.206 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.899 4.212 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.370 2.541 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.193 3.873 -1.867 1.00 0.00 H new ATOM 122 N ASP A 12 4.114 1.016 0.599 1.00 0.00 N ATOM 123 CA ASP A 12 4.519 -0.364 0.363 1.00 0.00 C ATOM 124 C ASP A 12 3.932 -1.292 1.421 1.00 0.00 C ATOM 125 O ASP A 12 3.370 -2.340 1.101 1.00 0.00 O ATOM 126 CB ASP A 12 6.045 -0.477 0.358 1.00 0.00 C ATOM 127 CG ASP A 12 6.701 0.583 -0.504 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.076 1.011 -1.498 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.839 0.986 -0.185 1.00 0.00 O ATOM 0 H ASP A 12 4.861 1.623 0.937 1.00 0.00 H new ATOM 0 HA ASP A 12 4.137 -0.666 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.416 -0.391 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.332 -1.464 -0.004 1.00 0.00 H new ATOM 134 N LYS A 13 4.066 -0.901 2.684 1.00 0.00 N ATOM 135 CA LYS A 13 3.548 -1.696 3.791 1.00 0.00 C ATOM 136 C LYS A 13 2.113 -2.136 3.521 1.00 0.00 C ATOM 137 O LYS A 13 1.803 -3.327 3.550 1.00 0.00 O ATOM 138 CB LYS A 13 3.611 -0.896 5.094 1.00 0.00 C ATOM 139 CG LYS A 13 5.026 -0.594 5.555 1.00 0.00 C ATOM 140 CD LYS A 13 5.657 -1.795 6.240 1.00 0.00 C ATOM 141 CE LYS A 13 7.026 -1.455 6.809 1.00 0.00 C ATOM 142 NZ LYS A 13 7.634 -2.614 7.520 1.00 0.00 N ATOM 0 H LYS A 13 4.529 -0.037 2.966 1.00 0.00 H new ATOM 0 HA LYS A 13 4.170 -2.586 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.073 0.043 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.094 -1.451 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.634 -0.301 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.013 0.253 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.005 -2.143 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.751 -2.614 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.686 -1.137 6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.935 -0.614 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.566 -2.342 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.017 -2.902 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.744 -3.408 6.858 1.00 0.00 H new ATOM 156 N ALA A 14 1.242 -1.168 3.256 1.00 0.00 N ATOM 157 CA ALA A 14 -0.159 -1.457 2.977 1.00 0.00 C ATOM 158 C ALA A 14 -0.303 -2.719 2.133 1.00 0.00 C ATOM 159 O ALA A 14 -0.941 -3.687 2.547 1.00 0.00 O ATOM 160 CB ALA A 14 -0.813 -0.274 2.277 1.00 0.00 C ATOM 0 H ALA A 14 1.482 -0.177 3.229 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.665 -1.628 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.859 -0.504 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.752 0.606 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.297 -0.076 1.338 1.00 0.00 H new ATOM 166 N LEU A 15 0.295 -2.702 0.946 1.00 0.00 N ATOM 167 CA LEU A 15 0.234 -3.845 0.042 1.00 0.00 C ATOM 168 C LEU A 15 0.528 -5.144 0.786 1.00 0.00 C ATOM 169 O LEU A 15 -0.268 -6.083 0.754 1.00 0.00 O ATOM 170 CB LEU A 15 1.228 -3.666 -1.107 1.00 0.00 C ATOM 171 CG LEU A 15 0.703 -2.930 -2.340 1.00 0.00 C ATOM 172 CD1 LEU A 15 0.630 -1.434 -2.079 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.581 -3.221 -3.548 1.00 0.00 C ATOM 0 H LEU A 15 0.827 -1.909 0.588 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.776 -3.901 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.096 -3.126 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.575 -4.651 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.304 -3.289 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.254 -0.927 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.041 -1.243 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.625 -1.057 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.193 -2.689 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.600 -2.890 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.580 -4.292 -3.749 1.00 0.00 H new ATOM 185 N TYR A 16 1.673 -5.189 1.457 1.00 0.00 N ATOM 186 CA TYR A 16 2.072 -6.372 2.209 1.00 0.00 C ATOM 187 C TYR A 16 0.860 -7.051 2.840 1.00 0.00 C ATOM 188 O TYR A 16 0.565 -8.210 2.553 1.00 0.00 O ATOM 189 CB TYR A 16 3.082 -5.996 3.294 1.00 0.00 C ATOM 190 CG TYR A 16 3.901 -7.166 3.791 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.903 -7.722 3.005 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.673 -7.716 5.046 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.653 -8.791 3.454 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.419 -8.785 5.505 1.00 0.00 C ATOM 195 CZ TYR A 16 5.408 -9.319 4.705 1.00 0.00 C ATOM 196 OH TYR A 16 6.153 -10.384 5.157 1.00 0.00 O ATOM 0 H TYR A 16 2.341 -4.420 1.496 1.00 0.00 H new ATOM 0 HA TYR A 16 2.538 -7.072 1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.755 -5.232 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.550 -5.552 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.099 -7.311 2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.899 -7.301 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.427 -9.212 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.229 -9.200 6.484 1.00 0.00 H new ATOM 0 HH TYR A 16 6.221 -10.344 6.134 1.00 0.00 H new ATOM 206 N ASN A 17 0.162 -6.319 3.701 1.00 0.00 N ATOM 207 CA ASN A 17 -1.019 -6.849 4.374 1.00 0.00 C ATOM 208 C ASN A 17 -1.962 -7.513 3.375 1.00 0.00 C ATOM 209 O ASN A 17 -2.467 -8.609 3.616 1.00 0.00 O ATOM 210 CB ASN A 17 -1.752 -5.732 5.119 1.00 0.00 C ATOM 211 CG ASN A 17 -0.839 -4.968 6.059 1.00 0.00 C ATOM 212 OD1 ASN A 17 0.134 -5.516 6.578 1.00 0.00 O ATOM 213 ND2 ASN A 17 -1.149 -3.697 6.282 1.00 0.00 N ATOM 0 H ASN A 17 0.393 -5.357 3.950 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.691 -7.600 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.186 -5.041 4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.578 -6.159 5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.571 -3.133 6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.965 -3.284 5.830 1.00 0.00 H new ATOM 220 N ARG A 18 -2.194 -6.840 2.252 1.00 0.00 N ATOM 221 CA ARG A 18 -3.076 -7.364 1.216 1.00 0.00 C ATOM 222 C ARG A 18 -2.547 -8.687 0.669 1.00 0.00 C ATOM 223 O ARG A 18 -3.292 -9.660 0.540 1.00 0.00 O ATOM 224 CB ARG A 18 -3.221 -6.351 0.079 1.00 0.00 C ATOM 225 CG ARG A 18 -4.070 -6.851 -1.078 1.00 0.00 C ATOM 226 CD ARG A 18 -3.731 -6.127 -2.372 1.00 0.00 C ATOM 227 NE ARG A 18 -4.855 -6.119 -3.305 1.00 0.00 N ATOM 228 CZ ARG A 18 -4.729 -5.873 -4.604 1.00 0.00 C ATOM 229 NH1 ARG A 18 -3.536 -5.617 -5.121 1.00 0.00 N ATOM 230 NH2 ARG A 18 -5.799 -5.884 -5.389 1.00 0.00 N ATOM 0 H ARG A 18 -1.784 -5.931 2.037 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.054 -7.541 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.662 -5.436 0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.230 -6.092 -0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.915 -7.922 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.125 -6.707 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.439 -5.101 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.873 -6.607 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.787 -6.313 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.711 -5.609 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.442 -5.428 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.719 -6.081 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.702 -5.695 -6.387 1.00 0.00 H new ATOM 244 N LEU A 19 -1.259 -8.715 0.349 1.00 0.00 N ATOM 245 CA LEU A 19 -0.629 -9.918 -0.185 1.00 0.00 C ATOM 246 C LEU A 19 -0.781 -11.088 0.782 1.00 0.00 C ATOM 247 O LEU A 19 -1.163 -12.189 0.386 1.00 0.00 O ATOM 248 CB LEU A 19 0.853 -9.662 -0.464 1.00 0.00 C ATOM 249 CG LEU A 19 1.163 -8.667 -1.583 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.553 -8.077 -1.403 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.038 -9.338 -2.943 1.00 0.00 C ATOM 0 H LEU A 19 -0.630 -7.919 0.450 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.129 -10.175 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.318 -9.302 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.326 -10.613 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 19 0.437 -7.855 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.756 -7.371 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.607 -7.560 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.293 -8.877 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.262 -8.615 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.740 -10.169 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.022 -9.711 -3.073 1.00 0.00 H new ATOM 263 N VAL A 20 -0.482 -10.840 2.053 1.00 0.00 N ATOM 264 CA VAL A 20 -0.588 -11.871 3.079 1.00 0.00 C ATOM 265 C VAL A 20 -1.582 -11.468 4.162 1.00 0.00 C ATOM 266 O VAL A 20 -1.209 -11.002 5.239 1.00 0.00 O ATOM 267 CB VAL A 20 0.777 -12.158 3.731 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.717 -13.430 4.561 1.00 0.00 C ATOM 269 CG2 VAL A 20 1.864 -12.254 2.670 1.00 0.00 C ATOM 0 H VAL A 20 -0.164 -9.934 2.397 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.942 -12.775 2.583 1.00 0.00 H new ATOM 0 HB VAL A 20 1.023 -11.331 4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.691 -13.616 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.032 -13.318 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.449 -14.270 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.822 -12.457 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.626 -13.061 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.923 -11.313 2.124 1.00 0.00 H new ATOM 279 N PRO A 21 -2.879 -11.651 3.873 1.00 0.00 N ATOM 280 CA PRO A 21 -3.954 -11.313 4.811 1.00 0.00 C ATOM 281 C PRO A 21 -3.989 -12.250 6.014 1.00 0.00 C ATOM 282 O PRO A 21 -3.427 -13.345 5.978 1.00 0.00 O ATOM 283 CB PRO A 21 -5.222 -11.475 3.970 1.00 0.00 C ATOM 284 CG PRO A 21 -4.849 -12.449 2.905 1.00 0.00 C ATOM 285 CD PRO A 21 -3.396 -12.201 2.609 1.00 0.00 C ATOM 0 HA PRO A 21 -3.830 -10.315 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.052 -11.845 4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.538 -10.523 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.010 -13.474 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.459 -12.305 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.880 -13.120 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.268 -11.500 1.784 1.00 0.00 H new ATOM 293 N LEU A 22 -4.653 -11.813 7.078 1.00 0.00 N ATOM 294 CA LEU A 22 -4.762 -12.614 8.293 1.00 0.00 C ATOM 295 C LEU A 22 -6.195 -13.092 8.503 1.00 0.00 C ATOM 296 O LEU A 22 -7.122 -12.287 8.603 1.00 0.00 O ATOM 297 CB LEU A 22 -4.301 -11.802 9.505 1.00 0.00 C ATOM 298 CG LEU A 22 -3.602 -12.590 10.614 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.099 -11.652 11.700 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.543 -13.633 11.201 1.00 0.00 C ATOM 0 H LEU A 22 -5.124 -10.909 7.125 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.119 -13.487 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.623 -11.022 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.169 -11.302 9.934 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.744 -13.105 10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.605 -12.231 12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.391 -10.944 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.940 -11.108 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.029 -14.184 11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.420 -13.138 11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.854 -14.324 10.418 1.00 0.00 H new ATOM 312 N VAL A 23 -6.370 -14.408 8.572 1.00 0.00 N ATOM 313 CA VAL A 23 -7.690 -14.994 8.773 1.00 0.00 C ATOM 314 C VAL A 23 -7.645 -16.102 9.820 1.00 0.00 C ATOM 315 O VAL A 23 -8.390 -16.075 10.799 1.00 0.00 O ATOM 316 CB VAL A 23 -8.256 -15.567 7.460 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.690 -14.443 6.531 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.230 -16.463 6.784 1.00 0.00 C ATOM 0 H VAL A 23 -5.614 -15.088 8.492 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.342 -14.193 9.122 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.132 -16.171 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.087 -14.866 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.461 -13.846 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.833 -13.810 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.647 -16.859 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.333 -15.885 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.973 -17.288 7.448 1.00 0.00 H new ATOM 328 N ASN A 24 -6.766 -17.075 9.607 1.00 0.00 N ATOM 329 CA ASN A 24 -6.623 -18.193 10.532 1.00 0.00 C ATOM 330 C ASN A 24 -5.707 -17.823 11.695 1.00 0.00 C ATOM 331 O ASN A 24 -4.956 -18.658 12.197 1.00 0.00 O ATOM 332 CB ASN A 24 -6.070 -19.419 9.803 1.00 0.00 C ATOM 333 CG ASN A 24 -7.068 -20.008 8.824 1.00 0.00 C ATOM 334 OD1 ASN A 24 -8.267 -20.061 9.099 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.575 -20.454 7.674 1.00 0.00 N ATOM 0 H ASN A 24 -6.141 -17.112 8.801 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.609 -18.430 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.161 -19.142 9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.791 -20.178 10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.197 -20.861 6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.574 -20.390 7.489 1.00 0.00 H new ATOM 342 N GLY A 25 -5.776 -16.565 12.118 1.00 0.00 N ATOM 343 CA GLY A 25 -4.948 -16.106 13.219 1.00 0.00 C ATOM 344 C GLY A 25 -3.477 -16.393 12.997 1.00 0.00 C ATOM 345 O GLY A 25 -2.672 -16.303 13.924 1.00 0.00 O ATOM 0 H GLY A 25 -6.390 -15.855 11.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.089 -15.034 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.274 -16.588 14.140 1.00 0.00 H new ATOM 349 N VAL A 26 -3.123 -16.742 11.764 1.00 0.00 N ATOM 350 CA VAL A 26 -1.738 -17.044 11.422 1.00 0.00 C ATOM 351 C VAL A 26 -1.452 -16.731 9.958 1.00 0.00 C ATOM 352 O VAL A 26 -2.045 -17.327 9.058 1.00 0.00 O ATOM 353 CB VAL A 26 -1.402 -18.522 11.695 1.00 0.00 C ATOM 354 CG1 VAL A 26 0.044 -18.818 11.330 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.676 -18.871 13.150 1.00 0.00 C ATOM 0 H VAL A 26 -3.777 -16.823 10.985 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.112 -16.414 12.054 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.043 -19.143 11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.262 -19.867 11.530 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.202 -18.610 10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.706 -18.190 11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.433 -19.919 13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.062 -18.244 13.796 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.729 -18.701 13.373 1.00 0.00 H new ATOM 365 N ARG A 27 -0.540 -15.793 9.726 1.00 0.00 N ATOM 366 CA ARG A 27 -0.176 -15.399 8.370 1.00 0.00 C ATOM 367 C ARG A 27 0.885 -16.336 7.799 1.00 0.00 C ATOM 368 O ARG A 27 1.953 -16.510 8.385 1.00 0.00 O ATOM 369 CB ARG A 27 0.339 -13.959 8.355 1.00 0.00 C ATOM 370 CG ARG A 27 -0.522 -12.996 9.156 1.00 0.00 C ATOM 371 CD ARG A 27 0.126 -11.624 9.261 1.00 0.00 C ATOM 372 NE ARG A 27 -0.825 -10.600 9.684 1.00 0.00 N ATOM 373 CZ ARG A 27 -0.468 -9.457 10.257 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.813 -9.192 10.474 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.392 -8.574 10.613 1.00 0.00 N ATOM 0 H ARG A 27 -0.039 -15.291 10.460 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.068 -15.465 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.354 -13.941 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.393 -13.612 7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.500 -12.902 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.687 -13.399 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.952 -11.667 9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.550 -11.348 8.295 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.819 -10.772 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.527 -9.867 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.084 -8.313 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.378 -8.773 10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.116 -7.696 11.053 1.00 0.00 H new ATOM 389 N GLU A 28 0.582 -16.936 6.652 1.00 0.00 N ATOM 390 CA GLU A 28 1.509 -17.856 6.004 1.00 0.00 C ATOM 391 C GLU A 28 1.533 -17.630 4.495 1.00 0.00 C ATOM 392 O GLU A 28 0.495 -17.399 3.873 1.00 0.00 O ATOM 393 CB GLU A 28 1.121 -19.305 6.307 1.00 0.00 C ATOM 394 CG GLU A 28 1.329 -19.699 7.760 1.00 0.00 C ATOM 395 CD GLU A 28 1.117 -21.181 7.998 1.00 0.00 C ATOM 396 OE1 GLU A 28 1.909 -21.987 7.466 1.00 0.00 O ATOM 397 OE2 GLU A 28 0.160 -21.535 8.717 1.00 0.00 O ATOM 0 H GLU A 28 -0.297 -16.802 6.153 1.00 0.00 H new ATOM 0 HA GLU A 28 2.506 -17.664 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.074 -19.454 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.706 -19.970 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.339 -19.427 8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.642 -19.132 8.388 1.00 0.00 H new ATOM 404 N PHE A 29 2.725 -17.697 3.911 1.00 0.00 N ATOM 405 CA PHE A 29 2.886 -17.498 2.476 1.00 0.00 C ATOM 406 C PHE A 29 2.187 -18.605 1.692 1.00 0.00 C ATOM 407 O PHE A 29 1.574 -19.500 2.273 1.00 0.00 O ATOM 408 CB PHE A 29 4.371 -17.457 2.108 1.00 0.00 C ATOM 409 CG PHE A 29 5.039 -16.158 2.456 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.470 -14.950 2.087 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.238 -16.145 3.152 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.082 -13.753 2.406 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.854 -14.950 3.474 1.00 0.00 C ATOM 414 CZ PHE A 29 6.276 -13.753 3.100 1.00 0.00 C ATOM 0 H PHE A 29 3.594 -17.888 4.410 1.00 0.00 H new ATOM 0 HA PHE A 29 2.427 -16.545 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.886 -18.270 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.477 -17.636 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.537 -14.944 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.696 -17.078 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.627 -12.818 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.787 -14.953 4.018 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.757 -12.819 3.350 1.00 0.00 H new ATOM 424 N SER A 30 2.283 -18.535 0.368 1.00 0.00 N ATOM 425 CA SER A 30 1.657 -19.528 -0.497 1.00 0.00 C ATOM 426 C SER A 30 2.649 -20.051 -1.531 1.00 0.00 C ATOM 427 O SER A 30 3.516 -19.316 -2.002 1.00 0.00 O ATOM 428 CB SER A 30 0.439 -18.926 -1.201 1.00 0.00 C ATOM 429 OG SER A 30 -0.006 -19.763 -2.255 1.00 0.00 O ATOM 0 H SER A 30 2.788 -17.801 -0.129 1.00 0.00 H new ATOM 0 HA SER A 30 1.333 -20.363 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.367 -18.783 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.693 -17.942 -1.596 1.00 0.00 H new ATOM 0 HG SER A 30 -0.786 -19.357 -2.688 1.00 0.00 H new ATOM 435 N GLU A 31 2.513 -21.327 -1.880 1.00 0.00 N ATOM 436 CA GLU A 31 3.399 -21.949 -2.858 1.00 0.00 C ATOM 437 C GLU A 31 3.777 -20.960 -3.956 1.00 0.00 C ATOM 438 O GLU A 31 4.877 -21.019 -4.507 1.00 0.00 O ATOM 439 CB GLU A 31 2.730 -23.180 -3.473 1.00 0.00 C ATOM 440 CG GLU A 31 1.430 -22.869 -4.196 1.00 0.00 C ATOM 441 CD GLU A 31 1.111 -23.877 -5.283 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.688 -23.763 -6.385 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.284 -24.779 -5.033 1.00 0.00 O ATOM 0 H GLU A 31 1.799 -21.949 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 31 4.309 -22.257 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.422 -23.648 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.533 -23.907 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.613 -22.848 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.492 -21.874 -4.636 1.00 0.00 H new ATOM 450 N ILE A 32 2.859 -20.052 -4.268 1.00 0.00 N ATOM 451 CA ILE A 32 3.097 -19.049 -5.300 1.00 0.00 C ATOM 452 C ILE A 32 4.093 -17.997 -4.825 1.00 0.00 C ATOM 453 O ILE A 32 5.140 -17.798 -5.441 1.00 0.00 O ATOM 454 CB ILE A 32 1.789 -18.351 -5.718 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.810 -19.366 -6.311 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.078 -17.239 -6.715 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.634 -18.919 -6.249 1.00 0.00 C ATOM 0 H ILE A 32 1.944 -19.990 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 32 3.511 -19.574 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 32 1.331 -17.909 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.079 -19.554 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.913 -20.312 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.144 -16.755 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.742 -16.505 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.555 -17.659 -7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.272 -19.687 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.921 -18.758 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.751 -17.989 -6.806 1.00 0.00 H new ATOM 469 N GLN A 33 3.760 -17.329 -3.725 1.00 0.00 N ATOM 470 CA GLN A 33 4.627 -16.298 -3.167 1.00 0.00 C ATOM 471 C GLN A 33 6.040 -16.831 -2.955 1.00 0.00 C ATOM 472 O GLN A 33 7.007 -16.287 -3.490 1.00 0.00 O ATOM 473 CB GLN A 33 4.058 -15.786 -1.843 1.00 0.00 C ATOM 474 CG GLN A 33 2.675 -15.168 -1.973 1.00 0.00 C ATOM 475 CD GLN A 33 2.043 -14.863 -0.629 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.947 -15.733 0.236 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.609 -13.621 -0.448 1.00 0.00 N ATOM 0 H GLN A 33 2.897 -17.483 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 33 4.673 -15.473 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.012 -16.612 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.740 -15.045 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.745 -14.248 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.028 -15.847 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.709 -12.932 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.175 -13.356 0.436 1.00 0.00 H new ATOM 486 N LEU A 34 6.153 -17.897 -2.170 1.00 0.00 N ATOM 487 CA LEU A 34 7.449 -18.504 -1.886 1.00 0.00 C ATOM 488 C LEU A 34 8.271 -18.654 -3.162 1.00 0.00 C ATOM 489 O LEU A 34 9.290 -17.985 -3.338 1.00 0.00 O ATOM 490 CB LEU A 34 7.260 -19.870 -1.224 1.00 0.00 C ATOM 491 CG LEU A 34 6.358 -19.899 0.010 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.661 -21.245 0.130 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.163 -19.599 1.266 1.00 0.00 C ATOM 0 H LEU A 34 5.363 -18.359 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 34 7.989 -17.848 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.851 -20.557 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.241 -20.253 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 34 5.596 -19.127 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.023 -21.247 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.052 -21.420 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.407 -22.034 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.505 -19.624 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.947 -20.347 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.615 -18.611 1.181 1.00 0.00 H new ATOM 505 N SER A 35 7.821 -19.534 -4.051 1.00 0.00 N ATOM 506 CA SER A 35 8.516 -19.773 -5.310 1.00 0.00 C ATOM 507 C SER A 35 9.069 -18.470 -5.881 1.00 0.00 C ATOM 508 O SER A 35 10.130 -18.454 -6.504 1.00 0.00 O ATOM 509 CB SER A 35 7.573 -20.426 -6.322 1.00 0.00 C ATOM 510 OG SER A 35 8.297 -21.152 -7.300 1.00 0.00 O ATOM 0 H SER A 35 6.978 -20.093 -3.922 1.00 0.00 H new ATOM 0 HA SER A 35 9.350 -20.447 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.885 -21.094 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.968 -19.660 -6.807 1.00 0.00 H new ATOM 0 HG SER A 35 7.671 -21.561 -7.934 1.00 0.00 H new ATOM 516 N ARG A 36 8.340 -17.380 -5.664 1.00 0.00 N ATOM 517 CA ARG A 36 8.755 -16.073 -6.157 1.00 0.00 C ATOM 518 C ARG A 36 9.814 -15.459 -5.246 1.00 0.00 C ATOM 519 O ARG A 36 10.807 -14.902 -5.716 1.00 0.00 O ATOM 520 CB ARG A 36 7.550 -15.136 -6.259 1.00 0.00 C ATOM 521 CG ARG A 36 6.459 -15.646 -7.187 1.00 0.00 C ATOM 522 CD ARG A 36 5.162 -14.875 -6.998 1.00 0.00 C ATOM 523 NE ARG A 36 5.104 -13.687 -7.846 1.00 0.00 N ATOM 524 CZ ARG A 36 4.760 -13.715 -9.129 1.00 0.00 C ATOM 525 NH1 ARG A 36 4.445 -14.865 -9.709 1.00 0.00 N ATOM 526 NH2 ARG A 36 4.730 -12.592 -9.834 1.00 0.00 N ATOM 0 H ARG A 36 7.459 -17.377 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 36 9.187 -16.208 -7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.130 -14.989 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.887 -14.161 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.789 -15.557 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.285 -16.705 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.317 -15.525 -7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.064 -14.580 -5.953 1.00 0.00 H new ATOM 0 HE ARG A 36 5.341 -12.786 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.466 -15.731 -9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.181 -14.884 -10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.971 -11.705 -9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.466 -12.615 -10.819 1.00 0.00 H new ATOM 540 N LEU A 37 9.595 -15.563 -3.940 1.00 0.00 N ATOM 541 CA LEU A 37 10.530 -15.018 -2.961 1.00 0.00 C ATOM 542 C LEU A 37 11.942 -15.542 -3.207 1.00 0.00 C ATOM 543 O LEU A 37 12.921 -14.807 -3.072 1.00 0.00 O ATOM 544 CB LEU A 37 10.081 -15.376 -1.543 1.00 0.00 C ATOM 545 CG LEU A 37 8.998 -14.482 -0.937 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.437 -15.109 0.330 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.552 -13.095 -0.648 1.00 0.00 C ATOM 0 H LEU A 37 8.778 -16.020 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 37 10.540 -13.933 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.716 -16.403 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.953 -15.350 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 37 8.188 -14.384 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.668 -14.459 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.003 -16.080 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.238 -15.237 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.768 -12.472 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.381 -13.174 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.905 -12.644 -1.575 1.00 0.00 H new ATOM 559 N LYS A 38 12.040 -16.816 -3.569 1.00 0.00 N ATOM 560 CA LYS A 38 13.331 -17.438 -3.838 1.00 0.00 C ATOM 561 C LYS A 38 14.036 -16.749 -5.002 1.00 0.00 C ATOM 562 O LYS A 38 15.264 -16.679 -5.044 1.00 0.00 O ATOM 563 CB LYS A 38 13.149 -18.926 -4.146 1.00 0.00 C ATOM 564 CG LYS A 38 13.071 -19.800 -2.906 1.00 0.00 C ATOM 565 CD LYS A 38 13.118 -21.277 -3.260 1.00 0.00 C ATOM 566 CE LYS A 38 11.865 -21.711 -4.005 1.00 0.00 C ATOM 567 NZ LYS A 38 11.890 -21.282 -5.431 1.00 0.00 N ATOM 0 H LYS A 38 11.240 -17.439 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 38 13.950 -17.331 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.239 -19.058 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.979 -19.264 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.897 -19.559 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.150 -19.584 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.996 -21.477 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.224 -21.867 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.770 -22.796 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.987 -21.290 -3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.553 -22.060 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.272 -20.455 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.863 -21.031 -5.701 1.00 0.00 H new ATOM 581 N LYS A 39 13.251 -16.241 -5.945 1.00 0.00 N ATOM 582 CA LYS A 39 13.798 -15.554 -7.109 1.00 0.00 C ATOM 583 C LYS A 39 14.571 -14.307 -6.692 1.00 0.00 C ATOM 584 O LYS A 39 15.694 -14.080 -7.144 1.00 0.00 O ATOM 585 CB LYS A 39 12.675 -15.172 -8.076 1.00 0.00 C ATOM 586 CG LYS A 39 11.721 -16.313 -8.383 1.00 0.00 C ATOM 587 CD LYS A 39 12.422 -17.444 -9.117 1.00 0.00 C ATOM 588 CE LYS A 39 12.370 -17.246 -10.624 1.00 0.00 C ATOM 589 NZ LYS A 39 13.530 -16.455 -11.121 1.00 0.00 N ATOM 0 H LYS A 39 12.232 -16.292 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 39 14.486 -16.235 -7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.110 -14.341 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.115 -14.817 -9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.293 -16.691 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.893 -15.943 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.461 -17.501 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.954 -18.393 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.355 -18.218 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.443 -16.738 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.737 -16.723 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.303 -15.441 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.362 -16.648 -10.527 1.00 0.00 H new ATOM 603 N LEU A 40 13.963 -13.502 -5.826 1.00 0.00 N ATOM 604 CA LEU A 40 14.595 -12.278 -5.346 1.00 0.00 C ATOM 605 C LEU A 40 15.824 -12.596 -4.500 1.00 0.00 C ATOM 606 O LEU A 40 16.766 -11.807 -4.435 1.00 0.00 O ATOM 607 CB LEU A 40 13.599 -11.453 -4.530 1.00 0.00 C ATOM 608 CG LEU A 40 12.452 -10.816 -5.315 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.367 -10.324 -4.370 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.967 -9.675 -6.180 1.00 0.00 C ATOM 0 H LEU A 40 13.034 -13.675 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 40 14.913 -11.698 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.172 -12.094 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.147 -10.661 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 40 12.019 -11.574 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.559 -9.874 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.978 -11.164 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.785 -9.581 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.137 -9.233 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.426 -8.916 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.707 -10.057 -6.883 1.00 0.00 H new ATOM 622 N GLY A 41 15.808 -13.758 -3.855 1.00 0.00 N ATOM 623 CA GLY A 41 16.928 -14.160 -3.023 1.00 0.00 C ATOM 624 C GLY A 41 16.587 -14.146 -1.546 1.00 0.00 C ATOM 625 O GLY A 41 17.479 -14.118 -0.697 1.00 0.00 O ATOM 0 H GLY A 41 15.040 -14.428 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.248 -15.162 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.770 -13.492 -3.205 1.00 0.00 H new ATOM 629 N ILE A 42 15.295 -14.163 -1.238 1.00 0.00 N ATOM 630 CA ILE A 42 14.840 -14.151 0.146 1.00 0.00 C ATOM 631 C ILE A 42 14.631 -15.568 0.668 1.00 0.00 C ATOM 632 O ILE A 42 13.781 -16.307 0.169 1.00 0.00 O ATOM 633 CB ILE A 42 13.527 -13.360 0.301 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.724 -11.909 -0.144 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.041 -13.417 1.741 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.429 -11.188 -0.443 1.00 0.00 C ATOM 0 H ILE A 42 14.545 -14.185 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 42 15.620 -13.662 0.730 1.00 0.00 H new ATOM 0 HB ILE A 42 12.769 -13.815 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.260 -11.368 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.353 -11.893 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.113 -12.854 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.866 -14.455 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.796 -12.984 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.645 -10.165 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.901 -11.706 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.806 -11.173 0.451 1.00 0.00 H new ATOM 648 N HIS A 43 15.410 -15.942 1.678 1.00 0.00 N ATOM 649 CA HIS A 43 15.309 -17.271 2.271 1.00 0.00 C ATOM 650 C HIS A 43 14.473 -17.234 3.547 1.00 0.00 C ATOM 651 O HIS A 43 14.859 -17.799 4.571 1.00 0.00 O ATOM 652 CB HIS A 43 16.702 -17.824 2.575 1.00 0.00 C ATOM 653 CG HIS A 43 17.301 -18.594 1.439 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.570 -19.444 0.637 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.571 -18.638 0.972 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.363 -19.979 -0.274 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.583 -19.506 -0.092 1.00 0.00 N ATOM 0 H HIS A 43 16.118 -15.344 2.103 1.00 0.00 H new ATOM 0 HA HIS A 43 14.815 -17.926 1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.364 -16.997 2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.644 -18.470 3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.417 -18.092 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.065 -20.683 -1.037 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.401 -19.747 -0.651 1.00 0.00 H new ATOM 666 N LYS A 44 13.327 -16.567 3.479 1.00 0.00 N ATOM 667 CA LYS A 44 12.436 -16.456 4.627 1.00 0.00 C ATOM 668 C LYS A 44 11.093 -17.121 4.340 1.00 0.00 C ATOM 669 O LYS A 44 10.554 -17.006 3.239 1.00 0.00 O ATOM 670 CB LYS A 44 12.221 -14.986 4.993 1.00 0.00 C ATOM 671 CG LYS A 44 13.424 -14.344 5.662 1.00 0.00 C ATOM 672 CD LYS A 44 13.173 -12.877 5.971 1.00 0.00 C ATOM 673 CE LYS A 44 14.476 -12.102 6.092 1.00 0.00 C ATOM 674 NZ LYS A 44 14.253 -10.716 6.587 1.00 0.00 N ATOM 0 H LYS A 44 12.993 -16.094 2.639 1.00 0.00 H new ATOM 0 HA LYS A 44 12.903 -16.968 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.977 -14.427 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.361 -14.908 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.656 -14.877 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.295 -14.436 5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.559 -12.438 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.610 -12.791 6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.149 -12.626 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.969 -12.066 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.169 -10.272 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.761 -10.162 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.673 -10.745 7.450 1.00 0.00 H new ATOM 688 N THR A 45 10.556 -17.816 5.338 1.00 0.00 N ATOM 689 CA THR A 45 9.276 -18.498 5.192 1.00 0.00 C ATOM 690 C THR A 45 8.181 -17.785 5.976 1.00 0.00 C ATOM 691 O THR A 45 7.037 -17.703 5.528 1.00 0.00 O ATOM 692 CB THR A 45 9.363 -19.961 5.667 1.00 0.00 C ATOM 693 OG1 THR A 45 10.356 -20.664 4.912 1.00 0.00 O ATOM 694 CG2 THR A 45 8.019 -20.658 5.519 1.00 0.00 C ATOM 0 H THR A 45 10.988 -17.921 6.256 1.00 0.00 H new ATOM 0 HA THR A 45 9.028 -18.482 4.131 1.00 0.00 H new ATOM 0 HB THR A 45 9.641 -19.962 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.406 -21.592 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.105 -21.690 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.272 -20.138 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.716 -20.646 4.472 1.00 0.00 H new ATOM 702 N ASP A 46 8.537 -17.270 7.147 1.00 0.00 N ATOM 703 CA ASP A 46 7.584 -16.562 7.993 1.00 0.00 C ATOM 704 C ASP A 46 7.478 -15.096 7.583 1.00 0.00 C ATOM 705 O ASP A 46 8.467 -14.451 7.234 1.00 0.00 O ATOM 706 CB ASP A 46 7.998 -16.665 9.462 1.00 0.00 C ATOM 707 CG ASP A 46 7.408 -17.883 10.145 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.167 -18.020 10.146 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.188 -18.699 10.680 1.00 0.00 O ATOM 0 H ASP A 46 9.479 -17.330 7.532 1.00 0.00 H new ATOM 0 HA ASP A 46 6.607 -17.028 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.085 -16.706 9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.680 -15.766 9.990 1.00 0.00 H new ATOM 714 N PRO A 47 6.251 -14.556 7.626 1.00 0.00 N ATOM 715 CA PRO A 47 5.987 -13.161 7.262 1.00 0.00 C ATOM 716 C PRO A 47 6.561 -12.178 8.276 1.00 0.00 C ATOM 717 O PRO A 47 6.783 -11.008 7.965 1.00 0.00 O ATOM 718 CB PRO A 47 4.458 -13.082 7.246 1.00 0.00 C ATOM 719 CG PRO A 47 4.013 -14.164 8.169 1.00 0.00 C ATOM 720 CD PRO A 47 5.027 -15.266 8.033 1.00 0.00 C ATOM 0 HA PRO A 47 6.451 -12.893 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.108 -12.106 7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.064 -13.232 6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.963 -13.804 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.016 -14.516 7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.167 -15.801 8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.723 -16.002 7.289 1.00 0.00 H new ATOM 728 N SER A 48 6.799 -12.661 9.491 1.00 0.00 N ATOM 729 CA SER A 48 7.345 -11.824 10.554 1.00 0.00 C ATOM 730 C SER A 48 8.846 -11.625 10.371 1.00 0.00 C ATOM 731 O SER A 48 9.411 -10.624 10.814 1.00 0.00 O ATOM 732 CB SER A 48 7.064 -12.450 11.921 1.00 0.00 C ATOM 733 OG SER A 48 7.672 -13.725 12.032 1.00 0.00 O ATOM 0 H SER A 48 6.622 -13.628 9.764 1.00 0.00 H new ATOM 0 HA SER A 48 6.858 -10.850 10.502 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.438 -11.795 12.708 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.988 -12.543 12.068 1.00 0.00 H new ATOM 0 HG SER A 48 7.479 -14.104 12.915 1.00 0.00 H new ATOM 739 N THR A 49 9.489 -12.587 9.716 1.00 0.00 N ATOM 740 CA THR A 49 10.925 -12.520 9.476 1.00 0.00 C ATOM 741 C THR A 49 11.260 -11.448 8.444 1.00 0.00 C ATOM 742 O THR A 49 12.285 -10.772 8.548 1.00 0.00 O ATOM 743 CB THR A 49 11.477 -13.874 8.991 1.00 0.00 C ATOM 744 OG1 THR A 49 10.864 -14.236 7.749 1.00 0.00 O ATOM 745 CG2 THR A 49 11.226 -14.962 10.024 1.00 0.00 C ATOM 0 H THR A 49 9.038 -13.422 9.342 1.00 0.00 H new ATOM 0 HA THR A 49 11.393 -12.265 10.427 1.00 0.00 H new ATOM 0 HB THR A 49 12.553 -13.773 8.848 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.905 -14.040 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.624 -15.909 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.719 -14.697 10.959 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.154 -15.061 10.195 1.00 0.00 H new ATOM 753 N LEU A 50 10.392 -11.298 7.451 1.00 0.00 N ATOM 754 CA LEU A 50 10.595 -10.307 6.400 1.00 0.00 C ATOM 755 C LEU A 50 11.011 -8.964 6.991 1.00 0.00 C ATOM 756 O LEU A 50 10.658 -8.635 8.125 1.00 0.00 O ATOM 757 CB LEU A 50 9.318 -10.140 5.574 1.00 0.00 C ATOM 758 CG LEU A 50 9.054 -11.217 4.522 1.00 0.00 C ATOM 759 CD1 LEU A 50 10.047 -11.098 3.375 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.123 -12.603 5.147 1.00 0.00 C ATOM 0 H LEU A 50 9.540 -11.850 7.351 1.00 0.00 H new ATOM 0 HA LEU A 50 11.396 -10.662 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.469 -10.111 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.357 -9.173 5.073 1.00 0.00 H new ATOM 0 HG LEU A 50 8.050 -11.070 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.844 -11.873 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.949 -10.117 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.061 -11.218 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.932 -13.357 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.114 -12.761 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.372 -12.685 5.933 1.00 0.00 H new ATOM 772 N THR A 51 11.763 -8.188 6.215 1.00 0.00 N ATOM 773 CA THR A 51 12.226 -6.880 6.661 1.00 0.00 C ATOM 774 C THR A 51 11.846 -5.793 5.663 1.00 0.00 C ATOM 775 O THR A 51 11.761 -6.044 4.461 1.00 0.00 O ATOM 776 CB THR A 51 13.752 -6.864 6.865 1.00 0.00 C ATOM 777 OG1 THR A 51 14.175 -5.568 7.303 1.00 0.00 O ATOM 778 CG2 THR A 51 14.474 -7.230 5.577 1.00 0.00 C ATOM 0 H THR A 51 12.064 -8.444 5.275 1.00 0.00 H new ATOM 0 HA THR A 51 11.738 -6.680 7.615 1.00 0.00 H new ATOM 0 HB THR A 51 14.002 -7.603 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.146 -5.567 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.551 -7.212 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.173 -8.229 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.217 -6.511 4.799 1.00 0.00 H new ATOM 786 N GLU A 52 11.620 -4.584 6.168 1.00 0.00 N ATOM 787 CA GLU A 52 11.250 -3.459 5.318 1.00 0.00 C ATOM 788 C GLU A 52 11.942 -3.550 3.962 1.00 0.00 C ATOM 789 O GLU A 52 11.326 -3.315 2.923 1.00 0.00 O ATOM 790 CB GLU A 52 11.611 -2.137 5.999 1.00 0.00 C ATOM 791 CG GLU A 52 13.104 -1.946 6.206 1.00 0.00 C ATOM 792 CD GLU A 52 13.419 -0.858 7.213 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.770 -0.831 8.280 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.314 -0.033 6.935 1.00 0.00 O ATOM 0 H GLU A 52 11.687 -4.359 7.161 1.00 0.00 H new ATOM 0 HA GLU A 52 10.172 -3.496 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.228 -1.312 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.110 -2.087 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.543 -2.885 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.571 -1.699 5.252 1.00 0.00 H new ATOM 801 N GLU A 53 13.227 -3.893 3.981 1.00 0.00 N ATOM 802 CA GLU A 53 14.003 -4.014 2.752 1.00 0.00 C ATOM 803 C GLU A 53 13.344 -4.996 1.788 1.00 0.00 C ATOM 804 O GLU A 53 13.101 -4.672 0.626 1.00 0.00 O ATOM 805 CB GLU A 53 15.429 -4.470 3.067 1.00 0.00 C ATOM 806 CG GLU A 53 16.369 -4.395 1.875 1.00 0.00 C ATOM 807 CD GLU A 53 17.829 -4.383 2.284 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.316 -3.315 2.711 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.485 -5.440 2.176 1.00 0.00 O ATOM 0 H GLU A 53 13.752 -4.092 4.833 1.00 0.00 H new ATOM 0 HA GLU A 53 14.039 -3.034 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.828 -3.855 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.401 -5.496 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.186 -5.246 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.149 -3.496 1.300 1.00 0.00 H new ATOM 816 N GLU A 54 13.060 -6.198 2.279 1.00 0.00 N ATOM 817 CA GLU A 54 12.431 -7.228 1.460 1.00 0.00 C ATOM 818 C GLU A 54 10.973 -6.881 1.173 1.00 0.00 C ATOM 819 O GLU A 54 10.520 -6.949 0.030 1.00 0.00 O ATOM 820 CB GLU A 54 12.515 -8.588 2.157 1.00 0.00 C ATOM 821 CG GLU A 54 13.936 -9.023 2.472 1.00 0.00 C ATOM 822 CD GLU A 54 13.996 -10.388 3.129 1.00 0.00 C ATOM 823 OE1 GLU A 54 13.176 -10.646 4.036 1.00 0.00 O ATOM 824 OE2 GLU A 54 14.862 -11.199 2.738 1.00 0.00 O ATOM 0 H GLU A 54 13.255 -6.483 3.239 1.00 0.00 H new ATOM 0 HA GLU A 54 12.967 -7.279 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.942 -8.548 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.045 -9.341 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.519 -9.041 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.400 -8.287 3.129 1.00 0.00 H new ATOM 831 N VAL A 55 10.243 -6.508 2.219 1.00 0.00 N ATOM 832 CA VAL A 55 8.837 -6.149 2.081 1.00 0.00 C ATOM 833 C VAL A 55 8.612 -5.266 0.859 1.00 0.00 C ATOM 834 O VAL A 55 7.673 -5.478 0.092 1.00 0.00 O ATOM 835 CB VAL A 55 8.319 -5.415 3.333 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.861 -5.019 3.155 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.498 -6.281 4.570 1.00 0.00 C ATOM 0 H VAL A 55 10.602 -6.447 3.172 1.00 0.00 H new ATOM 0 HA VAL A 55 8.284 -7.080 1.960 1.00 0.00 H new ATOM 0 HB VAL A 55 8.904 -4.505 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.513 -4.502 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.766 -4.358 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.258 -5.913 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.127 -5.747 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.940 -7.209 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.555 -6.508 4.705 1.00 0.00 H new ATOM 847 N ARG A 56 9.481 -4.276 0.683 1.00 0.00 N ATOM 848 CA ARG A 56 9.377 -3.360 -0.447 1.00 0.00 C ATOM 849 C ARG A 56 9.487 -4.113 -1.769 1.00 0.00 C ATOM 850 O ARG A 56 8.723 -3.865 -2.702 1.00 0.00 O ATOM 851 CB ARG A 56 10.468 -2.291 -0.365 1.00 0.00 C ATOM 852 CG ARG A 56 10.199 -1.225 0.685 1.00 0.00 C ATOM 853 CD ARG A 56 11.300 -0.177 0.710 1.00 0.00 C ATOM 854 NE ARG A 56 11.308 0.579 1.960 1.00 0.00 N ATOM 855 CZ ARG A 56 10.494 1.599 2.207 1.00 0.00 C ATOM 856 NH1 ARG A 56 9.611 1.982 1.295 1.00 0.00 N ATOM 857 NH2 ARG A 56 10.561 2.237 3.368 1.00 0.00 N ATOM 0 H ARG A 56 10.265 -4.088 1.308 1.00 0.00 H new ATOM 0 HA ARG A 56 8.400 -2.878 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.421 -2.773 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.570 -1.812 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.242 -0.744 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.117 -1.692 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.266 -0.663 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.167 0.508 -0.127 1.00 0.00 H new ATOM 0 HE ARG A 56 11.975 0.309 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.556 1.493 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.987 2.766 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.238 1.944 4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.935 3.020 3.556 1.00 0.00 H new ATOM 871 N LYS A 57 10.442 -5.034 -1.842 1.00 0.00 N ATOM 872 CA LYS A 57 10.652 -5.825 -3.049 1.00 0.00 C ATOM 873 C LYS A 57 9.458 -6.736 -3.318 1.00 0.00 C ATOM 874 O LYS A 57 8.866 -6.698 -4.397 1.00 0.00 O ATOM 875 CB LYS A 57 11.926 -6.662 -2.920 1.00 0.00 C ATOM 876 CG LYS A 57 13.202 -5.864 -3.128 1.00 0.00 C ATOM 877 CD LYS A 57 14.378 -6.768 -3.454 1.00 0.00 C ATOM 878 CE LYS A 57 14.963 -7.398 -2.199 1.00 0.00 C ATOM 879 NZ LYS A 57 16.421 -7.666 -2.340 1.00 0.00 N ATOM 0 H LYS A 57 11.083 -5.251 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 57 10.759 -5.138 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.951 -7.120 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.893 -7.474 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.057 -5.148 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.423 -5.288 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.056 -7.552 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.149 -6.193 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.796 -6.736 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.442 -8.331 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.781 -8.095 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.579 -8.318 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.922 -6.773 -2.520 1.00 0.00 H new ATOM 893 N PHE A 58 9.108 -7.552 -2.329 1.00 0.00 N ATOM 894 CA PHE A 58 7.985 -8.472 -2.459 1.00 0.00 C ATOM 895 C PHE A 58 6.833 -7.821 -3.220 1.00 0.00 C ATOM 896 O PHE A 58 6.163 -8.467 -4.025 1.00 0.00 O ATOM 897 CB PHE A 58 7.506 -8.925 -1.078 1.00 0.00 C ATOM 898 CG PHE A 58 6.473 -10.013 -1.128 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.724 -11.194 -1.807 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.250 -9.855 -0.496 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.775 -12.198 -1.855 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.297 -10.856 -0.540 1.00 0.00 C ATOM 903 CZ PHE A 58 4.560 -12.028 -1.222 1.00 0.00 C ATOM 0 H PHE A 58 9.586 -7.595 -1.429 1.00 0.00 H new ATOM 0 HA PHE A 58 8.324 -9.342 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.363 -9.275 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.093 -8.068 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.672 -11.332 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.039 -8.940 0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.984 -13.114 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.348 -10.722 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.816 -12.810 -1.260 1.00 0.00 H new ATOM 913 N ALA A 59 6.610 -6.537 -2.958 1.00 0.00 N ATOM 914 CA ALA A 59 5.542 -5.797 -3.618 1.00 0.00 C ATOM 915 C ALA A 59 5.972 -5.335 -5.006 1.00 0.00 C ATOM 916 O ALA A 59 5.255 -5.536 -5.987 1.00 0.00 O ATOM 917 CB ALA A 59 5.122 -4.607 -2.770 1.00 0.00 C ATOM 0 H ALA A 59 7.155 -5.988 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 59 4.688 -6.465 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.324 -4.064 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.765 -4.958 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.975 -3.945 -2.624 1.00 0.00 H new ATOM 923 N ARG A 60 7.144 -4.713 -5.082 1.00 0.00 N ATOM 924 CA ARG A 60 7.668 -4.220 -6.350 1.00 0.00 C ATOM 925 C ARG A 60 7.329 -5.179 -7.487 1.00 0.00 C ATOM 926 O ARG A 60 6.623 -4.817 -8.429 1.00 0.00 O ATOM 927 CB ARG A 60 9.183 -4.032 -6.261 1.00 0.00 C ATOM 928 CG ARG A 60 9.599 -2.791 -5.487 1.00 0.00 C ATOM 929 CD ARG A 60 9.727 -1.582 -6.400 1.00 0.00 C ATOM 930 NE ARG A 60 8.449 -0.901 -6.589 1.00 0.00 N ATOM 931 CZ ARG A 60 8.342 0.367 -6.971 1.00 0.00 C ATOM 932 NH1 ARG A 60 9.430 1.087 -7.205 1.00 0.00 N ATOM 933 NH2 ARG A 60 7.143 0.916 -7.122 1.00 0.00 N ATOM 0 H ARG A 60 7.749 -4.538 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 60 7.201 -3.257 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.622 -4.910 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.593 -3.976 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.865 -2.584 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.551 -2.974 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.451 -0.884 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.116 -1.898 -7.368 1.00 0.00 H new ATOM 0 HE ARG A 60 7.592 -1.427 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.353 0.668 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.344 2.060 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.304 0.364 -6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.061 1.889 -7.415 1.00 0.00 H new ATOM 947 N LEU A 61 7.838 -6.403 -7.394 1.00 0.00 N ATOM 948 CA LEU A 61 7.590 -7.415 -8.415 1.00 0.00 C ATOM 949 C LEU A 61 6.094 -7.594 -8.652 1.00 0.00 C ATOM 950 O LEU A 61 5.652 -7.768 -9.787 1.00 0.00 O ATOM 951 CB LEU A 61 8.216 -8.748 -8.003 1.00 0.00 C ATOM 952 CG LEU A 61 7.492 -9.516 -6.897 1.00 0.00 C ATOM 953 CD1 LEU A 61 6.347 -10.333 -7.476 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.464 -10.415 -6.147 1.00 0.00 C ATOM 0 H LEU A 61 8.425 -6.718 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 61 8.049 -7.078 -9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.273 -9.387 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.239 -8.561 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 61 7.077 -8.795 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.843 -10.873 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.637 -9.667 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.739 -11.045 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.931 -10.954 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.908 -11.129 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.250 -9.807 -5.699 1.00 0.00 H new