USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=5 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=-0.48) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.118 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.133 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 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 132:sc= -1.54 (180deg=-4.47!) 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= -0.269 K(o=-0.27,f=-1!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -1.036 -8.145 -1.580 1.00 0.00 N ATOM 89 CA ALA A 9 -1.397 -7.043 -2.464 1.00 0.00 C ATOM 90 C ALA A 9 -1.999 -5.883 -1.679 1.00 0.00 C ATOM 91 O ALA A 9 -3.017 -6.040 -1.006 1.00 0.00 O ATOM 92 CB ALA A 9 -2.370 -7.521 -3.533 1.00 0.00 C ATOM 0 HA ALA A 9 -0.488 -6.686 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.631 -6.688 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.904 -8.311 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.272 -7.906 -3.058 1.00 0.00 H new ATOM 98 N ALA A 10 -1.363 -4.720 -1.769 1.00 0.00 N ATOM 99 CA ALA A 10 -1.837 -3.534 -1.067 1.00 0.00 C ATOM 100 C ALA A 10 -2.100 -2.389 -2.040 1.00 0.00 C ATOM 101 O ALA A 10 -1.225 -2.011 -2.819 1.00 0.00 O ATOM 102 CB ALA A 10 -0.830 -3.109 -0.009 1.00 0.00 C ATOM 0 H ALA A 10 -0.518 -4.574 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.778 -3.784 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.197 -2.222 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.694 -3.917 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.124 -2.883 -0.485 1.00 0.00 H new ATOM 108 N ARG A 11 -3.311 -1.843 -1.990 1.00 0.00 N ATOM 109 CA ARG A 11 -3.689 -0.742 -2.868 1.00 0.00 C ATOM 110 C ARG A 11 -3.440 0.603 -2.193 1.00 0.00 C ATOM 111 O ARG A 11 -3.662 0.757 -0.991 1.00 0.00 O ATOM 112 CB ARG A 11 -5.162 -0.862 -3.265 1.00 0.00 C ATOM 113 CG ARG A 11 -5.710 0.379 -3.951 1.00 0.00 C ATOM 114 CD ARG A 11 -7.197 0.244 -4.240 1.00 0.00 C ATOM 115 NE ARG A 11 -7.450 -0.482 -5.481 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.609 -1.063 -5.770 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.617 -1.001 -4.911 1.00 0.00 N ATOM 118 NH2 ARG A 11 -8.762 -1.705 -6.920 1.00 0.00 N ATOM 0 H ARG A 11 -4.047 -2.145 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.072 -0.797 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.282 -1.717 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.755 -1.066 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.538 1.251 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.171 0.549 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.682 -0.274 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.646 1.235 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.695 -0.547 -6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.503 -0.506 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.506 -1.448 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.989 -1.753 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.653 -2.151 -7.141 1.00 0.00 H new ATOM 132 N LEU A 12 -2.978 1.574 -2.972 1.00 0.00 N ATOM 133 CA LEU A 12 -2.698 2.907 -2.450 1.00 0.00 C ATOM 134 C LEU A 12 -3.972 3.566 -1.929 1.00 0.00 C ATOM 135 O LEU A 12 -4.825 3.994 -2.707 1.00 0.00 O ATOM 136 CB LEU A 12 -2.066 3.779 -3.536 1.00 0.00 C ATOM 137 CG LEU A 12 -0.539 3.746 -3.619 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.077 4.270 -2.331 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.052 2.334 -3.910 1.00 0.00 C ATOM 0 H LEU A 12 -2.789 1.463 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.998 2.806 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.469 3.472 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.379 4.810 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.224 4.394 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.164 4.239 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.246 5.298 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.245 3.649 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.037 2.329 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.378 1.665 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.466 1.995 -4.860 1.00 0.00 H new ATOM 151 N LYS A 13 -4.093 3.646 -0.609 1.00 0.00 N ATOM 152 CA LYS A 13 -5.260 4.256 0.018 1.00 0.00 C ATOM 153 C LYS A 13 -5.643 5.551 -0.691 1.00 0.00 C ATOM 154 O LYS A 13 -6.819 5.907 -0.763 1.00 0.00 O ATOM 155 CB LYS A 13 -4.983 4.535 1.497 1.00 0.00 C ATOM 156 CG LYS A 13 -5.063 3.297 2.374 1.00 0.00 C ATOM 157 CD LYS A 13 -5.333 3.659 3.825 1.00 0.00 C ATOM 158 CE LYS A 13 -6.782 4.070 4.036 1.00 0.00 C ATOM 159 NZ LYS A 13 -7.001 4.655 5.388 1.00 0.00 N ATOM 0 H LYS A 13 -3.396 3.296 0.049 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.092 3.557 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.991 4.977 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.698 5.274 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.853 2.641 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.129 2.740 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.099 2.807 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.675 4.474 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.068 4.796 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.428 3.202 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.001 4.922 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.752 3.953 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.403 5.498 5.502 1.00 0.00 H new ATOM 173 N PHE A 14 -4.642 6.252 -1.215 1.00 0.00 N ATOM 174 CA PHE A 14 -4.875 7.508 -1.919 1.00 0.00 C ATOM 175 C PHE A 14 -3.681 7.868 -2.798 1.00 0.00 C ATOM 176 O PHE A 14 -2.651 7.194 -2.771 1.00 0.00 O ATOM 177 CB PHE A 14 -5.145 8.635 -0.920 1.00 0.00 C ATOM 178 CG PHE A 14 -6.304 8.360 -0.005 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.606 8.573 -0.432 1.00 0.00 C ATOM 180 CD2 PHE A 14 -6.093 7.889 1.280 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.674 8.322 0.408 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.158 7.635 2.125 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.450 7.851 1.688 1.00 0.00 C ATOM 0 H PHE A 14 -3.663 5.972 -1.165 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.749 7.381 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.250 8.800 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.336 9.558 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.787 8.939 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.085 7.718 1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.683 8.494 0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.979 7.268 3.125 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.284 7.652 2.345 1.00 0.00 H new ATOM 193 N ASP A 15 -3.828 8.933 -3.578 1.00 0.00 N ATOM 194 CA ASP A 15 -2.763 9.384 -4.466 1.00 0.00 C ATOM 195 C ASP A 15 -1.567 9.892 -3.666 1.00 0.00 C ATOM 196 O ASP A 15 -1.656 10.905 -2.972 1.00 0.00 O ATOM 197 CB ASP A 15 -3.276 10.486 -5.394 1.00 0.00 C ATOM 198 CG ASP A 15 -4.226 11.438 -4.694 1.00 0.00 C ATOM 199 OD1 ASP A 15 -4.136 11.560 -3.454 1.00 0.00 O ATOM 200 OD2 ASP A 15 -5.057 12.061 -5.386 1.00 0.00 O ATOM 0 H ASP A 15 -4.675 9.500 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.441 8.534 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.429 11.048 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.783 10.033 -6.246 1.00 0.00 H new ATOM 205 N PHE A 16 -0.449 9.180 -3.766 1.00 0.00 N ATOM 206 CA PHE A 16 0.764 9.557 -3.050 1.00 0.00 C ATOM 207 C PHE A 16 1.739 10.278 -3.976 1.00 0.00 C ATOM 208 O PHE A 16 1.785 10.010 -5.176 1.00 0.00 O ATOM 209 CB PHE A 16 1.433 8.318 -2.450 1.00 0.00 C ATOM 210 CG PHE A 16 2.742 8.612 -1.775 1.00 0.00 C ATOM 211 CD1 PHE A 16 2.860 9.677 -0.897 1.00 0.00 C ATOM 212 CD2 PHE A 16 3.855 7.823 -2.019 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.064 9.950 -0.275 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.061 8.091 -1.400 1.00 0.00 C ATOM 215 CZ PHE A 16 5.166 9.155 -0.526 1.00 0.00 C ATOM 0 H PHE A 16 -0.358 8.339 -4.336 1.00 0.00 H new ATOM 0 HA PHE A 16 0.485 10.236 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.755 7.862 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.597 7.585 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.002 10.301 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.779 6.989 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.143 10.784 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.921 7.469 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.107 9.365 -0.040 1.00 0.00 H new ATOM 225 N GLN A 17 2.517 11.195 -3.408 1.00 0.00 N ATOM 226 CA GLN A 17 3.490 11.956 -4.182 1.00 0.00 C ATOM 227 C GLN A 17 4.853 11.950 -3.498 1.00 0.00 C ATOM 228 O GLN A 17 5.003 12.455 -2.385 1.00 0.00 O ATOM 229 CB GLN A 17 3.008 13.395 -4.373 1.00 0.00 C ATOM 230 CG GLN A 17 3.826 14.181 -5.385 1.00 0.00 C ATOM 231 CD GLN A 17 3.603 15.677 -5.280 1.00 0.00 C ATOM 232 OE1 GLN A 17 2.580 16.129 -4.767 1.00 0.00 O ATOM 233 NE2 GLN A 17 4.563 16.454 -5.768 1.00 0.00 N ATOM 0 H GLN A 17 2.492 11.428 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 17 3.591 11.482 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.966 13.381 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.040 13.911 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.884 13.964 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.569 13.849 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.395 16.036 -6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.469 17.469 -5.726 1.00 0.00 H new ATOM 242 N ALA A 18 5.845 11.376 -4.171 1.00 0.00 N ATOM 243 CA ALA A 18 7.196 11.306 -3.629 1.00 0.00 C ATOM 244 C ALA A 18 7.871 12.673 -3.659 1.00 0.00 C ATOM 245 O ALA A 18 7.901 13.337 -4.695 1.00 0.00 O ATOM 246 CB ALA A 18 8.023 10.290 -4.402 1.00 0.00 C ATOM 0 H ALA A 18 5.738 10.953 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 18 7.127 10.986 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.030 10.248 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.557 9.307 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.075 10.585 -5.450 1.00 0.00 H new ATOM 252 N GLN A 19 8.411 13.087 -2.517 1.00 0.00 N ATOM 253 CA GLN A 19 9.084 14.376 -2.414 1.00 0.00 C ATOM 254 C GLN A 19 10.547 14.261 -2.830 1.00 0.00 C ATOM 255 O GLN A 19 11.154 15.235 -3.276 1.00 0.00 O ATOM 256 CB GLN A 19 8.988 14.912 -0.985 1.00 0.00 C ATOM 257 CG GLN A 19 9.621 13.998 0.052 1.00 0.00 C ATOM 258 CD GLN A 19 10.067 14.744 1.294 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.245 15.156 2.113 1.00 0.00 O ATOM 260 NE2 GLN A 19 11.375 14.922 1.441 1.00 0.00 N ATOM 0 H GLN A 19 8.395 12.549 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 19 8.587 15.072 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.470 15.888 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.938 15.063 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.906 13.225 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.479 13.492 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.021 14.564 0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.734 15.417 2.258 1.00 0.00 H new ATOM 269 N SER A 20 11.108 13.065 -2.680 1.00 0.00 N ATOM 270 CA SER A 20 12.501 12.824 -3.036 1.00 0.00 C ATOM 271 C SER A 20 12.600 12.000 -4.316 1.00 0.00 C ATOM 272 O SER A 20 11.721 11.201 -4.639 1.00 0.00 O ATOM 273 CB SER A 20 13.224 12.105 -1.895 1.00 0.00 C ATOM 274 OG SER A 20 12.842 10.741 -1.829 1.00 0.00 O ATOM 0 H SER A 20 10.619 12.248 -2.314 1.00 0.00 H new ATOM 0 HA SER A 20 12.979 13.789 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.302 12.178 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.996 12.596 -0.949 1.00 0.00 H new ATOM 0 HG SER A 20 13.319 10.303 -1.093 1.00 0.00 H new ATOM 280 N PRO A 21 13.696 12.198 -5.063 1.00 0.00 N ATOM 281 CA PRO A 21 13.937 11.483 -6.319 1.00 0.00 C ATOM 282 C PRO A 21 14.237 10.005 -6.097 1.00 0.00 C ATOM 283 O PRO A 21 14.448 9.253 -7.049 1.00 0.00 O ATOM 284 CB PRO A 21 15.160 12.195 -6.903 1.00 0.00 C ATOM 285 CG PRO A 21 15.861 12.773 -5.723 1.00 0.00 C ATOM 286 CD PRO A 21 14.784 13.136 -4.738 1.00 0.00 C ATOM 0 HA PRO A 21 13.064 11.500 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.802 11.500 -7.444 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.866 12.972 -7.609 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.558 12.054 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.443 13.650 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.123 13.017 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.468 14.173 -4.852 1.00 0.00 H new ATOM 294 N LYS A 22 14.254 9.593 -4.833 1.00 0.00 N ATOM 295 CA LYS A 22 14.527 8.204 -4.484 1.00 0.00 C ATOM 296 C LYS A 22 13.233 7.458 -4.171 1.00 0.00 C ATOM 297 O LYS A 22 13.095 6.277 -4.489 1.00 0.00 O ATOM 298 CB LYS A 22 15.472 8.134 -3.283 1.00 0.00 C ATOM 299 CG LYS A 22 15.435 6.800 -2.557 1.00 0.00 C ATOM 300 CD LYS A 22 16.372 6.791 -1.361 1.00 0.00 C ATOM 301 CE LYS A 22 16.545 5.388 -0.799 1.00 0.00 C ATOM 302 NZ LYS A 22 17.107 5.407 0.580 1.00 0.00 N ATOM 0 H LYS A 22 14.082 10.202 -4.033 1.00 0.00 H new ATOM 0 HA LYS A 22 15.003 7.727 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.490 8.326 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.214 8.927 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.418 6.593 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.714 6.002 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.343 7.188 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.980 7.449 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.581 4.879 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.203 4.814 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.209 4.432 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.038 5.870 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.466 5.932 1.209 1.00 0.00 H new ATOM 316 N GLU A 23 12.289 8.156 -3.548 1.00 0.00 N ATOM 317 CA GLU A 23 11.007 7.558 -3.194 1.00 0.00 C ATOM 318 C GLU A 23 10.212 7.194 -4.445 1.00 0.00 C ATOM 319 O GLU A 23 10.591 7.551 -5.561 1.00 0.00 O ATOM 320 CB GLU A 23 10.195 8.518 -2.322 1.00 0.00 C ATOM 321 CG GLU A 23 10.599 8.500 -0.857 1.00 0.00 C ATOM 322 CD GLU A 23 9.853 9.532 -0.034 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.623 9.655 -0.211 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.499 10.216 0.788 1.00 0.00 O ATOM 0 H GLU A 23 12.387 9.135 -3.278 1.00 0.00 H new ATOM 0 HA GLU A 23 11.204 6.645 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.308 9.531 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.138 8.262 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.413 7.508 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.671 8.682 -0.777 1.00 0.00 H new ATOM 331 N LEU A 24 9.108 6.481 -4.250 1.00 0.00 N ATOM 332 CA LEU A 24 8.259 6.067 -5.361 1.00 0.00 C ATOM 333 C LEU A 24 6.966 6.876 -5.389 1.00 0.00 C ATOM 334 O LEU A 24 6.397 7.195 -4.345 1.00 0.00 O ATOM 335 CB LEU A 24 7.938 4.575 -5.256 1.00 0.00 C ATOM 336 CG LEU A 24 8.922 3.627 -5.943 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.615 2.183 -5.577 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.880 3.817 -7.452 1.00 0.00 C ATOM 0 H LEU A 24 8.780 6.178 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 24 8.802 6.251 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.885 4.309 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.947 4.406 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 24 9.928 3.863 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.325 1.523 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.697 2.056 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.603 1.934 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.586 3.134 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.874 3.608 -7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.149 4.844 -7.697 1.00 0.00 H new ATOM 350 N THR A 25 6.505 7.204 -6.592 1.00 0.00 N ATOM 351 CA THR A 25 5.278 7.974 -6.757 1.00 0.00 C ATOM 352 C THR A 25 4.147 7.100 -7.286 1.00 0.00 C ATOM 353 O THR A 25 4.270 6.481 -8.344 1.00 0.00 O ATOM 354 CB THR A 25 5.486 9.162 -7.715 1.00 0.00 C ATOM 355 OG1 THR A 25 6.636 9.917 -7.319 1.00 0.00 O ATOM 356 CG2 THR A 25 4.262 10.065 -7.731 1.00 0.00 C ATOM 0 H THR A 25 6.963 6.948 -7.467 1.00 0.00 H new ATOM 0 HA THR A 25 5.008 8.354 -5.772 1.00 0.00 H new ATOM 0 HB THR A 25 5.640 8.767 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.761 10.669 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.432 10.897 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.394 9.495 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.081 10.451 -6.728 1.00 0.00 H new ATOM 364 N LEU A 26 3.045 7.055 -6.546 1.00 0.00 N ATOM 365 CA LEU A 26 1.890 6.257 -6.942 1.00 0.00 C ATOM 366 C LEU A 26 0.604 7.070 -6.833 1.00 0.00 C ATOM 367 O LEU A 26 0.587 8.145 -6.235 1.00 0.00 O ATOM 368 CB LEU A 26 1.789 5.003 -6.071 1.00 0.00 C ATOM 369 CG LEU A 26 3.066 4.172 -5.941 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.077 3.414 -4.623 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.198 3.210 -7.113 1.00 0.00 C ATOM 0 H LEU A 26 2.927 7.562 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 26 2.024 5.960 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.471 5.303 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.004 4.365 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 26 3.920 4.849 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.993 2.828 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.030 4.122 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.216 2.748 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.112 2.627 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.339 2.539 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.237 3.775 -8.045 1.00 0.00 H new ATOM 383 N GLN A 27 -0.471 6.547 -7.415 1.00 0.00 N ATOM 384 CA GLN A 27 -1.762 7.224 -7.382 1.00 0.00 C ATOM 385 C GLN A 27 -2.799 6.383 -6.645 1.00 0.00 C ATOM 386 O GLN A 27 -2.565 5.213 -6.343 1.00 0.00 O ATOM 387 CB GLN A 27 -2.244 7.518 -8.804 1.00 0.00 C ATOM 388 CG GLN A 27 -1.392 8.543 -9.535 1.00 0.00 C ATOM 389 CD GLN A 27 -1.615 8.524 -11.035 1.00 0.00 C ATOM 390 OE1 GLN A 27 -1.288 7.547 -11.710 1.00 0.00 O ATOM 391 NE2 GLN A 27 -2.174 9.605 -11.564 1.00 0.00 N ATOM 0 H GLN A 27 -0.473 5.658 -7.914 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.637 8.165 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.251 6.590 -9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.273 7.875 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.617 9.538 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.340 8.351 -9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.429 10.392 -10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.349 9.649 -12.568 1.00 0.00 H new ATOM 400 N LYS A 28 -3.947 6.988 -6.356 1.00 0.00 N ATOM 401 CA LYS A 28 -5.021 6.295 -5.655 1.00 0.00 C ATOM 402 C LYS A 28 -5.566 5.144 -6.494 1.00 0.00 C ATOM 403 O LYS A 28 -6.092 5.354 -7.587 1.00 0.00 O ATOM 404 CB LYS A 28 -6.150 7.272 -5.317 1.00 0.00 C ATOM 405 CG LYS A 28 -7.378 6.602 -4.726 1.00 0.00 C ATOM 406 CD LYS A 28 -8.596 7.508 -4.797 1.00 0.00 C ATOM 407 CE LYS A 28 -9.779 6.911 -4.051 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.539 5.947 -4.894 1.00 0.00 N ATOM 0 H LYS A 28 -4.157 7.957 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.613 5.886 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.777 8.015 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.439 7.808 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.581 5.675 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.183 6.334 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.351 8.482 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.868 7.673 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.424 6.406 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.444 7.711 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.337 5.563 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.900 6.434 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.912 5.170 -5.184 1.00 0.00 H new ATOM 422 N GLY A 29 -5.438 3.927 -5.975 1.00 0.00 N ATOM 423 CA GLY A 29 -5.924 2.761 -6.690 1.00 0.00 C ATOM 424 C GLY A 29 -4.827 2.058 -7.465 1.00 0.00 C ATOM 425 O GLY A 29 -4.966 1.809 -8.663 1.00 0.00 O ATOM 0 H GLY A 29 -5.007 3.727 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.368 2.063 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.714 3.063 -7.377 1.00 0.00 H new ATOM 429 N ASP A 30 -3.734 1.738 -6.781 1.00 0.00 N ATOM 430 CA ASP A 30 -2.608 1.059 -7.413 1.00 0.00 C ATOM 431 C ASP A 30 -2.010 0.013 -6.478 1.00 0.00 C ATOM 432 O ASP A 30 -1.700 0.304 -5.322 1.00 0.00 O ATOM 433 CB ASP A 30 -1.536 2.073 -7.818 1.00 0.00 C ATOM 434 CG ASP A 30 -0.747 1.627 -9.033 1.00 0.00 C ATOM 435 OD1 ASP A 30 -0.119 0.549 -8.970 1.00 0.00 O ATOM 436 OD2 ASP A 30 -0.759 2.355 -10.047 1.00 0.00 O ATOM 0 H ASP A 30 -3.603 1.938 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.975 0.554 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.008 3.033 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.854 2.229 -6.983 1.00 0.00 H new ATOM 441 N ILE A 31 -1.850 -1.205 -6.985 1.00 0.00 N ATOM 442 CA ILE A 31 -1.289 -2.293 -6.195 1.00 0.00 C ATOM 443 C ILE A 31 0.190 -2.492 -6.506 1.00 0.00 C ATOM 444 O ILE A 31 0.598 -2.489 -7.668 1.00 0.00 O ATOM 445 CB ILE A 31 -2.038 -3.615 -6.447 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.509 -3.477 -6.052 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.381 -4.751 -5.675 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.360 -2.815 -7.114 1.00 0.00 C ATOM 0 H ILE A 31 -2.101 -1.463 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.403 -2.014 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.988 -3.847 -7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.914 -4.466 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.577 -2.899 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.921 -5.679 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.346 -4.861 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.404 -4.527 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.391 -2.750 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.980 -1.813 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.323 -3.405 -8.030 1.00 0.00 H new ATOM 460 N VAL A 32 0.991 -2.667 -5.460 1.00 0.00 N ATOM 461 CA VAL A 32 2.426 -2.871 -5.621 1.00 0.00 C ATOM 462 C VAL A 32 2.871 -4.178 -4.974 1.00 0.00 C ATOM 463 O VAL A 32 2.176 -4.728 -4.119 1.00 0.00 O ATOM 464 CB VAL A 32 3.230 -1.708 -5.011 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.803 -0.384 -5.624 1.00 0.00 C ATOM 466 CG2 VAL A 32 3.066 -1.683 -3.498 1.00 0.00 C ATOM 0 H VAL A 32 0.671 -2.672 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 32 2.622 -2.915 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 32 4.285 -1.861 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.382 0.426 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.977 -0.408 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.743 -0.219 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.641 -0.855 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.013 -1.555 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.427 -2.622 -3.077 1.00 0.00 H new ATOM 476 N TYR A 33 4.035 -4.669 -5.386 1.00 0.00 N ATOM 477 CA TYR A 33 4.573 -5.913 -4.848 1.00 0.00 C ATOM 478 C TYR A 33 5.675 -5.634 -3.830 1.00 0.00 C ATOM 479 O TYR A 33 6.670 -4.979 -4.140 1.00 0.00 O ATOM 480 CB TYR A 33 5.117 -6.789 -5.977 1.00 0.00 C ATOM 481 CG TYR A 33 4.128 -7.014 -7.099 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.953 -7.723 -6.883 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.369 -6.518 -8.374 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.046 -7.931 -7.905 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.468 -6.720 -9.401 1.00 0.00 C ATOM 486 CZ TYR A 33 2.308 -7.427 -9.162 1.00 0.00 C ATOM 487 OH TYR A 33 1.409 -7.632 -10.183 1.00 0.00 O ATOM 0 H TYR A 33 4.624 -4.225 -6.091 1.00 0.00 H new ATOM 0 HA TYR A 33 3.763 -6.442 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.016 -6.326 -6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.413 -7.754 -5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.745 -8.118 -5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.277 -5.965 -8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.137 -8.485 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.671 -6.326 -10.386 1.00 0.00 H new ATOM 0 HH TYR A 33 1.743 -7.212 -11.003 1.00 0.00 H new ATOM 497 N ILE A 34 5.489 -6.138 -2.614 1.00 0.00 N ATOM 498 CA ILE A 34 6.467 -5.945 -1.551 1.00 0.00 C ATOM 499 C ILE A 34 7.425 -7.129 -1.463 1.00 0.00 C ATOM 500 O ILE A 34 7.051 -8.212 -1.012 1.00 0.00 O ATOM 501 CB ILE A 34 5.782 -5.751 -0.185 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.869 -4.524 -0.217 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.825 -5.614 0.915 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.764 -4.566 0.815 1.00 0.00 C ATOM 0 H ILE A 34 4.671 -6.682 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 34 7.029 -5.044 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 34 5.171 -6.629 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.471 -3.629 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.426 -4.437 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.326 -5.477 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.438 -6.515 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.459 -4.751 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.156 -3.665 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.139 -5.442 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.200 -4.622 1.813 1.00 0.00 H new ATOM 516 N HIS A 35 8.663 -6.914 -1.896 1.00 0.00 N ATOM 517 CA HIS A 35 9.676 -7.963 -1.865 1.00 0.00 C ATOM 518 C HIS A 35 10.379 -7.999 -0.512 1.00 0.00 C ATOM 519 O HIS A 35 10.513 -9.057 0.103 1.00 0.00 O ATOM 520 CB HIS A 35 10.700 -7.745 -2.979 1.00 0.00 C ATOM 521 CG HIS A 35 11.366 -9.007 -3.436 1.00 0.00 C ATOM 522 ND1 HIS A 35 10.890 -9.774 -4.478 1.00 0.00 N ATOM 523 CD2 HIS A 35 12.479 -9.633 -2.987 1.00 0.00 C ATOM 524 CE1 HIS A 35 11.680 -10.819 -4.649 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.652 -10.757 -3.757 1.00 0.00 N ATOM 0 H HIS A 35 8.989 -6.024 -2.272 1.00 0.00 H new ATOM 0 HA HIS A 35 9.178 -8.920 -2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.205 -7.277 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.462 -7.048 -2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.113 -9.309 -2.175 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.553 -11.592 -5.392 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.408 -11.434 -3.656 1.00 0.00 H new ATOM 533 N LYS A 36 10.828 -6.835 -0.053 1.00 0.00 N ATOM 534 CA LYS A 36 11.517 -6.732 1.228 1.00 0.00 C ATOM 535 C LYS A 36 11.059 -5.495 1.994 1.00 0.00 C ATOM 536 O LYS A 36 10.355 -4.644 1.452 1.00 0.00 O ATOM 537 CB LYS A 36 13.032 -6.680 1.013 1.00 0.00 C ATOM 538 CG LYS A 36 13.519 -5.362 0.438 1.00 0.00 C ATOM 539 CD LYS A 36 15.022 -5.375 0.210 1.00 0.00 C ATOM 540 CE LYS A 36 15.617 -3.980 0.337 1.00 0.00 C ATOM 541 NZ LYS A 36 15.630 -3.262 -0.967 1.00 0.00 N ATOM 0 H LYS A 36 10.727 -5.950 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 36 11.270 -7.615 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.532 -6.858 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.324 -7.489 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.009 -5.164 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.260 -4.550 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.495 -6.041 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.237 -5.775 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.042 -3.405 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.634 -4.053 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.245 -2.304 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.607 -3.199 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.047 -3.781 -1.655 1.00 0.00 H new ATOM 555 N GLU A 37 11.466 -5.402 3.257 1.00 0.00 N ATOM 556 CA GLU A 37 11.097 -4.268 4.096 1.00 0.00 C ATOM 557 C GLU A 37 12.272 -3.309 4.261 1.00 0.00 C ATOM 558 O GLU A 37 13.358 -3.706 4.684 1.00 0.00 O ATOM 559 CB GLU A 37 10.624 -4.754 5.468 1.00 0.00 C ATOM 560 CG GLU A 37 9.216 -5.324 5.459 1.00 0.00 C ATOM 561 CD GLU A 37 8.558 -5.276 6.825 1.00 0.00 C ATOM 562 OE1 GLU A 37 8.496 -4.176 7.414 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.106 -6.336 7.304 1.00 0.00 O ATOM 0 H GLU A 37 12.051 -6.098 3.721 1.00 0.00 H new ATOM 0 HA GLU A 37 10.282 -3.735 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.313 -5.516 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.666 -3.924 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.607 -4.767 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.248 -6.357 5.112 1.00 0.00 H new ATOM 570 N VAL A 38 12.046 -2.043 3.923 1.00 0.00 N ATOM 571 CA VAL A 38 13.085 -1.026 4.034 1.00 0.00 C ATOM 572 C VAL A 38 13.304 -0.620 5.487 1.00 0.00 C ATOM 573 O VAL A 38 14.374 -0.850 6.052 1.00 0.00 O ATOM 574 CB VAL A 38 12.733 0.228 3.211 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.865 1.241 3.271 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.422 -0.152 1.771 1.00 0.00 C ATOM 0 H VAL A 38 11.153 -1.698 3.570 1.00 0.00 H new ATOM 0 HA VAL A 38 14.001 -1.466 3.640 1.00 0.00 H new ATOM 0 HB VAL A 38 11.844 0.688 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.598 2.120 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.036 1.535 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.774 0.796 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.175 0.745 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.292 -0.635 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.576 -0.838 1.751 1.00 0.00 H new ATOM 586 N ASP A 39 12.284 -0.017 6.088 1.00 0.00 N ATOM 587 CA ASP A 39 12.365 0.419 7.477 1.00 0.00 C ATOM 588 C ASP A 39 11.182 -0.110 8.282 1.00 0.00 C ATOM 589 O ASP A 39 10.270 -0.729 7.733 1.00 0.00 O ATOM 590 CB ASP A 39 12.407 1.946 7.553 1.00 0.00 C ATOM 591 CG ASP A 39 13.347 2.551 6.529 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.483 2.048 6.396 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.948 3.526 5.859 1.00 0.00 O ATOM 0 H ASP A 39 11.392 0.181 5.635 1.00 0.00 H new ATOM 0 HA ASP A 39 13.283 0.016 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.403 2.342 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.720 2.249 8.552 1.00 0.00 H new ATOM 598 N LYS A 40 11.203 0.138 9.587 1.00 0.00 N ATOM 599 CA LYS A 40 10.133 -0.313 10.469 1.00 0.00 C ATOM 600 C LYS A 40 8.767 0.069 9.907 1.00 0.00 C ATOM 601 O LYS A 40 7.781 -0.637 10.114 1.00 0.00 O ATOM 602 CB LYS A 40 10.308 0.289 11.866 1.00 0.00 C ATOM 603 CG LYS A 40 11.668 0.011 12.482 1.00 0.00 C ATOM 604 CD LYS A 40 11.658 0.245 13.983 1.00 0.00 C ATOM 605 CE LYS A 40 12.778 -0.519 14.674 1.00 0.00 C ATOM 606 NZ LYS A 40 12.548 -0.634 16.140 1.00 0.00 N ATOM 0 H LYS A 40 11.950 0.649 10.058 1.00 0.00 H new ATOM 0 HA LYS A 40 10.187 -1.399 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.158 1.367 11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.533 -0.107 12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.958 -1.019 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.417 0.653 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.763 1.311 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.697 -0.065 14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.860 -1.515 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.727 -0.014 14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.333 -1.161 16.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.495 0.317 16.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.655 -1.138 16.313 1.00 0.00 H new ATOM 620 N ASN A 41 8.718 1.189 9.194 1.00 0.00 N ATOM 621 CA ASN A 41 7.473 1.664 8.601 1.00 0.00 C ATOM 622 C ASN A 41 7.569 1.685 7.079 1.00 0.00 C ATOM 623 O ASN A 41 6.573 1.492 6.381 1.00 0.00 O ATOM 624 CB ASN A 41 7.136 3.062 9.122 1.00 0.00 C ATOM 625 CG ASN A 41 6.288 3.023 10.378 1.00 0.00 C ATOM 626 OD1 ASN A 41 5.065 3.153 10.320 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.936 2.843 11.524 1.00 0.00 N ATOM 0 H ASN A 41 9.526 1.785 9.013 1.00 0.00 H new ATOM 0 HA ASN A 41 6.678 0.976 8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.060 3.602 9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.607 3.618 8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.419 2.808 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.951 2.740 11.525 1.00 0.00 H new ATOM 634 N TRP A 42 8.773 1.921 6.571 1.00 0.00 N ATOM 635 CA TRP A 42 9.000 1.967 5.131 1.00 0.00 C ATOM 636 C TRP A 42 9.116 0.561 4.553 1.00 0.00 C ATOM 637 O TRP A 42 9.682 -0.334 5.181 1.00 0.00 O ATOM 638 CB TRP A 42 10.266 2.767 4.818 1.00 0.00 C ATOM 639 CG TRP A 42 10.134 4.229 5.121 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.420 4.850 6.304 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.682 5.252 4.228 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.173 6.197 6.199 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.720 6.470 4.935 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.251 5.259 2.898 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.342 7.678 4.357 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.876 6.459 2.326 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.924 7.656 3.054 1.00 0.00 C ATOM 0 H TRP A 42 9.607 2.084 7.135 1.00 0.00 H new ATOM 0 HA TRP A 42 8.144 2.460 4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.097 2.358 5.392 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.515 2.643 3.764 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.786 4.355 7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.305 6.883 6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.212 4.342 2.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.377 8.601 4.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.540 6.475 1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.626 8.578 2.578 1.00 0.00 H new ATOM 658 N LEU A 43 8.579 0.373 3.353 1.00 0.00 N ATOM 659 CA LEU A 43 8.623 -0.925 2.689 1.00 0.00 C ATOM 660 C LEU A 43 9.223 -0.803 1.292 1.00 0.00 C ATOM 661 O LEU A 43 9.265 0.285 0.718 1.00 0.00 O ATOM 662 CB LEU A 43 7.218 -1.524 2.603 1.00 0.00 C ATOM 663 CG LEU A 43 6.415 -1.543 3.904 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.006 -2.059 3.654 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.118 -2.392 4.952 1.00 0.00 C ATOM 0 H LEU A 43 8.108 1.103 2.819 1.00 0.00 H new ATOM 0 HA LEU A 43 9.257 -1.586 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.652 -0.965 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.303 -2.547 2.237 1.00 0.00 H new ATOM 0 HG LEU A 43 6.344 -0.522 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.449 -2.066 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.503 -1.410 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.055 -3.072 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.532 -2.394 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.220 -3.413 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.106 -1.978 5.152 1.00 0.00 H new ATOM 677 N GLU A 44 9.684 -1.926 0.751 1.00 0.00 N ATOM 678 CA GLU A 44 10.280 -1.944 -0.579 1.00 0.00 C ATOM 679 C GLU A 44 9.433 -2.768 -1.544 1.00 0.00 C ATOM 680 O GLU A 44 8.760 -3.716 -1.143 1.00 0.00 O ATOM 681 CB GLU A 44 11.700 -2.511 -0.519 1.00 0.00 C ATOM 682 CG GLU A 44 12.491 -2.309 -1.800 1.00 0.00 C ATOM 683 CD GLU A 44 12.097 -3.288 -2.889 1.00 0.00 C ATOM 684 OE1 GLU A 44 12.037 -4.502 -2.601 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.850 -2.841 -4.029 1.00 0.00 O ATOM 0 H GLU A 44 9.656 -2.835 1.213 1.00 0.00 H new ATOM 0 HA GLU A 44 10.321 -0.918 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.235 -2.041 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.647 -3.577 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.340 -1.291 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.554 -2.417 -1.587 1.00 0.00 H new ATOM 692 N GLY A 45 9.470 -2.397 -2.821 1.00 0.00 N ATOM 693 CA GLY A 45 8.702 -3.111 -3.824 1.00 0.00 C ATOM 694 C GLY A 45 9.074 -2.706 -5.236 1.00 0.00 C ATOM 695 O GLY A 45 9.496 -1.575 -5.473 1.00 0.00 O ATOM 0 H GLY A 45 10.018 -1.615 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.860 -4.183 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.640 -2.925 -3.664 1.00 0.00 H new ATOM 699 N GLU A 46 8.918 -3.633 -6.176 1.00 0.00 N ATOM 700 CA GLU A 46 9.243 -3.366 -7.573 1.00 0.00 C ATOM 701 C GLU A 46 7.983 -3.352 -8.432 1.00 0.00 C ATOM 702 O GLU A 46 7.308 -4.371 -8.582 1.00 0.00 O ATOM 703 CB GLU A 46 10.222 -4.416 -8.101 1.00 0.00 C ATOM 704 CG GLU A 46 10.693 -4.150 -9.521 1.00 0.00 C ATOM 705 CD GLU A 46 11.374 -5.353 -10.145 1.00 0.00 C ATOM 706 OE1 GLU A 46 12.561 -5.588 -9.836 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.721 -6.059 -10.941 1.00 0.00 O ATOM 0 H GLU A 46 8.569 -4.574 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 46 9.710 -2.383 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.089 -4.456 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.746 -5.396 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.840 -3.861 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.384 -3.307 -9.519 1.00 0.00 H new ATOM 798 N GLY A 52 11.511 1.518 -6.346 1.00 0.00 N ATOM 799 CA GLY A 52 12.118 2.304 -5.288 1.00 0.00 C ATOM 800 C GLY A 52 11.542 1.981 -3.923 1.00 0.00 C ATOM 801 O GLY A 52 11.188 0.835 -3.647 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.193 2.124 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.974 3.364 -5.498 1.00 0.00 H new ATOM 805 N ILE A 53 11.449 2.994 -3.068 1.00 0.00 N ATOM 806 CA ILE A 53 10.912 2.812 -1.725 1.00 0.00 C ATOM 807 C ILE A 53 9.607 3.580 -1.545 1.00 0.00 C ATOM 808 O ILE A 53 9.352 4.563 -2.241 1.00 0.00 O ATOM 809 CB ILE A 53 11.916 3.269 -0.651 1.00 0.00 C ATOM 810 CG1 ILE A 53 12.291 4.737 -0.863 1.00 0.00 C ATOM 811 CG2 ILE A 53 13.158 2.391 -0.678 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.959 5.370 0.337 1.00 0.00 C ATOM 0 H ILE A 53 11.738 3.949 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 53 10.722 1.746 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 53 11.447 3.171 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.958 4.813 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.391 5.302 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.858 2.727 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.876 1.356 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.631 2.460 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.196 6.410 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.286 5.327 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.877 4.830 0.569 1.00 0.00 H new ATOM 824 N PHE A 54 8.784 3.127 -0.606 1.00 0.00 N ATOM 825 CA PHE A 54 7.505 3.772 -0.333 1.00 0.00 C ATOM 826 C PHE A 54 7.026 3.454 1.080 1.00 0.00 C ATOM 827 O PHE A 54 7.384 2.434 1.669 1.00 0.00 O ATOM 828 CB PHE A 54 6.456 3.324 -1.353 1.00 0.00 C ATOM 829 CG PHE A 54 6.362 1.832 -1.501 1.00 0.00 C ATOM 830 CD1 PHE A 54 7.283 1.140 -2.271 1.00 0.00 C ATOM 831 CD2 PHE A 54 5.354 1.122 -0.869 1.00 0.00 C ATOM 832 CE1 PHE A 54 7.198 -0.233 -2.409 1.00 0.00 C ATOM 833 CE2 PHE A 54 5.265 -0.250 -1.003 1.00 0.00 C ATOM 834 CZ PHE A 54 6.188 -0.929 -1.773 1.00 0.00 C ATOM 0 H PHE A 54 8.980 2.315 -0.021 1.00 0.00 H new ATOM 0 HA PHE A 54 7.645 4.850 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.482 3.714 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.693 3.763 -2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.076 1.679 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.629 1.647 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.921 -0.761 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.474 -0.791 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.121 -2.002 -1.878 1.00 0.00 H new ATOM 844 N PRO A 55 6.195 4.347 1.637 1.00 0.00 N ATOM 845 CA PRO A 55 5.648 4.184 2.988 1.00 0.00 C ATOM 846 C PRO A 55 4.636 3.046 3.070 1.00 0.00 C ATOM 847 O PRO A 55 4.122 2.585 2.051 1.00 0.00 O ATOM 848 CB PRO A 55 4.964 5.527 3.258 1.00 0.00 C ATOM 849 CG PRO A 55 4.631 6.061 1.908 1.00 0.00 C ATOM 850 CD PRO A 55 5.725 5.585 0.993 1.00 0.00 C ATOM 0 HA PRO A 55 6.421 3.930 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.068 5.400 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.623 6.205 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.658 5.699 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.579 7.150 1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.353 5.398 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.524 6.321 0.906 1.00 0.00 H new ATOM 858 N ALA A 56 4.356 2.596 4.289 1.00 0.00 N ATOM 859 CA ALA A 56 3.404 1.513 4.503 1.00 0.00 C ATOM 860 C ALA A 56 1.999 2.057 4.742 1.00 0.00 C ATOM 861 O ALA A 56 1.034 1.595 4.135 1.00 0.00 O ATOM 862 CB ALA A 56 3.844 0.649 5.675 1.00 0.00 C ATOM 0 H ALA A 56 4.775 2.965 5.143 1.00 0.00 H new ATOM 0 HA ALA A 56 3.379 0.900 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.124 -0.156 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.826 0.224 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.898 1.259 6.577 1.00 0.00 H new ATOM 868 N ASN A 57 1.893 3.039 5.631 1.00 0.00 N ATOM 869 CA ASN A 57 0.605 3.644 5.951 1.00 0.00 C ATOM 870 C ASN A 57 -0.180 3.957 4.681 1.00 0.00 C ATOM 871 O ASN A 57 -1.313 3.505 4.512 1.00 0.00 O ATOM 872 CB ASN A 57 0.807 4.923 6.766 1.00 0.00 C ATOM 873 CG ASN A 57 -0.389 5.852 6.691 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.536 5.405 6.689 1.00 0.00 O ATOM 875 ND2 ASN A 57 -0.125 7.152 6.629 1.00 0.00 N ATOM 0 H ASN A 57 2.683 3.433 6.142 1.00 0.00 H new ATOM 0 HA ASN A 57 0.034 2.929 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.995 4.661 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.692 5.445 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.889 7.826 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.842 7.477 6.633 1.00 0.00 H new ATOM 882 N TYR A 58 0.430 4.731 3.790 1.00 0.00 N ATOM 883 CA TYR A 58 -0.211 5.105 2.536 1.00 0.00 C ATOM 884 C TYR A 58 -0.949 3.918 1.926 1.00 0.00 C ATOM 885 O TYR A 58 -1.890 4.088 1.150 1.00 0.00 O ATOM 886 CB TYR A 58 0.827 5.638 1.547 1.00 0.00 C ATOM 887 CG TYR A 58 1.094 7.120 1.689 1.00 0.00 C ATOM 888 CD1 TYR A 58 2.014 7.593 2.617 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.427 8.046 0.897 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.262 8.946 2.751 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.669 9.400 1.024 1.00 0.00 C ATOM 892 CZ TYR A 58 1.587 9.845 1.952 1.00 0.00 C ATOM 893 OH TYR A 58 1.829 11.193 2.081 1.00 0.00 O ATOM 0 H TYR A 58 1.368 5.112 3.914 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.937 5.890 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.761 5.094 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.487 5.434 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.544 6.891 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.293 7.701 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.980 9.297 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.142 10.106 0.400 1.00 0.00 H new ATOM 0 HH TYR A 58 1.272 11.688 1.444 1.00 0.00 H new ATOM 903 N VAL A 59 -0.515 2.713 2.282 1.00 0.00 N ATOM 904 CA VAL A 59 -1.134 1.495 1.772 1.00 0.00 C ATOM 905 C VAL A 59 -1.714 0.658 2.905 1.00 0.00 C ATOM 906 O VAL A 59 -1.125 0.557 3.980 1.00 0.00 O ATOM 907 CB VAL A 59 -0.124 0.641 0.982 1.00 0.00 C ATOM 908 CG1 VAL A 59 0.335 1.376 -0.268 1.00 0.00 C ATOM 909 CG2 VAL A 59 1.062 0.272 1.859 1.00 0.00 C ATOM 0 H VAL A 59 0.263 2.554 2.922 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.938 1.804 1.104 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.618 -0.280 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.048 0.757 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.525 1.584 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.812 2.314 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.765 -0.331 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.558 1.180 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.714 -0.298 2.720 1.00 0.00 H new ATOM 919 N GLU A 60 -2.874 0.058 2.656 1.00 0.00 N ATOM 920 CA GLU A 60 -3.535 -0.772 3.657 1.00 0.00 C ATOM 921 C GLU A 60 -3.647 -2.216 3.179 1.00 0.00 C ATOM 922 O GLU A 60 -4.140 -2.482 2.082 1.00 0.00 O ATOM 923 CB GLU A 60 -4.926 -0.218 3.973 1.00 0.00 C ATOM 924 CG GLU A 60 -5.966 -0.546 2.916 1.00 0.00 C ATOM 925 CD GLU A 60 -7.331 0.030 3.241 1.00 0.00 C ATOM 926 OE1 GLU A 60 -7.593 1.187 2.851 1.00 0.00 O ATOM 927 OE2 GLU A 60 -8.135 -0.675 3.886 1.00 0.00 O ATOM 0 H GLU A 60 -3.375 0.131 1.771 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.930 -0.754 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.257 -0.616 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.860 0.864 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.633 -0.160 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.047 -1.628 2.815 1.00 0.00 H new ATOM 934 N VAL A 61 -3.187 -3.146 4.009 1.00 0.00 N ATOM 935 CA VAL A 61 -3.235 -4.564 3.673 1.00 0.00 C ATOM 936 C VAL A 61 -4.659 -5.004 3.351 1.00 0.00 C ATOM 937 O VAL A 61 -5.567 -4.855 4.171 1.00 0.00 O ATOM 938 CB VAL A 61 -2.688 -5.433 4.821 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.805 -6.910 4.476 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.245 -5.061 5.128 1.00 0.00 C ATOM 0 H VAL A 61 -2.776 -2.943 4.920 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.607 -4.702 2.793 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.286 -5.245 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.414 -7.508 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.852 -7.163 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.233 -7.119 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.874 -5.684 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.632 -5.219 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.194 -4.013 5.422 1.00 0.00 H new