USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 386 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.7!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.050 -8.221 -2.354 1.00 0.00 N ATOM 89 CA ALA A 9 -0.864 -7.193 -2.989 1.00 0.00 C ATOM 90 C ALA A 9 -1.374 -6.185 -1.964 1.00 0.00 C ATOM 91 O ALA A 9 -1.960 -6.560 -0.949 1.00 0.00 O ATOM 92 CB ALA A 9 -2.030 -7.827 -3.732 1.00 0.00 C ATOM 0 HA ALA A 9 -0.238 -6.660 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.630 -7.047 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.649 -8.503 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.648 -8.386 -3.030 1.00 0.00 H new ATOM 98 N ALA A 10 -1.146 -4.904 -2.237 1.00 0.00 N ATOM 99 CA ALA A 10 -1.583 -3.842 -1.339 1.00 0.00 C ATOM 100 C ALA A 10 -2.019 -2.608 -2.120 1.00 0.00 C ATOM 101 O ALA A 10 -1.274 -2.094 -2.954 1.00 0.00 O ATOM 102 CB ALA A 10 -0.472 -3.486 -0.362 1.00 0.00 C ATOM 0 H ALA A 10 -0.661 -4.577 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.443 -4.206 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.812 -2.692 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.210 -4.365 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.404 -3.146 -0.915 1.00 0.00 H new ATOM 108 N ARG A 11 -3.231 -2.137 -1.845 1.00 0.00 N ATOM 109 CA ARG A 11 -3.767 -0.963 -2.523 1.00 0.00 C ATOM 110 C ARG A 11 -3.393 0.315 -1.778 1.00 0.00 C ATOM 111 O ARG A 11 -3.574 0.413 -0.563 1.00 0.00 O ATOM 112 CB ARG A 11 -5.288 -1.068 -2.645 1.00 0.00 C ATOM 113 CG ARG A 11 -5.884 -0.121 -3.674 1.00 0.00 C ATOM 114 CD ARG A 11 -7.399 -0.237 -3.727 1.00 0.00 C ATOM 115 NE ARG A 11 -8.017 0.074 -2.441 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.277 0.473 -2.308 1.00 0.00 C ATOM 117 NH1 ARG A 11 -10.049 0.609 -3.377 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.767 0.738 -1.104 1.00 0.00 N ATOM 0 H ARG A 11 -3.860 -2.551 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.331 -0.921 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.553 -2.092 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.737 -0.864 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.605 0.904 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.467 -0.341 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.788 0.439 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.675 -1.248 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.450 -0.020 -1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.676 0.407 -4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.016 0.916 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.176 0.635 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.735 1.044 -1.003 1.00 0.00 H new ATOM 132 N LEU A 12 -2.870 1.291 -2.512 1.00 0.00 N ATOM 133 CA LEU A 12 -2.470 2.563 -1.920 1.00 0.00 C ATOM 134 C LEU A 12 -3.674 3.294 -1.336 1.00 0.00 C ATOM 135 O LEU A 12 -4.586 3.691 -2.062 1.00 0.00 O ATOM 136 CB LEU A 12 -1.784 3.441 -2.968 1.00 0.00 C ATOM 137 CG LEU A 12 -0.276 3.244 -3.126 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.450 3.640 -1.850 1.00 0.00 C ATOM 139 CD2 LEU A 12 0.038 1.802 -3.495 1.00 0.00 C ATOM 0 H LEU A 12 -2.713 1.226 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.768 2.356 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.257 3.257 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.969 4.485 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 12 0.073 3.888 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.522 3.493 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.252 4.689 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.097 3.022 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.116 1.681 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.325 1.138 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.452 1.552 -4.436 1.00 0.00 H new ATOM 151 N LYS A 13 -3.670 3.472 -0.019 1.00 0.00 N ATOM 152 CA LYS A 13 -4.759 4.159 0.665 1.00 0.00 C ATOM 153 C LYS A 13 -5.162 5.423 -0.088 1.00 0.00 C ATOM 154 O LYS A 13 -6.341 5.770 -0.151 1.00 0.00 O ATOM 155 CB LYS A 13 -4.348 4.513 2.095 1.00 0.00 C ATOM 156 CG LYS A 13 -4.494 3.361 3.074 1.00 0.00 C ATOM 157 CD LYS A 13 -5.902 3.285 3.639 1.00 0.00 C ATOM 158 CE LYS A 13 -6.090 4.251 4.799 1.00 0.00 C ATOM 159 NZ LYS A 13 -7.528 4.541 5.052 1.00 0.00 N ATOM 0 H LYS A 13 -2.923 3.149 0.597 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.617 3.487 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.311 4.848 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.953 5.351 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.251 2.424 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.780 3.482 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.623 3.513 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.106 2.268 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.641 3.830 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.564 5.182 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.614 5.203 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.951 4.966 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.025 3.657 5.281 1.00 0.00 H new ATOM 173 N PHE A 14 -4.175 6.107 -0.658 1.00 0.00 N ATOM 174 CA PHE A 14 -4.427 7.332 -1.407 1.00 0.00 C ATOM 175 C PHE A 14 -3.256 7.657 -2.329 1.00 0.00 C ATOM 176 O PHE A 14 -2.202 7.024 -2.258 1.00 0.00 O ATOM 177 CB PHE A 14 -4.675 8.499 -0.448 1.00 0.00 C ATOM 178 CG PHE A 14 -5.825 8.270 0.490 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.117 8.603 0.117 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.614 7.721 1.745 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.177 8.394 0.979 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.671 7.510 2.611 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.954 7.846 2.227 1.00 0.00 C ATOM 0 H PHE A 14 -3.193 5.833 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.316 7.178 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.771 8.678 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.864 9.402 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.298 9.031 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.613 7.455 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.179 8.659 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.493 7.083 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.781 7.681 2.901 1.00 0.00 H new ATOM 193 N ASP A 15 -3.448 8.647 -3.194 1.00 0.00 N ATOM 194 CA ASP A 15 -2.408 9.057 -4.130 1.00 0.00 C ATOM 195 C ASP A 15 -1.173 9.555 -3.387 1.00 0.00 C ATOM 196 O ASP A 15 -1.249 10.498 -2.599 1.00 0.00 O ATOM 197 CB ASP A 15 -2.934 10.150 -5.062 1.00 0.00 C ATOM 198 CG ASP A 15 -3.849 11.127 -4.351 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.356 11.876 -3.481 1.00 0.00 O ATOM 200 OD2 ASP A 15 -5.057 11.143 -4.664 1.00 0.00 O ATOM 0 H ASP A 15 -4.314 9.180 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.125 8.188 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.092 10.693 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.473 9.689 -5.890 1.00 0.00 H new ATOM 205 N PHE A 16 -0.037 8.916 -3.642 1.00 0.00 N ATOM 206 CA PHE A 16 1.215 9.293 -2.995 1.00 0.00 C ATOM 207 C PHE A 16 2.131 10.026 -3.970 1.00 0.00 C ATOM 208 O PHE A 16 2.388 9.548 -5.075 1.00 0.00 O ATOM 209 CB PHE A 16 1.923 8.053 -2.446 1.00 0.00 C ATOM 210 CG PHE A 16 3.256 8.352 -1.821 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.385 9.363 -0.882 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.380 7.621 -2.171 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.610 9.641 -0.306 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.608 7.894 -1.598 1.00 0.00 C ATOM 215 CZ PHE A 16 5.722 8.904 -0.664 1.00 0.00 C ATOM 0 H PHE A 16 0.043 8.134 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 16 0.981 9.965 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.282 7.576 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.062 7.336 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.518 9.940 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.296 6.829 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.698 10.433 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.477 7.318 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.680 9.118 -0.213 1.00 0.00 H new ATOM 225 N GLN A 17 2.620 11.189 -3.553 1.00 0.00 N ATOM 226 CA GLN A 17 3.506 11.989 -4.390 1.00 0.00 C ATOM 227 C GLN A 17 4.933 11.963 -3.851 1.00 0.00 C ATOM 228 O GLN A 17 5.234 12.584 -2.832 1.00 0.00 O ATOM 229 CB GLN A 17 3.004 13.432 -4.467 1.00 0.00 C ATOM 230 CG GLN A 17 3.648 14.241 -5.582 1.00 0.00 C ATOM 231 CD GLN A 17 2.736 15.328 -6.116 1.00 0.00 C ATOM 232 OE1 GLN A 17 1.892 15.079 -6.978 1.00 0.00 O ATOM 233 NE2 GLN A 17 2.900 16.542 -5.606 1.00 0.00 N ATOM 0 H GLN A 17 2.418 11.598 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 17 3.507 11.558 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.924 13.425 -4.612 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.195 13.926 -3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.568 14.693 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.926 13.573 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.612 16.704 -4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.314 17.313 -5.927 1.00 0.00 H new ATOM 242 N ALA A 18 5.808 11.241 -4.543 1.00 0.00 N ATOM 243 CA ALA A 18 7.204 11.135 -4.135 1.00 0.00 C ATOM 244 C ALA A 18 8.017 12.318 -4.649 1.00 0.00 C ATOM 245 O ALA A 18 8.067 12.572 -5.853 1.00 0.00 O ATOM 246 CB ALA A 18 7.801 9.827 -4.631 1.00 0.00 C ATOM 0 H ALA A 18 5.575 10.721 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 18 7.240 11.148 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.843 9.761 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.243 8.990 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.745 9.791 -5.719 1.00 0.00 H new ATOM 252 N GLN A 19 8.651 13.039 -3.730 1.00 0.00 N ATOM 253 CA GLN A 19 9.460 14.197 -4.092 1.00 0.00 C ATOM 254 C GLN A 19 10.895 13.782 -4.401 1.00 0.00 C ATOM 255 O GLN A 19 11.559 14.388 -5.242 1.00 0.00 O ATOM 256 CB GLN A 19 9.447 15.228 -2.962 1.00 0.00 C ATOM 257 CG GLN A 19 9.602 16.661 -3.445 1.00 0.00 C ATOM 258 CD GLN A 19 10.914 16.894 -4.169 1.00 0.00 C ATOM 259 OE1 GLN A 19 11.990 16.772 -3.583 1.00 0.00 O ATOM 260 NE2 GLN A 19 10.831 17.232 -5.450 1.00 0.00 N ATOM 0 H GLN A 19 8.620 12.842 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 19 9.029 14.645 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.511 15.138 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.252 15.000 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.775 16.907 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.537 17.337 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.918 17.322 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.680 17.402 -5.989 1.00 0.00 H new ATOM 269 N SER A 20 11.367 12.746 -3.716 1.00 0.00 N ATOM 270 CA SER A 20 12.725 12.253 -3.915 1.00 0.00 C ATOM 271 C SER A 20 12.775 11.246 -5.060 1.00 0.00 C ATOM 272 O SER A 20 11.773 10.632 -5.425 1.00 0.00 O ATOM 273 CB SER A 20 13.249 11.607 -2.630 1.00 0.00 C ATOM 274 OG SER A 20 13.724 12.588 -1.724 1.00 0.00 O ATOM 0 H SER A 20 10.829 12.232 -3.018 1.00 0.00 H new ATOM 0 HA SER A 20 13.359 13.101 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.454 11.028 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.052 10.910 -2.871 1.00 0.00 H new ATOM 0 HG SER A 20 14.052 12.151 -0.911 1.00 0.00 H new ATOM 280 N PRO A 21 13.971 11.073 -5.642 1.00 0.00 N ATOM 281 CA PRO A 21 14.183 10.142 -6.755 1.00 0.00 C ATOM 282 C PRO A 21 14.074 8.685 -6.320 1.00 0.00 C ATOM 283 O PRO A 21 13.671 7.822 -7.100 1.00 0.00 O ATOM 284 CB PRO A 21 15.608 10.458 -7.215 1.00 0.00 C ATOM 285 CG PRO A 21 16.277 11.029 -6.013 1.00 0.00 C ATOM 286 CD PRO A 21 15.209 11.772 -5.259 1.00 0.00 C ATOM 0 HA PRO A 21 13.432 10.262 -7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.119 9.561 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.609 11.167 -8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.713 10.242 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.089 11.697 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.376 11.733 -4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.179 12.825 -5.539 1.00 0.00 H new ATOM 294 N LYS A 22 14.436 8.417 -5.070 1.00 0.00 N ATOM 295 CA LYS A 22 14.378 7.064 -4.529 1.00 0.00 C ATOM 296 C LYS A 22 12.933 6.634 -4.294 1.00 0.00 C ATOM 297 O LYS A 22 12.584 5.469 -4.485 1.00 0.00 O ATOM 298 CB LYS A 22 15.165 6.982 -3.220 1.00 0.00 C ATOM 299 CG LYS A 22 16.669 7.083 -3.407 1.00 0.00 C ATOM 300 CD LYS A 22 17.418 6.581 -2.184 1.00 0.00 C ATOM 301 CE LYS A 22 17.414 5.062 -2.112 1.00 0.00 C ATOM 302 NZ LYS A 22 17.799 4.569 -0.761 1.00 0.00 N ATOM 0 H LYS A 22 14.773 9.120 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 22 14.826 6.388 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.835 7.782 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.931 6.040 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.968 6.504 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.943 8.120 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.446 6.942 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.961 6.990 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.422 4.689 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.104 4.662 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.784 3.529 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.756 4.903 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.126 4.930 -0.055 1.00 0.00 H new ATOM 316 N GLU A 23 12.098 7.582 -3.880 1.00 0.00 N ATOM 317 CA GLU A 23 10.691 7.299 -3.620 1.00 0.00 C ATOM 318 C GLU A 23 9.938 7.042 -4.922 1.00 0.00 C ATOM 319 O GLU A 23 10.276 7.597 -5.968 1.00 0.00 O ATOM 320 CB GLU A 23 10.045 8.463 -2.866 1.00 0.00 C ATOM 321 CG GLU A 23 10.314 8.444 -1.370 1.00 0.00 C ATOM 322 CD GLU A 23 9.854 9.713 -0.679 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.747 10.194 -0.998 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.602 10.225 0.181 1.00 0.00 O ATOM 0 H GLU A 23 12.371 8.551 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 23 10.635 6.401 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.412 9.402 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.968 8.440 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.808 7.588 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.382 8.308 -1.198 1.00 0.00 H new ATOM 331 N LEU A 24 8.917 6.196 -4.850 1.00 0.00 N ATOM 332 CA LEU A 24 8.115 5.863 -6.022 1.00 0.00 C ATOM 333 C LEU A 24 6.824 6.676 -6.048 1.00 0.00 C ATOM 334 O LEU A 24 6.243 6.972 -5.004 1.00 0.00 O ATOM 335 CB LEU A 24 7.790 4.368 -6.035 1.00 0.00 C ATOM 336 CG LEU A 24 8.796 3.469 -6.753 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.648 2.027 -6.291 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.620 3.568 -8.261 1.00 0.00 C ATOM 0 H LEU A 24 8.625 5.728 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 24 8.696 6.110 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.700 4.027 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.814 4.233 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 24 9.801 3.809 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.372 1.402 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.826 1.969 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.640 1.676 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.345 2.921 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.611 3.255 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.778 4.599 -8.579 1.00 0.00 H new ATOM 350 N THR A 25 6.380 7.033 -7.249 1.00 0.00 N ATOM 351 CA THR A 25 5.158 7.811 -7.411 1.00 0.00 C ATOM 352 C THR A 25 3.973 6.910 -7.739 1.00 0.00 C ATOM 353 O THR A 25 3.938 6.271 -8.791 1.00 0.00 O ATOM 354 CB THR A 25 5.307 8.867 -8.522 1.00 0.00 C ATOM 355 OG1 THR A 25 6.414 9.728 -8.233 1.00 0.00 O ATOM 356 CG2 THR A 25 4.038 9.694 -8.658 1.00 0.00 C ATOM 0 H THR A 25 6.848 6.796 -8.124 1.00 0.00 H new ATOM 0 HA THR A 25 4.977 8.316 -6.462 1.00 0.00 H new ATOM 0 HB THR A 25 5.486 8.348 -9.464 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.504 10.396 -8.945 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.168 10.433 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.202 9.040 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.833 10.203 -7.716 1.00 0.00 H new ATOM 364 N LEU A 26 3.002 6.863 -6.832 1.00 0.00 N ATOM 365 CA LEU A 26 1.813 6.041 -7.026 1.00 0.00 C ATOM 366 C LEU A 26 0.544 6.854 -6.792 1.00 0.00 C ATOM 367 O LEU A 26 0.557 7.845 -6.063 1.00 0.00 O ATOM 368 CB LEU A 26 1.843 4.838 -6.081 1.00 0.00 C ATOM 369 CG LEU A 26 3.147 4.039 -6.051 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.326 3.361 -4.702 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.169 3.012 -7.174 1.00 0.00 C ATOM 0 H LEU A 26 3.015 7.385 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 26 1.810 5.687 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.633 5.190 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.033 4.163 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 26 3.977 4.729 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.259 2.797 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.356 4.116 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.492 2.683 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.104 2.453 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.331 2.325 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.088 3.521 -8.134 1.00 0.00 H new ATOM 383 N GLN A 27 -0.549 6.426 -7.415 1.00 0.00 N ATOM 384 CA GLN A 27 -1.827 7.115 -7.273 1.00 0.00 C ATOM 385 C GLN A 27 -2.797 6.294 -6.430 1.00 0.00 C ATOM 386 O GLN A 27 -2.520 5.143 -6.089 1.00 0.00 O ATOM 387 CB GLN A 27 -2.436 7.392 -8.648 1.00 0.00 C ATOM 388 CG GLN A 27 -2.785 6.133 -9.424 1.00 0.00 C ATOM 389 CD GLN A 27 -3.570 6.425 -10.688 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.171 7.257 -11.503 1.00 0.00 O ATOM 391 NE2 GLN A 27 -4.695 5.739 -10.858 1.00 0.00 N ATOM 0 H GLN A 27 -0.576 5.607 -8.022 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.646 8.063 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.337 7.993 -8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.735 7.987 -9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.867 5.605 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.366 5.467 -8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.988 5.059 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.265 5.893 -11.690 1.00 0.00 H new ATOM 400 N LYS A 28 -3.936 6.892 -6.097 1.00 0.00 N ATOM 401 CA LYS A 28 -4.949 6.216 -5.295 1.00 0.00 C ATOM 402 C LYS A 28 -5.486 4.986 -6.019 1.00 0.00 C ATOM 403 O LYS A 28 -5.943 5.075 -7.158 1.00 0.00 O ATOM 404 CB LYS A 28 -6.098 7.175 -4.975 1.00 0.00 C ATOM 405 CG LYS A 28 -7.246 6.520 -4.225 1.00 0.00 C ATOM 406 CD LYS A 28 -8.521 7.339 -4.333 1.00 0.00 C ATOM 407 CE LYS A 28 -9.671 6.680 -3.586 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.541 6.844 -2.112 1.00 0.00 N ATOM 0 H LYS A 28 -4.181 7.844 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.483 5.892 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.713 8.004 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.477 7.598 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.419 5.521 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.976 6.402 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.349 8.337 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.789 7.460 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.615 7.113 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.703 5.619 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.343 6.381 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.652 6.409 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.536 7.856 -1.874 1.00 0.00 H new ATOM 422 N GLY A 29 -5.428 3.838 -5.351 1.00 0.00 N ATOM 423 CA GLY A 29 -5.914 2.607 -5.947 1.00 0.00 C ATOM 424 C GLY A 29 -4.919 2.002 -6.917 1.00 0.00 C ATOM 425 O GLY A 29 -5.245 1.760 -8.080 1.00 0.00 O ATOM 0 H GLY A 29 -5.053 3.738 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.133 1.887 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.851 2.804 -6.468 1.00 0.00 H new ATOM 429 N ASP A 30 -3.704 1.758 -6.441 1.00 0.00 N ATOM 430 CA ASP A 30 -2.658 1.177 -7.276 1.00 0.00 C ATOM 431 C ASP A 30 -2.137 -0.122 -6.669 1.00 0.00 C ATOM 432 O ASP A 30 -1.889 -0.200 -5.466 1.00 0.00 O ATOM 433 CB ASP A 30 -1.507 2.170 -7.452 1.00 0.00 C ATOM 434 CG ASP A 30 -0.497 1.707 -8.484 1.00 0.00 C ATOM 435 OD1 ASP A 30 0.400 0.916 -8.124 1.00 0.00 O ATOM 436 OD2 ASP A 30 -0.604 2.136 -9.652 1.00 0.00 O ATOM 0 H ASP A 30 -3.418 1.953 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.088 0.954 -8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.909 3.139 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.005 2.314 -6.495 1.00 0.00 H new ATOM 441 N ILE A 31 -1.975 -1.138 -7.510 1.00 0.00 N ATOM 442 CA ILE A 31 -1.484 -2.433 -7.056 1.00 0.00 C ATOM 443 C ILE A 31 0.024 -2.548 -7.250 1.00 0.00 C ATOM 444 O ILE A 31 0.563 -2.122 -8.272 1.00 0.00 O ATOM 445 CB ILE A 31 -2.176 -3.590 -7.801 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.685 -3.557 -7.549 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.590 -4.925 -7.367 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.051 -3.365 -6.094 1.00 0.00 C ATOM 0 H ILE A 31 -2.176 -1.089 -8.509 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.718 -2.504 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.002 -3.470 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.125 -2.751 -8.135 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.125 -4.488 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.089 -5.733 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.524 -4.945 -7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.736 -5.055 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.136 -3.351 -5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.640 -4.185 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.641 -2.420 -5.737 1.00 0.00 H new ATOM 460 N VAL A 32 0.700 -3.129 -6.264 1.00 0.00 N ATOM 461 CA VAL A 32 2.146 -3.304 -6.327 1.00 0.00 C ATOM 462 C VAL A 32 2.577 -4.582 -5.618 1.00 0.00 C ATOM 463 O VAL A 32 1.803 -5.181 -4.871 1.00 0.00 O ATOM 464 CB VAL A 32 2.884 -2.107 -5.698 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.464 -0.808 -6.369 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.626 -2.050 -4.200 1.00 0.00 C ATOM 0 H VAL A 32 0.269 -3.487 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 32 2.411 -3.371 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 32 3.955 -2.239 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.996 0.026 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.705 -0.853 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.390 -0.665 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.155 -1.198 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.557 -1.941 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.981 -2.969 -3.734 1.00 0.00 H new ATOM 476 N TYR A 33 3.816 -4.995 -5.856 1.00 0.00 N ATOM 477 CA TYR A 33 4.351 -6.205 -5.241 1.00 0.00 C ATOM 478 C TYR A 33 5.425 -5.864 -4.213 1.00 0.00 C ATOM 479 O TYR A 33 6.285 -5.017 -4.455 1.00 0.00 O ATOM 480 CB TYR A 33 4.928 -7.133 -6.310 1.00 0.00 C ATOM 481 CG TYR A 33 4.054 -7.262 -7.537 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.860 -7.972 -7.492 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.421 -6.674 -8.741 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.058 -8.093 -8.610 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.624 -6.789 -9.864 1.00 0.00 C ATOM 486 CZ TYR A 33 2.444 -7.500 -9.794 1.00 0.00 C ATOM 487 OH TYR A 33 1.649 -7.617 -10.910 1.00 0.00 O ATOM 0 H TYR A 33 4.470 -4.510 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 33 3.534 -6.715 -4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.908 -6.762 -6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.080 -8.122 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.554 -8.437 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.345 -6.118 -8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.134 -8.649 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.923 -6.325 -10.792 1.00 0.00 H new ATOM 0 HH TYR A 33 2.064 -7.141 -11.659 1.00 0.00 H new ATOM 497 N ILE A 34 5.369 -6.531 -3.065 1.00 0.00 N ATOM 498 CA ILE A 34 6.337 -6.301 -2.000 1.00 0.00 C ATOM 499 C ILE A 34 7.419 -7.376 -2.000 1.00 0.00 C ATOM 500 O ILE A 34 7.163 -8.531 -1.659 1.00 0.00 O ATOM 501 CB ILE A 34 5.658 -6.272 -0.618 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.620 -5.150 -0.559 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.698 -6.098 0.479 1.00 0.00 C ATOM 504 CD1 ILE A 34 5.205 -3.773 -0.779 1.00 0.00 C ATOM 0 H ILE A 34 4.663 -7.235 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 34 6.793 -5.330 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 34 5.147 -7.222 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.854 -5.335 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.125 -5.175 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.203 -6.079 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.403 -6.929 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.234 -5.161 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.412 -3.028 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.951 -3.567 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.675 -3.730 -1.761 1.00 0.00 H new ATOM 516 N HIS A 35 8.632 -6.987 -2.383 1.00 0.00 N ATOM 517 CA HIS A 35 9.755 -7.916 -2.425 1.00 0.00 C ATOM 518 C HIS A 35 10.480 -7.953 -1.084 1.00 0.00 C ATOM 519 O HIS A 35 10.920 -9.011 -0.632 1.00 0.00 O ATOM 520 CB HIS A 35 10.730 -7.521 -3.535 1.00 0.00 C ATOM 521 CG HIS A 35 11.727 -8.589 -3.865 1.00 0.00 C ATOM 522 ND1 HIS A 35 11.671 -9.339 -5.020 1.00 0.00 N ATOM 523 CD2 HIS A 35 12.810 -9.030 -3.183 1.00 0.00 C ATOM 524 CE1 HIS A 35 12.676 -10.197 -5.035 1.00 0.00 C ATOM 525 NE2 HIS A 35 13.382 -10.029 -3.931 1.00 0.00 N ATOM 0 H HIS A 35 8.861 -6.035 -2.668 1.00 0.00 H new ATOM 0 HA HIS A 35 9.363 -8.912 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.164 -7.274 -4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.263 -6.618 -3.235 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.159 -8.664 -2.229 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.885 -10.913 -5.816 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.217 -10.556 -3.676 1.00 0.00 H new ATOM 533 N LYS A 36 10.602 -6.791 -0.451 1.00 0.00 N ATOM 534 CA LYS A 36 11.274 -6.689 0.840 1.00 0.00 C ATOM 535 C LYS A 36 10.717 -5.524 1.652 1.00 0.00 C ATOM 536 O LYS A 36 9.845 -4.792 1.186 1.00 0.00 O ATOM 537 CB LYS A 36 12.781 -6.512 0.641 1.00 0.00 C ATOM 538 CG LYS A 36 13.142 -5.359 -0.279 1.00 0.00 C ATOM 539 CD LYS A 36 14.479 -5.589 -0.964 1.00 0.00 C ATOM 540 CE LYS A 36 15.128 -4.276 -1.373 1.00 0.00 C ATOM 541 NZ LYS A 36 16.242 -4.486 -2.339 1.00 0.00 N ATOM 0 H LYS A 36 10.244 -5.906 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 36 11.093 -7.612 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.251 -6.352 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.196 -7.434 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.363 -5.235 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.181 -4.433 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.145 -6.132 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.335 -6.215 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.378 -3.624 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.507 -3.766 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.659 -3.568 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.970 -5.088 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.876 -4.949 -3.195 1.00 0.00 H new ATOM 555 N GLU A 37 11.228 -5.360 2.868 1.00 0.00 N ATOM 556 CA GLU A 37 10.780 -4.283 3.744 1.00 0.00 C ATOM 557 C GLU A 37 11.948 -3.384 4.142 1.00 0.00 C ATOM 558 O GLU A 37 12.946 -3.851 4.692 1.00 0.00 O ATOM 559 CB GLU A 37 10.115 -4.857 4.997 1.00 0.00 C ATOM 560 CG GLU A 37 9.286 -3.842 5.765 1.00 0.00 C ATOM 561 CD GLU A 37 8.861 -4.349 7.130 1.00 0.00 C ATOM 562 OE1 GLU A 37 8.100 -5.337 7.186 1.00 0.00 O ATOM 563 OE2 GLU A 37 9.292 -3.757 8.142 1.00 0.00 O ATOM 0 H GLU A 37 11.951 -5.958 3.269 1.00 0.00 H new ATOM 0 HA GLU A 37 10.052 -3.684 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.476 -5.692 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.885 -5.258 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.862 -2.925 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.400 -3.588 5.184 1.00 0.00 H new ATOM 570 N VAL A 38 11.816 -2.092 3.858 1.00 0.00 N ATOM 571 CA VAL A 38 12.859 -1.128 4.186 1.00 0.00 C ATOM 572 C VAL A 38 12.920 -0.873 5.688 1.00 0.00 C ATOM 573 O VAL A 38 13.907 -1.208 6.344 1.00 0.00 O ATOM 574 CB VAL A 38 12.634 0.211 3.458 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.629 1.255 3.940 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.733 0.022 1.952 1.00 0.00 C ATOM 0 H VAL A 38 10.997 -1.689 3.402 1.00 0.00 H new ATOM 0 HA VAL A 38 13.804 -1.559 3.855 1.00 0.00 H new ATOM 0 HB VAL A 38 11.630 0.567 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.454 2.194 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.503 1.410 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.644 0.910 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.571 0.978 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.723 -0.357 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.976 -0.690 1.624 1.00 0.00 H new ATOM 586 N ASP A 39 11.860 -0.280 6.225 1.00 0.00 N ATOM 587 CA ASP A 39 11.792 0.018 7.651 1.00 0.00 C ATOM 588 C ASP A 39 10.495 -0.511 8.256 1.00 0.00 C ATOM 589 O ASP A 39 9.611 -0.982 7.540 1.00 0.00 O ATOM 590 CB ASP A 39 11.900 1.526 7.884 1.00 0.00 C ATOM 591 CG ASP A 39 12.981 2.167 7.037 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.099 1.612 6.980 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.710 3.223 6.429 1.00 0.00 O ATOM 0 H ASP A 39 11.036 0.004 5.695 1.00 0.00 H new ATOM 0 HA ASP A 39 12.629 -0.479 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.942 1.995 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.109 1.714 8.937 1.00 0.00 H new ATOM 598 N LYS A 40 10.389 -0.432 9.578 1.00 0.00 N ATOM 599 CA LYS A 40 9.201 -0.902 10.280 1.00 0.00 C ATOM 600 C LYS A 40 7.934 -0.337 9.645 1.00 0.00 C ATOM 601 O LYS A 40 6.877 -0.964 9.685 1.00 0.00 O ATOM 602 CB LYS A 40 9.265 -0.504 11.756 1.00 0.00 C ATOM 603 CG LYS A 40 8.177 -1.138 12.605 1.00 0.00 C ATOM 604 CD LYS A 40 8.469 -0.990 14.089 1.00 0.00 C ATOM 605 CE LYS A 40 7.619 -1.937 14.922 1.00 0.00 C ATOM 606 NZ LYS A 40 8.183 -2.133 16.286 1.00 0.00 N ATOM 0 H LYS A 40 11.112 -0.047 10.185 1.00 0.00 H new ATOM 0 HA LYS A 40 9.171 -1.989 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.238 -0.786 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.190 0.581 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.218 -0.674 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.089 -2.195 12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.525 -1.188 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.279 0.038 14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.606 -1.542 15.001 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.547 -2.900 14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.575 -2.785 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.140 -2.534 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.228 -1.218 16.778 1.00 0.00 H new ATOM 620 N ASN A 41 8.050 0.849 9.058 1.00 0.00 N ATOM 621 CA ASN A 41 6.914 1.498 8.413 1.00 0.00 C ATOM 622 C ASN A 41 7.157 1.658 6.916 1.00 0.00 C ATOM 623 O ASN A 41 6.215 1.713 6.126 1.00 0.00 O ATOM 624 CB ASN A 41 6.653 2.865 9.048 1.00 0.00 C ATOM 625 CG ASN A 41 5.687 2.785 10.215 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.501 3.087 10.075 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.191 2.377 11.373 1.00 0.00 N ATOM 0 H ASN A 41 8.919 1.381 9.015 1.00 0.00 H new ATOM 0 HA ASN A 41 6.038 0.866 8.555 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.597 3.290 9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.252 3.542 8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.589 2.303 12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.180 2.137 11.443 1.00 0.00 H new ATOM 634 N TRP A 42 8.427 1.733 6.533 1.00 0.00 N ATOM 635 CA TRP A 42 8.794 1.887 5.130 1.00 0.00 C ATOM 636 C TRP A 42 8.873 0.531 4.436 1.00 0.00 C ATOM 637 O TRP A 42 9.489 -0.405 4.948 1.00 0.00 O ATOM 638 CB TRP A 42 10.134 2.614 5.009 1.00 0.00 C ATOM 639 CG TRP A 42 10.066 4.057 5.409 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.332 4.579 6.642 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.705 5.161 4.572 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.159 5.942 6.623 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.775 6.324 5.365 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.331 5.282 3.231 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.484 7.588 4.858 1.00 0.00 C ATOM 646 CZ3 TRP A 42 9.042 6.537 2.730 1.00 0.00 C ATOM 647 CH2 TRP A 42 9.121 7.677 3.542 1.00 0.00 C ATOM 0 H TRP A 42 9.219 1.690 7.174 1.00 0.00 H new ATOM 0 HA TRP A 42 8.021 2.480 4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.872 2.107 5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.484 2.546 3.979 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.634 4.005 7.506 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.295 6.568 7.417 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.269 4.410 2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.543 8.467 5.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.750 6.641 1.695 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.891 8.644 3.120 1.00 0.00 H new ATOM 658 N LEU A 43 8.246 0.432 3.269 1.00 0.00 N ATOM 659 CA LEU A 43 8.246 -0.811 2.504 1.00 0.00 C ATOM 660 C LEU A 43 9.163 -0.703 1.291 1.00 0.00 C ATOM 661 O LEU A 43 9.704 0.364 1.003 1.00 0.00 O ATOM 662 CB LEU A 43 6.825 -1.155 2.055 1.00 0.00 C ATOM 663 CG LEU A 43 5.775 -1.251 3.163 1.00 0.00 C ATOM 664 CD1 LEU A 43 6.064 -2.436 4.071 1.00 0.00 C ATOM 665 CD2 LEU A 43 5.728 0.041 3.966 1.00 0.00 C ATOM 0 H LEU A 43 7.731 1.196 2.832 1.00 0.00 H new ATOM 0 HA LEU A 43 8.620 -1.607 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.500 -0.401 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.853 -2.107 1.525 1.00 0.00 H new ATOM 0 HG LEU A 43 4.800 -1.404 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.307 -2.488 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.046 -3.356 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.047 -2.315 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.976 -0.045 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.703 0.225 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.472 0.870 3.307 1.00 0.00 H new ATOM 677 N GLU A 44 9.332 -1.816 0.582 1.00 0.00 N ATOM 678 CA GLU A 44 10.183 -1.845 -0.601 1.00 0.00 C ATOM 679 C GLU A 44 9.551 -2.689 -1.705 1.00 0.00 C ATOM 680 O GLU A 44 9.038 -3.778 -1.452 1.00 0.00 O ATOM 681 CB GLU A 44 11.565 -2.399 -0.249 1.00 0.00 C ATOM 682 CG GLU A 44 12.685 -1.825 -1.100 1.00 0.00 C ATOM 683 CD GLU A 44 14.014 -1.790 -0.369 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.148 -2.500 0.650 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.918 -1.053 -0.814 1.00 0.00 O ATOM 0 H GLU A 44 8.891 -2.708 0.807 1.00 0.00 H new ATOM 0 HA GLU A 44 10.291 -0.823 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.774 -2.191 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.552 -3.483 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.789 -2.421 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.419 -0.815 -1.411 1.00 0.00 H new ATOM 692 N GLY A 45 9.591 -2.175 -2.931 1.00 0.00 N ATOM 693 CA GLY A 45 9.019 -2.893 -4.055 1.00 0.00 C ATOM 694 C GLY A 45 9.293 -2.209 -5.380 1.00 0.00 C ATOM 695 O GLY A 45 9.925 -1.154 -5.421 1.00 0.00 O ATOM 0 H GLY A 45 10.009 -1.275 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.425 -3.904 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.942 -2.985 -3.913 1.00 0.00 H new ATOM 699 N GLU A 46 8.816 -2.811 -6.465 1.00 0.00 N ATOM 700 CA GLU A 46 9.016 -2.254 -7.797 1.00 0.00 C ATOM 701 C GLU A 46 7.679 -1.926 -8.455 1.00 0.00 C ATOM 702 O GLU A 46 6.659 -2.549 -8.159 1.00 0.00 O ATOM 703 CB GLU A 46 9.801 -3.233 -8.672 1.00 0.00 C ATOM 704 CG GLU A 46 9.004 -4.463 -9.074 1.00 0.00 C ATOM 705 CD GLU A 46 8.746 -5.398 -7.909 1.00 0.00 C ATOM 706 OE1 GLU A 46 9.720 -5.768 -7.219 1.00 0.00 O ATOM 707 OE2 GLU A 46 7.572 -5.760 -7.686 1.00 0.00 O ATOM 0 H GLU A 46 8.289 -3.684 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 46 9.588 -1.332 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.134 -2.716 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.696 -3.549 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.051 -4.150 -9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.542 -5.001 -9.854 1.00 0.00 H new ATOM 798 N GLY A 52 11.811 1.863 -5.753 1.00 0.00 N ATOM 799 CA GLY A 52 11.856 2.932 -4.773 1.00 0.00 C ATOM 800 C GLY A 52 11.366 2.488 -3.409 1.00 0.00 C ATOM 801 O GLY A 52 11.462 1.311 -3.060 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.879 3.299 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.246 3.766 -5.121 1.00 0.00 H new ATOM 805 N ILE A 53 10.840 3.431 -2.635 1.00 0.00 N ATOM 806 CA ILE A 53 10.334 3.131 -1.301 1.00 0.00 C ATOM 807 C ILE A 53 9.127 4.000 -0.963 1.00 0.00 C ATOM 808 O ILE A 53 9.042 5.154 -1.384 1.00 0.00 O ATOM 809 CB ILE A 53 11.419 3.337 -0.228 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.932 4.778 -0.260 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.563 2.357 -0.436 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.721 5.166 0.970 1.00 0.00 C ATOM 0 H ILE A 53 10.753 4.410 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 53 10.034 2.083 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 53 10.980 3.149 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.559 4.912 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.084 5.455 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.322 2.515 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.185 1.337 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.003 2.515 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.053 6.200 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.091 5.064 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.589 4.514 1.066 1.00 0.00 H new ATOM 824 N PHE A 54 8.197 3.439 -0.197 1.00 0.00 N ATOM 825 CA PHE A 54 6.995 4.163 0.200 1.00 0.00 C ATOM 826 C PHE A 54 6.638 3.869 1.654 1.00 0.00 C ATOM 827 O PHE A 54 6.896 2.784 2.176 1.00 0.00 O ATOM 828 CB PHE A 54 5.824 3.788 -0.710 1.00 0.00 C ATOM 829 CG PHE A 54 5.694 2.309 -0.941 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.981 1.516 -0.056 1.00 0.00 C ATOM 831 CD2 PHE A 54 6.285 1.712 -2.042 1.00 0.00 C ATOM 832 CE1 PHE A 54 4.860 0.156 -0.265 1.00 0.00 C ATOM 833 CE2 PHE A 54 6.167 0.352 -2.257 1.00 0.00 C ATOM 834 CZ PHE A 54 5.454 -0.428 -1.367 1.00 0.00 C ATOM 0 H PHE A 54 8.253 2.486 0.161 1.00 0.00 H new ATOM 0 HA PHE A 54 7.195 5.230 0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.899 4.162 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.946 4.288 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.514 1.967 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.845 2.316 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.301 -0.450 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.632 -0.101 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.361 -1.491 -1.532 1.00 0.00 H new ATOM 844 N PRO A 55 6.032 4.858 2.326 1.00 0.00 N ATOM 845 CA PRO A 55 5.626 4.731 3.729 1.00 0.00 C ATOM 846 C PRO A 55 4.462 3.762 3.910 1.00 0.00 C ATOM 847 O PRO A 55 3.652 3.574 3.003 1.00 0.00 O ATOM 848 CB PRO A 55 5.202 6.152 4.107 1.00 0.00 C ATOM 849 CG PRO A 55 4.804 6.784 2.818 1.00 0.00 C ATOM 850 CD PRO A 55 5.694 6.179 1.767 1.00 0.00 C ATOM 0 HA PRO A 55 6.428 4.332 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.374 6.143 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.020 6.697 4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.754 6.592 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.929 7.866 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.182 6.091 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.585 6.784 1.598 1.00 0.00 H new ATOM 858 N ALA A 56 4.386 3.150 5.087 1.00 0.00 N ATOM 859 CA ALA A 56 3.320 2.202 5.387 1.00 0.00 C ATOM 860 C ALA A 56 1.993 2.921 5.609 1.00 0.00 C ATOM 861 O ALA A 56 0.941 2.447 5.184 1.00 0.00 O ATOM 862 CB ALA A 56 3.682 1.370 6.608 1.00 0.00 C ATOM 0 H ALA A 56 5.050 3.294 5.848 1.00 0.00 H new ATOM 0 HA ALA A 56 3.205 1.538 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.877 0.666 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.603 0.820 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.826 2.027 7.466 1.00 0.00 H new ATOM 868 N ASN A 57 2.051 4.068 6.279 1.00 0.00 N ATOM 869 CA ASN A 57 0.854 4.852 6.558 1.00 0.00 C ATOM 870 C ASN A 57 0.096 5.166 5.271 1.00 0.00 C ATOM 871 O ASN A 57 -1.079 5.530 5.304 1.00 0.00 O ATOM 872 CB ASN A 57 1.225 6.152 7.274 1.00 0.00 C ATOM 873 CG ASN A 57 1.727 7.216 6.318 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.909 7.250 5.976 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.829 8.091 5.882 1.00 0.00 N ATOM 0 H ASN A 57 2.915 4.475 6.639 1.00 0.00 H new ATOM 0 HA ASN A 57 0.206 4.261 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.354 6.530 7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.993 5.946 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.108 8.830 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.140 8.024 6.192 1.00 0.00 H new ATOM 882 N TYR A 58 0.778 5.021 4.140 1.00 0.00 N ATOM 883 CA TYR A 58 0.171 5.291 2.842 1.00 0.00 C ATOM 884 C TYR A 58 -0.423 4.019 2.244 1.00 0.00 C ATOM 885 O TYR A 58 -1.265 4.075 1.348 1.00 0.00 O ATOM 886 CB TYR A 58 1.206 5.883 1.885 1.00 0.00 C ATOM 887 CG TYR A 58 1.314 7.389 1.965 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.964 8.002 3.030 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.766 8.199 0.979 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.065 9.378 3.108 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.863 9.575 1.048 1.00 0.00 C ATOM 892 CZ TYR A 58 1.513 10.160 2.115 1.00 0.00 C ATOM 893 OH TYR A 58 1.611 11.530 2.189 1.00 0.00 O ATOM 0 H TYR A 58 1.751 4.718 4.096 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.633 6.012 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.181 5.445 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.949 5.599 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.397 7.393 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.255 7.745 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.573 9.839 3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.432 10.189 0.271 1.00 0.00 H new ATOM 0 HH TYR A 58 1.171 11.932 1.411 1.00 0.00 H new ATOM 903 N VAL A 59 0.022 2.872 2.748 1.00 0.00 N ATOM 904 CA VAL A 59 -0.466 1.586 2.266 1.00 0.00 C ATOM 905 C VAL A 59 -1.101 0.781 3.394 1.00 0.00 C ATOM 906 O VAL A 59 -0.559 0.705 4.496 1.00 0.00 O ATOM 907 CB VAL A 59 0.668 0.756 1.634 1.00 0.00 C ATOM 908 CG1 VAL A 59 1.311 1.519 0.485 1.00 0.00 C ATOM 909 CG2 VAL A 59 1.704 0.384 2.684 1.00 0.00 C ATOM 0 H VAL A 59 0.719 2.808 3.490 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.218 1.798 1.506 1.00 0.00 H new ATOM 0 HB VAL A 59 0.243 -0.165 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.110 0.918 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.560 1.730 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.724 2.457 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.498 -0.202 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.127 1.291 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.230 -0.204 3.470 1.00 0.00 H new ATOM 919 N GLU A 60 -2.253 0.181 3.110 1.00 0.00 N ATOM 920 CA GLU A 60 -2.962 -0.618 4.102 1.00 0.00 C ATOM 921 C GLU A 60 -3.308 -1.996 3.545 1.00 0.00 C ATOM 922 O GLU A 60 -4.080 -2.118 2.594 1.00 0.00 O ATOM 923 CB GLU A 60 -4.239 0.098 4.549 1.00 0.00 C ATOM 924 CG GLU A 60 -4.024 1.057 5.708 1.00 0.00 C ATOM 925 CD GLU A 60 -3.140 0.473 6.793 1.00 0.00 C ATOM 926 OE1 GLU A 60 -3.676 -0.203 7.696 1.00 0.00 O ATOM 927 OE2 GLU A 60 -1.912 0.692 6.739 1.00 0.00 O ATOM 0 H GLU A 60 -2.714 0.233 2.202 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.306 -0.747 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.652 0.649 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.981 -0.646 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.574 1.977 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.990 1.325 6.137 1.00 0.00 H new ATOM 934 N VAL A 61 -2.730 -3.032 4.145 1.00 0.00 N ATOM 935 CA VAL A 61 -2.976 -4.402 3.710 1.00 0.00 C ATOM 936 C VAL A 61 -4.466 -4.723 3.724 1.00 0.00 C ATOM 937 O VAL A 61 -5.162 -4.455 4.704 1.00 0.00 O ATOM 938 CB VAL A 61 -2.235 -5.416 4.602 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.535 -6.839 4.156 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.738 -5.147 4.583 1.00 0.00 C ATOM 0 H VAL A 61 -2.088 -2.949 4.933 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.599 -4.483 2.690 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.589 -5.300 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.003 -7.541 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.607 -7.024 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.210 -6.973 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.230 -5.872 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.365 -5.235 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.544 -4.141 4.955 1.00 0.00 H new