USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=3 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+ -168:sc= 0 (180deg=-0.0825) USER MOD Single : A 9 ASN : amide:sc= -1.11 K(o=-1.1,f=-13!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 34 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 6.390 -3.788 -6.715 1.00 0.00 N ATOM 96 CA VAL A 3 5.125 -3.667 -6.000 1.00 0.00 C ATOM 97 C VAL A 3 4.287 -4.931 -6.147 1.00 0.00 C ATOM 98 O VAL A 3 3.710 -5.422 -5.176 1.00 0.00 O ATOM 99 CB VAL A 3 4.309 -2.461 -6.504 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.066 -2.570 -8.002 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.993 -2.356 -5.748 1.00 0.00 C ATOM 0 HA VAL A 3 5.369 -3.518 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 3 4.882 -1.552 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.488 -1.710 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.022 -2.593 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.513 -3.485 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.429 -1.499 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.412 -3.266 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.194 -2.228 -4.684 1.00 0.00 H new ATOM 111 N ARG A 4 4.224 -5.454 -7.367 1.00 0.00 N ATOM 112 CA ARG A 4 3.455 -6.662 -7.641 1.00 0.00 C ATOM 113 C ARG A 4 3.643 -7.691 -6.530 1.00 0.00 C ATOM 114 O ARG A 4 2.751 -8.494 -6.256 1.00 0.00 O ATOM 115 CB ARG A 4 3.873 -7.264 -8.984 1.00 0.00 C ATOM 116 CG ARG A 4 5.290 -7.814 -8.990 1.00 0.00 C ATOM 117 CD ARG A 4 6.300 -6.746 -9.382 1.00 0.00 C ATOM 118 NE ARG A 4 6.006 -6.168 -10.690 1.00 0.00 N ATOM 119 CZ ARG A 4 6.822 -5.333 -11.325 1.00 0.00 C ATOM 120 NH1 ARG A 4 7.975 -4.981 -10.774 1.00 0.00 N ATOM 121 NH2 ARG A 4 6.484 -4.849 -12.513 1.00 0.00 N ATOM 0 H ARG A 4 4.696 -5.060 -8.181 1.00 0.00 H new ATOM 0 HA ARG A 4 2.401 -6.389 -7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.181 -8.064 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.785 -6.501 -9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.535 -8.203 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.354 -8.650 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.304 -5.957 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.300 -7.180 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 4 5.126 -6.419 -11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.238 -5.351 -9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.599 -4.340 -11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.597 -5.118 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.111 -4.208 -13.000 1.00 0.00 H new ATOM 135 N ARG A 5 4.809 -7.660 -5.894 1.00 0.00 N ATOM 136 CA ARG A 5 5.115 -8.591 -4.814 1.00 0.00 C ATOM 137 C ARG A 5 4.573 -8.077 -3.484 1.00 0.00 C ATOM 138 O ARG A 5 5.136 -8.352 -2.423 1.00 0.00 O ATOM 139 CB ARG A 5 6.626 -8.807 -4.711 1.00 0.00 C ATOM 140 CG ARG A 5 7.274 -9.216 -6.024 1.00 0.00 C ATOM 141 CD ARG A 5 8.563 -9.987 -5.793 1.00 0.00 C ATOM 142 NE ARG A 5 9.724 -9.104 -5.719 1.00 0.00 N ATOM 143 CZ ARG A 5 10.107 -8.485 -4.608 1.00 0.00 C ATOM 144 NH1 ARG A 5 9.425 -8.652 -3.483 1.00 0.00 N ATOM 145 NH2 ARG A 5 11.174 -7.697 -4.620 1.00 0.00 N ATOM 0 H ARG A 5 5.557 -7.001 -6.107 1.00 0.00 H new ATOM 0 HA ARG A 5 4.633 -9.542 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.092 -7.888 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.825 -9.575 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.580 -9.830 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.482 -8.328 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.483 -10.558 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.705 -10.706 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 5 10.271 -8.954 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.604 -9.257 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.721 -8.175 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.701 -7.566 -5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.467 -7.222 -3.766 1.00 0.00 H new ATOM 159 N LEU A 6 3.477 -7.329 -3.547 1.00 0.00 N ATOM 160 CA LEU A 6 2.857 -6.775 -2.348 1.00 0.00 C ATOM 161 C LEU A 6 1.367 -7.098 -2.306 1.00 0.00 C ATOM 162 O LEU A 6 0.590 -6.599 -3.121 1.00 0.00 O ATOM 163 CB LEU A 6 3.065 -5.261 -2.295 1.00 0.00 C ATOM 164 CG LEU A 6 4.507 -4.787 -2.113 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.647 -3.331 -2.529 1.00 0.00 C ATOM 166 CD2 LEU A 6 4.953 -4.976 -0.670 1.00 0.00 C ATOM 0 H LEU A 6 2.999 -7.092 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 6 3.333 -7.231 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.675 -4.829 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.466 -4.861 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 6 5.151 -5.390 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.680 -3.011 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.370 -3.224 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.992 -2.713 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.982 -4.633 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.305 -4.399 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.892 -6.032 -0.406 1.00 0.00 H new ATOM 178 N LYS A 7 0.974 -7.933 -1.350 1.00 0.00 N ATOM 179 CA LYS A 7 -0.423 -8.320 -1.199 1.00 0.00 C ATOM 180 C LYS A 7 -1.304 -7.097 -0.962 1.00 0.00 C ATOM 181 O LYS A 7 -0.806 -5.982 -0.802 1.00 0.00 O ATOM 182 CB LYS A 7 -0.578 -9.305 -0.038 1.00 0.00 C ATOM 183 CG LYS A 7 -0.411 -10.758 -0.448 1.00 0.00 C ATOM 184 CD LYS A 7 1.053 -11.122 -0.629 1.00 0.00 C ATOM 185 CE LYS A 7 1.261 -12.629 -0.595 1.00 0.00 C ATOM 186 NZ LYS A 7 1.142 -13.174 0.785 1.00 0.00 N ATOM 0 H LYS A 7 1.604 -8.355 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.742 -8.803 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.157 -9.066 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.563 -9.173 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.856 -11.404 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.949 -10.939 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.413 -10.725 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.645 -10.654 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.527 -13.112 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.246 -12.869 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.486 -14.155 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.711 -12.596 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.146 -13.152 1.082 1.00 0.00 H new ATOM 200 N VAL A 8 -2.615 -7.313 -0.940 1.00 0.00 N ATOM 201 CA VAL A 8 -3.565 -6.229 -0.720 1.00 0.00 C ATOM 202 C VAL A 8 -3.284 -5.510 0.595 1.00 0.00 C ATOM 203 O VAL A 8 -3.393 -4.288 0.682 1.00 0.00 O ATOM 204 CB VAL A 8 -5.016 -6.747 -0.709 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.367 -7.380 -2.047 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.219 -7.737 0.428 1.00 0.00 C ATOM 0 H VAL A 8 -3.044 -8.229 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.443 -5.529 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.684 -5.901 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.395 -7.740 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.262 -6.638 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.695 -8.216 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.249 -8.093 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.542 -8.582 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.011 -7.247 1.379 1.00 0.00 H new ATOM 216 N ASN A 9 -2.920 -6.278 1.617 1.00 0.00 N ATOM 217 CA ASN A 9 -2.623 -5.715 2.929 1.00 0.00 C ATOM 218 C ASN A 9 -1.379 -4.834 2.873 1.00 0.00 C ATOM 219 O ASN A 9 -1.337 -3.764 3.480 1.00 0.00 O ATOM 220 CB ASN A 9 -2.424 -6.833 3.954 1.00 0.00 C ATOM 221 CG ASN A 9 -1.702 -8.032 3.370 1.00 0.00 C ATOM 222 OD1 ASN A 9 -0.804 -7.885 2.540 1.00 0.00 O ATOM 223 ND2 ASN A 9 -2.091 -9.225 3.802 1.00 0.00 N ATOM 0 H ASN A 9 -2.824 -7.292 1.562 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.470 -5.100 3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.857 -6.448 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.395 -7.148 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.641 -10.068 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.840 -9.299 4.491 1.00 0.00 H new ATOM 230 N GLU A 10 -0.368 -5.292 2.141 1.00 0.00 N ATOM 231 CA GLU A 10 0.877 -4.545 2.007 1.00 0.00 C ATOM 232 C GLU A 10 0.656 -3.256 1.220 1.00 0.00 C ATOM 233 O GLU A 10 1.203 -2.206 1.560 1.00 0.00 O ATOM 234 CB GLU A 10 1.940 -5.402 1.316 1.00 0.00 C ATOM 235 CG GLU A 10 2.447 -6.550 2.172 1.00 0.00 C ATOM 236 CD GLU A 10 3.539 -6.122 3.134 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.203 -5.690 4.257 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.728 -6.219 2.764 1.00 0.00 O ATOM 0 H GLU A 10 -0.387 -6.176 1.632 1.00 0.00 H new ATOM 0 HA GLU A 10 1.224 -4.285 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.526 -5.805 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.782 -4.768 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.616 -6.972 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.827 -7.341 1.525 1.00 0.00 H new ATOM 245 N LEU A 11 -0.148 -3.344 0.166 1.00 0.00 N ATOM 246 CA LEU A 11 -0.441 -2.186 -0.671 1.00 0.00 C ATOM 247 C LEU A 11 -1.239 -1.142 0.104 1.00 0.00 C ATOM 248 O LEU A 11 -0.977 0.056 0.001 1.00 0.00 O ATOM 249 CB LEU A 11 -1.218 -2.616 -1.917 1.00 0.00 C ATOM 250 CG LEU A 11 -0.520 -3.628 -2.826 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.521 -4.274 -3.773 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.601 -2.959 -3.607 1.00 0.00 C ATOM 0 H LEU A 11 -0.608 -4.205 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 11 0.506 -1.740 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.170 -3.040 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.445 -1.726 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.085 -4.409 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.006 -4.991 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.289 -4.788 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.986 -3.506 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.087 -3.694 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.189 -2.158 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.332 -2.545 -2.912 1.00 0.00 H new ATOM 264 N ARG A 12 -2.212 -1.606 0.882 1.00 0.00 N ATOM 265 CA ARG A 12 -3.047 -0.712 1.676 1.00 0.00 C ATOM 266 C ARG A 12 -2.203 0.079 2.670 1.00 0.00 C ATOM 267 O ARG A 12 -2.416 1.275 2.865 1.00 0.00 O ATOM 268 CB ARG A 12 -4.119 -1.510 2.421 1.00 0.00 C ATOM 269 CG ARG A 12 -5.368 -1.771 1.594 1.00 0.00 C ATOM 270 CD ARG A 12 -6.493 -2.333 2.449 1.00 0.00 C ATOM 271 NE ARG A 12 -7.291 -1.278 3.067 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.543 -1.447 3.477 1.00 0.00 C ATOM 273 NH1 ARG A 12 -9.137 -2.624 3.336 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.203 -0.438 4.031 1.00 0.00 N ATOM 0 H ARG A 12 -2.441 -2.595 0.979 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.532 -0.010 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.696 -2.464 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.399 -0.970 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.695 -0.844 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.135 -2.471 0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.137 -2.961 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.073 -2.972 3.226 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.863 -0.360 3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.632 -3.402 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.099 -2.751 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.749 0.469 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.164 -0.569 4.345 1.00 0.00 H new ATOM 288 N GLU A 13 -1.246 -0.597 3.297 1.00 0.00 N ATOM 289 CA GLU A 13 -0.372 0.043 4.273 1.00 0.00 C ATOM 290 C GLU A 13 0.450 1.152 3.621 1.00 0.00 C ATOM 291 O GLU A 13 0.569 2.250 4.163 1.00 0.00 O ATOM 292 CB GLU A 13 0.560 -0.989 4.911 1.00 0.00 C ATOM 293 CG GLU A 13 -0.167 -2.034 5.740 1.00 0.00 C ATOM 294 CD GLU A 13 -0.325 -1.623 7.191 1.00 0.00 C ATOM 295 OE1 GLU A 13 -1.178 -0.755 7.472 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.405 -2.168 8.045 1.00 0.00 O ATOM 0 H GLU A 13 -1.056 -1.588 3.147 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.998 0.485 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.126 -1.490 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.281 -0.472 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.152 -2.214 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.380 -2.976 5.691 1.00 0.00 H new ATOM 303 N GLU A 14 1.016 0.854 2.455 1.00 0.00 N ATOM 304 CA GLU A 14 1.827 1.825 1.731 1.00 0.00 C ATOM 305 C GLU A 14 0.980 3.008 1.271 1.00 0.00 C ATOM 306 O GLU A 14 1.371 4.165 1.426 1.00 0.00 O ATOM 307 CB GLU A 14 2.498 1.164 0.525 1.00 0.00 C ATOM 308 CG GLU A 14 3.555 0.140 0.902 1.00 0.00 C ATOM 309 CD GLU A 14 4.425 0.598 2.058 1.00 0.00 C ATOM 310 OE1 GLU A 14 3.933 0.598 3.206 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.596 0.955 1.814 1.00 0.00 O ATOM 0 H GLU A 14 0.928 -0.051 1.993 1.00 0.00 H new ATOM 0 HA GLU A 14 2.597 2.194 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.735 0.679 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.956 1.936 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.068 -0.798 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.185 -0.062 0.036 1.00 0.00 H new ATOM 318 N LEU A 15 -0.183 2.708 0.703 1.00 0.00 N ATOM 319 CA LEU A 15 -1.088 3.746 0.218 1.00 0.00 C ATOM 320 C LEU A 15 -1.579 4.620 1.368 1.00 0.00 C ATOM 321 O LEU A 15 -1.648 5.842 1.244 1.00 0.00 O ATOM 322 CB LEU A 15 -2.280 3.114 -0.503 1.00 0.00 C ATOM 323 CG LEU A 15 -1.963 2.377 -1.805 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.115 1.464 -2.195 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.664 3.368 -2.920 1.00 0.00 C ATOM 0 H LEU A 15 -0.522 1.756 0.567 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.539 4.375 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.762 2.414 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.005 3.898 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.077 1.762 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.872 0.948 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.282 0.731 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.018 2.058 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.441 2.826 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.531 4.009 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.806 3.980 -2.642 1.00 0.00 H new ATOM 337 N GLN A 16 -1.916 3.985 2.485 1.00 0.00 N ATOM 338 CA GLN A 16 -2.400 4.706 3.657 1.00 0.00 C ATOM 339 C GLN A 16 -1.320 5.630 4.211 1.00 0.00 C ATOM 340 O GLN A 16 -1.589 6.784 4.544 1.00 0.00 O ATOM 341 CB GLN A 16 -2.848 3.721 4.738 1.00 0.00 C ATOM 342 CG GLN A 16 -3.894 4.290 5.683 1.00 0.00 C ATOM 343 CD GLN A 16 -4.817 3.225 6.242 1.00 0.00 C ATOM 344 OE1 GLN A 16 -5.556 2.577 5.500 1.00 0.00 O ATOM 345 NE2 GLN A 16 -4.780 3.039 7.556 1.00 0.00 N ATOM 0 H GLN A 16 -1.863 2.973 2.604 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.252 5.314 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.250 2.828 4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.979 3.409 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.395 4.801 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.486 5.038 5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.152 3.599 8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.379 2.336 7.989 1.00 0.00 H new ATOM 354 N ARG A 17 -0.099 5.115 4.306 1.00 0.00 N ATOM 355 CA ARG A 17 1.021 5.894 4.821 1.00 0.00 C ATOM 356 C ARG A 17 1.238 7.152 3.984 1.00 0.00 C ATOM 357 O ARG A 17 1.643 8.192 4.503 1.00 0.00 O ATOM 358 CB ARG A 17 2.296 5.049 4.832 1.00 0.00 C ATOM 359 CG ARG A 17 2.433 4.170 6.064 1.00 0.00 C ATOM 360 CD ARG A 17 3.556 3.157 5.904 1.00 0.00 C ATOM 361 NE ARG A 17 4.039 2.667 7.192 1.00 0.00 N ATOM 362 CZ ARG A 17 3.343 1.850 7.975 1.00 0.00 C ATOM 363 NH1 ARG A 17 2.140 1.433 7.602 1.00 0.00 N ATOM 364 NH2 ARG A 17 3.850 1.447 9.133 1.00 0.00 N ATOM 0 H ARG A 17 0.140 4.162 4.033 1.00 0.00 H new ATOM 0 HA ARG A 17 0.784 6.194 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.312 4.419 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.160 5.710 4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.626 4.793 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.494 3.648 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.204 2.317 5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.381 3.614 5.357 1.00 0.00 H new ATOM 0 HE ARG A 17 4.961 2.968 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.747 1.740 6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.608 0.806 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.775 1.764 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.315 0.820 9.733 1.00 0.00 H new ATOM 378 N ARG A 18 0.968 7.047 2.687 1.00 0.00 N ATOM 379 CA ARG A 18 1.136 8.175 1.778 1.00 0.00 C ATOM 380 C ARG A 18 -0.095 9.077 1.798 1.00 0.00 C ATOM 381 O ARG A 18 -0.004 10.274 1.529 1.00 0.00 O ATOM 382 CB ARG A 18 1.393 7.676 0.355 1.00 0.00 C ATOM 383 CG ARG A 18 2.855 7.368 0.073 1.00 0.00 C ATOM 384 CD ARG A 18 3.151 7.391 -1.418 1.00 0.00 C ATOM 385 NE ARG A 18 3.540 8.721 -1.878 1.00 0.00 N ATOM 386 CZ ARG A 18 4.761 9.224 -1.727 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.706 8.510 -1.131 1.00 0.00 N ATOM 388 NH2 ARG A 18 5.038 10.442 -2.173 1.00 0.00 N ATOM 0 H ARG A 18 0.632 6.193 2.242 1.00 0.00 H new ATOM 0 HA ARG A 18 1.996 8.755 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.801 6.777 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.046 8.428 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.486 8.097 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.107 6.389 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.949 6.683 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.270 7.061 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 18 2.836 9.296 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.497 7.573 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.642 8.898 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.314 10.994 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.975 10.827 -2.056 1.00 0.00 H new ATOM 402 N GLY A 19 -1.246 8.492 2.117 1.00 0.00 N ATOM 403 CA GLY A 19 -2.478 9.257 2.165 1.00 0.00 C ATOM 404 C GLY A 19 -3.308 9.099 0.906 1.00 0.00 C ATOM 405 O GLY A 19 -4.182 9.919 0.623 1.00 0.00 O ATOM 0 H GLY A 19 -1.347 7.502 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.066 8.940 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.242 10.311 2.311 1.00 0.00 H new ATOM 409 N LEU A 20 -3.034 8.043 0.148 1.00 0.00 N ATOM 410 CA LEU A 20 -3.761 7.781 -1.090 1.00 0.00 C ATOM 411 C LEU A 20 -4.949 6.858 -0.838 1.00 0.00 C ATOM 412 O LEU A 20 -4.915 6.017 0.061 1.00 0.00 O ATOM 413 CB LEU A 20 -2.828 7.159 -2.130 1.00 0.00 C ATOM 414 CG LEU A 20 -1.597 7.984 -2.506 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.652 7.167 -3.374 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.009 9.263 -3.220 1.00 0.00 C ATOM 0 H LEU A 20 -2.314 7.355 0.368 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.137 8.731 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.492 6.192 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.403 6.967 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.072 8.256 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.218 7.770 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.330 6.281 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.166 6.864 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.120 9.837 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.557 9.012 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.646 9.857 -2.564 1.00 0.00 H new ATOM 428 N ASP A 21 -5.997 7.019 -1.639 1.00 0.00 N ATOM 429 CA ASP A 21 -7.194 6.197 -1.505 1.00 0.00 C ATOM 430 C ASP A 21 -6.829 4.723 -1.362 1.00 0.00 C ATOM 431 O ASP A 21 -5.956 4.217 -2.068 1.00 0.00 O ATOM 432 CB ASP A 21 -8.110 6.393 -2.714 1.00 0.00 C ATOM 433 CG ASP A 21 -9.557 6.065 -2.403 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.798 5.269 -1.472 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.449 6.605 -3.091 1.00 0.00 O ATOM 0 H ASP A 21 -6.042 7.711 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.721 6.511 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.040 7.426 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.765 5.762 -3.533 1.00 0.00 H new ATOM 440 N THR A 22 -7.501 4.039 -0.442 1.00 0.00 N ATOM 441 CA THR A 22 -7.247 2.624 -0.204 1.00 0.00 C ATOM 442 C THR A 22 -8.418 1.768 -0.671 1.00 0.00 C ATOM 443 O THR A 22 -8.720 0.733 -0.076 1.00 0.00 O ATOM 444 CB THR A 22 -6.984 2.343 1.288 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.995 2.966 2.089 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.614 2.858 1.702 1.00 0.00 C ATOM 0 H THR A 22 -8.226 4.443 0.151 1.00 0.00 H new ATOM 0 HA THR A 22 -6.358 2.363 -0.778 1.00 0.00 H new ATOM 0 HB THR A 22 -7.011 1.264 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.822 2.781 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.451 2.648 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.845 2.362 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.563 3.934 1.533 1.00 0.00 H new ATOM 454 N ARG A 23 -9.074 2.205 -1.741 1.00 0.00 N ATOM 455 CA ARG A 23 -10.214 1.478 -2.288 1.00 0.00 C ATOM 456 C ARG A 23 -9.902 0.951 -3.686 1.00 0.00 C ATOM 457 O ARG A 23 -8.942 1.383 -4.324 1.00 0.00 O ATOM 458 CB ARG A 23 -11.447 2.382 -2.336 1.00 0.00 C ATOM 459 CG ARG A 23 -11.942 2.811 -0.965 1.00 0.00 C ATOM 460 CD ARG A 23 -13.115 3.773 -1.071 1.00 0.00 C ATOM 461 NE ARG A 23 -14.292 3.138 -1.658 1.00 0.00 N ATOM 462 CZ ARG A 23 -15.287 3.813 -2.221 1.00 0.00 C ATOM 463 NH1 ARG A 23 -15.247 5.137 -2.275 1.00 0.00 N ATOM 464 NH2 ARG A 23 -16.325 3.164 -2.733 1.00 0.00 N ATOM 0 H ARG A 23 -8.836 3.058 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.419 0.629 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.213 3.270 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.250 1.859 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.241 1.932 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.129 3.286 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.364 4.152 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.826 4.632 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.353 2.120 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.450 5.640 -1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.013 5.653 -2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.359 2.145 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.089 3.684 -3.165 1.00 0.00 H new ATOM 478 N GLY A 24 -10.719 0.013 -4.155 1.00 0.00 N ATOM 479 CA GLY A 24 -10.513 -0.559 -5.473 1.00 0.00 C ATOM 480 C GLY A 24 -9.855 -1.923 -5.417 1.00 0.00 C ATOM 481 O GLY A 24 -9.167 -2.250 -4.449 1.00 0.00 O ATOM 0 H GLY A 24 -11.520 -0.361 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.473 -0.643 -5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.895 0.115 -6.066 1.00 0.00 H new ATOM 485 N LEU A 25 -10.067 -2.724 -6.456 1.00 0.00 N ATOM 486 CA LEU A 25 -9.490 -4.062 -6.520 1.00 0.00 C ATOM 487 C LEU A 25 -8.004 -4.032 -6.180 1.00 0.00 C ATOM 488 O LEU A 25 -7.367 -2.979 -6.223 1.00 0.00 O ATOM 489 CB LEU A 25 -9.694 -4.660 -7.914 1.00 0.00 C ATOM 490 CG LEU A 25 -11.090 -5.206 -8.213 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.306 -5.329 -9.713 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.294 -6.551 -7.530 1.00 0.00 C ATOM 0 H LEU A 25 -10.634 -2.470 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.999 -4.686 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.459 -3.894 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.974 -5.467 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.825 -4.505 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.305 -5.719 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.204 -4.348 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.564 -6.008 -10.133 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.293 -6.925 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.551 -7.261 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.184 -6.432 -6.452 1.00 0.00 H new ATOM 504 N LYS A 26 -7.455 -5.194 -5.843 1.00 0.00 N ATOM 505 CA LYS A 26 -6.043 -5.303 -5.498 1.00 0.00 C ATOM 506 C LYS A 26 -5.168 -4.685 -6.585 1.00 0.00 C ATOM 507 O LYS A 26 -4.262 -3.904 -6.296 1.00 0.00 O ATOM 508 CB LYS A 26 -5.658 -6.770 -5.292 1.00 0.00 C ATOM 509 CG LYS A 26 -4.165 -6.988 -5.118 1.00 0.00 C ATOM 510 CD LYS A 26 -3.477 -7.228 -6.451 1.00 0.00 C ATOM 511 CE LYS A 26 -1.985 -6.949 -6.367 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.417 -6.561 -7.688 1.00 0.00 N ATOM 0 H LYS A 26 -7.968 -6.075 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.879 -4.757 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.177 -7.153 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.004 -7.351 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.724 -6.118 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.995 -7.841 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.638 -8.260 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.925 -6.590 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.805 -6.152 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.470 -7.836 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.387 -6.445 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.625 -7.303 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.841 -5.664 -7.998 1.00 0.00 H new ATOM 526 N ALA A 27 -5.448 -5.039 -7.835 1.00 0.00 N ATOM 527 CA ALA A 27 -4.689 -4.516 -8.965 1.00 0.00 C ATOM 528 C ALA A 27 -4.775 -2.995 -9.027 1.00 0.00 C ATOM 529 O ALA A 27 -3.791 -2.321 -9.331 1.00 0.00 O ATOM 530 CB ALA A 27 -5.188 -5.129 -10.265 1.00 0.00 C ATOM 0 H ALA A 27 -6.194 -5.685 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.643 -4.789 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.613 -4.730 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.068 -6.212 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.242 -4.886 -10.401 1.00 0.00 H new ATOM 536 N GLU A 28 -5.958 -2.461 -8.738 1.00 0.00 N ATOM 537 CA GLU A 28 -6.171 -1.019 -8.763 1.00 0.00 C ATOM 538 C GLU A 28 -5.287 -0.320 -7.735 1.00 0.00 C ATOM 539 O GLU A 28 -4.794 0.784 -7.970 1.00 0.00 O ATOM 540 CB GLU A 28 -7.641 -0.694 -8.493 1.00 0.00 C ATOM 541 CG GLU A 28 -8.572 -1.100 -9.623 1.00 0.00 C ATOM 542 CD GLU A 28 -8.269 -0.373 -10.919 1.00 0.00 C ATOM 543 OE1 GLU A 28 -7.390 -0.841 -11.671 1.00 0.00 O ATOM 544 OE2 GLU A 28 -8.912 0.666 -11.180 1.00 0.00 O ATOM 0 H GLU A 28 -6.783 -3.005 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.902 -0.655 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.953 -1.197 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.741 0.377 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.492 -2.175 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.602 -0.898 -9.330 1.00 0.00 H new ATOM 551 N LEU A 29 -5.090 -0.971 -6.593 1.00 0.00 N ATOM 552 CA LEU A 29 -4.266 -0.413 -5.527 1.00 0.00 C ATOM 553 C LEU A 29 -2.800 -0.356 -5.945 1.00 0.00 C ATOM 554 O LEU A 29 -2.103 0.621 -5.671 1.00 0.00 O ATOM 555 CB LEU A 29 -4.413 -1.246 -4.252 1.00 0.00 C ATOM 556 CG LEU A 29 -5.803 -1.257 -3.615 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.865 -2.278 -2.489 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.165 0.129 -3.101 1.00 0.00 C ATOM 0 H LEU A 29 -5.490 -1.885 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.608 0.603 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.131 -2.274 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.700 -0.875 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.529 -1.541 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.861 -2.272 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.650 -3.270 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.128 -2.024 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.157 0.102 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.436 0.442 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.161 0.837 -3.930 1.00 0.00 H new ATOM 570 N ALA A 30 -2.339 -1.409 -6.611 1.00 0.00 N ATOM 571 CA ALA A 30 -0.957 -1.478 -7.071 1.00 0.00 C ATOM 572 C ALA A 30 -0.671 -0.399 -8.110 1.00 0.00 C ATOM 573 O ALA A 30 0.367 0.260 -8.063 1.00 0.00 O ATOM 574 CB ALA A 30 -0.659 -2.856 -7.642 1.00 0.00 C ATOM 0 H ALA A 30 -2.902 -2.227 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.305 -1.304 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.376 -2.893 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.815 -3.611 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.324 -3.053 -8.483 1.00 0.00 H new ATOM 580 N GLU A 31 -1.597 -0.226 -9.048 1.00 0.00 N ATOM 581 CA GLU A 31 -1.442 0.772 -10.100 1.00 0.00 C ATOM 582 C GLU A 31 -1.403 2.179 -9.513 1.00 0.00 C ATOM 583 O GLU A 31 -0.648 3.035 -9.974 1.00 0.00 O ATOM 584 CB GLU A 31 -2.584 0.661 -11.112 1.00 0.00 C ATOM 585 CG GLU A 31 -2.642 -0.683 -11.819 1.00 0.00 C ATOM 586 CD GLU A 31 -1.396 -0.967 -12.636 1.00 0.00 C ATOM 587 OE1 GLU A 31 -1.041 -0.125 -13.488 1.00 0.00 O ATOM 588 OE2 GLU A 31 -0.776 -2.030 -12.424 1.00 0.00 O ATOM 0 H GLU A 31 -2.462 -0.764 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.497 0.583 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.530 0.834 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.476 1.450 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.775 -1.473 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.514 -0.708 -12.473 1.00 0.00 H new ATOM 595 N ARG A 32 -2.223 2.412 -8.493 1.00 0.00 N ATOM 596 CA ARG A 32 -2.284 3.715 -7.843 1.00 0.00 C ATOM 597 C ARG A 32 -1.010 3.988 -7.049 1.00 0.00 C ATOM 598 O ARG A 32 -0.466 5.092 -7.087 1.00 0.00 O ATOM 599 CB ARG A 32 -3.501 3.791 -6.919 1.00 0.00 C ATOM 600 CG ARG A 32 -3.292 4.689 -5.710 1.00 0.00 C ATOM 601 CD ARG A 32 -4.457 4.594 -4.738 1.00 0.00 C ATOM 602 NE ARG A 32 -5.486 5.592 -5.017 1.00 0.00 N ATOM 603 CZ ARG A 32 -6.455 5.419 -5.910 1.00 0.00 C ATOM 604 NH1 ARG A 32 -6.527 4.293 -6.605 1.00 0.00 N ATOM 605 NH2 ARG A 32 -7.354 6.374 -6.108 1.00 0.00 N ATOM 0 H ARG A 32 -2.854 1.715 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.377 4.476 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.357 4.155 -7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.750 2.787 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.369 4.408 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.174 5.722 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.895 3.597 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.091 4.726 -3.720 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.460 6.470 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.838 3.556 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.272 4.163 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.302 7.242 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.097 6.240 -6.794 1.00 0.00 H new ATOM 619 N LEU A 33 -0.541 2.975 -6.329 1.00 0.00 N ATOM 620 CA LEU A 33 0.669 3.104 -5.524 1.00 0.00 C ATOM 621 C LEU A 33 1.886 3.361 -6.408 1.00 0.00 C ATOM 622 O LEU A 33 2.714 4.219 -6.105 1.00 0.00 O ATOM 623 CB LEU A 33 0.888 1.841 -4.690 1.00 0.00 C ATOM 624 CG LEU A 33 2.218 1.755 -3.939 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.357 2.914 -2.965 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.332 0.425 -3.209 1.00 0.00 C ATOM 0 H LEU A 33 -0.980 2.055 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 33 0.542 3.955 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.078 1.764 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.809 0.976 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 33 3.029 1.819 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.309 2.836 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.321 3.856 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.541 2.882 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.284 0.381 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.515 0.331 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.279 -0.391 -3.929 1.00 0.00 H new ATOM 638 N GLN A 34 1.985 2.613 -7.502 1.00 0.00 N ATOM 639 CA GLN A 34 3.099 2.761 -8.430 1.00 0.00 C ATOM 640 C GLN A 34 3.161 4.181 -8.984 1.00 0.00 C ATOM 641 O GLN A 34 4.234 4.779 -9.066 1.00 0.00 O ATOM 642 CB GLN A 34 2.971 1.759 -9.578 1.00 0.00 C ATOM 643 CG GLN A 34 4.011 1.949 -10.671 1.00 0.00 C ATOM 644 CD GLN A 34 3.559 2.920 -11.744 1.00 0.00 C ATOM 645 OE1 GLN A 34 2.743 2.581 -12.601 1.00 0.00 O ATOM 646 NE2 GLN A 34 4.089 4.137 -11.702 1.00 0.00 N ATOM 0 H GLN A 34 1.307 1.898 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 34 4.022 2.562 -7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.057 0.749 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.976 1.846 -10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.938 2.311 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.232 0.985 -11.129 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.762 4.375 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.823 4.833 -12.398 1.00 0.00 H new ATOM 655 N ALA A 35 2.005 4.714 -9.364 1.00 0.00 N ATOM 656 CA ALA A 35 1.928 6.064 -9.908 1.00 0.00 C ATOM 657 C ALA A 35 2.499 7.084 -8.930 1.00 0.00 C ATOM 658 O ALA A 35 3.151 8.047 -9.333 1.00 0.00 O ATOM 659 CB ALA A 35 0.488 6.412 -10.255 1.00 0.00 C ATOM 0 H ALA A 35 1.108 4.231 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 35 2.528 6.097 -10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.446 7.423 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.112 5.708 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.127 6.355 -9.357 1.00 0.00 H new ATOM 665 N ALA A 36 2.251 6.866 -7.642 1.00 0.00 N ATOM 666 CA ALA A 36 2.742 7.766 -6.606 1.00 0.00 C ATOM 667 C ALA A 36 4.239 7.580 -6.382 1.00 0.00 C ATOM 668 O ALA A 36 4.965 8.544 -6.136 1.00 0.00 O ATOM 669 CB ALA A 36 1.980 7.543 -5.309 1.00 0.00 C ATOM 0 H ALA A 36 1.713 6.074 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 36 2.576 8.790 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.357 8.222 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.919 7.734 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.116 6.513 -4.979 1.00 0.00 H new ATOM 675 N LEU A 37 4.695 6.335 -6.468 1.00 0.00 N ATOM 676 CA LEU A 37 6.106 6.022 -6.273 1.00 0.00 C ATOM 677 C LEU A 37 6.960 6.653 -7.369 1.00 0.00 C ATOM 678 O LEU A 37 7.949 7.329 -7.086 1.00 0.00 O ATOM 679 CB LEU A 37 6.316 4.507 -6.257 1.00 0.00 C ATOM 680 CG LEU A 37 5.787 3.769 -5.027 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.939 2.266 -5.199 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.509 4.240 -3.772 1.00 0.00 C ATOM 0 H LEU A 37 4.108 5.526 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 37 6.415 6.435 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.840 4.085 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.384 4.307 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 37 4.726 3.995 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.557 1.758 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.377 1.941 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.992 2.020 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.120 3.704 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.577 4.043 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.348 5.310 -3.639 1.00 0.00 H new