USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=6 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+ 169:sc= 0 (180deg=-0.0823) USER MOD Single : A 17 GLN : amide:sc= -0.46 K(o=-0.46,f=-2.8!) 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 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0182 (180deg=-0.184) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.36) 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= -0.0181 X(o=-0.018,f=-0.22) USER MOD Single : A 57 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.45) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -1.179 -8.702 -1.524 1.00 0.00 N ATOM 89 CA ALA A 9 -1.594 -7.550 -2.314 1.00 0.00 C ATOM 90 C ALA A 9 -1.824 -6.330 -1.428 1.00 0.00 C ATOM 91 O ALA A 9 -2.115 -6.461 -0.239 1.00 0.00 O ATOM 92 CB ALA A 9 -2.854 -7.877 -3.102 1.00 0.00 C ATOM 0 HA ALA A 9 -0.792 -7.313 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.153 -7.008 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.658 -8.715 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.655 -8.143 -2.413 1.00 0.00 H new ATOM 98 N ALA A 10 -1.692 -5.145 -2.014 1.00 0.00 N ATOM 99 CA ALA A 10 -1.886 -3.902 -1.278 1.00 0.00 C ATOM 100 C ALA A 10 -2.228 -2.753 -2.220 1.00 0.00 C ATOM 101 O ALA A 10 -1.545 -2.535 -3.221 1.00 0.00 O ATOM 102 CB ALA A 10 -0.643 -3.570 -0.465 1.00 0.00 C ATOM 0 H ALA A 10 -1.451 -5.019 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.726 -4.040 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.802 -2.639 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.445 -4.375 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.210 -3.458 -1.134 1.00 0.00 H new ATOM 108 N ARG A 11 -3.288 -2.021 -1.894 1.00 0.00 N ATOM 109 CA ARG A 11 -3.721 -0.895 -2.713 1.00 0.00 C ATOM 110 C ARG A 11 -3.370 0.430 -2.044 1.00 0.00 C ATOM 111 O ARG A 11 -3.256 0.509 -0.820 1.00 0.00 O ATOM 112 CB ARG A 11 -5.228 -0.969 -2.964 1.00 0.00 C ATOM 113 CG ARG A 11 -5.734 0.077 -3.943 1.00 0.00 C ATOM 114 CD ARG A 11 -7.246 0.015 -4.092 1.00 0.00 C ATOM 115 NE ARG A 11 -7.929 0.177 -2.811 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.179 -0.828 -1.979 1.00 0.00 C ATOM 117 NH1 ARG A 11 -7.803 -2.061 -2.292 1.00 0.00 N ATOM 118 NH2 ARG A 11 -8.805 -0.602 -0.831 1.00 0.00 N ATOM 0 H ARG A 11 -3.863 -2.187 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.198 -0.950 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.476 -1.960 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.752 -0.850 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.441 1.069 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.265 -0.076 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.575 0.794 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.528 -0.940 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.231 1.113 -2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.321 -2.239 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.996 -2.831 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.095 0.345 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.996 -1.375 -0.194 1.00 0.00 H new ATOM 132 N LEU A 12 -3.198 1.469 -2.855 1.00 0.00 N ATOM 133 CA LEU A 12 -2.860 2.792 -2.342 1.00 0.00 C ATOM 134 C LEU A 12 -4.113 3.546 -1.912 1.00 0.00 C ATOM 135 O LEU A 12 -4.881 4.025 -2.747 1.00 0.00 O ATOM 136 CB LEU A 12 -2.107 3.595 -3.404 1.00 0.00 C ATOM 137 CG LEU A 12 -0.582 3.481 -3.376 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.015 4.206 -2.165 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.156 2.020 -3.373 1.00 0.00 C ATOM 0 H LEU A 12 -3.287 1.420 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.219 2.663 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.457 3.278 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.375 4.646 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.185 3.952 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.071 4.114 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.290 5.260 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.419 3.764 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.932 1.958 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.564 1.524 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.531 1.530 -4.272 1.00 0.00 H new ATOM 151 N LYS A 13 -4.314 3.651 -0.602 1.00 0.00 N ATOM 152 CA LYS A 13 -5.473 4.351 -0.059 1.00 0.00 C ATOM 153 C LYS A 13 -5.642 5.716 -0.717 1.00 0.00 C ATOM 154 O LYS A 13 -6.747 6.254 -0.780 1.00 0.00 O ATOM 155 CB LYS A 13 -5.330 4.517 1.455 1.00 0.00 C ATOM 156 CG LYS A 13 -5.392 3.205 2.219 1.00 0.00 C ATOM 157 CD LYS A 13 -5.456 3.437 3.720 1.00 0.00 C ATOM 158 CE LYS A 13 -6.867 3.780 4.171 1.00 0.00 C ATOM 159 NZ LYS A 13 -7.757 2.585 4.166 1.00 0.00 N ATOM 0 H LYS A 13 -3.689 3.260 0.103 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.360 3.753 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.381 5.009 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.120 5.176 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.266 2.638 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.516 2.602 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.113 2.544 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.779 4.246 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.834 4.204 5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.282 4.545 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.648 2.814 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.958 2.306 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.286 1.800 4.659 1.00 0.00 H new ATOM 173 N PHE A 14 -4.539 6.272 -1.208 1.00 0.00 N ATOM 174 CA PHE A 14 -4.565 7.575 -1.862 1.00 0.00 C ATOM 175 C PHE A 14 -3.328 7.771 -2.733 1.00 0.00 C ATOM 176 O PHE A 14 -2.425 6.934 -2.746 1.00 0.00 O ATOM 177 CB PHE A 14 -4.651 8.691 -0.819 1.00 0.00 C ATOM 178 CG PHE A 14 -5.747 8.489 0.187 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.535 7.718 1.318 1.00 0.00 C ATOM 180 CD2 PHE A 14 -6.992 9.070 0.001 1.00 0.00 C ATOM 181 CE1 PHE A 14 -6.542 7.530 2.246 1.00 0.00 C ATOM 182 CE2 PHE A 14 -8.003 8.886 0.925 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.778 8.114 2.049 1.00 0.00 C ATOM 0 H PHE A 14 -3.616 5.840 -1.165 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.447 7.616 -2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.697 8.762 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.807 9.642 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.571 7.258 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.174 9.673 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.363 6.927 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.968 9.345 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.567 7.968 2.772 1.00 0.00 H new ATOM 193 N ASP A 15 -3.294 8.883 -3.460 1.00 0.00 N ATOM 194 CA ASP A 15 -2.168 9.190 -4.334 1.00 0.00 C ATOM 195 C ASP A 15 -0.927 9.541 -3.519 1.00 0.00 C ATOM 196 O ASP A 15 -0.973 10.397 -2.636 1.00 0.00 O ATOM 197 CB ASP A 15 -2.523 10.348 -5.270 1.00 0.00 C ATOM 198 CG ASP A 15 -3.910 10.207 -5.865 1.00 0.00 C ATOM 199 OD1 ASP A 15 -4.893 10.507 -5.156 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.012 9.797 -7.040 1.00 0.00 O ATOM 0 H ASP A 15 -4.033 9.586 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.950 8.304 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.460 11.287 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.789 10.399 -6.074 1.00 0.00 H new ATOM 205 N PHE A 16 0.181 8.872 -3.821 1.00 0.00 N ATOM 206 CA PHE A 16 1.434 9.111 -3.115 1.00 0.00 C ATOM 207 C PHE A 16 2.449 9.797 -4.025 1.00 0.00 C ATOM 208 O PHE A 16 2.939 9.203 -4.984 1.00 0.00 O ATOM 209 CB PHE A 16 2.010 7.792 -2.594 1.00 0.00 C ATOM 210 CG PHE A 16 3.365 7.938 -1.963 1.00 0.00 C ATOM 211 CD1 PHE A 16 4.513 7.907 -2.739 1.00 0.00 C ATOM 212 CD2 PHE A 16 3.492 8.105 -0.593 1.00 0.00 C ATOM 213 CE1 PHE A 16 5.761 8.041 -2.162 1.00 0.00 C ATOM 214 CE2 PHE A 16 4.738 8.240 -0.010 1.00 0.00 C ATOM 215 CZ PHE A 16 5.874 8.207 -0.795 1.00 0.00 C ATOM 0 H PHE A 16 0.236 8.160 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 16 1.226 9.768 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.322 7.367 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.077 7.083 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.431 7.776 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.607 8.130 0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.647 8.016 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.823 8.371 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.849 8.311 -0.341 1.00 0.00 H new ATOM 225 N GLN A 17 2.757 11.053 -3.716 1.00 0.00 N ATOM 226 CA GLN A 17 3.711 11.821 -4.506 1.00 0.00 C ATOM 227 C GLN A 17 5.100 11.777 -3.877 1.00 0.00 C ATOM 228 O GLN A 17 5.276 12.140 -2.714 1.00 0.00 O ATOM 229 CB GLN A 17 3.244 13.272 -4.640 1.00 0.00 C ATOM 230 CG GLN A 17 3.986 14.053 -5.713 1.00 0.00 C ATOM 231 CD GLN A 17 5.236 14.728 -5.184 1.00 0.00 C ATOM 232 OE1 GLN A 17 5.406 14.887 -3.975 1.00 0.00 O ATOM 233 NE2 GLN A 17 6.121 15.129 -6.090 1.00 0.00 N ATOM 0 H GLN A 17 2.360 11.559 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 17 3.767 11.372 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.178 13.282 -4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.371 13.776 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.258 13.379 -6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.321 14.807 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.940 14.977 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.982 15.589 -5.793 1.00 0.00 H new ATOM 242 N ALA A 18 6.082 11.331 -4.652 1.00 0.00 N ATOM 243 CA ALA A 18 7.455 11.241 -4.171 1.00 0.00 C ATOM 244 C ALA A 18 8.279 12.436 -4.637 1.00 0.00 C ATOM 245 O ALA A 18 8.306 12.757 -5.825 1.00 0.00 O ATOM 246 CB ALA A 18 8.094 9.942 -4.638 1.00 0.00 C ATOM 0 H ALA A 18 5.952 11.026 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 18 7.433 11.251 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.119 9.888 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.525 9.097 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.096 9.909 -5.727 1.00 0.00 H new ATOM 252 N GLN A 19 8.949 13.091 -3.694 1.00 0.00 N ATOM 253 CA GLN A 19 9.773 14.252 -4.009 1.00 0.00 C ATOM 254 C GLN A 19 11.220 13.841 -4.261 1.00 0.00 C ATOM 255 O GLN A 19 11.917 14.452 -5.070 1.00 0.00 O ATOM 256 CB GLN A 19 9.711 15.272 -2.871 1.00 0.00 C ATOM 257 CG GLN A 19 10.699 16.417 -3.026 1.00 0.00 C ATOM 258 CD GLN A 19 10.759 17.306 -1.800 1.00 0.00 C ATOM 259 OE1 GLN A 19 11.497 17.030 -0.853 1.00 0.00 O ATOM 260 NE2 GLN A 19 9.980 18.382 -1.809 1.00 0.00 N ATOM 0 H GLN A 19 8.937 12.837 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 19 9.381 14.708 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.702 15.679 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.903 14.763 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.691 16.011 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.421 17.017 -3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.384 18.573 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.978 19.017 -1.011 1.00 0.00 H new ATOM 269 N SER A 20 11.664 12.801 -3.563 1.00 0.00 N ATOM 270 CA SER A 20 13.030 12.310 -3.708 1.00 0.00 C ATOM 271 C SER A 20 13.092 11.165 -4.714 1.00 0.00 C ATOM 272 O SER A 20 12.095 10.502 -5.000 1.00 0.00 O ATOM 273 CB SER A 20 13.573 11.845 -2.355 1.00 0.00 C ATOM 274 OG SER A 20 14.109 12.932 -1.620 1.00 0.00 O ATOM 0 H SER A 20 11.098 12.282 -2.892 1.00 0.00 H new ATOM 0 HA SER A 20 13.647 13.129 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.775 11.373 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.344 11.090 -2.509 1.00 0.00 H new ATOM 0 HG SER A 20 14.448 12.609 -0.759 1.00 0.00 H new ATOM 280 N PRO A 21 14.291 10.928 -5.266 1.00 0.00 N ATOM 281 CA PRO A 21 14.513 9.863 -6.248 1.00 0.00 C ATOM 282 C PRO A 21 14.413 8.473 -5.630 1.00 0.00 C ATOM 283 O PRO A 21 14.034 7.510 -6.298 1.00 0.00 O ATOM 284 CB PRO A 21 15.938 10.127 -6.741 1.00 0.00 C ATOM 285 CG PRO A 21 16.598 10.853 -5.620 1.00 0.00 C ATOM 286 CD PRO A 21 15.523 11.679 -4.972 1.00 0.00 C ATOM 0 HA PRO A 21 13.763 9.876 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.457 9.196 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.937 10.724 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.036 10.155 -4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.407 11.484 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.686 11.780 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.487 12.687 -5.385 1.00 0.00 H new ATOM 294 N LYS A 22 14.754 8.374 -4.350 1.00 0.00 N ATOM 295 CA LYS A 22 14.701 7.102 -3.639 1.00 0.00 C ATOM 296 C LYS A 22 13.257 6.661 -3.420 1.00 0.00 C ATOM 297 O LYS A 22 12.945 5.472 -3.487 1.00 0.00 O ATOM 298 CB LYS A 22 15.421 7.215 -2.293 1.00 0.00 C ATOM 299 CG LYS A 22 16.908 6.920 -2.372 1.00 0.00 C ATOM 300 CD LYS A 22 17.496 6.642 -0.999 1.00 0.00 C ATOM 301 CE LYS A 22 17.382 5.171 -0.631 1.00 0.00 C ATOM 302 NZ LYS A 22 18.494 4.367 -1.210 1.00 0.00 N ATOM 0 H LYS A 22 15.070 9.161 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 22 15.203 6.352 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.279 8.221 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.960 6.527 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.075 6.060 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.424 7.767 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.544 6.942 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.980 7.246 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.385 5.067 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.428 4.781 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.381 3.370 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.476 4.446 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.403 4.723 -0.851 1.00 0.00 H new ATOM 316 N GLU A 23 12.381 7.626 -3.160 1.00 0.00 N ATOM 317 CA GLU A 23 10.971 7.336 -2.932 1.00 0.00 C ATOM 318 C GLU A 23 10.331 6.732 -4.179 1.00 0.00 C ATOM 319 O GLU A 23 10.942 6.696 -5.248 1.00 0.00 O ATOM 320 CB GLU A 23 10.224 8.609 -2.528 1.00 0.00 C ATOM 321 CG GLU A 23 10.319 8.926 -1.045 1.00 0.00 C ATOM 322 CD GLU A 23 9.942 10.360 -0.730 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.750 10.705 -0.874 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.837 11.138 -0.339 1.00 0.00 O ATOM 0 H GLU A 23 12.623 8.615 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 23 10.902 6.610 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.622 9.449 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.174 8.507 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.666 8.252 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.336 8.738 -0.701 1.00 0.00 H new ATOM 331 N LEU A 24 9.099 6.258 -4.034 1.00 0.00 N ATOM 332 CA LEU A 24 8.375 5.654 -5.147 1.00 0.00 C ATOM 333 C LEU A 24 7.100 6.433 -5.454 1.00 0.00 C ATOM 334 O LEU A 24 6.240 6.604 -4.589 1.00 0.00 O ATOM 335 CB LEU A 24 8.033 4.198 -4.829 1.00 0.00 C ATOM 336 CG LEU A 24 7.987 3.243 -6.023 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.718 1.820 -5.558 1.00 0.00 C ATOM 338 CD2 LEU A 24 6.929 3.689 -7.022 1.00 0.00 C ATOM 0 H LEU A 24 8.580 6.280 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 24 9.018 5.685 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.766 3.821 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.063 4.174 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 24 8.958 3.264 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.689 1.155 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.511 1.502 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.761 1.782 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.910 2.998 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.952 3.698 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.166 4.691 -7.380 1.00 0.00 H new ATOM 350 N THR A 25 6.983 6.902 -6.693 1.00 0.00 N ATOM 351 CA THR A 25 5.812 7.661 -7.114 1.00 0.00 C ATOM 352 C THR A 25 4.642 6.737 -7.430 1.00 0.00 C ATOM 353 O THR A 25 4.700 5.943 -8.370 1.00 0.00 O ATOM 354 CB THR A 25 6.119 8.524 -8.353 1.00 0.00 C ATOM 355 OG1 THR A 25 7.176 9.444 -8.060 1.00 0.00 O ATOM 356 CG2 THR A 25 4.882 9.290 -8.799 1.00 0.00 C ATOM 0 H THR A 25 7.684 6.769 -7.422 1.00 0.00 H new ATOM 0 HA THR A 25 5.542 8.313 -6.283 1.00 0.00 H new ATOM 0 HB THR A 25 6.428 7.862 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.366 9.987 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.123 9.892 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.089 8.586 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.547 9.942 -7.992 1.00 0.00 H new ATOM 364 N LEU A 26 3.579 6.846 -6.640 1.00 0.00 N ATOM 365 CA LEU A 26 2.393 6.020 -6.835 1.00 0.00 C ATOM 366 C LEU A 26 1.142 6.884 -6.959 1.00 0.00 C ATOM 367 O LEU A 26 1.199 8.102 -6.792 1.00 0.00 O ATOM 368 CB LEU A 26 2.235 5.036 -5.674 1.00 0.00 C ATOM 369 CG LEU A 26 3.471 4.206 -5.325 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.459 3.825 -3.852 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.543 2.963 -6.199 1.00 0.00 C ATOM 0 H LEU A 26 3.515 7.498 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 26 2.519 5.460 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.936 5.596 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.419 4.354 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 26 4.357 4.811 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.346 3.235 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.456 4.729 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.566 3.238 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.429 2.385 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.652 2.355 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.599 3.258 -7.247 1.00 0.00 H new ATOM 383 N GLN A 27 0.014 6.244 -7.250 1.00 0.00 N ATOM 384 CA GLN A 27 -1.251 6.955 -7.394 1.00 0.00 C ATOM 385 C GLN A 27 -2.381 6.200 -6.701 1.00 0.00 C ATOM 386 O GLN A 27 -2.224 5.042 -6.316 1.00 0.00 O ATOM 387 CB GLN A 27 -1.585 7.151 -8.874 1.00 0.00 C ATOM 388 CG GLN A 27 -0.863 8.328 -9.509 1.00 0.00 C ATOM 389 CD GLN A 27 -1.383 8.652 -10.896 1.00 0.00 C ATOM 390 OE1 GLN A 27 -1.338 7.817 -11.799 1.00 0.00 O ATOM 391 NE2 GLN A 27 -1.882 9.870 -11.071 1.00 0.00 N ATOM 0 H GLN A 27 -0.050 5.236 -7.391 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.146 7.931 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.330 6.242 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.660 7.295 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.973 9.204 -8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.203 8.107 -9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.899 10.531 -10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.248 10.145 -11.982 1.00 0.00 H new ATOM 400 N LYS A 28 -3.521 6.865 -6.545 1.00 0.00 N ATOM 401 CA LYS A 28 -4.679 6.258 -5.900 1.00 0.00 C ATOM 402 C LYS A 28 -5.164 5.042 -6.683 1.00 0.00 C ATOM 403 O LYS A 28 -5.641 5.167 -7.810 1.00 0.00 O ATOM 404 CB LYS A 28 -5.811 7.280 -5.772 1.00 0.00 C ATOM 405 CG LYS A 28 -7.115 6.684 -5.269 1.00 0.00 C ATOM 406 CD LYS A 28 -8.287 7.620 -5.512 1.00 0.00 C ATOM 407 CE LYS A 28 -8.414 8.653 -4.402 1.00 0.00 C ATOM 408 NZ LYS A 28 -8.909 8.048 -3.135 1.00 0.00 N ATOM 0 H LYS A 28 -3.667 7.825 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.379 5.930 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.498 8.073 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.984 7.742 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.298 5.733 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.032 6.473 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.158 8.126 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.208 7.041 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.444 9.119 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.095 9.443 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.269 8.797 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.674 7.376 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.130 7.547 -2.662 1.00 0.00 H new ATOM 422 N GLY A 29 -5.038 3.865 -6.077 1.00 0.00 N ATOM 423 CA GLY A 29 -5.469 2.644 -6.732 1.00 0.00 C ATOM 424 C GLY A 29 -4.339 1.952 -7.469 1.00 0.00 C ATOM 425 O GLY A 29 -4.527 1.452 -8.578 1.00 0.00 O ATOM 0 H GLY A 29 -4.645 3.736 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.884 1.964 -5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.269 2.875 -7.435 1.00 0.00 H new ATOM 429 N ASP A 30 -3.163 1.924 -6.852 1.00 0.00 N ATOM 430 CA ASP A 30 -1.998 1.288 -7.457 1.00 0.00 C ATOM 431 C ASP A 30 -1.651 -0.010 -6.734 1.00 0.00 C ATOM 432 O ASP A 30 -1.380 -0.010 -5.533 1.00 0.00 O ATOM 433 CB ASP A 30 -0.800 2.238 -7.428 1.00 0.00 C ATOM 434 CG ASP A 30 -0.876 3.299 -8.508 1.00 0.00 C ATOM 435 OD1 ASP A 30 -1.874 4.050 -8.533 1.00 0.00 O ATOM 436 OD2 ASP A 30 0.061 3.378 -9.330 1.00 0.00 O ATOM 0 H ASP A 30 -2.991 2.334 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.240 1.052 -8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.746 2.720 -6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.118 1.664 -7.551 1.00 0.00 H new ATOM 441 N ILE A 31 -1.663 -1.114 -7.474 1.00 0.00 N ATOM 442 CA ILE A 31 -1.349 -2.418 -6.904 1.00 0.00 C ATOM 443 C ILE A 31 0.142 -2.719 -7.006 1.00 0.00 C ATOM 444 O ILE A 31 0.710 -2.736 -8.098 1.00 0.00 O ATOM 445 CB ILE A 31 -2.137 -3.542 -7.602 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.634 -3.227 -7.592 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.867 -4.878 -6.926 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.267 -3.343 -6.223 1.00 0.00 C ATOM 0 H ILE A 31 -1.887 -1.131 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.638 -2.380 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.805 -3.608 -8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.787 -2.216 -7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.144 -3.904 -8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.431 -5.662 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.802 -5.105 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.174 -4.826 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.329 -3.106 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.146 -4.360 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.783 -2.646 -5.538 1.00 0.00 H new ATOM 460 N VAL A 32 0.772 -2.958 -5.860 1.00 0.00 N ATOM 461 CA VAL A 32 2.198 -3.261 -5.820 1.00 0.00 C ATOM 462 C VAL A 32 2.474 -4.492 -4.964 1.00 0.00 C ATOM 463 O VAL A 32 1.608 -4.949 -4.218 1.00 0.00 O ATOM 464 CB VAL A 32 3.009 -2.074 -5.268 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.822 -0.845 -6.146 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.609 -1.778 -3.831 1.00 0.00 C ATOM 0 H VAL A 32 0.317 -2.948 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 32 2.509 -3.458 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 32 4.066 -2.342 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.402 -0.016 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.162 -1.065 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.767 -0.572 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.192 -0.936 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.548 -1.530 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.800 -2.655 -3.212 1.00 0.00 H new ATOM 476 N TYR A 33 3.685 -5.025 -5.078 1.00 0.00 N ATOM 477 CA TYR A 33 4.075 -6.206 -4.316 1.00 0.00 C ATOM 478 C TYR A 33 5.261 -5.899 -3.407 1.00 0.00 C ATOM 479 O TYR A 33 6.284 -5.381 -3.856 1.00 0.00 O ATOM 480 CB TYR A 33 4.427 -7.355 -5.262 1.00 0.00 C ATOM 481 CG TYR A 33 3.382 -7.605 -6.326 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.224 -8.317 -6.037 1.00 0.00 C ATOM 483 CD2 TYR A 33 3.553 -7.131 -7.620 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.267 -8.548 -7.006 1.00 0.00 C ATOM 485 CE2 TYR A 33 2.601 -7.356 -8.595 1.00 0.00 C ATOM 486 CZ TYR A 33 1.460 -8.065 -8.283 1.00 0.00 C ATOM 487 OH TYR A 33 0.510 -8.293 -9.252 1.00 0.00 O ATOM 0 H TYR A 33 4.414 -4.658 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 33 3.230 -6.502 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.380 -7.138 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.565 -8.265 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.070 -8.696 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.446 -6.577 -7.868 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.373 -9.104 -6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.749 -6.979 -9.596 1.00 0.00 H new ATOM 0 HH TYR A 33 0.798 -7.885 -10.095 1.00 0.00 H new ATOM 497 N ILE A 34 5.116 -6.224 -2.127 1.00 0.00 N ATOM 498 CA ILE A 34 6.175 -5.986 -1.154 1.00 0.00 C ATOM 499 C ILE A 34 7.245 -7.071 -1.229 1.00 0.00 C ATOM 500 O ILE A 34 7.056 -8.180 -0.727 1.00 0.00 O ATOM 501 CB ILE A 34 5.619 -5.928 0.281 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.719 -4.702 0.453 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.757 -5.902 1.290 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.266 -4.968 0.126 1.00 0.00 C ATOM 0 H ILE A 34 4.276 -6.653 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 34 6.620 -5.022 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 34 5.022 -6.822 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.793 -4.349 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.086 -3.899 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.347 -5.861 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.361 -6.802 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.379 -5.024 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.688 -4.055 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.180 -5.292 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.882 -5.748 0.783 1.00 0.00 H new ATOM 516 N HIS A 35 8.369 -6.743 -1.857 1.00 0.00 N ATOM 517 CA HIS A 35 9.471 -7.689 -1.995 1.00 0.00 C ATOM 518 C HIS A 35 10.495 -7.497 -0.881 1.00 0.00 C ATOM 519 O HIS A 35 10.947 -8.463 -0.265 1.00 0.00 O ATOM 520 CB HIS A 35 10.146 -7.522 -3.357 1.00 0.00 C ATOM 521 CG HIS A 35 11.148 -8.592 -3.664 1.00 0.00 C ATOM 522 ND1 HIS A 35 12.441 -8.572 -3.184 1.00 0.00 N ATOM 523 CD2 HIS A 35 11.041 -9.720 -4.405 1.00 0.00 C ATOM 524 CE1 HIS A 35 13.086 -9.640 -3.619 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.258 -10.353 -4.362 1.00 0.00 N ATOM 0 H HIS A 35 8.541 -5.830 -2.278 1.00 0.00 H new ATOM 0 HA HIS A 35 9.063 -8.697 -1.920 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.382 -7.518 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.641 -6.551 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.161 -10.059 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.115 -9.888 -3.404 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.486 -11.231 -4.828 1.00 0.00 H new ATOM 533 N LYS A 36 10.858 -6.244 -0.626 1.00 0.00 N ATOM 534 CA LYS A 36 11.828 -5.925 0.414 1.00 0.00 C ATOM 535 C LYS A 36 11.239 -4.946 1.425 1.00 0.00 C ATOM 536 O LYS A 36 10.304 -4.208 1.115 1.00 0.00 O ATOM 537 CB LYS A 36 13.096 -5.333 -0.206 1.00 0.00 C ATOM 538 CG LYS A 36 13.960 -4.573 0.785 1.00 0.00 C ATOM 539 CD LYS A 36 15.358 -4.337 0.240 1.00 0.00 C ATOM 540 CE LYS A 36 16.197 -3.504 1.197 1.00 0.00 C ATOM 541 NZ LYS A 36 16.687 -4.310 2.350 1.00 0.00 N ATOM 0 H LYS A 36 10.494 -5.433 -1.126 1.00 0.00 H new ATOM 0 HA LYS A 36 12.083 -6.848 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.685 -6.138 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.814 -4.663 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.493 -3.616 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.022 -5.132 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.848 -5.295 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.293 -3.831 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.047 -3.082 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.604 -2.666 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.254 -3.707 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.875 -4.692 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.274 -5.095 2.001 1.00 0.00 H new ATOM 555 N GLU A 37 11.793 -4.945 2.634 1.00 0.00 N ATOM 556 CA GLU A 37 11.322 -4.056 3.689 1.00 0.00 C ATOM 557 C GLU A 37 12.459 -3.185 4.215 1.00 0.00 C ATOM 558 O GLU A 37 13.394 -3.680 4.846 1.00 0.00 O ATOM 559 CB GLU A 37 10.713 -4.866 4.835 1.00 0.00 C ATOM 560 CG GLU A 37 9.892 -4.030 5.802 1.00 0.00 C ATOM 561 CD GLU A 37 9.706 -4.708 7.146 1.00 0.00 C ATOM 562 OE1 GLU A 37 8.783 -5.540 7.268 1.00 0.00 O ATOM 563 OE2 GLU A 37 10.483 -4.406 8.075 1.00 0.00 O ATOM 0 H GLU A 37 12.568 -5.550 2.906 1.00 0.00 H new ATOM 0 HA GLU A 37 10.556 -3.406 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.081 -5.650 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.514 -5.361 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.381 -3.067 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.915 -3.828 5.363 1.00 0.00 H new ATOM 570 N VAL A 38 12.373 -1.885 3.950 1.00 0.00 N ATOM 571 CA VAL A 38 13.394 -0.945 4.396 1.00 0.00 C ATOM 572 C VAL A 38 13.326 -0.735 5.905 1.00 0.00 C ATOM 573 O VAL A 38 14.228 -1.138 6.639 1.00 0.00 O ATOM 574 CB VAL A 38 13.248 0.417 3.693 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.505 1.254 3.883 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.946 0.223 2.215 1.00 0.00 C ATOM 0 H VAL A 38 11.607 -1.459 3.429 1.00 0.00 H new ATOM 0 HA VAL A 38 14.359 -1.379 4.135 1.00 0.00 H new ATOM 0 HB VAL A 38 12.412 0.952 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.383 2.213 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.673 1.422 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.360 0.728 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.846 1.196 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.759 -0.332 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.016 -0.334 2.104 1.00 0.00 H new ATOM 586 N ASP A 39 12.250 -0.103 6.361 1.00 0.00 N ATOM 587 CA ASP A 39 12.063 0.159 7.783 1.00 0.00 C ATOM 588 C ASP A 39 10.713 -0.370 8.260 1.00 0.00 C ATOM 589 O ASP A 39 9.923 -0.887 7.470 1.00 0.00 O ATOM 590 CB ASP A 39 12.165 1.659 8.065 1.00 0.00 C ATOM 591 CG ASP A 39 13.547 2.210 7.772 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.172 1.752 6.793 1.00 0.00 O ATOM 593 OD2 ASP A 39 14.003 3.098 8.522 1.00 0.00 O ATOM 0 H ASP A 39 11.494 0.237 5.766 1.00 0.00 H new ATOM 0 HA ASP A 39 12.851 -0.360 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.430 2.190 7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.916 1.847 9.109 1.00 0.00 H new ATOM 598 N LYS A 40 10.457 -0.238 9.557 1.00 0.00 N ATOM 599 CA LYS A 40 9.204 -0.702 10.140 1.00 0.00 C ATOM 600 C LYS A 40 8.011 -0.016 9.484 1.00 0.00 C ATOM 601 O LYS A 40 6.889 -0.518 9.534 1.00 0.00 O ATOM 602 CB LYS A 40 9.191 -0.439 11.648 1.00 0.00 C ATOM 603 CG LYS A 40 10.106 -1.362 12.434 1.00 0.00 C ATOM 604 CD LYS A 40 10.388 -0.816 13.824 1.00 0.00 C ATOM 605 CE LYS A 40 9.153 -0.879 14.709 1.00 0.00 C ATOM 606 NZ LYS A 40 9.446 -0.443 16.102 1.00 0.00 N ATOM 0 H LYS A 40 11.101 0.187 10.224 1.00 0.00 H new ATOM 0 HA LYS A 40 9.126 -1.775 9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.487 0.594 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.172 -0.549 12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.648 -2.348 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.045 -1.491 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.195 -1.386 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.730 0.216 13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.372 -0.247 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.767 -1.898 14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.579 -0.500 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.173 -1.062 16.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.791 0.538 16.093 1.00 0.00 H new ATOM 620 N ASN A 41 8.262 1.135 8.867 1.00 0.00 N ATOM 621 CA ASN A 41 7.207 1.890 8.199 1.00 0.00 C ATOM 622 C ASN A 41 7.490 2.014 6.705 1.00 0.00 C ATOM 623 O ASN A 41 6.576 1.948 5.883 1.00 0.00 O ATOM 624 CB ASN A 41 7.075 3.281 8.821 1.00 0.00 C ATOM 625 CG ASN A 41 6.088 3.308 9.973 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.949 2.862 9.838 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.523 3.834 11.112 1.00 0.00 N ATOM 0 H ASN A 41 9.186 1.565 8.816 1.00 0.00 H new ATOM 0 HA ASN A 41 6.269 1.350 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.051 3.612 9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.756 3.989 8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.904 3.880 11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.476 4.192 11.177 1.00 0.00 H new ATOM 634 N TRP A 42 8.760 2.192 6.362 1.00 0.00 N ATOM 635 CA TRP A 42 9.164 2.325 4.966 1.00 0.00 C ATOM 636 C TRP A 42 9.285 0.958 4.303 1.00 0.00 C ATOM 637 O TRP A 42 10.053 0.105 4.751 1.00 0.00 O ATOM 638 CB TRP A 42 10.494 3.074 4.867 1.00 0.00 C ATOM 639 CG TRP A 42 10.399 4.511 5.281 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.838 5.057 6.453 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.826 5.584 4.526 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.573 6.405 6.472 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.954 6.754 5.301 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.220 5.672 3.270 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.497 7.992 4.860 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.767 6.902 2.833 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.907 8.049 3.626 1.00 0.00 C ATOM 0 H TRP A 42 9.528 2.248 7.031 1.00 0.00 H new ATOM 0 HA TRP A 42 8.396 2.895 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.233 2.572 5.491 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.856 3.022 3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.322 4.510 7.248 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.800 7.043 7.235 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.108 4.794 2.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.604 8.877 5.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.297 6.981 1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.542 8.996 3.256 1.00 0.00 H new ATOM 658 N LEU A 43 8.524 0.754 3.233 1.00 0.00 N ATOM 659 CA LEU A 43 8.547 -0.511 2.507 1.00 0.00 C ATOM 660 C LEU A 43 9.389 -0.396 1.240 1.00 0.00 C ATOM 661 O LEU A 43 9.912 0.672 0.926 1.00 0.00 O ATOM 662 CB LEU A 43 7.124 -0.942 2.150 1.00 0.00 C ATOM 663 CG LEU A 43 6.235 -1.360 3.322 1.00 0.00 C ATOM 664 CD1 LEU A 43 6.695 -2.692 3.892 1.00 0.00 C ATOM 665 CD2 LEU A 43 6.237 -0.287 4.401 1.00 0.00 C ATOM 0 H LEU A 43 7.883 1.449 2.849 1.00 0.00 H new ATOM 0 HA LEU A 43 8.997 -1.265 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.637 -0.119 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.183 -1.775 1.450 1.00 0.00 H new ATOM 0 HG LEU A 43 5.215 -1.478 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.051 -2.973 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.642 -3.457 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.723 -2.602 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.599 -0.601 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.254 -0.138 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.859 0.647 3.986 1.00 0.00 H new ATOM 677 N GLU A 44 9.513 -1.504 0.516 1.00 0.00 N ATOM 678 CA GLU A 44 10.291 -1.527 -0.718 1.00 0.00 C ATOM 679 C GLU A 44 9.688 -2.504 -1.723 1.00 0.00 C ATOM 680 O GLU A 44 9.378 -3.646 -1.385 1.00 0.00 O ATOM 681 CB GLU A 44 11.743 -1.910 -0.425 1.00 0.00 C ATOM 682 CG GLU A 44 12.685 -1.660 -1.590 1.00 0.00 C ATOM 683 CD GLU A 44 12.803 -2.858 -2.512 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.754 -3.379 -2.946 1.00 0.00 O ATOM 685 OE2 GLU A 44 13.944 -3.275 -2.800 1.00 0.00 O ATOM 0 H GLU A 44 9.085 -2.397 0.762 1.00 0.00 H new ATOM 0 HA GLU A 44 10.267 -0.527 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.091 -1.346 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.784 -2.965 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.332 -0.801 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.672 -1.403 -1.206 1.00 0.00 H new ATOM 692 N GLY A 45 9.525 -2.046 -2.960 1.00 0.00 N ATOM 693 CA GLY A 45 8.959 -2.891 -3.996 1.00 0.00 C ATOM 694 C GLY A 45 9.321 -2.420 -5.390 1.00 0.00 C ATOM 695 O GLY A 45 10.351 -1.775 -5.586 1.00 0.00 O ATOM 0 H GLY A 45 9.775 -1.105 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.310 -3.914 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.874 -2.910 -3.893 1.00 0.00 H new ATOM 699 N GLU A 46 8.474 -2.745 -6.361 1.00 0.00 N ATOM 700 CA GLU A 46 8.712 -2.352 -7.745 1.00 0.00 C ATOM 701 C GLU A 46 7.409 -2.340 -8.540 1.00 0.00 C ATOM 702 O GLU A 46 6.609 -3.272 -8.455 1.00 0.00 O ATOM 703 CB GLU A 46 9.715 -3.303 -8.403 1.00 0.00 C ATOM 704 CG GLU A 46 11.161 -2.864 -8.250 1.00 0.00 C ATOM 705 CD GLU A 46 11.810 -3.420 -6.997 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.530 -4.586 -6.651 1.00 0.00 O ATOM 707 OE2 GLU A 46 12.599 -2.688 -6.364 1.00 0.00 O ATOM 0 H GLU A 46 7.617 -3.279 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 46 9.125 -1.343 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.598 -4.297 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.480 -3.388 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.729 -3.187 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.206 -1.775 -8.225 1.00 0.00 H new ATOM 798 N GLY A 52 10.918 2.133 -6.460 1.00 0.00 N ATOM 799 CA GLY A 52 11.403 2.865 -5.305 1.00 0.00 C ATOM 800 C GLY A 52 10.836 2.335 -4.003 1.00 0.00 C ATOM 801 O GLY A 52 10.581 1.138 -3.871 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.491 2.809 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.141 3.918 -5.410 1.00 0.00 H new ATOM 805 N ILE A 53 10.640 3.228 -3.038 1.00 0.00 N ATOM 806 CA ILE A 53 10.101 2.843 -1.740 1.00 0.00 C ATOM 807 C ILE A 53 8.796 3.576 -1.447 1.00 0.00 C ATOM 808 O ILE A 53 8.475 4.576 -2.091 1.00 0.00 O ATOM 809 CB ILE A 53 11.103 3.130 -0.606 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.398 4.629 -0.524 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.387 2.343 -0.824 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.297 5.005 0.633 1.00 0.00 C ATOM 0 H ILE A 53 10.847 4.223 -3.131 1.00 0.00 H new ATOM 0 HA ILE A 53 9.911 1.771 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 53 10.661 2.814 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.864 4.951 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.457 5.172 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.086 2.556 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.162 1.277 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.834 2.632 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.464 6.082 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.824 4.714 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.252 4.490 0.534 1.00 0.00 H new ATOM 824 N PHE A 54 8.048 3.075 -0.470 1.00 0.00 N ATOM 825 CA PHE A 54 6.778 3.683 -0.090 1.00 0.00 C ATOM 826 C PHE A 54 6.412 3.325 1.347 1.00 0.00 C ATOM 827 O PHE A 54 6.720 2.240 1.842 1.00 0.00 O ATOM 828 CB PHE A 54 5.667 3.228 -1.039 1.00 0.00 C ATOM 829 CG PHE A 54 5.373 1.758 -0.957 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.572 1.254 0.055 1.00 0.00 C ATOM 831 CD2 PHE A 54 5.897 0.879 -1.892 1.00 0.00 C ATOM 832 CE1 PHE A 54 4.299 -0.099 0.134 1.00 0.00 C ATOM 833 CE2 PHE A 54 5.626 -0.474 -1.819 1.00 0.00 C ATOM 834 CZ PHE A 54 4.828 -0.964 -0.804 1.00 0.00 C ATOM 0 H PHE A 54 8.299 2.249 0.073 1.00 0.00 H new ATOM 0 HA PHE A 54 6.886 4.765 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.758 3.785 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.949 3.477 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.156 1.926 0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.524 1.256 -2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.673 -0.479 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.038 -1.148 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.618 -2.022 -0.744 1.00 0.00 H new ATOM 844 N PRO A 55 5.739 4.259 2.035 1.00 0.00 N ATOM 845 CA PRO A 55 5.316 4.066 3.426 1.00 0.00 C ATOM 846 C PRO A 55 4.205 3.029 3.556 1.00 0.00 C ATOM 847 O PRO A 55 3.400 2.851 2.642 1.00 0.00 O ATOM 848 CB PRO A 55 4.807 5.450 3.837 1.00 0.00 C ATOM 849 CG PRO A 55 4.397 6.097 2.559 1.00 0.00 C ATOM 850 CD PRO A 55 5.338 5.574 1.509 1.00 0.00 C ATOM 0 HA PRO A 55 6.127 3.692 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.968 5.374 4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.585 6.025 4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.363 5.854 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.460 7.183 2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.849 5.487 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.197 6.232 1.375 1.00 0.00 H new ATOM 858 N ALA A 56 4.168 2.348 4.696 1.00 0.00 N ATOM 859 CA ALA A 56 3.155 1.331 4.946 1.00 0.00 C ATOM 860 C ALA A 56 1.798 1.967 5.232 1.00 0.00 C ATOM 861 O ALA A 56 0.794 1.612 4.616 1.00 0.00 O ATOM 862 CB ALA A 56 3.576 0.439 6.104 1.00 0.00 C ATOM 0 H ALA A 56 4.828 2.482 5.462 1.00 0.00 H new ATOM 0 HA ALA A 56 3.060 0.720 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.809 -0.316 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.519 -0.051 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.702 1.044 7.002 1.00 0.00 H new ATOM 868 N ASN A 57 1.777 2.906 6.172 1.00 0.00 N ATOM 869 CA ASN A 57 0.542 3.590 6.541 1.00 0.00 C ATOM 870 C ASN A 57 -0.281 3.933 5.302 1.00 0.00 C ATOM 871 O ASN A 57 -1.438 3.531 5.183 1.00 0.00 O ATOM 872 CB ASN A 57 0.856 4.865 7.327 1.00 0.00 C ATOM 873 CG ASN A 57 -0.351 5.773 7.461 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.478 5.306 7.625 1.00 0.00 O ATOM 875 ND2 ASN A 57 -0.119 7.079 7.392 1.00 0.00 N ATOM 0 H ASN A 57 2.600 3.211 6.692 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.042 2.918 7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.218 4.597 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.661 5.406 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.892 7.739 7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.832 7.422 7.255 1.00 0.00 H new ATOM 882 N TYR A 58 0.325 4.676 4.384 1.00 0.00 N ATOM 883 CA TYR A 58 -0.351 5.075 3.155 1.00 0.00 C ATOM 884 C TYR A 58 -1.207 3.935 2.610 1.00 0.00 C ATOM 885 O TYR A 58 -2.272 4.162 2.036 1.00 0.00 O ATOM 886 CB TYR A 58 0.671 5.509 2.103 1.00 0.00 C ATOM 887 CG TYR A 58 1.010 6.981 2.159 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.768 7.500 3.201 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.571 7.853 1.170 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.080 8.844 3.257 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.879 9.199 1.217 1.00 0.00 C ATOM 892 CZ TYR A 58 1.634 9.690 2.263 1.00 0.00 C ATOM 893 OH TYR A 58 1.942 11.030 2.314 1.00 0.00 O ATOM 0 H TYR A 58 1.284 5.015 4.467 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.003 5.917 3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.584 4.929 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.283 5.272 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.119 6.841 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.021 7.472 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.670 9.231 4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.531 9.863 0.440 1.00 0.00 H new ATOM 0 HH TYR A 58 1.553 11.485 1.538 1.00 0.00 H new ATOM 903 N VAL A 59 -0.732 2.707 2.795 1.00 0.00 N ATOM 904 CA VAL A 59 -1.453 1.530 2.324 1.00 0.00 C ATOM 905 C VAL A 59 -1.829 0.616 3.485 1.00 0.00 C ATOM 906 O VAL A 59 -1.492 0.888 4.636 1.00 0.00 O ATOM 907 CB VAL A 59 -0.619 0.732 1.305 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.183 1.626 0.154 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.586 0.097 1.984 1.00 0.00 C ATOM 0 H VAL A 59 0.148 2.502 3.267 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.361 1.887 1.838 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.241 -0.066 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.405 1.044 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.063 2.028 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.422 2.447 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.164 -0.463 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.211 0.877 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.247 -0.578 2.770 1.00 0.00 H new ATOM 919 N GLU A 60 -2.529 -0.471 3.172 1.00 0.00 N ATOM 920 CA GLU A 60 -2.951 -1.426 4.190 1.00 0.00 C ATOM 921 C GLU A 60 -3.165 -2.809 3.583 1.00 0.00 C ATOM 922 O GLU A 60 -3.904 -2.965 2.611 1.00 0.00 O ATOM 923 CB GLU A 60 -4.238 -0.949 4.866 1.00 0.00 C ATOM 924 CG GLU A 60 -4.843 -1.972 5.812 1.00 0.00 C ATOM 925 CD GLU A 60 -6.325 -1.747 6.044 1.00 0.00 C ATOM 926 OE1 GLU A 60 -7.075 -1.670 5.048 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.735 -1.649 7.219 1.00 0.00 O ATOM 0 H GLU A 60 -2.815 -0.711 2.223 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.160 -1.495 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.030 -0.033 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.970 -0.698 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.690 -2.972 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.319 -1.932 6.767 1.00 0.00 H new ATOM 934 N VAL A 61 -2.511 -3.811 4.162 1.00 0.00 N ATOM 935 CA VAL A 61 -2.629 -5.182 3.680 1.00 0.00 C ATOM 936 C VAL A 61 -4.085 -5.633 3.657 1.00 0.00 C ATOM 937 O VAL A 61 -4.699 -5.841 4.705 1.00 0.00 O ATOM 938 CB VAL A 61 -1.815 -6.156 4.552 1.00 0.00 C ATOM 939 CG1 VAL A 61 -1.995 -7.586 4.065 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.345 -5.766 4.555 1.00 0.00 C ATOM 0 H VAL A 61 -1.894 -3.699 4.966 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.231 -5.196 2.665 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.185 -6.097 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.413 -8.260 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.049 -7.859 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.653 -7.665 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.216 -6.465 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.041 -5.795 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.237 -4.758 4.955 1.00 0.00 H new