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= -0.512 K(o=-0.51,f=-2.5) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0.0302 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -4.71! C(o=-4.7!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 5.863 -4.099 -6.245 1.00 0.00 N ATOM 96 CA VAL A 3 4.495 -3.691 -5.949 1.00 0.00 C ATOM 97 C VAL A 3 3.497 -4.759 -6.381 1.00 0.00 C ATOM 98 O VAL A 3 2.439 -4.916 -5.773 1.00 0.00 O ATOM 99 CB VAL A 3 4.142 -2.363 -6.645 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.098 -2.546 -8.154 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.817 -1.825 -6.126 1.00 0.00 C ATOM 0 HA VAL A 3 4.432 -3.555 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 3 4.919 -1.634 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.847 -1.597 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.072 -2.882 -8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.343 -3.290 -8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.583 -0.886 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.027 -2.549 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.890 -1.653 -5.052 1.00 0.00 H new ATOM 111 N ARG A 4 3.843 -5.492 -7.435 1.00 0.00 N ATOM 112 CA ARG A 4 2.977 -6.546 -7.950 1.00 0.00 C ATOM 113 C ARG A 4 2.925 -7.726 -6.985 1.00 0.00 C ATOM 114 O ARG A 4 1.861 -8.294 -6.738 1.00 0.00 O ATOM 115 CB ARG A 4 3.468 -7.015 -9.320 1.00 0.00 C ATOM 116 CG ARG A 4 3.241 -5.999 -10.429 1.00 0.00 C ATOM 117 CD ARG A 4 1.768 -5.885 -10.787 1.00 0.00 C ATOM 118 NE ARG A 4 1.289 -7.058 -11.514 1.00 0.00 N ATOM 119 CZ ARG A 4 0.095 -7.128 -12.092 1.00 0.00 C ATOM 120 NH1 ARG A 4 -0.737 -6.097 -12.028 1.00 0.00 N ATOM 121 NH2 ARG A 4 -0.269 -8.230 -12.735 1.00 0.00 N ATOM 0 H ARG A 4 4.717 -5.375 -7.949 1.00 0.00 H new ATOM 0 HA ARG A 4 1.971 -6.138 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.533 -7.240 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.960 -7.944 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.616 -5.025 -10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.810 -6.290 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.182 -5.759 -9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.610 -4.993 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 4 1.905 -7.868 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.460 -5.248 -11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.653 -6.153 -12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.368 -9.025 -12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.186 -8.282 -13.178 1.00 0.00 H new ATOM 135 N ARG A 5 4.082 -8.092 -6.442 1.00 0.00 N ATOM 136 CA ARG A 5 4.169 -9.206 -5.506 1.00 0.00 C ATOM 137 C ARG A 5 3.642 -8.804 -4.132 1.00 0.00 C ATOM 138 O ARG A 5 3.437 -9.651 -3.261 1.00 0.00 O ATOM 139 CB ARG A 5 5.616 -9.688 -5.388 1.00 0.00 C ATOM 140 CG ARG A 5 6.140 -10.358 -6.648 1.00 0.00 C ATOM 141 CD ARG A 5 5.367 -11.628 -6.966 1.00 0.00 C ATOM 142 NE ARG A 5 5.969 -12.374 -8.068 1.00 0.00 N ATOM 143 CZ ARG A 5 5.629 -13.618 -8.386 1.00 0.00 C ATOM 144 NH1 ARG A 5 4.696 -14.252 -7.690 1.00 0.00 N ATOM 145 NH2 ARG A 5 6.222 -14.230 -9.403 1.00 0.00 N ATOM 0 H ARG A 5 4.972 -7.633 -6.635 1.00 0.00 H new ATOM 0 HA ARG A 5 3.552 -10.019 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.254 -8.838 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.690 -10.389 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.066 -9.666 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.196 -10.595 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.328 -12.260 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.338 -11.372 -7.221 1.00 0.00 H new ATOM 0 HE ARG A 5 6.690 -11.914 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.237 -13.785 -6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.437 -15.207 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.940 -13.745 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.960 -15.185 -9.646 1.00 0.00 H new ATOM 159 N LEU A 6 3.425 -7.507 -3.944 1.00 0.00 N ATOM 160 CA LEU A 6 2.922 -6.991 -2.675 1.00 0.00 C ATOM 161 C LEU A 6 1.440 -7.312 -2.506 1.00 0.00 C ATOM 162 O LEU A 6 0.613 -6.934 -3.335 1.00 0.00 O ATOM 163 CB LEU A 6 3.140 -5.479 -2.594 1.00 0.00 C ATOM 164 CG LEU A 6 4.574 -5.022 -2.326 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.653 -3.503 -2.298 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.085 -5.608 -1.017 1.00 0.00 C ATOM 0 H LEU A 6 3.589 -6.793 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 6 3.474 -7.475 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.807 -5.033 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.500 -5.081 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 6 5.208 -5.384 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.681 -3.196 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.328 -3.104 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.006 -3.120 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.107 -5.272 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.449 -5.276 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.065 -6.696 -1.073 1.00 0.00 H new ATOM 178 N LYS A 7 1.111 -8.011 -1.425 1.00 0.00 N ATOM 179 CA LYS A 7 -0.271 -8.381 -1.143 1.00 0.00 C ATOM 180 C LYS A 7 -1.154 -7.142 -1.031 1.00 0.00 C ATOM 181 O LYS A 7 -0.662 -6.014 -1.054 1.00 0.00 O ATOM 182 CB LYS A 7 -0.349 -9.195 0.150 1.00 0.00 C ATOM 183 CG LYS A 7 -0.070 -10.675 -0.044 1.00 0.00 C ATOM 184 CD LYS A 7 -0.379 -11.471 1.213 1.00 0.00 C ATOM 185 CE LYS A 7 0.318 -12.823 1.202 1.00 0.00 C ATOM 186 NZ LYS A 7 0.045 -13.598 2.444 1.00 0.00 N ATOM 0 H LYS A 7 1.784 -8.333 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.634 -8.990 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.365 -8.790 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.341 -9.075 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.670 -11.054 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.976 -10.816 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.064 -10.905 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.456 -11.616 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.014 -13.396 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.393 -12.677 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.538 -14.513 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.385 -13.063 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.978 -13.760 2.534 1.00 0.00 H new ATOM 200 N VAL A 8 -2.459 -7.361 -0.909 1.00 0.00 N ATOM 201 CA VAL A 8 -3.410 -6.262 -0.790 1.00 0.00 C ATOM 202 C VAL A 8 -3.171 -5.463 0.486 1.00 0.00 C ATOM 203 O VAL A 8 -3.233 -4.235 0.483 1.00 0.00 O ATOM 204 CB VAL A 8 -4.863 -6.773 -0.799 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.030 -7.890 -1.818 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.270 -7.243 0.590 1.00 0.00 C ATOM 0 H VAL A 8 -2.882 -8.289 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.255 -5.615 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.518 -5.950 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.063 -8.238 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.781 -7.517 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.366 -8.717 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.299 -7.601 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.612 -8.052 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.191 -6.413 1.293 1.00 0.00 H new ATOM 216 N ASN A 9 -2.898 -6.171 1.578 1.00 0.00 N ATOM 217 CA ASN A 9 -2.650 -5.528 2.863 1.00 0.00 C ATOM 218 C ASN A 9 -1.419 -4.629 2.793 1.00 0.00 C ATOM 219 O ASN A 9 -1.402 -3.539 3.363 1.00 0.00 O ATOM 220 CB ASN A 9 -2.463 -6.582 3.956 1.00 0.00 C ATOM 221 CG ASN A 9 -3.521 -7.667 3.899 1.00 0.00 C ATOM 222 OD1 ASN A 9 -4.648 -7.429 3.466 1.00 0.00 O ATOM 223 ND2 ASN A 9 -3.161 -8.868 4.338 1.00 0.00 N ATOM 0 H ASN A 9 -2.843 -7.189 1.598 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.515 -4.911 3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.476 -7.035 3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.494 -6.099 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.830 -9.638 4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.215 -9.020 4.689 1.00 0.00 H new ATOM 230 N GLU A 10 -0.392 -5.095 2.089 1.00 0.00 N ATOM 231 CA GLU A 10 0.843 -4.333 1.945 1.00 0.00 C ATOM 232 C GLU A 10 0.600 -3.046 1.160 1.00 0.00 C ATOM 233 O GLU A 10 1.097 -1.980 1.524 1.00 0.00 O ATOM 234 CB GLU A 10 1.910 -5.176 1.244 1.00 0.00 C ATOM 235 CG GLU A 10 2.317 -6.414 2.025 1.00 0.00 C ATOM 236 CD GLU A 10 3.715 -6.888 1.681 1.00 0.00 C ATOM 237 OE1 GLU A 10 4.687 -6.245 2.131 1.00 0.00 O ATOM 238 OE2 GLU A 10 3.839 -7.901 0.962 1.00 0.00 O ATOM 0 H GLU A 10 -0.391 -5.996 1.610 1.00 0.00 H new ATOM 0 HA GLU A 10 1.195 -4.070 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.536 -5.480 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.792 -4.560 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.263 -6.200 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.606 -7.216 1.824 1.00 0.00 H new ATOM 245 N LEU A 11 -0.169 -3.155 0.082 1.00 0.00 N ATOM 246 CA LEU A 11 -0.478 -2.001 -0.756 1.00 0.00 C ATOM 247 C LEU A 11 -1.324 -0.986 0.006 1.00 0.00 C ATOM 248 O LEU A 11 -1.127 0.222 -0.123 1.00 0.00 O ATOM 249 CB LEU A 11 -1.214 -2.448 -2.021 1.00 0.00 C ATOM 250 CG LEU A 11 -0.479 -3.457 -2.904 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.440 -4.102 -3.891 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.672 -2.785 -3.638 1.00 0.00 C ATOM 0 H LEU A 11 -0.590 -4.029 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 11 0.461 -1.525 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.170 -2.881 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.435 -1.565 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.068 -4.239 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.899 -4.817 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.229 -4.619 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.881 -3.333 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.184 -3.518 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.284 -1.983 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.374 -2.372 -2.913 1.00 0.00 H new ATOM 264 N ARG A 12 -2.264 -1.485 0.802 1.00 0.00 N ATOM 265 CA ARG A 12 -3.139 -0.622 1.586 1.00 0.00 C ATOM 266 C ARG A 12 -2.333 0.216 2.574 1.00 0.00 C ATOM 267 O ARG A 12 -2.607 1.399 2.768 1.00 0.00 O ATOM 268 CB ARG A 12 -4.176 -1.459 2.338 1.00 0.00 C ATOM 269 CG ARG A 12 -5.334 -1.920 1.467 1.00 0.00 C ATOM 270 CD ARG A 12 -6.137 -3.019 2.144 1.00 0.00 C ATOM 271 NE ARG A 12 -7.082 -3.650 1.228 1.00 0.00 N ATOM 272 CZ ARG A 12 -7.976 -4.558 1.603 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.045 -4.940 2.871 1.00 0.00 N ATOM 274 NH2 ARG A 12 -8.803 -5.086 0.710 1.00 0.00 N ATOM 0 H ARG A 12 -2.439 -2.483 0.921 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.653 0.051 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.684 -2.332 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.568 -0.874 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.985 -1.074 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.951 -2.283 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.457 -3.773 2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.679 -2.602 2.993 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.054 -3.379 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.411 -4.536 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.732 -5.637 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.753 -4.795 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.489 -5.783 1.000 1.00 0.00 H new ATOM 288 N GLU A 13 -1.337 -0.408 3.197 1.00 0.00 N ATOM 289 CA GLU A 13 -0.492 0.280 4.166 1.00 0.00 C ATOM 290 C GLU A 13 0.317 1.386 3.494 1.00 0.00 C ATOM 291 O GLU A 13 0.402 2.503 4.002 1.00 0.00 O ATOM 292 CB GLU A 13 0.449 -0.712 4.851 1.00 0.00 C ATOM 293 CG GLU A 13 -0.258 -1.673 5.791 1.00 0.00 C ATOM 294 CD GLU A 13 0.667 -2.742 6.338 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.623 -3.119 5.629 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.436 -3.201 7.476 1.00 0.00 O ATOM 0 H GLU A 13 -1.096 -1.388 3.048 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.139 0.733 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.976 -1.285 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.202 -0.158 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.689 -1.112 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.085 -2.149 5.264 1.00 0.00 H new ATOM 303 N GLU A 14 0.910 1.064 2.348 1.00 0.00 N ATOM 304 CA GLU A 14 1.714 2.029 1.607 1.00 0.00 C ATOM 305 C GLU A 14 0.849 3.175 1.090 1.00 0.00 C ATOM 306 O GLU A 14 1.225 4.344 1.184 1.00 0.00 O ATOM 307 CB GLU A 14 2.424 1.344 0.438 1.00 0.00 C ATOM 308 CG GLU A 14 3.509 0.371 0.870 1.00 0.00 C ATOM 309 CD GLU A 14 4.708 1.069 1.481 1.00 0.00 C ATOM 310 OE1 GLU A 14 5.098 2.139 0.968 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.258 0.545 2.472 1.00 0.00 O ATOM 0 H GLU A 14 0.849 0.143 1.913 1.00 0.00 H new ATOM 0 HA GLU A 14 2.461 2.439 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.687 0.810 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.866 2.106 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.095 -0.332 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.833 -0.212 0.008 1.00 0.00 H new ATOM 318 N LEU A 15 -0.313 2.831 0.544 1.00 0.00 N ATOM 319 CA LEU A 15 -1.233 3.830 0.011 1.00 0.00 C ATOM 320 C LEU A 15 -1.777 4.718 1.125 1.00 0.00 C ATOM 321 O LEU A 15 -1.863 5.937 0.974 1.00 0.00 O ATOM 322 CB LEU A 15 -2.388 3.147 -0.723 1.00 0.00 C ATOM 323 CG LEU A 15 -2.056 2.555 -2.094 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.183 1.654 -2.573 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.790 3.663 -3.103 1.00 0.00 C ATOM 0 H LEU A 15 -0.640 1.869 0.459 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.684 4.456 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.774 2.349 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.192 3.872 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.152 1.953 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.929 1.242 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.326 0.840 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.103 2.233 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.555 3.224 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.675 4.292 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.948 4.268 -2.766 1.00 0.00 H new ATOM 337 N GLN A 16 -2.142 4.099 2.244 1.00 0.00 N ATOM 338 CA GLN A 16 -2.676 4.835 3.383 1.00 0.00 C ATOM 339 C GLN A 16 -1.637 5.799 3.945 1.00 0.00 C ATOM 340 O GLN A 16 -1.953 6.940 4.284 1.00 0.00 O ATOM 341 CB GLN A 16 -3.132 3.865 4.475 1.00 0.00 C ATOM 342 CG GLN A 16 -3.462 4.545 5.794 1.00 0.00 C ATOM 343 CD GLN A 16 -4.398 3.721 6.657 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.040 2.639 7.123 1.00 0.00 O ATOM 345 NE2 GLN A 16 -5.605 4.230 6.874 1.00 0.00 N ATOM 0 H GLN A 16 -2.077 3.091 2.385 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.533 5.414 3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.011 3.324 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.349 3.126 4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.539 4.733 6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.917 5.515 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.859 5.130 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.278 3.721 7.447 1.00 0.00 H new ATOM 354 N ARG A 17 -0.396 5.334 4.041 1.00 0.00 N ATOM 355 CA ARG A 17 0.690 6.155 4.563 1.00 0.00 C ATOM 356 C ARG A 17 0.974 7.334 3.637 1.00 0.00 C ATOM 357 O ARG A 17 1.459 8.377 4.074 1.00 0.00 O ATOM 358 CB ARG A 17 1.956 5.313 4.738 1.00 0.00 C ATOM 359 CG ARG A 17 1.969 4.492 6.017 1.00 0.00 C ATOM 360 CD ARG A 17 3.379 4.057 6.385 1.00 0.00 C ATOM 361 NE ARG A 17 4.217 5.187 6.774 1.00 0.00 N ATOM 362 CZ ARG A 17 5.459 5.059 7.229 1.00 0.00 C ATOM 363 NH1 ARG A 17 6.003 3.857 7.350 1.00 0.00 N ATOM 364 NH2 ARG A 17 6.158 6.136 7.562 1.00 0.00 N ATOM 0 H ARG A 17 -0.117 4.393 3.764 1.00 0.00 H new ATOM 0 HA ARG A 17 0.383 6.544 5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.057 4.642 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.824 5.972 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.544 5.078 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.336 3.613 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.335 3.340 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.833 3.544 5.537 1.00 0.00 H new ATOM 0 HE ARG A 17 3.828 6.126 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.468 3.027 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.956 3.762 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.742 7.063 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.111 6.037 7.911 1.00 0.00 H new ATOM 378 N ARG A 18 0.670 7.159 2.355 1.00 0.00 N ATOM 379 CA ARG A 18 0.894 8.207 1.366 1.00 0.00 C ATOM 380 C ARG A 18 -0.348 9.079 1.207 1.00 0.00 C ATOM 381 O ARG A 18 -0.417 9.922 0.314 1.00 0.00 O ATOM 382 CB ARG A 18 1.275 7.593 0.018 1.00 0.00 C ATOM 383 CG ARG A 18 2.699 7.062 -0.029 1.00 0.00 C ATOM 384 CD ARG A 18 3.120 6.722 -1.450 1.00 0.00 C ATOM 385 NE ARG A 18 4.567 6.812 -1.628 1.00 0.00 N ATOM 386 CZ ARG A 18 5.246 7.953 -1.565 1.00 0.00 C ATOM 387 NH1 ARG A 18 4.612 9.093 -1.329 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.561 7.953 -1.738 1.00 0.00 N ATOM 0 H ARG A 18 0.268 6.301 1.977 1.00 0.00 H new ATOM 0 HA ARG A 18 1.714 8.833 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.585 6.780 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.150 8.344 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.380 7.806 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.778 6.174 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.786 5.714 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.626 7.400 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 18 5.085 5.952 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.601 9.096 -1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.135 9.967 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.052 7.077 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.082 8.829 -1.690 1.00 0.00 H new ATOM 402 N GLY A 19 -1.329 8.869 2.081 1.00 0.00 N ATOM 403 CA GLY A 19 -2.555 9.643 2.020 1.00 0.00 C ATOM 404 C GLY A 19 -3.374 9.334 0.782 1.00 0.00 C ATOM 405 O GLY A 19 -4.252 10.109 0.400 1.00 0.00 O ATOM 0 H GLY A 19 -1.296 8.177 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.154 9.440 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.312 10.705 2.035 1.00 0.00 H new ATOM 409 N LEU A 20 -3.086 8.201 0.151 1.00 0.00 N ATOM 410 CA LEU A 20 -3.801 7.792 -1.053 1.00 0.00 C ATOM 411 C LEU A 20 -4.919 6.810 -0.715 1.00 0.00 C ATOM 412 O LEU A 20 -4.777 5.976 0.180 1.00 0.00 O ATOM 413 CB LEU A 20 -2.834 7.157 -2.054 1.00 0.00 C ATOM 414 CG LEU A 20 -1.614 7.997 -2.433 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.662 7.192 -3.303 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.045 9.270 -3.148 1.00 0.00 C ATOM 0 H LEU A 20 -2.362 7.549 0.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.246 8.681 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.485 6.211 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.386 6.923 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.090 8.276 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.200 7.806 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.328 6.310 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.175 6.883 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.164 9.856 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.592 9.011 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.688 9.856 -2.492 1.00 0.00 H new ATOM 428 N ASP A 21 -6.028 6.914 -1.438 1.00 0.00 N ATOM 429 CA ASP A 21 -7.169 6.033 -1.217 1.00 0.00 C ATOM 430 C ASP A 21 -6.716 4.584 -1.064 1.00 0.00 C ATOM 431 O ASP A 21 -5.796 4.134 -1.748 1.00 0.00 O ATOM 432 CB ASP A 21 -8.162 6.149 -2.375 1.00 0.00 C ATOM 433 CG ASP A 21 -9.568 5.746 -1.975 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.707 4.933 -1.038 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.528 6.243 -2.600 1.00 0.00 O ATOM 0 H ASP A 21 -6.162 7.599 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.660 6.341 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.172 7.176 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.828 5.520 -3.200 1.00 0.00 H new ATOM 440 N THR A 22 -7.366 3.858 -0.159 1.00 0.00 N ATOM 441 CA THR A 22 -7.029 2.462 0.086 1.00 0.00 C ATOM 442 C THR A 22 -8.130 1.534 -0.413 1.00 0.00 C ATOM 443 O THR A 22 -8.263 0.404 0.057 1.00 0.00 O ATOM 444 CB THR A 22 -6.790 2.197 1.585 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.895 2.689 2.351 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.505 2.862 2.054 1.00 0.00 C ATOM 0 H THR A 22 -8.129 4.215 0.416 1.00 0.00 H new ATOM 0 HA THR A 22 -6.110 2.258 -0.463 1.00 0.00 H new ATOM 0 HB THR A 22 -6.697 1.121 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.737 2.515 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.358 2.661 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.662 2.464 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.573 3.938 1.895 1.00 0.00 H new ATOM 454 N ARG A 23 -8.917 2.018 -1.368 1.00 0.00 N ATOM 455 CA ARG A 23 -10.008 1.231 -1.931 1.00 0.00 C ATOM 456 C ARG A 23 -9.664 0.754 -3.339 1.00 0.00 C ATOM 457 O ARG A 23 -8.804 1.326 -4.007 1.00 0.00 O ATOM 458 CB ARG A 23 -11.297 2.055 -1.962 1.00 0.00 C ATOM 459 CG ARG A 23 -11.848 2.375 -0.582 1.00 0.00 C ATOM 460 CD ARG A 23 -12.568 1.179 0.021 1.00 0.00 C ATOM 461 NE ARG A 23 -13.974 1.133 -0.371 1.00 0.00 N ATOM 462 CZ ARG A 23 -14.890 1.984 0.077 1.00 0.00 C ATOM 463 NH1 ARG A 23 -14.550 2.944 0.926 1.00 0.00 N ATOM 464 NH2 ARG A 23 -16.150 1.878 -0.326 1.00 0.00 N ATOM 0 H ARG A 23 -8.820 2.951 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.158 0.358 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.110 2.987 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.053 1.511 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.033 2.680 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.535 3.218 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.073 0.261 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.496 1.222 1.108 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.269 0.408 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.582 3.031 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.256 3.596 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.416 1.142 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.852 2.532 0.019 1.00 0.00 H new ATOM 478 N GLY A 24 -10.341 -0.301 -3.783 1.00 0.00 N ATOM 479 CA GLY A 24 -10.093 -0.838 -5.108 1.00 0.00 C ATOM 480 C GLY A 24 -9.380 -2.175 -5.067 1.00 0.00 C ATOM 481 O GLY A 24 -8.632 -2.460 -4.131 1.00 0.00 O ATOM 0 H GLY A 24 -11.057 -0.793 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.041 -0.951 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.494 -0.128 -5.678 1.00 0.00 H new ATOM 485 N LEU A 25 -9.613 -2.999 -6.083 1.00 0.00 N ATOM 486 CA LEU A 25 -8.989 -4.316 -6.159 1.00 0.00 C ATOM 487 C LEU A 25 -7.481 -4.216 -5.955 1.00 0.00 C ATOM 488 O LEU A 25 -6.930 -3.121 -5.836 1.00 0.00 O ATOM 489 CB LEU A 25 -9.291 -4.968 -7.509 1.00 0.00 C ATOM 490 CG LEU A 25 -10.662 -5.631 -7.643 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.129 -5.604 -9.090 1.00 0.00 C ATOM 492 CD2 LEU A 25 -10.615 -7.060 -7.122 1.00 0.00 C ATOM 0 H LEU A 25 -10.229 -2.779 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.404 -4.934 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.200 -4.208 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.526 -5.719 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.377 -5.069 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.106 -6.080 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.201 -4.571 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.414 -6.142 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.599 -7.517 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.887 -7.633 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.325 -7.055 -6.071 1.00 0.00 H new ATOM 504 N LYS A 26 -6.817 -5.366 -5.917 1.00 0.00 N ATOM 505 CA LYS A 26 -5.371 -5.410 -5.731 1.00 0.00 C ATOM 506 C LYS A 26 -4.656 -4.657 -6.848 1.00 0.00 C ATOM 507 O LYS A 26 -3.785 -3.826 -6.591 1.00 0.00 O ATOM 508 CB LYS A 26 -4.886 -6.860 -5.688 1.00 0.00 C ATOM 509 CG LYS A 26 -3.398 -6.996 -5.415 1.00 0.00 C ATOM 510 CD LYS A 26 -2.843 -8.294 -5.978 1.00 0.00 C ATOM 511 CE LYS A 26 -1.330 -8.357 -5.846 1.00 0.00 C ATOM 512 NZ LYS A 26 -0.827 -9.758 -5.890 1.00 0.00 N ATOM 0 H LYS A 26 -7.257 -6.281 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.137 -4.926 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.439 -7.396 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.118 -7.340 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.868 -6.152 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.220 -6.959 -4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.290 -9.139 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.122 -8.385 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.871 -7.781 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.028 -7.892 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.179 -9.757 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.940 -10.197 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.368 -10.299 -6.594 1.00 0.00 H new ATOM 526 N ALA A 27 -5.031 -4.951 -8.089 1.00 0.00 N ATOM 527 CA ALA A 27 -4.428 -4.299 -9.244 1.00 0.00 C ATOM 528 C ALA A 27 -4.603 -2.786 -9.174 1.00 0.00 C ATOM 529 O ALA A 27 -3.659 -2.032 -9.406 1.00 0.00 O ATOM 530 CB ALA A 27 -5.030 -4.843 -10.531 1.00 0.00 C ATOM 0 H ALA A 27 -5.750 -5.637 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.360 -4.515 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.570 -4.347 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.848 -5.916 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.104 -4.656 -10.538 1.00 0.00 H new ATOM 536 N GLU A 28 -5.817 -2.350 -8.854 1.00 0.00 N ATOM 537 CA GLU A 28 -6.115 -0.926 -8.755 1.00 0.00 C ATOM 538 C GLU A 28 -5.238 -0.258 -7.700 1.00 0.00 C ATOM 539 O GLU A 28 -4.717 0.838 -7.912 1.00 0.00 O ATOM 540 CB GLU A 28 -7.592 -0.713 -8.416 1.00 0.00 C ATOM 541 CG GLU A 28 -8.538 -1.129 -9.529 1.00 0.00 C ATOM 542 CD GLU A 28 -8.429 -0.239 -10.752 1.00 0.00 C ATOM 543 OE1 GLU A 28 -7.478 -0.424 -11.539 1.00 0.00 O ATOM 544 OE2 GLU A 28 -9.296 0.645 -10.921 1.00 0.00 O ATOM 0 H GLU A 28 -6.610 -2.962 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.902 -0.469 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.834 -1.277 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.755 0.340 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.326 -2.159 -9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.562 -1.105 -9.157 1.00 0.00 H new ATOM 551 N LEU A 29 -5.081 -0.925 -6.562 1.00 0.00 N ATOM 552 CA LEU A 29 -4.268 -0.398 -5.472 1.00 0.00 C ATOM 553 C LEU A 29 -2.792 -0.371 -5.856 1.00 0.00 C ATOM 554 O LEU A 29 -2.072 0.572 -5.530 1.00 0.00 O ATOM 555 CB LEU A 29 -4.463 -1.240 -4.210 1.00 0.00 C ATOM 556 CG LEU A 29 -5.829 -1.129 -3.533 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.999 -2.223 -2.490 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.001 0.244 -2.901 1.00 0.00 C ATOM 0 H LEU A 29 -5.506 -1.832 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.591 0.624 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.290 -2.286 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.698 -0.957 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.600 -1.257 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.977 -2.128 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.921 -3.199 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.221 -2.128 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.979 0.305 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.223 0.401 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.925 1.011 -3.671 1.00 0.00 H new ATOM 570 N ALA A 30 -2.349 -1.412 -6.554 1.00 0.00 N ATOM 571 CA ALA A 30 -0.960 -1.506 -6.987 1.00 0.00 C ATOM 572 C ALA A 30 -0.611 -0.383 -7.957 1.00 0.00 C ATOM 573 O ALA A 30 0.430 0.260 -7.826 1.00 0.00 O ATOM 574 CB ALA A 30 -0.698 -2.861 -7.627 1.00 0.00 C ATOM 0 H ALA A 30 -2.932 -2.202 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.323 -1.403 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.343 -2.918 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.899 -3.650 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.350 -2.987 -8.492 1.00 0.00 H new ATOM 580 N GLU A 31 -1.486 -0.155 -8.931 1.00 0.00 N ATOM 581 CA GLU A 31 -1.268 0.890 -9.924 1.00 0.00 C ATOM 582 C GLU A 31 -1.243 2.268 -9.268 1.00 0.00 C ATOM 583 O GLU A 31 -0.436 3.124 -9.630 1.00 0.00 O ATOM 584 CB GLU A 31 -2.360 0.843 -10.995 1.00 0.00 C ATOM 585 CG GLU A 31 -2.369 -0.447 -11.798 1.00 0.00 C ATOM 586 CD GLU A 31 -1.271 -0.492 -12.842 1.00 0.00 C ATOM 587 OE1 GLU A 31 -1.493 0.021 -13.959 1.00 0.00 O ATOM 588 OE2 GLU A 31 -0.190 -1.041 -12.544 1.00 0.00 O ATOM 0 H GLU A 31 -2.352 -0.680 -9.054 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.300 0.713 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.331 0.971 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.226 1.684 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.256 -1.293 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.336 -0.559 -12.288 1.00 0.00 H new ATOM 595 N ARG A 32 -2.132 2.473 -8.302 1.00 0.00 N ATOM 596 CA ARG A 32 -2.213 3.746 -7.597 1.00 0.00 C ATOM 597 C ARG A 32 -0.948 3.998 -6.782 1.00 0.00 C ATOM 598 O ARG A 32 -0.380 5.091 -6.820 1.00 0.00 O ATOM 599 CB ARG A 32 -3.437 3.767 -6.678 1.00 0.00 C ATOM 600 CG ARG A 32 -3.502 4.991 -5.779 1.00 0.00 C ATOM 601 CD ARG A 32 -4.753 4.980 -4.915 1.00 0.00 C ATOM 602 NE ARG A 32 -5.214 6.331 -4.602 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.624 7.198 -5.521 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.632 6.858 -6.802 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.028 8.409 -5.158 1.00 0.00 N ATOM 0 H ARG A 32 -2.806 1.774 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.310 4.538 -8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.340 3.726 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.431 2.871 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.618 5.023 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.488 5.894 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.545 4.437 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.549 4.443 -3.989 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.221 6.624 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.323 5.928 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.947 7.526 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.024 8.674 -4.173 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.343 9.075 -5.864 1.00 0.00 H new ATOM 619 N LEU A 33 -0.512 2.982 -6.046 1.00 0.00 N ATOM 620 CA LEU A 33 0.686 3.093 -5.221 1.00 0.00 C ATOM 621 C LEU A 33 1.926 3.297 -6.087 1.00 0.00 C ATOM 622 O LEU A 33 2.772 4.138 -5.785 1.00 0.00 O ATOM 623 CB LEU A 33 0.853 1.841 -4.358 1.00 0.00 C ATOM 624 CG LEU A 33 2.198 1.691 -3.647 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.500 2.924 -2.810 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.206 0.441 -2.779 1.00 0.00 C ATOM 0 H LEU A 33 -0.970 2.072 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 33 0.571 3.961 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.064 1.835 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.699 0.966 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 33 2.977 1.590 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.461 2.799 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.537 3.802 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.718 3.057 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.171 0.350 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.417 0.512 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.036 -0.436 -3.403 1.00 0.00 H new ATOM 638 N GLN A 34 2.023 2.524 -7.163 1.00 0.00 N ATOM 639 CA GLN A 34 3.159 2.621 -8.073 1.00 0.00 C ATOM 640 C GLN A 34 3.260 4.021 -8.669 1.00 0.00 C ATOM 641 O GLN A 34 4.353 4.565 -8.817 1.00 0.00 O ATOM 642 CB GLN A 34 3.034 1.585 -9.191 1.00 0.00 C ATOM 643 CG GLN A 34 4.326 1.360 -9.960 1.00 0.00 C ATOM 644 CD GLN A 34 5.214 0.315 -9.314 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.292 -0.823 -9.779 1.00 0.00 O ATOM 646 NE2 GLN A 34 5.890 0.696 -8.237 1.00 0.00 N ATOM 0 H GLN A 34 1.330 1.824 -7.427 1.00 0.00 H new ATOM 0 HA GLN A 34 4.067 2.422 -7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.707 0.638 -8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.258 1.905 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.089 1.051 -10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.871 2.301 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.795 1.649 -7.886 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.504 0.036 -7.760 1.00 0.00 H new ATOM 655 N ALA A 35 2.112 4.598 -9.010 1.00 0.00 N ATOM 656 CA ALA A 35 2.072 5.935 -9.589 1.00 0.00 C ATOM 657 C ALA A 35 2.723 6.955 -8.661 1.00 0.00 C ATOM 658 O ALA A 35 3.492 7.807 -9.103 1.00 0.00 O ATOM 659 CB ALA A 35 0.635 6.336 -9.892 1.00 0.00 C ATOM 0 H ALA A 35 1.198 4.160 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 35 2.637 5.918 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.620 7.337 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.201 5.629 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.053 6.330 -8.970 1.00 0.00 H new ATOM 665 N ALA A 36 2.409 6.861 -7.373 1.00 0.00 N ATOM 666 CA ALA A 36 2.965 7.775 -6.383 1.00 0.00 C ATOM 667 C ALA A 36 4.473 7.590 -6.251 1.00 0.00 C ATOM 668 O ALA A 36 5.221 8.562 -6.140 1.00 0.00 O ATOM 669 CB ALA A 36 2.286 7.572 -5.037 1.00 0.00 C ATOM 0 H ALA A 36 1.773 6.161 -6.991 1.00 0.00 H new ATOM 0 HA ALA A 36 2.779 8.794 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.711 8.261 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.217 7.762 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.442 6.547 -4.702 1.00 0.00 H new ATOM 675 N LEU A 37 4.913 6.337 -6.262 1.00 0.00 N ATOM 676 CA LEU A 37 6.333 6.024 -6.142 1.00 0.00 C ATOM 677 C LEU A 37 7.108 6.541 -7.349 1.00 0.00 C ATOM 678 O LEU A 37 8.164 7.158 -7.204 1.00 0.00 O ATOM 679 CB LEU A 37 6.532 4.513 -6.002 1.00 0.00 C ATOM 680 CG LEU A 37 6.118 3.903 -4.663 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.082 2.385 -4.757 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.064 4.349 -3.558 1.00 0.00 C ATOM 0 H LEU A 37 4.307 5.521 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 37 6.715 6.519 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.970 4.018 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.585 4.288 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 37 5.116 4.255 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.785 1.968 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.364 2.085 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.071 2.013 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.754 3.905 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.078 4.027 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.039 5.435 -3.474 1.00 0.00 H new