USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 312 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.176 K(o=0.18,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= -0.0732 K(o=-0.073,f=-1.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0248 (180deg=-0.282) USER MOD Single : A 34 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 6.066 -4.200 -6.120 1.00 0.00 N ATOM 96 CA VAL A 3 4.729 -3.795 -5.706 1.00 0.00 C ATOM 97 C VAL A 3 3.675 -4.772 -6.217 1.00 0.00 C ATOM 98 O VAL A 3 2.646 -4.982 -5.574 1.00 0.00 O ATOM 99 CB VAL A 3 4.389 -2.380 -6.211 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.451 -2.326 -7.730 1.00 0.00 C ATOM 101 CG2 VAL A 3 3.019 -1.950 -5.710 1.00 0.00 C ATOM 0 HA VAL A 3 4.722 -3.795 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 3 5.130 -1.685 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.208 -1.319 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.455 -2.588 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.734 -3.032 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.796 -0.948 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.263 -2.646 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.015 -1.947 -4.620 1.00 0.00 H new ATOM 111 N ARG A 4 3.940 -5.366 -7.376 1.00 0.00 N ATOM 112 CA ARG A 4 3.014 -6.320 -7.974 1.00 0.00 C ATOM 113 C ARG A 4 2.986 -7.622 -7.178 1.00 0.00 C ATOM 114 O ARG A 4 2.083 -8.442 -7.342 1.00 0.00 O ATOM 115 CB ARG A 4 3.408 -6.605 -9.424 1.00 0.00 C ATOM 116 CG ARG A 4 4.834 -7.108 -9.581 1.00 0.00 C ATOM 117 CD ARG A 4 4.999 -7.929 -10.850 1.00 0.00 C ATOM 118 NE ARG A 4 5.344 -7.096 -11.999 1.00 0.00 N ATOM 119 CZ ARG A 4 5.401 -7.552 -13.246 1.00 0.00 C ATOM 120 NH1 ARG A 4 5.136 -8.825 -13.503 1.00 0.00 N ATOM 121 NH2 ARG A 4 5.722 -6.732 -14.239 1.00 0.00 N ATOM 0 H ARG A 4 4.788 -5.203 -7.919 1.00 0.00 H new ATOM 0 HA ARG A 4 2.017 -5.881 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.723 -7.345 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.287 -5.694 -10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.519 -6.261 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.104 -7.714 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.776 -8.678 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.074 -8.467 -11.057 1.00 0.00 H new ATOM 0 HE ARG A 4 5.552 -6.111 -11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.887 -9.458 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.181 -9.172 -14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.925 -5.751 -14.045 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.766 -7.082 -15.196 1.00 0.00 H new ATOM 135 N ARG A 5 3.982 -7.804 -6.317 1.00 0.00 N ATOM 136 CA ARG A 5 4.072 -9.007 -5.497 1.00 0.00 C ATOM 137 C ARG A 5 3.493 -8.762 -4.107 1.00 0.00 C ATOM 138 O ARG A 5 2.988 -9.682 -3.462 1.00 0.00 O ATOM 139 CB ARG A 5 5.528 -9.462 -5.381 1.00 0.00 C ATOM 140 CG ARG A 5 5.783 -10.396 -4.210 1.00 0.00 C ATOM 141 CD ARG A 5 6.960 -11.320 -4.479 1.00 0.00 C ATOM 142 NE ARG A 5 7.508 -11.881 -3.247 1.00 0.00 N ATOM 143 CZ ARG A 5 8.534 -12.725 -3.217 1.00 0.00 C ATOM 144 NH1 ARG A 5 9.119 -13.103 -4.345 1.00 0.00 N ATOM 145 NH2 ARG A 5 8.975 -13.193 -2.056 1.00 0.00 N ATOM 0 H ARG A 5 4.737 -7.135 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 5 3.490 -9.791 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.818 -9.963 -6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.167 -8.585 -5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.977 -9.810 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.890 -10.990 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.642 -12.130 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.740 -10.770 -5.005 1.00 0.00 H new ATOM 0 HE ARG A 5 7.080 -11.610 -2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.782 -12.746 -5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.906 -13.751 -4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.526 -12.905 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.763 -13.841 -2.033 1.00 0.00 H new ATOM 159 N LEU A 6 3.569 -7.517 -3.651 1.00 0.00 N ATOM 160 CA LEU A 6 3.053 -7.150 -2.337 1.00 0.00 C ATOM 161 C LEU A 6 1.580 -7.527 -2.206 1.00 0.00 C ATOM 162 O LEU A 6 0.780 -7.273 -3.106 1.00 0.00 O ATOM 163 CB LEU A 6 3.230 -5.650 -2.097 1.00 0.00 C ATOM 164 CG LEU A 6 4.663 -5.172 -1.862 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.766 -3.669 -2.071 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.129 -5.551 -0.464 1.00 0.00 C ATOM 0 H LEU A 6 3.983 -6.744 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 6 3.619 -7.701 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.826 -5.115 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.628 -5.367 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 6 5.313 -5.664 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.793 -3.347 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.475 -3.423 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.104 -3.158 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.151 -5.203 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.476 -5.088 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.094 -6.634 -0.350 1.00 0.00 H new ATOM 178 N LYS A 7 1.229 -8.134 -1.077 1.00 0.00 N ATOM 179 CA LYS A 7 -0.148 -8.544 -0.825 1.00 0.00 C ATOM 180 C LYS A 7 -1.075 -7.334 -0.773 1.00 0.00 C ATOM 181 O LYS A 7 -0.619 -6.191 -0.730 1.00 0.00 O ATOM 182 CB LYS A 7 -0.237 -9.324 0.489 1.00 0.00 C ATOM 183 CG LYS A 7 0.121 -10.794 0.349 1.00 0.00 C ATOM 184 CD LYS A 7 1.622 -11.014 0.444 1.00 0.00 C ATOM 185 CE LYS A 7 2.064 -11.223 1.884 1.00 0.00 C ATOM 186 NZ LYS A 7 3.497 -10.870 2.081 1.00 0.00 N ATOM 0 H LYS A 7 1.879 -8.353 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.465 -9.188 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.428 -8.865 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.250 -9.241 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.382 -11.368 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.243 -11.168 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.902 -11.882 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.144 -10.155 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.446 -10.616 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.904 -12.264 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.759 -11.026 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.089 -11.467 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.645 -9.870 1.837 1.00 0.00 H new ATOM 200 N VAL A 8 -2.379 -7.592 -0.777 1.00 0.00 N ATOM 201 CA VAL A 8 -3.370 -6.524 -0.728 1.00 0.00 C ATOM 202 C VAL A 8 -3.211 -5.684 0.535 1.00 0.00 C ATOM 203 O VAL A 8 -3.350 -4.463 0.501 1.00 0.00 O ATOM 204 CB VAL A 8 -4.803 -7.086 -0.780 1.00 0.00 C ATOM 205 CG1 VAL A 8 -4.903 -8.200 -1.811 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.232 -7.579 0.593 1.00 0.00 C ATOM 0 H VAL A 8 -2.774 -8.532 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.202 -5.895 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.478 -6.285 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.923 -8.585 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.641 -7.810 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.218 -9.005 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.247 -7.973 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.555 -8.366 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.202 -6.752 1.302 1.00 0.00 H new ATOM 216 N ASN A 9 -2.918 -6.349 1.648 1.00 0.00 N ATOM 217 CA ASN A 9 -2.739 -5.663 2.923 1.00 0.00 C ATOM 218 C ASN A 9 -1.494 -4.781 2.897 1.00 0.00 C ATOM 219 O ASN A 9 -1.500 -3.668 3.421 1.00 0.00 O ATOM 220 CB ASN A 9 -2.634 -6.679 4.062 1.00 0.00 C ATOM 221 CG ASN A 9 -3.651 -7.797 3.934 1.00 0.00 C ATOM 222 OD1 ASN A 9 -3.484 -8.715 3.131 1.00 0.00 O ATOM 223 ND2 ASN A 9 -4.713 -7.724 4.729 1.00 0.00 N ATOM 0 H ASN A 9 -2.800 -7.361 1.693 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.609 -5.028 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.630 -7.104 4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.777 -6.169 5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.431 -8.447 4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.810 -6.945 5.380 1.00 0.00 H new ATOM 230 N GLU A 10 -0.430 -5.288 2.282 1.00 0.00 N ATOM 231 CA GLU A 10 0.822 -4.546 2.188 1.00 0.00 C ATOM 232 C GLU A 10 0.640 -3.274 1.364 1.00 0.00 C ATOM 233 O GLU A 10 1.099 -2.199 1.751 1.00 0.00 O ATOM 234 CB GLU A 10 1.913 -5.419 1.565 1.00 0.00 C ATOM 235 CG GLU A 10 2.421 -6.512 2.490 1.00 0.00 C ATOM 236 CD GLU A 10 3.264 -5.967 3.627 1.00 0.00 C ATOM 237 OE1 GLU A 10 4.444 -5.638 3.386 1.00 0.00 O ATOM 238 OE2 GLU A 10 2.743 -5.871 4.758 1.00 0.00 O ATOM 0 H GLU A 10 -0.410 -6.208 1.842 1.00 0.00 H new ATOM 0 HA GLU A 10 1.124 -4.265 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.525 -5.876 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.750 -4.785 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.572 -7.059 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.011 -7.225 1.914 1.00 0.00 H new ATOM 245 N LEU A 11 -0.032 -3.405 0.226 1.00 0.00 N ATOM 246 CA LEU A 11 -0.275 -2.268 -0.655 1.00 0.00 C ATOM 247 C LEU A 11 -1.169 -1.235 0.024 1.00 0.00 C ATOM 248 O LEU A 11 -0.940 -0.031 -0.090 1.00 0.00 O ATOM 249 CB LEU A 11 -0.918 -2.737 -1.961 1.00 0.00 C ATOM 250 CG LEU A 11 -0.114 -3.746 -2.781 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.014 -4.465 -3.774 1.00 0.00 C ATOM 252 CD2 LEU A 11 1.033 -3.054 -3.502 1.00 0.00 C ATOM 0 H LEU A 11 -0.419 -4.288 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 11 0.684 -1.801 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.887 -3.179 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.108 -1.863 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 11 0.305 -4.487 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.424 -5.179 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.800 -4.994 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.463 -3.738 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.594 -3.788 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.635 -2.292 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.693 -2.586 -2.771 1.00 0.00 H new ATOM 264 N ARG A 12 -2.187 -1.715 0.731 1.00 0.00 N ATOM 265 CA ARG A 12 -3.115 -0.833 1.429 1.00 0.00 C ATOM 266 C ARG A 12 -2.376 0.053 2.427 1.00 0.00 C ATOM 267 O ARG A 12 -2.664 1.243 2.547 1.00 0.00 O ATOM 268 CB ARG A 12 -4.184 -1.653 2.153 1.00 0.00 C ATOM 269 CG ARG A 12 -5.519 -0.938 2.279 1.00 0.00 C ATOM 270 CD ARG A 12 -6.650 -1.914 2.560 1.00 0.00 C ATOM 271 NE ARG A 12 -7.851 -1.237 3.043 1.00 0.00 N ATOM 272 CZ ARG A 12 -7.996 -0.797 4.287 1.00 0.00 C ATOM 273 NH1 ARG A 12 -7.020 -0.962 5.170 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.118 -0.190 4.651 1.00 0.00 N ATOM 0 H ARG A 12 -2.390 -2.709 0.836 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.596 -0.194 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.333 -2.592 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.822 -1.907 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.464 -0.202 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.729 -0.392 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.886 -2.466 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.323 -2.644 3.300 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.620 -1.095 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.156 -1.428 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.134 -0.623 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.871 -0.061 3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.228 0.148 5.607 1.00 0.00 H new ATOM 288 N GLU A 13 -1.422 -0.536 3.142 1.00 0.00 N ATOM 289 CA GLU A 13 -0.643 0.200 4.130 1.00 0.00 C ATOM 290 C GLU A 13 0.187 1.294 3.464 1.00 0.00 C ATOM 291 O GLU A 13 0.224 2.431 3.933 1.00 0.00 O ATOM 292 CB GLU A 13 0.272 -0.751 4.903 1.00 0.00 C ATOM 293 CG GLU A 13 -0.471 -1.672 5.856 1.00 0.00 C ATOM 294 CD GLU A 13 0.453 -2.362 6.840 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.367 -3.084 6.390 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.262 -2.180 8.061 1.00 0.00 O ATOM 0 H GLU A 13 -1.171 -1.521 3.055 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.338 0.669 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.836 -1.356 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.996 -0.165 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.216 -1.096 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.011 -2.425 5.281 1.00 0.00 H new ATOM 303 N GLU A 14 0.851 0.940 2.368 1.00 0.00 N ATOM 304 CA GLU A 14 1.682 1.891 1.639 1.00 0.00 C ATOM 305 C GLU A 14 0.845 3.054 1.114 1.00 0.00 C ATOM 306 O GLU A 14 1.254 4.213 1.191 1.00 0.00 O ATOM 307 CB GLU A 14 2.392 1.194 0.477 1.00 0.00 C ATOM 308 CG GLU A 14 3.358 0.107 0.917 1.00 0.00 C ATOM 309 CD GLU A 14 4.663 0.667 1.451 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.720 0.989 2.656 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.625 0.783 0.664 1.00 0.00 O ATOM 0 H GLU A 14 0.830 0.003 1.966 1.00 0.00 H new ATOM 0 HA GLU A 14 2.429 2.286 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.644 0.757 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.936 1.938 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.886 -0.503 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.567 -0.551 0.074 1.00 0.00 H new ATOM 318 N LEU A 15 -0.329 2.736 0.580 1.00 0.00 N ATOM 319 CA LEU A 15 -1.225 3.753 0.041 1.00 0.00 C ATOM 320 C LEU A 15 -1.740 4.667 1.148 1.00 0.00 C ATOM 321 O LEU A 15 -1.874 5.876 0.956 1.00 0.00 O ATOM 322 CB LEU A 15 -2.402 3.094 -0.680 1.00 0.00 C ATOM 323 CG LEU A 15 -2.111 2.545 -2.077 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.260 1.673 -2.558 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.856 3.682 -3.055 1.00 0.00 C ATOM 0 H LEU A 15 -0.683 1.782 0.509 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.662 4.357 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.771 2.277 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.208 3.823 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.213 1.930 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.035 1.291 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.395 0.838 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.175 2.264 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.651 3.272 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.735 4.324 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.999 4.266 -2.719 1.00 0.00 H new ATOM 337 N GLN A 16 -2.024 4.082 2.307 1.00 0.00 N ATOM 338 CA GLN A 16 -2.523 4.845 3.446 1.00 0.00 C ATOM 339 C GLN A 16 -1.450 5.787 3.981 1.00 0.00 C ATOM 340 O GLN A 16 -1.752 6.883 4.453 1.00 0.00 O ATOM 341 CB GLN A 16 -2.989 3.900 4.555 1.00 0.00 C ATOM 342 CG GLN A 16 -4.044 4.505 5.466 1.00 0.00 C ATOM 343 CD GLN A 16 -4.873 3.454 6.177 1.00 0.00 C ATOM 344 OE1 GLN A 16 -5.910 3.020 5.674 1.00 0.00 O ATOM 345 NE2 GLN A 16 -4.420 3.039 7.355 1.00 0.00 N ATOM 0 H GLN A 16 -1.917 3.083 2.482 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.370 5.443 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.388 2.992 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.128 3.605 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.558 5.141 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.702 5.145 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.556 3.426 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.936 2.333 7.880 1.00 0.00 H new ATOM 354 N ARG A 17 -0.196 5.352 3.906 1.00 0.00 N ATOM 355 CA ARG A 17 0.922 6.156 4.385 1.00 0.00 C ATOM 356 C ARG A 17 1.137 7.374 3.492 1.00 0.00 C ATOM 357 O ARG A 17 1.612 8.414 3.947 1.00 0.00 O ATOM 358 CB ARG A 17 2.198 5.315 4.435 1.00 0.00 C ATOM 359 CG ARG A 17 2.333 4.488 5.704 1.00 0.00 C ATOM 360 CD ARG A 17 3.279 3.314 5.506 1.00 0.00 C ATOM 361 NE ARG A 17 3.916 2.907 6.756 1.00 0.00 N ATOM 362 CZ ARG A 17 4.742 3.685 7.447 1.00 0.00 C ATOM 363 NH1 ARG A 17 5.029 4.904 7.012 1.00 0.00 N ATOM 364 NH2 ARG A 17 5.282 3.244 8.576 1.00 0.00 N ATOM 0 H ARG A 17 0.071 4.447 3.518 1.00 0.00 H new ATOM 0 HA ARG A 17 0.684 6.502 5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.218 4.648 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.061 5.974 4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.699 5.119 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.352 4.120 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.728 2.471 5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.046 3.585 4.780 1.00 0.00 H new ATOM 0 HE ARG A 17 3.716 1.975 7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.615 5.247 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.663 5.499 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.063 2.307 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.916 3.842 9.106 1.00 0.00 H new ATOM 378 N ARG A 18 0.786 7.236 2.217 1.00 0.00 N ATOM 379 CA ARG A 18 0.942 8.324 1.260 1.00 0.00 C ATOM 380 C ARG A 18 -0.343 9.139 1.147 1.00 0.00 C ATOM 381 O ARG A 18 -0.495 9.956 0.240 1.00 0.00 O ATOM 382 CB ARG A 18 1.330 7.772 -0.113 1.00 0.00 C ATOM 383 CG ARG A 18 2.741 7.207 -0.166 1.00 0.00 C ATOM 384 CD ARG A 18 3.236 7.079 -1.598 1.00 0.00 C ATOM 385 NE ARG A 18 4.690 7.186 -1.685 1.00 0.00 N ATOM 386 CZ ARG A 18 5.523 6.233 -1.280 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.047 5.109 -0.763 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.834 6.404 -1.392 1.00 0.00 N ATOM 0 H ARG A 18 0.392 6.381 1.824 1.00 0.00 H new ATOM 0 HA ARG A 18 1.736 8.978 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.624 6.990 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.238 8.566 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.414 7.854 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.761 6.230 0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.918 6.120 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.778 7.855 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 18 5.088 8.039 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.040 4.974 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.688 4.379 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.204 7.268 -1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.472 5.672 -1.081 1.00 0.00 H new ATOM 402 N GLY A 19 -1.266 8.909 2.076 1.00 0.00 N ATOM 403 CA GLY A 19 -2.527 9.629 2.063 1.00 0.00 C ATOM 404 C GLY A 19 -3.334 9.361 0.808 1.00 0.00 C ATOM 405 O GLY A 19 -4.088 10.221 0.350 1.00 0.00 O ATOM 0 H GLY A 19 -1.164 8.238 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.114 9.344 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.332 10.698 2.145 1.00 0.00 H new ATOM 409 N LEU A 20 -3.177 8.166 0.249 1.00 0.00 N ATOM 410 CA LEU A 20 -3.896 7.787 -0.962 1.00 0.00 C ATOM 411 C LEU A 20 -5.052 6.847 -0.636 1.00 0.00 C ATOM 412 O LEU A 20 -4.972 6.047 0.296 1.00 0.00 O ATOM 413 CB LEU A 20 -2.945 7.119 -1.956 1.00 0.00 C ATOM 414 CG LEU A 20 -1.801 7.988 -2.478 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.841 7.160 -3.318 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.346 9.158 -3.286 1.00 0.00 C ATOM 0 H LEU A 20 -2.558 7.443 0.615 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.303 8.692 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.517 6.236 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.528 6.771 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.253 8.385 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.033 7.796 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.425 6.357 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.375 6.733 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.518 9.766 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.918 8.780 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.993 9.767 -2.654 1.00 0.00 H new ATOM 428 N ASP A 21 -6.126 6.947 -1.412 1.00 0.00 N ATOM 429 CA ASP A 21 -7.298 6.104 -1.209 1.00 0.00 C ATOM 430 C ASP A 21 -6.894 4.641 -1.048 1.00 0.00 C ATOM 431 O ASP A 21 -6.033 4.140 -1.772 1.00 0.00 O ATOM 432 CB ASP A 21 -8.269 6.251 -2.381 1.00 0.00 C ATOM 433 CG ASP A 21 -9.694 5.901 -2.001 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.929 4.748 -1.582 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.574 6.778 -2.123 1.00 0.00 O ATOM 0 H ASP A 21 -6.209 7.604 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.794 6.429 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.236 7.276 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.946 5.607 -3.199 1.00 0.00 H new ATOM 440 N THR A 22 -7.520 3.961 -0.093 1.00 0.00 N ATOM 441 CA THR A 22 -7.225 2.557 0.164 1.00 0.00 C ATOM 442 C THR A 22 -8.366 1.660 -0.301 1.00 0.00 C ATOM 443 O THR A 22 -8.695 0.669 0.351 1.00 0.00 O ATOM 444 CB THR A 22 -6.965 2.303 1.661 1.00 0.00 C ATOM 445 OG1 THR A 22 -8.132 2.629 2.423 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.786 3.129 2.153 1.00 0.00 C ATOM 0 H THR A 22 -8.235 4.360 0.516 1.00 0.00 H new ATOM 0 HA THR A 22 -6.324 2.315 -0.400 1.00 0.00 H new ATOM 0 HB THR A 22 -6.729 1.247 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.959 2.463 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.621 2.933 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.892 2.858 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.998 4.188 2.009 1.00 0.00 H new ATOM 454 N ARG A 23 -8.968 2.015 -1.432 1.00 0.00 N ATOM 455 CA ARG A 23 -10.074 1.242 -1.983 1.00 0.00 C ATOM 456 C ARG A 23 -9.733 0.725 -3.378 1.00 0.00 C ATOM 457 O ARG A 23 -8.746 1.141 -3.982 1.00 0.00 O ATOM 458 CB ARG A 23 -11.342 2.095 -2.040 1.00 0.00 C ATOM 459 CG ARG A 23 -11.775 2.633 -0.686 1.00 0.00 C ATOM 460 CD ARG A 23 -13.042 3.466 -0.797 1.00 0.00 C ATOM 461 NE ARG A 23 -14.247 2.648 -0.683 1.00 0.00 N ATOM 462 CZ ARG A 23 -15.468 3.153 -0.551 1.00 0.00 C ATOM 463 NH1 ARG A 23 -15.646 4.467 -0.515 1.00 0.00 N ATOM 464 NH2 ARG A 23 -16.515 2.344 -0.454 1.00 0.00 N ATOM 0 H ARG A 23 -8.708 2.833 -1.984 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.249 0.387 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.176 2.932 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.152 1.499 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.943 1.803 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.975 3.240 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.045 4.227 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.049 3.990 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.145 1.633 -0.706 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.844 5.093 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.585 4.852 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.383 1.333 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.452 2.733 -0.353 1.00 0.00 H new ATOM 478 N GLY A 24 -10.559 -0.187 -3.884 1.00 0.00 N ATOM 479 CA GLY A 24 -10.328 -0.747 -5.203 1.00 0.00 C ATOM 480 C GLY A 24 -9.641 -2.096 -5.148 1.00 0.00 C ATOM 481 O GLY A 24 -9.053 -2.461 -4.129 1.00 0.00 O ATOM 0 H GLY A 24 -11.384 -0.548 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.281 -0.849 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.719 -0.056 -5.786 1.00 0.00 H new ATOM 485 N LEU A 25 -9.715 -2.842 -6.245 1.00 0.00 N ATOM 486 CA LEU A 25 -9.097 -4.161 -6.318 1.00 0.00 C ATOM 487 C LEU A 25 -7.587 -4.066 -6.122 1.00 0.00 C ATOM 488 O LEU A 25 -7.009 -2.980 -6.184 1.00 0.00 O ATOM 489 CB LEU A 25 -9.407 -4.818 -7.664 1.00 0.00 C ATOM 490 CG LEU A 25 -10.867 -5.208 -7.899 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.131 -5.418 -9.382 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.218 -6.461 -7.110 1.00 0.00 C ATOM 0 H LEU A 25 -10.197 -2.555 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.512 -4.774 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.101 -4.136 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.793 -5.713 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.502 -4.394 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.175 -5.695 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.920 -4.496 -9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.488 -6.214 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.261 -6.724 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.577 -7.283 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.068 -6.275 -6.046 1.00 0.00 H new ATOM 504 N LYS A 26 -6.953 -5.209 -5.887 1.00 0.00 N ATOM 505 CA LYS A 26 -5.509 -5.257 -5.685 1.00 0.00 C ATOM 506 C LYS A 26 -4.777 -4.555 -6.825 1.00 0.00 C ATOM 507 O LYS A 26 -3.950 -3.674 -6.593 1.00 0.00 O ATOM 508 CB LYS A 26 -5.037 -6.709 -5.579 1.00 0.00 C ATOM 509 CG LYS A 26 -3.541 -6.846 -5.353 1.00 0.00 C ATOM 510 CD LYS A 26 -3.005 -8.141 -5.940 1.00 0.00 C ATOM 511 CE LYS A 26 -1.513 -8.049 -6.224 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.220 -7.130 -7.359 1.00 0.00 N ATOM 0 H LYS A 26 -7.416 -6.116 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.279 -4.738 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.566 -7.196 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.308 -7.238 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.025 -5.999 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.329 -6.815 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.195 -8.961 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.538 -8.372 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.994 -7.700 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.125 -9.042 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.283 -7.352 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.943 -7.249 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.229 -6.147 -7.021 1.00 0.00 H new ATOM 526 N ALA A 27 -5.089 -4.951 -8.055 1.00 0.00 N ATOM 527 CA ALA A 27 -4.463 -4.357 -9.229 1.00 0.00 C ATOM 528 C ALA A 27 -4.604 -2.838 -9.218 1.00 0.00 C ATOM 529 O ALA A 27 -3.660 -2.116 -9.536 1.00 0.00 O ATOM 530 CB ALA A 27 -5.069 -4.936 -10.499 1.00 0.00 C ATOM 0 H ALA A 27 -5.771 -5.680 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.400 -4.597 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.592 -4.484 -11.369 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.911 -6.014 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.138 -4.725 -10.521 1.00 0.00 H new ATOM 536 N GLU A 28 -5.789 -2.361 -8.850 1.00 0.00 N ATOM 537 CA GLU A 28 -6.052 -0.928 -8.799 1.00 0.00 C ATOM 538 C GLU A 28 -5.186 -0.253 -7.739 1.00 0.00 C ATOM 539 O GLU A 28 -4.669 0.845 -7.951 1.00 0.00 O ATOM 540 CB GLU A 28 -7.532 -0.669 -8.505 1.00 0.00 C ATOM 541 CG GLU A 28 -8.451 -1.012 -9.665 1.00 0.00 C ATOM 542 CD GLU A 28 -9.883 -0.576 -9.422 1.00 0.00 C ATOM 543 OE1 GLU A 28 -10.426 -0.897 -8.344 1.00 0.00 O ATOM 544 OE2 GLU A 28 -10.461 0.086 -10.310 1.00 0.00 O ATOM 0 H GLU A 28 -6.581 -2.945 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.802 -0.504 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.828 -1.252 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.664 0.381 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.079 -0.536 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.427 -2.088 -9.837 1.00 0.00 H new ATOM 551 N LEU A 29 -5.034 -0.916 -6.598 1.00 0.00 N ATOM 552 CA LEU A 29 -4.231 -0.381 -5.504 1.00 0.00 C ATOM 553 C LEU A 29 -2.752 -0.351 -5.878 1.00 0.00 C ATOM 554 O LEU A 29 -2.028 0.575 -5.512 1.00 0.00 O ATOM 555 CB LEU A 29 -4.432 -1.219 -4.240 1.00 0.00 C ATOM 556 CG LEU A 29 -5.812 -1.127 -3.587 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.995 -2.241 -2.568 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.003 0.233 -2.933 1.00 0.00 C ATOM 0 H LEU A 29 -5.456 -1.825 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.559 0.640 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.237 -2.263 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.684 -0.919 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.569 -1.244 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.982 -2.160 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.902 -3.207 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.232 -2.156 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.990 0.280 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.240 0.380 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.916 1.015 -3.687 1.00 0.00 H new ATOM 570 N ALA A 30 -2.311 -1.369 -6.610 1.00 0.00 N ATOM 571 CA ALA A 30 -0.920 -1.456 -7.037 1.00 0.00 C ATOM 572 C ALA A 30 -0.562 -0.312 -7.979 1.00 0.00 C ATOM 573 O ALA A 30 0.465 0.344 -7.810 1.00 0.00 O ATOM 574 CB ALA A 30 -0.658 -2.797 -7.707 1.00 0.00 C ATOM 0 H ALA A 30 -2.897 -2.145 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.288 -1.374 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.384 -2.849 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.865 -3.602 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.305 -2.901 -8.578 1.00 0.00 H new ATOM 580 N GLU A 31 -1.416 -0.079 -8.971 1.00 0.00 N ATOM 581 CA GLU A 31 -1.187 0.985 -9.941 1.00 0.00 C ATOM 582 C GLU A 31 -1.171 2.350 -9.258 1.00 0.00 C ATOM 583 O GLU A 31 -0.345 3.206 -9.575 1.00 0.00 O ATOM 584 CB GLU A 31 -2.265 0.958 -11.026 1.00 0.00 C ATOM 585 CG GLU A 31 -2.252 -0.308 -11.866 1.00 0.00 C ATOM 586 CD GLU A 31 -2.764 -0.078 -13.275 1.00 0.00 C ATOM 587 OE1 GLU A 31 -2.041 0.551 -14.075 1.00 0.00 O ATOM 588 OE2 GLU A 31 -3.889 -0.529 -13.577 1.00 0.00 O ATOM 0 H GLU A 31 -2.272 -0.612 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.214 0.817 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.243 1.063 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.132 1.819 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.235 -0.699 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.864 -1.068 -11.380 1.00 0.00 H new ATOM 595 N ARG A 32 -2.091 2.545 -8.318 1.00 0.00 N ATOM 596 CA ARG A 32 -2.185 3.805 -7.591 1.00 0.00 C ATOM 597 C ARG A 32 -0.895 4.090 -6.829 1.00 0.00 C ATOM 598 O ARG A 32 -0.364 5.201 -6.878 1.00 0.00 O ATOM 599 CB ARG A 32 -3.367 3.771 -6.621 1.00 0.00 C ATOM 600 CG ARG A 32 -3.535 5.053 -5.821 1.00 0.00 C ATOM 601 CD ARG A 32 -4.821 5.039 -5.009 1.00 0.00 C ATOM 602 NE ARG A 32 -5.286 6.387 -4.697 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.713 7.248 -5.613 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.735 6.903 -6.893 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.121 8.458 -5.250 1.00 0.00 N ATOM 0 H ARG A 32 -2.781 1.846 -8.043 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.342 4.604 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.282 3.581 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.237 2.937 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.683 5.181 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.540 5.907 -6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.594 4.508 -5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.659 4.488 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.283 6.684 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.423 5.974 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.064 7.567 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.107 8.727 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.449 9.118 -5.955 1.00 0.00 H new ATOM 619 N LEU A 33 -0.396 3.081 -6.123 1.00 0.00 N ATOM 620 CA LEU A 33 0.833 3.223 -5.349 1.00 0.00 C ATOM 621 C LEU A 33 2.029 3.461 -6.265 1.00 0.00 C ATOM 622 O LEU A 33 2.867 4.321 -5.995 1.00 0.00 O ATOM 623 CB LEU A 33 1.069 1.975 -4.496 1.00 0.00 C ATOM 624 CG LEU A 33 2.471 1.820 -3.907 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.762 2.940 -2.920 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.620 0.462 -3.236 1.00 0.00 C ATOM 0 H LEU A 33 -0.823 2.156 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 33 0.723 4.087 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.351 1.979 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.853 1.097 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 33 3.195 1.883 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.764 2.813 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.697 3.901 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.033 2.910 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.624 0.369 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.887 0.370 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.456 -0.327 -3.970 1.00 0.00 H new ATOM 638 N GLN A 34 2.100 2.695 -7.348 1.00 0.00 N ATOM 639 CA GLN A 34 3.193 2.824 -8.304 1.00 0.00 C ATOM 640 C GLN A 34 3.241 4.231 -8.889 1.00 0.00 C ATOM 641 O GLN A 34 4.311 4.829 -9.006 1.00 0.00 O ATOM 642 CB GLN A 34 3.040 1.797 -9.428 1.00 0.00 C ATOM 643 CG GLN A 34 4.049 1.969 -10.552 1.00 0.00 C ATOM 644 CD GLN A 34 3.557 2.904 -11.639 1.00 0.00 C ATOM 645 OE1 GLN A 34 2.735 2.525 -12.474 1.00 0.00 O ATOM 646 NE2 GLN A 34 4.058 4.133 -11.635 1.00 0.00 N ATOM 0 H GLN A 34 1.414 1.979 -7.586 1.00 0.00 H new ATOM 0 HA GLN A 34 4.128 2.637 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.142 0.796 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.034 1.869 -9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.982 2.354 -10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.271 0.995 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.737 4.405 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.764 4.806 -12.343 1.00 0.00 H new ATOM 655 N ALA A 35 2.076 4.755 -9.256 1.00 0.00 N ATOM 656 CA ALA A 35 1.985 6.093 -9.827 1.00 0.00 C ATOM 657 C ALA A 35 2.595 7.132 -8.892 1.00 0.00 C ATOM 658 O ALA A 35 3.245 8.077 -9.338 1.00 0.00 O ATOM 659 CB ALA A 35 0.536 6.440 -10.131 1.00 0.00 C ATOM 0 H ALA A 35 1.182 4.273 -9.168 1.00 0.00 H new ATOM 0 HA ALA A 35 2.552 6.103 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.483 7.442 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.132 5.721 -10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.047 6.406 -9.211 1.00 0.00 H new ATOM 665 N ALA A 36 2.380 6.950 -7.593 1.00 0.00 N ATOM 666 CA ALA A 36 2.910 7.871 -6.595 1.00 0.00 C ATOM 667 C ALA A 36 4.395 7.625 -6.354 1.00 0.00 C ATOM 668 O ALA A 36 5.169 8.565 -6.170 1.00 0.00 O ATOM 669 CB ALA A 36 2.133 7.742 -5.293 1.00 0.00 C ATOM 0 H ALA A 36 1.843 6.173 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 36 2.794 8.886 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.539 8.435 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.083 7.976 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.219 6.722 -4.917 1.00 0.00 H new ATOM 675 N LEU A 37 4.787 6.356 -6.356 1.00 0.00 N ATOM 676 CA LEU A 37 6.181 5.985 -6.137 1.00 0.00 C ATOM 677 C LEU A 37 7.070 6.522 -7.254 1.00 0.00 C ATOM 678 O LEU A 37 8.120 7.111 -6.997 1.00 0.00 O ATOM 679 CB LEU A 37 6.318 4.464 -6.048 1.00 0.00 C ATOM 680 CG LEU A 37 5.901 3.829 -4.721 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.951 2.312 -4.816 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.792 4.324 -3.590 1.00 0.00 C ATOM 0 H LEU A 37 4.159 5.566 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 37 6.504 6.428 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.722 4.018 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.358 4.201 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 37 4.875 4.125 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.651 1.878 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.272 1.974 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.966 1.996 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.481 3.862 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.828 4.058 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.706 5.407 -3.506 1.00 0.00 H new