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 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0229) USER MOD Single : A 34 GLN : amide:sc= -0.455 K(o=-0.46,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 5.925 -4.043 -7.066 1.00 0.00 N ATOM 96 CA VAL A 3 4.760 -3.690 -6.265 1.00 0.00 C ATOM 97 C VAL A 3 3.697 -4.781 -6.331 1.00 0.00 C ATOM 98 O VAL A 3 2.957 -5.000 -5.371 1.00 0.00 O ATOM 99 CB VAL A 3 4.142 -2.358 -6.729 1.00 0.00 C ATOM 100 CG1 VAL A 3 3.676 -2.460 -8.173 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.992 -1.958 -5.816 1.00 0.00 C ATOM 0 HA VAL A 3 5.104 -3.583 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 3 4.907 -1.583 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.242 -1.509 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.525 -2.698 -8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.926 -3.246 -8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.567 -1.015 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.224 -2.731 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.360 -1.841 -4.797 1.00 0.00 H new ATOM 111 N ARG A 4 3.626 -5.463 -7.469 1.00 0.00 N ATOM 112 CA ARG A 4 2.653 -6.531 -7.662 1.00 0.00 C ATOM 113 C ARG A 4 2.829 -7.623 -6.610 1.00 0.00 C ATOM 114 O ARG A 4 1.863 -8.267 -6.202 1.00 0.00 O ATOM 115 CB ARG A 4 2.792 -7.131 -9.062 1.00 0.00 C ATOM 116 CG ARG A 4 2.339 -6.196 -10.172 1.00 0.00 C ATOM 117 CD ARG A 4 1.915 -6.968 -11.412 1.00 0.00 C ATOM 118 NE ARG A 4 0.615 -7.611 -11.239 1.00 0.00 N ATOM 119 CZ ARG A 4 0.151 -8.559 -12.045 1.00 0.00 C ATOM 120 NH1 ARG A 4 0.877 -8.973 -13.074 1.00 0.00 N ATOM 121 NH2 ARG A 4 -1.042 -9.096 -11.822 1.00 0.00 N ATOM 0 H ARG A 4 4.232 -5.295 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 4 1.656 -6.103 -7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.834 -7.403 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.210 -8.051 -9.113 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.507 -5.587 -9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.149 -5.513 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.873 -6.290 -12.264 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.666 -7.724 -11.642 1.00 0.00 H new ATOM 0 HE ARG A 4 0.032 -7.316 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.795 -8.563 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.518 -9.701 -13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.603 -8.781 -11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.397 -9.824 -12.442 1.00 0.00 H new ATOM 135 N ARG A 5 4.069 -7.824 -6.175 1.00 0.00 N ATOM 136 CA ARG A 5 4.372 -8.838 -5.172 1.00 0.00 C ATOM 137 C ARG A 5 3.770 -8.463 -3.821 1.00 0.00 C ATOM 138 O ARG A 5 3.432 -9.333 -3.017 1.00 0.00 O ATOM 139 CB ARG A 5 5.885 -9.016 -5.037 1.00 0.00 C ATOM 140 CG ARG A 5 6.554 -9.523 -6.304 1.00 0.00 C ATOM 141 CD ARG A 5 6.313 -11.011 -6.504 1.00 0.00 C ATOM 142 NE ARG A 5 7.404 -11.649 -7.237 1.00 0.00 N ATOM 143 CZ ARG A 5 7.340 -12.884 -7.722 1.00 0.00 C ATOM 144 NH1 ARG A 5 6.244 -13.610 -7.554 1.00 0.00 N ATOM 145 NH2 ARG A 5 8.374 -13.394 -8.378 1.00 0.00 N ATOM 0 H ARG A 5 4.880 -7.298 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 5 3.930 -9.780 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.331 -8.061 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.089 -9.713 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.172 -8.973 -7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.626 -9.330 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.198 -11.493 -5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.378 -11.157 -7.045 1.00 0.00 H new ATOM 0 HE ARG A 5 8.262 -11.117 -7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.447 -13.221 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.198 -14.558 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.219 -12.838 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.324 -14.342 -8.750 1.00 0.00 H new ATOM 159 N LEU A 6 3.639 -7.164 -3.578 1.00 0.00 N ATOM 160 CA LEU A 6 3.078 -6.673 -2.324 1.00 0.00 C ATOM 161 C LEU A 6 1.590 -6.995 -2.230 1.00 0.00 C ATOM 162 O LEU A 6 0.773 -6.422 -2.950 1.00 0.00 O ATOM 163 CB LEU A 6 3.294 -5.164 -2.202 1.00 0.00 C ATOM 164 CG LEU A 6 4.748 -4.698 -2.127 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.830 -3.184 -2.243 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.394 -5.171 -0.833 1.00 0.00 C ATOM 0 H LEU A 6 3.914 -6.431 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 6 3.592 -7.174 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.822 -4.679 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.775 -4.814 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 6 5.293 -5.136 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.873 -2.871 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.407 -2.869 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.270 -2.726 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.429 -4.830 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.848 -4.762 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.369 -6.260 -0.791 1.00 0.00 H new ATOM 178 N LYS A 7 1.244 -7.915 -1.335 1.00 0.00 N ATOM 179 CA LYS A 7 -0.146 -8.312 -1.143 1.00 0.00 C ATOM 180 C LYS A 7 -1.037 -7.090 -0.944 1.00 0.00 C ATOM 181 O LYS A 7 -0.549 -5.973 -0.779 1.00 0.00 O ATOM 182 CB LYS A 7 -0.268 -9.248 0.061 1.00 0.00 C ATOM 183 CG LYS A 7 0.439 -10.579 -0.129 1.00 0.00 C ATOM 184 CD LYS A 7 -0.286 -11.458 -1.134 1.00 0.00 C ATOM 185 CE LYS A 7 0.633 -12.527 -1.705 1.00 0.00 C ATOM 186 NZ LYS A 7 -0.125 -13.571 -2.448 1.00 0.00 N ATOM 0 H LYS A 7 1.908 -8.400 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.476 -8.838 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.142 -8.751 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.323 -9.432 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.460 -10.404 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.505 -11.097 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.142 -11.932 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.676 -10.841 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.360 -12.063 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.195 -12.993 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.537 -14.281 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.801 -14.032 -1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.641 -13.130 -3.236 1.00 0.00 H new ATOM 200 N VAL A 8 -2.348 -7.311 -0.959 1.00 0.00 N ATOM 201 CA VAL A 8 -3.308 -6.229 -0.777 1.00 0.00 C ATOM 202 C VAL A 8 -3.039 -5.468 0.517 1.00 0.00 C ATOM 203 O VAL A 8 -3.108 -4.240 0.552 1.00 0.00 O ATOM 204 CB VAL A 8 -4.754 -6.759 -0.757 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.121 -7.361 -2.104 1.00 0.00 C ATOM 206 CG2 VAL A 8 -4.932 -7.778 0.358 1.00 0.00 C ATOM 0 H VAL A 8 -2.769 -8.230 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.188 -5.554 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.426 -5.923 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.146 -7.730 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.035 -6.599 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.446 -8.186 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.959 -8.142 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.251 -8.614 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.714 -7.309 1.318 1.00 0.00 H new ATOM 216 N ASN A 9 -2.732 -6.206 1.578 1.00 0.00 N ATOM 217 CA ASN A 9 -2.453 -5.600 2.875 1.00 0.00 C ATOM 218 C ASN A 9 -1.235 -4.685 2.797 1.00 0.00 C ATOM 219 O ASN A 9 -1.209 -3.617 3.408 1.00 0.00 O ATOM 220 CB ASN A 9 -2.223 -6.685 3.929 1.00 0.00 C ATOM 221 CG ASN A 9 -3.476 -7.490 4.214 1.00 0.00 C ATOM 222 OD1 ASN A 9 -4.503 -6.940 4.612 1.00 0.00 O ATOM 223 ND2 ASN A 9 -3.397 -8.800 4.010 1.00 0.00 N ATOM 0 H ASN A 9 -2.670 -7.224 1.566 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.317 -5.001 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.433 -7.355 3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.874 -6.223 4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.208 -9.393 4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.525 -9.213 3.679 1.00 0.00 H new ATOM 230 N GLU A 10 -0.228 -5.112 2.041 1.00 0.00 N ATOM 231 CA GLU A 10 0.993 -4.331 1.883 1.00 0.00 C ATOM 232 C GLU A 10 0.725 -3.058 1.085 1.00 0.00 C ATOM 233 O GLU A 10 1.221 -1.982 1.425 1.00 0.00 O ATOM 234 CB GLU A 10 2.072 -5.164 1.189 1.00 0.00 C ATOM 235 CG GLU A 10 2.579 -6.324 2.028 1.00 0.00 C ATOM 236 CD GLU A 10 3.625 -5.899 3.040 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.527 -4.764 3.552 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.541 -6.700 3.321 1.00 0.00 O ATOM 0 H GLU A 10 -0.234 -5.994 1.529 1.00 0.00 H new ATOM 0 HA GLU A 10 1.345 -4.050 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.673 -5.552 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.911 -4.517 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.740 -6.784 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.002 -7.085 1.372 1.00 0.00 H new ATOM 245 N LEU A 11 -0.061 -3.188 0.022 1.00 0.00 N ATOM 246 CA LEU A 11 -0.395 -2.049 -0.826 1.00 0.00 C ATOM 247 C LEU A 11 -1.273 -1.051 -0.077 1.00 0.00 C ATOM 248 O LEU A 11 -1.039 0.156 -0.127 1.00 0.00 O ATOM 249 CB LEU A 11 -1.109 -2.523 -2.093 1.00 0.00 C ATOM 250 CG LEU A 11 -0.395 -3.608 -2.899 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.354 -4.261 -3.883 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.806 -3.026 -3.629 1.00 0.00 C ATOM 0 H LEU A 11 -0.479 -4.070 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 11 0.534 -1.551 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.094 -2.896 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.267 -1.661 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.040 -4.373 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.828 -5.031 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.182 -4.713 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.740 -3.507 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.302 -3.812 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.474 -2.241 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.504 -2.607 -2.904 1.00 0.00 H new ATOM 264 N ARG A 12 -2.283 -1.564 0.618 1.00 0.00 N ATOM 265 CA ARG A 12 -3.195 -0.719 1.378 1.00 0.00 C ATOM 266 C ARG A 12 -2.453 0.024 2.485 1.00 0.00 C ATOM 267 O ARG A 12 -2.709 1.202 2.735 1.00 0.00 O ATOM 268 CB ARG A 12 -4.322 -1.560 1.981 1.00 0.00 C ATOM 269 CG ARG A 12 -5.353 -2.017 0.962 1.00 0.00 C ATOM 270 CD ARG A 12 -6.400 -2.919 1.595 1.00 0.00 C ATOM 271 NE ARG A 12 -7.693 -2.811 0.925 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.815 -3.340 1.403 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.801 -4.010 2.547 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.953 -3.198 0.735 1.00 0.00 N ATOM 0 H ARG A 12 -2.490 -2.561 0.670 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.624 0.015 0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.891 -2.435 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.822 -0.980 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.840 -1.147 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.854 -2.549 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.058 -3.953 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.514 -2.659 2.647 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.738 -2.302 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.928 -4.121 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.663 -4.415 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.967 -2.683 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.814 -3.604 1.102 1.00 0.00 H new ATOM 288 N GLU A 13 -1.533 -0.673 3.145 1.00 0.00 N ATOM 289 CA GLU A 13 -0.755 -0.079 4.226 1.00 0.00 C ATOM 290 C GLU A 13 0.116 1.061 3.706 1.00 0.00 C ATOM 291 O GLU A 13 0.220 2.112 4.336 1.00 0.00 O ATOM 292 CB GLU A 13 0.120 -1.140 4.897 1.00 0.00 C ATOM 293 CG GLU A 13 -0.666 -2.139 5.730 1.00 0.00 C ATOM 294 CD GLU A 13 -0.943 -1.638 7.134 1.00 0.00 C ATOM 295 OE1 GLU A 13 -0.131 -0.844 7.653 1.00 0.00 O ATOM 296 OE2 GLU A 13 -1.973 -2.040 7.714 1.00 0.00 O ATOM 0 H GLU A 13 -1.308 -1.649 2.950 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.451 0.325 4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.677 -1.678 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.853 -0.645 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.611 -2.357 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.112 -3.076 5.785 1.00 0.00 H new ATOM 303 N GLU A 14 0.741 0.842 2.553 1.00 0.00 N ATOM 304 CA GLU A 14 1.605 1.850 1.950 1.00 0.00 C ATOM 305 C GLU A 14 0.798 3.074 1.527 1.00 0.00 C ATOM 306 O GLU A 14 1.199 4.212 1.775 1.00 0.00 O ATOM 307 CB GLU A 14 2.339 1.266 0.741 1.00 0.00 C ATOM 308 CG GLU A 14 3.470 0.323 1.114 1.00 0.00 C ATOM 309 CD GLU A 14 4.573 1.013 1.892 1.00 0.00 C ATOM 310 OE1 GLU A 14 5.422 1.675 1.260 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.587 0.890 3.135 1.00 0.00 O ATOM 0 H GLU A 14 0.665 -0.023 2.019 1.00 0.00 H new ATOM 0 HA GLU A 14 2.337 2.159 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.624 0.732 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.741 2.083 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.071 -0.499 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.889 -0.113 0.207 1.00 0.00 H new ATOM 318 N LEU A 15 -0.340 2.833 0.886 1.00 0.00 N ATOM 319 CA LEU A 15 -1.204 3.915 0.427 1.00 0.00 C ATOM 320 C LEU A 15 -1.680 4.767 1.599 1.00 0.00 C ATOM 321 O LEU A 15 -1.822 5.983 1.477 1.00 0.00 O ATOM 322 CB LEU A 15 -2.407 3.348 -0.328 1.00 0.00 C ATOM 323 CG LEU A 15 -2.107 2.700 -1.680 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.279 1.844 -2.134 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.786 3.763 -2.722 1.00 0.00 C ATOM 0 H LEU A 15 -0.686 1.898 0.672 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.626 4.548 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.893 2.608 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.124 4.153 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.235 2.056 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.047 1.391 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.463 1.060 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.168 2.467 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.575 3.284 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.638 4.433 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.914 4.334 -2.402 1.00 0.00 H new ATOM 337 N GLN A 16 -1.923 4.119 2.734 1.00 0.00 N ATOM 338 CA GLN A 16 -2.381 4.818 3.929 1.00 0.00 C ATOM 339 C GLN A 16 -1.326 5.801 4.423 1.00 0.00 C ATOM 340 O GLN A 16 -1.638 6.942 4.766 1.00 0.00 O ATOM 341 CB GLN A 16 -2.719 3.815 5.034 1.00 0.00 C ATOM 342 CG GLN A 16 -4.163 3.342 5.006 1.00 0.00 C ATOM 343 CD GLN A 16 -4.441 2.255 6.025 1.00 0.00 C ATOM 344 OE1 GLN A 16 -3.711 2.107 7.006 1.00 0.00 O ATOM 345 NE2 GLN A 16 -5.501 1.488 5.799 1.00 0.00 N ATOM 0 H GLN A 16 -1.810 3.112 2.851 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.279 5.378 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.061 2.951 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.514 4.271 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.822 4.189 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.400 2.970 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.078 1.646 4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.738 0.741 6.451 1.00 0.00 H new ATOM 354 N ARG A 17 -0.075 5.352 4.457 1.00 0.00 N ATOM 355 CA ARG A 17 1.026 6.192 4.911 1.00 0.00 C ATOM 356 C ARG A 17 1.192 7.408 4.005 1.00 0.00 C ATOM 357 O ARG A 17 1.423 8.521 4.479 1.00 0.00 O ATOM 358 CB ARG A 17 2.328 5.388 4.947 1.00 0.00 C ATOM 359 CG ARG A 17 2.559 4.662 6.262 1.00 0.00 C ATOM 360 CD ARG A 17 1.894 3.294 6.268 1.00 0.00 C ATOM 361 NE ARG A 17 2.210 2.537 7.476 1.00 0.00 N ATOM 362 CZ ARG A 17 1.682 2.799 8.666 1.00 0.00 C ATOM 363 NH1 ARG A 17 0.818 3.794 8.807 1.00 0.00 N ATOM 364 NH2 ARG A 17 2.019 2.065 9.719 1.00 0.00 N ATOM 0 H ARG A 17 0.201 4.411 4.175 1.00 0.00 H new ATOM 0 HA ARG A 17 0.793 6.540 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.318 4.659 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.166 6.060 4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.630 4.548 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.167 5.262 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.814 3.416 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.216 2.730 5.392 1.00 0.00 H new ATOM 0 HE ARG A 17 2.872 1.765 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.557 4.361 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.414 3.993 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.684 1.299 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.613 2.267 10.633 1.00 0.00 H new ATOM 378 N ARG A 18 1.073 7.188 2.700 1.00 0.00 N ATOM 379 CA ARG A 18 1.211 8.265 1.727 1.00 0.00 C ATOM 380 C ARG A 18 -0.027 9.157 1.724 1.00 0.00 C ATOM 381 O ARG A 18 0.055 10.349 1.432 1.00 0.00 O ATOM 382 CB ARG A 18 1.443 7.691 0.328 1.00 0.00 C ATOM 383 CG ARG A 18 2.890 7.313 0.057 1.00 0.00 C ATOM 384 CD ARG A 18 3.159 7.175 -1.434 1.00 0.00 C ATOM 385 NE ARG A 18 4.540 7.510 -1.773 1.00 0.00 N ATOM 386 CZ ARG A 18 4.997 8.755 -1.849 1.00 0.00 C ATOM 387 NH1 ARG A 18 4.188 9.778 -1.611 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.267 8.978 -2.164 1.00 0.00 N ATOM 0 H ARG A 18 0.881 6.273 2.292 1.00 0.00 H new ATOM 0 HA ARG A 18 2.072 8.869 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.816 6.809 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.123 8.423 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.550 8.071 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.122 6.373 0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.946 6.153 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.482 7.826 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 18 5.189 6.746 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.211 9.610 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.542 10.733 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.892 8.193 -2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.618 9.934 -2.222 1.00 0.00 H new ATOM 402 N GLY A 19 -1.174 8.570 2.052 1.00 0.00 N ATOM 403 CA GLY A 19 -2.412 9.325 2.080 1.00 0.00 C ATOM 404 C GLY A 19 -3.240 9.130 0.825 1.00 0.00 C ATOM 405 O GLY A 19 -4.085 9.962 0.494 1.00 0.00 O ATOM 0 H GLY A 19 -1.267 7.585 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.998 9.024 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.185 10.384 2.201 1.00 0.00 H new ATOM 409 N LEU A 20 -2.996 8.028 0.124 1.00 0.00 N ATOM 410 CA LEU A 20 -3.724 7.726 -1.104 1.00 0.00 C ATOM 411 C LEU A 20 -4.908 6.807 -0.822 1.00 0.00 C ATOM 412 O LEU A 20 -4.866 5.987 0.096 1.00 0.00 O ATOM 413 CB LEU A 20 -2.791 7.076 -2.127 1.00 0.00 C ATOM 414 CG LEU A 20 -1.517 7.853 -2.461 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.490 6.938 -3.111 1.00 0.00 C ATOM 416 CD2 LEU A 20 -1.834 9.032 -3.370 1.00 0.00 C ATOM 0 H LEU A 20 -2.300 7.329 0.385 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.104 8.663 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.506 6.092 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.349 6.919 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.095 8.239 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.410 7.508 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.241 6.127 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.903 6.523 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.916 9.573 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.279 8.668 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.534 9.700 -2.869 1.00 0.00 H new ATOM 428 N ASP A 21 -5.962 6.946 -1.619 1.00 0.00 N ATOM 429 CA ASP A 21 -7.157 6.126 -1.458 1.00 0.00 C ATOM 430 C ASP A 21 -6.790 4.651 -1.329 1.00 0.00 C ATOM 431 O ASP A 21 -5.929 4.148 -2.053 1.00 0.00 O ATOM 432 CB ASP A 21 -8.103 6.327 -2.642 1.00 0.00 C ATOM 433 CG ASP A 21 -9.537 5.969 -2.305 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.760 4.870 -1.756 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.436 6.787 -2.591 1.00 0.00 O ATOM 0 H ASP A 21 -6.013 7.619 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.661 6.438 -0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.058 7.366 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.766 5.716 -3.480 1.00 0.00 H new ATOM 440 N THR A 22 -7.447 3.961 -0.402 1.00 0.00 N ATOM 441 CA THR A 22 -7.189 2.545 -0.177 1.00 0.00 C ATOM 442 C THR A 22 -8.349 1.689 -0.672 1.00 0.00 C ATOM 443 O THR A 22 -8.654 0.645 -0.093 1.00 0.00 O ATOM 444 CB THR A 22 -6.947 2.248 1.315 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.981 2.844 2.107 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.592 2.778 1.760 1.00 0.00 C ATOM 0 H THR A 22 -8.162 4.361 0.205 1.00 0.00 H new ATOM 0 HA THR A 22 -6.290 2.295 -0.740 1.00 0.00 H new ATOM 0 HB THR A 22 -6.960 1.167 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.821 2.649 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.444 2.556 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.805 2.301 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.555 3.857 1.607 1.00 0.00 H new ATOM 454 N ARG A 23 -8.992 2.136 -1.745 1.00 0.00 N ATOM 455 CA ARG A 23 -10.120 1.410 -2.317 1.00 0.00 C ATOM 456 C ARG A 23 -9.765 0.849 -3.691 1.00 0.00 C ATOM 457 O ARG A 23 -8.738 1.202 -4.270 1.00 0.00 O ATOM 458 CB ARG A 23 -11.340 2.327 -2.429 1.00 0.00 C ATOM 459 CG ARG A 23 -11.937 2.712 -1.085 1.00 0.00 C ATOM 460 CD ARG A 23 -12.749 1.572 -0.489 1.00 0.00 C ATOM 461 NE ARG A 23 -14.148 1.619 -0.905 1.00 0.00 N ATOM 462 CZ ARG A 23 -15.085 0.811 -0.425 1.00 0.00 C ATOM 463 NH1 ARG A 23 -14.775 -0.103 0.485 1.00 0.00 N ATOM 464 NH2 ARG A 23 -16.337 0.915 -0.853 1.00 0.00 N ATOM 0 H ARG A 23 -8.752 2.997 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.358 0.578 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.055 3.233 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.104 1.830 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.138 2.990 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.573 3.589 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.313 0.620 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.693 1.617 0.599 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.420 2.311 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.814 -0.186 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.497 -0.723 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.580 1.617 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.056 0.293 -0.483 1.00 0.00 H new ATOM 478 N GLY A 24 -10.622 -0.027 -4.206 1.00 0.00 N ATOM 479 CA GLY A 24 -10.380 -0.623 -5.507 1.00 0.00 C ATOM 480 C GLY A 24 -9.802 -2.021 -5.406 1.00 0.00 C ATOM 481 O GLY A 24 -9.364 -2.444 -4.336 1.00 0.00 O ATOM 0 H GLY A 24 -11.479 -0.334 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.315 -0.659 -6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.695 0.010 -6.072 1.00 0.00 H new ATOM 485 N LEU A 25 -9.801 -2.741 -6.523 1.00 0.00 N ATOM 486 CA LEU A 25 -9.273 -4.101 -6.556 1.00 0.00 C ATOM 487 C LEU A 25 -7.796 -4.121 -6.177 1.00 0.00 C ATOM 488 O LEU A 25 -7.137 -3.081 -6.145 1.00 0.00 O ATOM 489 CB LEU A 25 -9.463 -4.709 -7.946 1.00 0.00 C ATOM 490 CG LEU A 25 -10.859 -5.252 -8.256 1.00 0.00 C ATOM 491 CD1 LEU A 25 -10.975 -5.616 -9.728 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.169 -6.457 -7.381 1.00 0.00 C ATOM 0 H LEU A 25 -10.160 -2.406 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.824 -4.696 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.217 -3.951 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.744 -5.520 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.588 -4.472 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.975 -6.000 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.797 -4.730 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.236 -6.379 -9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.166 -6.830 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.435 -7.241 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.128 -6.165 -6.332 1.00 0.00 H new ATOM 504 N LYS A 26 -7.279 -5.312 -5.893 1.00 0.00 N ATOM 505 CA LYS A 26 -5.879 -5.469 -5.520 1.00 0.00 C ATOM 506 C LYS A 26 -4.961 -4.891 -6.593 1.00 0.00 C ATOM 507 O LYS A 26 -4.024 -4.153 -6.290 1.00 0.00 O ATOM 508 CB LYS A 26 -5.552 -6.948 -5.297 1.00 0.00 C ATOM 509 CG LYS A 26 -4.074 -7.218 -5.077 1.00 0.00 C ATOM 510 CD LYS A 26 -3.355 -7.492 -6.387 1.00 0.00 C ATOM 511 CE LYS A 26 -1.854 -7.292 -6.252 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.165 -7.352 -7.571 1.00 0.00 N ATOM 0 H LYS A 26 -7.810 -6.183 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.713 -4.922 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.111 -7.309 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.893 -7.521 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.617 -6.361 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.955 -8.072 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.559 -8.513 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.743 -6.830 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.657 -6.328 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.444 -8.057 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.136 -7.313 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.414 -8.239 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.463 -6.545 -8.156 1.00 0.00 H new ATOM 526 N ALA A 27 -5.239 -5.231 -7.847 1.00 0.00 N ATOM 527 CA ALA A 27 -4.440 -4.742 -8.965 1.00 0.00 C ATOM 528 C ALA A 27 -4.550 -3.227 -9.097 1.00 0.00 C ATOM 529 O ALA A 27 -3.561 -2.546 -9.364 1.00 0.00 O ATOM 530 CB ALA A 27 -4.872 -5.419 -10.257 1.00 0.00 C ATOM 0 H ALA A 27 -6.010 -5.842 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.396 -4.988 -8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.268 -5.045 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.736 -6.497 -10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.923 -5.201 -10.448 1.00 0.00 H new ATOM 536 N GLU A 28 -5.759 -2.707 -8.909 1.00 0.00 N ATOM 537 CA GLU A 28 -5.996 -1.272 -9.009 1.00 0.00 C ATOM 538 C GLU A 28 -5.179 -0.511 -7.968 1.00 0.00 C ATOM 539 O GLU A 28 -4.594 0.532 -8.263 1.00 0.00 O ATOM 540 CB GLU A 28 -7.484 -0.964 -8.829 1.00 0.00 C ATOM 541 CG GLU A 28 -8.320 -1.260 -10.063 1.00 0.00 C ATOM 542 CD GLU A 28 -8.064 -0.278 -11.189 1.00 0.00 C ATOM 543 OE1 GLU A 28 -7.772 0.900 -10.894 1.00 0.00 O ATOM 544 OE2 GLU A 28 -8.156 -0.687 -12.366 1.00 0.00 O ATOM 0 H GLU A 28 -6.588 -3.258 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.682 -0.947 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.868 -1.546 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.600 0.087 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.103 -2.270 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.377 -1.234 -9.796 1.00 0.00 H new ATOM 551 N LEU A 29 -5.144 -1.040 -6.750 1.00 0.00 N ATOM 552 CA LEU A 29 -4.400 -0.412 -5.664 1.00 0.00 C ATOM 553 C LEU A 29 -2.907 -0.380 -5.975 1.00 0.00 C ATOM 554 O LEU A 29 -2.222 0.599 -5.680 1.00 0.00 O ATOM 555 CB LEU A 29 -4.643 -1.161 -4.353 1.00 0.00 C ATOM 556 CG LEU A 29 -6.012 -0.952 -3.705 1.00 0.00 C ATOM 557 CD1 LEU A 29 -6.175 -1.860 -2.496 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.198 0.505 -3.308 1.00 0.00 C ATOM 0 H LEU A 29 -5.622 -1.902 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.753 0.614 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.509 -2.227 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.876 -0.862 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.780 -1.210 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.155 -1.697 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.087 -2.901 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.400 -1.634 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.178 0.635 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.423 0.790 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.127 1.136 -4.194 1.00 0.00 H new ATOM 570 N ALA A 30 -2.409 -1.456 -6.575 1.00 0.00 N ATOM 571 CA ALA A 30 -0.998 -1.549 -6.930 1.00 0.00 C ATOM 572 C ALA A 30 -0.598 -0.432 -7.888 1.00 0.00 C ATOM 573 O ALA A 30 0.462 0.174 -7.739 1.00 0.00 O ATOM 574 CB ALA A 30 -0.698 -2.908 -7.546 1.00 0.00 C ATOM 0 H ALA A 30 -2.962 -2.276 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.411 -1.437 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.359 -2.964 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.937 -3.693 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.301 -3.041 -8.444 1.00 0.00 H new ATOM 580 N GLU A 31 -1.454 -0.166 -8.870 1.00 0.00 N ATOM 581 CA GLU A 31 -1.187 0.878 -9.852 1.00 0.00 C ATOM 582 C GLU A 31 -1.158 2.253 -9.191 1.00 0.00 C ATOM 583 O GLU A 31 -0.344 3.106 -9.544 1.00 0.00 O ATOM 584 CB GLU A 31 -2.247 0.854 -10.956 1.00 0.00 C ATOM 585 CG GLU A 31 -2.289 -0.453 -11.730 1.00 0.00 C ATOM 586 CD GLU A 31 -3.163 -0.370 -12.967 1.00 0.00 C ATOM 587 OE1 GLU A 31 -4.174 0.362 -12.929 1.00 0.00 O ATOM 588 OE2 GLU A 31 -2.836 -1.037 -13.970 1.00 0.00 O ATOM 0 H GLU A 31 -2.337 -0.658 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.209 0.685 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.226 1.036 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.055 1.672 -11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.276 -0.730 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.661 -1.245 -11.079 1.00 0.00 H new ATOM 595 N ARG A 32 -2.052 2.460 -8.230 1.00 0.00 N ATOM 596 CA ARG A 32 -2.131 3.731 -7.520 1.00 0.00 C ATOM 597 C ARG A 32 -0.846 3.999 -6.741 1.00 0.00 C ATOM 598 O ARG A 32 -0.270 5.084 -6.826 1.00 0.00 O ATOM 599 CB ARG A 32 -3.327 3.735 -6.567 1.00 0.00 C ATOM 600 CG ARG A 32 -3.387 4.959 -5.668 1.00 0.00 C ATOM 601 CD ARG A 32 -4.677 4.997 -4.864 1.00 0.00 C ATOM 602 NE ARG A 32 -5.098 6.364 -4.570 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.437 7.245 -5.505 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.404 6.904 -6.785 1.00 0.00 N ATOM 605 NH2 ARG A 32 -5.810 8.471 -5.158 1.00 0.00 N ATOM 0 H ARG A 32 -2.732 1.764 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.261 4.523 -8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.246 3.678 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.288 2.840 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.534 4.955 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.308 5.861 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.465 4.486 -5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.539 4.452 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.134 6.658 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.118 5.963 -7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.665 7.583 -7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.836 8.737 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.070 9.147 -5.876 1.00 0.00 H new ATOM 619 N LEU A 33 -0.403 3.003 -5.981 1.00 0.00 N ATOM 620 CA LEU A 33 0.813 3.131 -5.185 1.00 0.00 C ATOM 621 C LEU A 33 2.028 3.353 -6.080 1.00 0.00 C ATOM 622 O LEU A 33 2.856 4.224 -5.814 1.00 0.00 O ATOM 623 CB LEU A 33 1.019 1.881 -4.328 1.00 0.00 C ATOM 624 CG LEU A 33 2.372 1.763 -3.626 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.587 2.934 -2.680 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.471 0.443 -2.876 1.00 0.00 C ATOM 0 H LEU A 33 -0.867 2.099 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 33 0.701 3.997 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.236 1.851 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.883 1.004 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 33 3.156 1.787 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.555 2.833 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.562 3.867 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.798 2.943 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.441 0.377 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.679 0.389 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.364 -0.384 -3.579 1.00 0.00 H new ATOM 638 N GLN A 34 2.127 2.561 -7.143 1.00 0.00 N ATOM 639 CA GLN A 34 3.240 2.673 -8.078 1.00 0.00 C ATOM 640 C GLN A 34 3.226 4.026 -8.782 1.00 0.00 C ATOM 641 O GLN A 34 4.269 4.650 -8.968 1.00 0.00 O ATOM 642 CB GLN A 34 3.181 1.546 -9.111 1.00 0.00 C ATOM 643 CG GLN A 34 4.424 1.454 -9.982 1.00 0.00 C ATOM 644 CD GLN A 34 5.672 1.130 -9.185 1.00 0.00 C ATOM 645 OE1 GLN A 34 6.208 1.982 -8.475 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.143 -0.106 -9.297 1.00 0.00 N ATOM 0 H GLN A 34 1.450 1.835 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 34 4.167 2.589 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.039 0.597 -8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.310 1.695 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.274 0.688 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.567 2.399 -10.506 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.668 -0.781 -9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.980 -0.381 -8.783 1.00 0.00 H new ATOM 655 N ALA A 35 2.036 4.472 -9.172 1.00 0.00 N ATOM 656 CA ALA A 35 1.886 5.751 -9.854 1.00 0.00 C ATOM 657 C ALA A 35 2.475 6.888 -9.025 1.00 0.00 C ATOM 658 O ALA A 35 3.153 7.768 -9.554 1.00 0.00 O ATOM 659 CB ALA A 35 0.419 6.020 -10.154 1.00 0.00 C ATOM 0 H ALA A 35 1.162 3.966 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 35 2.435 5.700 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.322 6.979 -10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.027 5.228 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.144 6.046 -9.221 1.00 0.00 H new ATOM 665 N ALA A 36 2.211 6.863 -7.722 1.00 0.00 N ATOM 666 CA ALA A 36 2.716 7.890 -6.821 1.00 0.00 C ATOM 667 C ALA A 36 4.227 7.779 -6.654 1.00 0.00 C ATOM 668 O ALA A 36 4.936 8.787 -6.635 1.00 0.00 O ATOM 669 CB ALA A 36 2.025 7.792 -5.468 1.00 0.00 C ATOM 0 H ALA A 36 1.650 6.142 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 36 2.496 8.863 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.412 8.565 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.951 7.929 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.216 6.811 -5.032 1.00 0.00 H new ATOM 675 N LEU A 37 4.716 6.550 -6.533 1.00 0.00 N ATOM 676 CA LEU A 37 6.145 6.308 -6.367 1.00 0.00 C ATOM 677 C LEU A 37 6.928 6.820 -7.571 1.00 0.00 C ATOM 678 O LEU A 37 8.034 7.341 -7.429 1.00 0.00 O ATOM 679 CB LEU A 37 6.409 4.814 -6.171 1.00 0.00 C ATOM 680 CG LEU A 37 6.068 4.247 -4.792 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.954 2.732 -4.852 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.113 4.665 -3.769 1.00 0.00 C ATOM 0 H LEU A 37 4.144 5.705 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 37 6.480 6.850 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.839 4.264 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.464 4.623 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 37 5.105 4.652 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.711 2.346 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.167 2.454 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.902 2.309 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.853 4.252 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.090 4.290 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.145 5.753 -3.705 1.00 0.00 H new