USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 366 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 Set 1.1: A 43 ASN : amide:sc= 0.573! C(o=1.9!,f=-12!) USER MOD Set 1.2: A 46 SER OG : rot 100:sc= 1.29 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.966 K(o=-0.97,f=-4.4!) USER MOD Single : A 15 TYR OH : rot 130:sc= -2.28 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 34 GLN : amide:sc=-0.00773 K(o=-0.0077,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.0332 K(o=-0.033,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 131:sc= -0.119 (180deg=-1) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 13.675 1.948 4.256 1.00 0.00 N ATOM 83 CA SER A 7 14.551 1.693 3.076 1.00 0.00 C ATOM 84 C SER A 7 14.082 0.441 2.330 1.00 0.00 C ATOM 85 O SER A 7 13.810 -0.583 2.925 1.00 0.00 O ATOM 86 CB SER A 7 15.947 1.476 3.660 1.00 0.00 C ATOM 87 OG SER A 7 16.781 0.870 2.682 1.00 0.00 O ATOM 0 HA SER A 7 14.531 2.515 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.372 2.428 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.888 0.843 4.546 1.00 0.00 H new ATOM 0 HG SER A 7 17.676 0.732 3.056 1.00 0.00 H new ATOM 93 N TYR A 8 13.984 0.514 1.030 1.00 0.00 N ATOM 94 CA TYR A 8 13.533 -0.672 0.248 1.00 0.00 C ATOM 95 C TYR A 8 14.279 -1.924 0.714 1.00 0.00 C ATOM 96 O TYR A 8 13.688 -2.963 0.934 1.00 0.00 O ATOM 97 CB TYR A 8 13.881 -0.343 -1.206 1.00 0.00 C ATOM 98 CG TYR A 8 13.038 0.818 -1.695 1.00 0.00 C ATOM 99 CD1 TYR A 8 12.009 1.338 -0.895 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.287 1.374 -2.956 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.236 2.410 -1.355 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.512 2.446 -3.416 1.00 0.00 C ATOM 103 CZ TYR A 8 11.487 2.963 -2.616 1.00 0.00 C ATOM 104 OH TYR A 8 10.725 4.020 -3.070 1.00 0.00 O ATOM 0 H TYR A 8 14.197 1.344 0.476 1.00 0.00 H new ATOM 0 HA TYR A 8 12.469 -0.873 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.939 -0.094 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.710 -1.217 -1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.813 0.910 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.078 0.976 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.446 2.811 -0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 8 12.706 2.874 -4.389 1.00 0.00 H new ATOM 0 HH TYR A 8 11.031 4.284 -3.963 1.00 0.00 H new ATOM 114 N ALA A 9 15.573 -1.836 0.868 1.00 0.00 N ATOM 115 CA ALA A 9 16.350 -3.024 1.325 1.00 0.00 C ATOM 116 C ALA A 9 15.606 -3.733 2.458 1.00 0.00 C ATOM 117 O ALA A 9 15.581 -4.945 2.538 1.00 0.00 O ATOM 118 CB ALA A 9 17.680 -2.460 1.823 1.00 0.00 C ATOM 0 H ALA A 9 16.124 -0.995 0.698 1.00 0.00 H new ATOM 0 HA ALA A 9 16.493 -3.757 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.311 -3.275 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.183 -1.940 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.496 -1.762 2.640 1.00 0.00 H new ATOM 124 N GLU A 10 14.993 -2.983 3.330 1.00 0.00 N ATOM 125 CA GLU A 10 14.242 -3.608 4.457 1.00 0.00 C ATOM 126 C GLU A 10 12.803 -3.898 4.023 1.00 0.00 C ATOM 127 O GLU A 10 12.165 -4.805 4.519 1.00 0.00 O ATOM 128 CB GLU A 10 14.268 -2.568 5.577 1.00 0.00 C ATOM 129 CG GLU A 10 13.660 -3.171 6.845 1.00 0.00 C ATOM 130 CD GLU A 10 13.418 -2.064 7.873 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.766 -0.931 7.586 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.889 -2.368 8.930 1.00 0.00 O ATOM 0 H GLU A 10 14.979 -1.963 3.312 1.00 0.00 H new ATOM 0 HA GLU A 10 14.678 -4.555 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.293 -2.249 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.708 -1.682 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.722 -3.673 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.329 -3.925 7.258 1.00 0.00 H new ATOM 139 N LEU A 11 12.295 -3.136 3.095 1.00 0.00 N ATOM 140 CA LEU A 11 10.903 -3.366 2.615 1.00 0.00 C ATOM 141 C LEU A 11 10.878 -4.567 1.673 1.00 0.00 C ATOM 142 O LEU A 11 10.257 -5.575 1.946 1.00 0.00 O ATOM 143 CB LEU A 11 10.525 -2.087 1.868 1.00 0.00 C ATOM 144 CG LEU A 11 9.006 -1.906 1.902 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.640 -0.871 2.968 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.521 -1.422 0.534 1.00 0.00 C ATOM 0 H LEU A 11 12.785 -2.362 2.647 1.00 0.00 H new ATOM 0 HA LEU A 11 10.208 -3.578 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.015 -1.228 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.873 -2.140 0.836 1.00 0.00 H new ATOM 0 HG LEU A 11 8.531 -2.857 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.558 -0.741 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.987 -1.214 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.114 0.081 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.439 -1.293 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.995 -0.470 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.783 -2.158 -0.226 1.00 0.00 H new ATOM 158 N CYS A 12 11.564 -4.470 0.571 1.00 0.00 N ATOM 159 CA CYS A 12 11.597 -5.609 -0.387 1.00 0.00 C ATOM 160 C CYS A 12 12.321 -6.794 0.252 1.00 0.00 C ATOM 161 O CYS A 12 12.315 -7.893 -0.264 1.00 0.00 O ATOM 162 CB CYS A 12 12.368 -5.092 -1.599 1.00 0.00 C ATOM 163 SG CYS A 12 11.214 -4.304 -2.748 1.00 0.00 S ATOM 0 H CYS A 12 12.104 -3.651 0.291 1.00 0.00 H new ATOM 0 HA CYS A 12 10.600 -5.951 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.129 -4.379 -1.283 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.887 -5.914 -2.093 1.00 0.00 H new ATOM 168 N ASN A 13 12.942 -6.576 1.380 1.00 0.00 N ATOM 169 CA ASN A 13 13.661 -7.685 2.065 1.00 0.00 C ATOM 170 C ASN A 13 12.811 -8.954 2.028 1.00 0.00 C ATOM 171 O ASN A 13 13.272 -10.014 1.658 1.00 0.00 O ATOM 172 CB ASN A 13 13.838 -7.201 3.503 1.00 0.00 C ATOM 173 CG ASN A 13 14.887 -8.064 4.209 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.278 -9.098 3.705 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.361 -7.679 5.362 1.00 0.00 N ATOM 0 H ASN A 13 12.982 -5.675 1.856 1.00 0.00 H new ATOM 0 HA ASN A 13 14.614 -7.924 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.147 -6.156 3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.889 -7.256 4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.060 -8.246 5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.032 -6.811 5.784 1.00 0.00 H new ATOM 182 N GLU A 14 11.570 -8.851 2.403 1.00 0.00 N ATOM 183 CA GLU A 14 10.689 -10.053 2.382 1.00 0.00 C ATOM 184 C GLU A 14 10.850 -10.798 1.054 1.00 0.00 C ATOM 185 O GLU A 14 10.591 -11.981 0.959 1.00 0.00 O ATOM 186 CB GLU A 14 9.268 -9.505 2.522 1.00 0.00 C ATOM 187 CG GLU A 14 8.899 -9.414 4.003 1.00 0.00 C ATOM 188 CD GLU A 14 7.437 -8.984 4.139 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.740 -9.002 3.138 1.00 0.00 O ATOM 190 OE2 GLU A 14 7.039 -8.644 5.241 1.00 0.00 O ATOM 0 H GLU A 14 11.126 -7.990 2.723 1.00 0.00 H new ATOM 0 HA GLU A 14 10.932 -10.760 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.199 -8.521 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.564 -10.153 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.052 -10.379 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.548 -8.698 4.507 1.00 0.00 H new ATOM 197 N TYR A 15 11.276 -10.113 0.025 1.00 0.00 N ATOM 198 CA TYR A 15 11.452 -10.783 -1.295 1.00 0.00 C ATOM 199 C TYR A 15 12.890 -11.287 -1.451 1.00 0.00 C ATOM 200 O TYR A 15 13.192 -12.048 -2.349 1.00 0.00 O ATOM 201 CB TYR A 15 11.142 -9.702 -2.330 1.00 0.00 C ATOM 202 CG TYR A 15 9.688 -9.315 -2.232 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.717 -10.065 -2.905 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.310 -8.208 -1.465 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.368 -9.707 -2.808 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.962 -7.849 -1.369 1.00 0.00 C ATOM 207 CZ TYR A 15 6.990 -8.598 -2.042 1.00 0.00 C ATOM 208 OH TYR A 15 5.658 -8.245 -1.947 1.00 0.00 O ATOM 0 H TYR A 15 11.509 -9.120 0.043 1.00 0.00 H new ATOM 0 HA TYR A 15 10.803 -11.652 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.774 -8.830 -2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.365 -10.068 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.009 -10.919 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.060 -7.630 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.618 -10.287 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.671 -6.994 -0.776 1.00 0.00 H new ATOM 0 HH TYR A 15 5.418 -8.123 -1.005 1.00 0.00 H new ATOM 218 N ARG A 16 13.779 -10.880 -0.586 1.00 0.00 N ATOM 219 CA ARG A 16 15.189 -11.356 -0.699 1.00 0.00 C ATOM 220 C ARG A 16 15.231 -12.878 -0.575 1.00 0.00 C ATOM 221 O ARG A 16 16.100 -13.531 -1.117 1.00 0.00 O ATOM 222 CB ARG A 16 15.938 -10.698 0.457 1.00 0.00 C ATOM 223 CG ARG A 16 16.545 -9.382 -0.025 1.00 0.00 C ATOM 224 CD ARG A 16 17.217 -8.672 1.147 1.00 0.00 C ATOM 225 NE ARG A 16 16.868 -7.234 0.970 1.00 0.00 N ATOM 226 CZ ARG A 16 17.756 -6.311 1.221 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.545 -5.890 0.271 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.855 -5.810 2.422 1.00 0.00 N ATOM 0 H ARG A 16 13.593 -10.243 0.189 1.00 0.00 H new ATOM 0 HA ARG A 16 15.637 -11.097 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.259 -10.516 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.721 -11.361 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.272 -9.572 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.769 -8.747 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.854 -9.053 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.297 -8.822 1.134 1.00 0.00 H new ATOM 0 HE ARG A 16 15.935 -6.971 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.468 -6.282 -0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.239 -5.169 0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.238 -6.140 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.549 -5.089 2.618 1.00 0.00 H new ATOM 242 N LYS A 17 14.284 -13.450 0.116 1.00 0.00 N ATOM 243 CA LYS A 17 14.257 -14.932 0.249 1.00 0.00 C ATOM 244 C LYS A 17 13.708 -15.538 -1.044 1.00 0.00 C ATOM 245 O LYS A 17 13.582 -16.738 -1.182 1.00 0.00 O ATOM 246 CB LYS A 17 13.318 -15.215 1.424 1.00 0.00 C ATOM 247 CG LYS A 17 13.626 -14.252 2.573 1.00 0.00 C ATOM 248 CD LYS A 17 12.968 -14.759 3.857 1.00 0.00 C ATOM 249 CE LYS A 17 11.558 -14.177 3.973 1.00 0.00 C ATOM 250 NZ LYS A 17 10.840 -15.097 4.900 1.00 0.00 N ATOM 0 H LYS A 17 13.530 -12.956 0.593 1.00 0.00 H new ATOM 0 HA LYS A 17 15.244 -15.361 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.281 -15.101 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.438 -16.246 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.704 -14.169 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.258 -13.254 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.924 -15.848 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.564 -14.470 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.581 -13.160 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.067 -14.133 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.863 -14.765 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.829 -16.056 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.326 -15.113 5.819 1.00 0.00 H new ATOM 264 N LEU A 18 13.385 -14.702 -1.998 1.00 0.00 N ATOM 265 CA LEU A 18 12.849 -15.198 -3.291 1.00 0.00 C ATOM 266 C LEU A 18 13.881 -14.951 -4.395 1.00 0.00 C ATOM 267 O LEU A 18 13.856 -15.576 -5.437 1.00 0.00 O ATOM 268 CB LEU A 18 11.586 -14.366 -3.534 1.00 0.00 C ATOM 269 CG LEU A 18 10.550 -14.660 -2.441 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.976 -14.006 -1.128 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.191 -14.096 -2.864 1.00 0.00 C ATOM 0 H LEU A 18 13.473 -13.688 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 18 12.633 -16.266 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.834 -13.305 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.170 -14.598 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 18 10.478 -15.738 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.235 -14.220 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.944 -14.403 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.054 -12.928 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.454 -14.304 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.273 -13.019 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.878 -14.563 -3.797 1.00 0.00 H new ATOM 283 N VAL A 19 14.796 -14.044 -4.166 1.00 0.00 N ATOM 284 CA VAL A 19 15.839 -13.753 -5.191 1.00 0.00 C ATOM 285 C VAL A 19 16.979 -14.771 -5.077 1.00 0.00 C ATOM 286 O VAL A 19 17.628 -14.872 -4.055 1.00 0.00 O ATOM 287 CB VAL A 19 16.352 -12.347 -4.862 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.155 -11.810 -6.049 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.172 -11.412 -4.582 1.00 0.00 C ATOM 0 H VAL A 19 14.865 -13.492 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 19 15.445 -13.813 -6.206 1.00 0.00 H new ATOM 0 HB VAL A 19 16.988 -12.395 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.521 -10.810 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.000 -12.470 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.516 -11.768 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.545 -10.415 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.530 -11.363 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.600 -11.792 -3.736 1.00 0.00 H new ATOM 299 N ARG A 20 17.229 -15.524 -6.112 1.00 0.00 N ATOM 300 CA ARG A 20 18.330 -16.529 -6.049 1.00 0.00 C ATOM 301 C ARG A 20 19.657 -15.887 -6.473 1.00 0.00 C ATOM 302 O ARG A 20 20.327 -15.253 -5.682 1.00 0.00 O ATOM 303 CB ARG A 20 17.919 -17.629 -7.030 1.00 0.00 C ATOM 304 CG ARG A 20 16.730 -18.403 -6.459 1.00 0.00 C ATOM 305 CD ARG A 20 15.427 -17.779 -6.961 1.00 0.00 C ATOM 306 NE ARG A 20 14.349 -18.632 -6.386 1.00 0.00 N ATOM 307 CZ ARG A 20 14.315 -19.909 -6.655 1.00 0.00 C ATOM 308 NH1 ARG A 20 13.599 -20.345 -7.655 1.00 0.00 N ATOM 309 NH2 ARG A 20 14.996 -20.748 -5.925 1.00 0.00 N ATOM 0 H ARG A 20 16.721 -15.488 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 20 18.478 -16.920 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.654 -17.192 -7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.756 -18.305 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.785 -19.449 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.759 -18.383 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.331 -16.745 -6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.386 -17.771 -8.050 1.00 0.00 H new ATOM 0 HE ARG A 20 13.638 -18.218 -5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.067 -19.688 -8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.572 -21.343 -7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.555 -20.407 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.969 -21.746 -6.136 1.00 0.00 H new ATOM 323 N ASN A 21 20.041 -16.040 -7.712 1.00 0.00 N ATOM 324 CA ASN A 21 21.320 -15.431 -8.176 1.00 0.00 C ATOM 325 C ASN A 21 21.034 -14.378 -9.248 1.00 0.00 C ATOM 326 O ASN A 21 21.643 -14.363 -10.299 1.00 0.00 O ATOM 327 CB ASN A 21 22.125 -16.591 -8.763 1.00 0.00 C ATOM 328 CG ASN A 21 22.513 -17.560 -7.645 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.239 -17.201 -6.738 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.057 -18.782 -7.670 1.00 0.00 N ATOM 0 H ASN A 21 19.525 -16.560 -8.422 1.00 0.00 H new ATOM 0 HA ASN A 21 21.860 -14.933 -7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.537 -17.109 -9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.020 -16.213 -9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.309 -19.436 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.448 -19.084 -8.431 1.00 0.00 H new ATOM 337 N GLY A 22 20.104 -13.501 -8.990 1.00 0.00 N ATOM 338 CA GLY A 22 19.766 -12.452 -9.991 1.00 0.00 C ATOM 339 C GLY A 22 18.369 -12.727 -10.552 1.00 0.00 C ATOM 340 O GLY A 22 18.002 -12.236 -11.600 1.00 0.00 O ATOM 0 H GLY A 22 19.562 -13.466 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.798 -11.466 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.501 -12.450 -10.796 1.00 0.00 H new ATOM 344 N LYS A 23 17.589 -13.510 -9.858 1.00 0.00 N ATOM 345 CA LYS A 23 16.216 -13.821 -10.347 1.00 0.00 C ATOM 346 C LYS A 23 15.216 -13.740 -9.190 1.00 0.00 C ATOM 347 O LYS A 23 15.359 -14.406 -8.185 1.00 0.00 O ATOM 348 CB LYS A 23 16.295 -15.252 -10.882 1.00 0.00 C ATOM 349 CG LYS A 23 17.566 -15.417 -11.719 1.00 0.00 C ATOM 350 CD LYS A 23 17.609 -16.830 -12.305 1.00 0.00 C ATOM 351 CE LYS A 23 18.937 -17.036 -13.038 1.00 0.00 C ATOM 352 NZ LYS A 23 19.452 -18.342 -12.535 1.00 0.00 N ATOM 0 H LYS A 23 17.844 -13.948 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 23 15.883 -13.119 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.298 -15.961 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.417 -15.473 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.585 -14.678 -12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.447 -15.241 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.501 -17.569 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.775 -16.976 -12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.793 -17.057 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.636 -16.227 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.362 -18.555 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.585 -18.289 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.769 -19.094 -12.758 1.00 0.00 H new ATOM 366 N LEU A 24 14.203 -12.929 -9.326 1.00 0.00 N ATOM 367 CA LEU A 24 13.196 -12.807 -8.235 1.00 0.00 C ATOM 368 C LEU A 24 11.993 -13.709 -8.525 1.00 0.00 C ATOM 369 O LEU A 24 11.415 -13.665 -9.593 1.00 0.00 O ATOM 370 CB LEU A 24 12.776 -11.337 -8.246 1.00 0.00 C ATOM 371 CG LEU A 24 12.580 -10.842 -6.810 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.840 -9.504 -6.822 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.751 -11.858 -6.029 1.00 0.00 C ATOM 0 H LEU A 24 14.029 -12.346 -10.145 1.00 0.00 H new ATOM 0 HA LEU A 24 13.596 -13.110 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.535 -10.736 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.851 -11.218 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 24 13.555 -10.719 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.702 -9.155 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.423 -8.771 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.867 -9.631 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.612 -11.505 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.779 -11.979 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.270 -12.817 -6.015 1.00 0.00 H new ATOM 385 N ALA A 25 11.613 -14.526 -7.582 1.00 0.00 N ATOM 386 CA ALA A 25 10.447 -15.430 -7.805 1.00 0.00 C ATOM 387 C ALA A 25 9.229 -14.919 -7.031 1.00 0.00 C ATOM 388 O ALA A 25 9.324 -14.559 -5.875 1.00 0.00 O ATOM 389 CB ALA A 25 10.893 -16.789 -7.266 1.00 0.00 C ATOM 0 H ALA A 25 12.058 -14.608 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 25 10.158 -15.483 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.088 -17.513 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.774 -17.126 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.136 -16.699 -6.207 1.00 0.00 H new ATOM 395 N CYS A 26 8.086 -14.884 -7.659 1.00 0.00 N ATOM 396 CA CYS A 26 6.864 -14.397 -6.957 1.00 0.00 C ATOM 397 C CYS A 26 5.609 -14.974 -7.616 1.00 0.00 C ATOM 398 O CYS A 26 5.687 -15.783 -8.520 1.00 0.00 O ATOM 399 CB CYS A 26 6.901 -12.876 -7.109 1.00 0.00 C ATOM 400 SG CYS A 26 6.933 -12.108 -5.470 1.00 0.00 S ATOM 0 H CYS A 26 7.945 -15.171 -8.627 1.00 0.00 H new ATOM 0 HA CYS A 26 6.839 -14.701 -5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.781 -12.578 -7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.029 -12.534 -7.666 1.00 0.00 H new ATOM 405 N THR A 27 4.451 -14.566 -7.171 1.00 0.00 N ATOM 406 CA THR A 27 3.193 -15.094 -7.773 1.00 0.00 C ATOM 407 C THR A 27 2.481 -13.993 -8.566 1.00 0.00 C ATOM 408 O THR A 27 2.947 -12.874 -8.648 1.00 0.00 O ATOM 409 CB THR A 27 2.338 -15.535 -6.584 1.00 0.00 C ATOM 410 OG1 THR A 27 2.402 -14.547 -5.565 1.00 0.00 O ATOM 411 CG2 THR A 27 2.862 -16.866 -6.042 1.00 0.00 C ATOM 0 H THR A 27 4.322 -13.891 -6.418 1.00 0.00 H new ATOM 0 HA THR A 27 3.381 -15.914 -8.466 1.00 0.00 H new ATOM 0 HB THR A 27 1.304 -15.659 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.853 -14.827 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.252 -17.179 -5.195 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.812 -17.623 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.896 -16.746 -5.720 1.00 0.00 H new ATOM 419 N ARG A 28 1.356 -14.303 -9.149 1.00 0.00 N ATOM 420 CA ARG A 28 0.614 -13.275 -9.935 1.00 0.00 C ATOM 421 C ARG A 28 -0.286 -12.448 -9.012 1.00 0.00 C ATOM 422 O ARG A 28 -1.466 -12.296 -9.255 1.00 0.00 O ATOM 423 CB ARG A 28 -0.228 -14.072 -10.931 1.00 0.00 C ATOM 424 CG ARG A 28 0.695 -14.841 -11.880 1.00 0.00 C ATOM 425 CD ARG A 28 -0.149 -15.635 -12.879 1.00 0.00 C ATOM 426 NE ARG A 28 -0.805 -14.603 -13.730 1.00 0.00 N ATOM 427 CZ ARG A 28 -2.058 -14.737 -14.069 1.00 0.00 C ATOM 428 NH1 ARG A 28 -2.963 -14.945 -13.152 1.00 0.00 N ATOM 429 NH2 ARG A 28 -2.407 -14.663 -15.324 1.00 0.00 N ATOM 0 H ARG A 28 0.918 -15.223 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 28 1.284 -12.575 -10.434 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.880 -14.765 -10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.872 -13.400 -11.498 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.349 -14.148 -12.410 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.337 -15.515 -11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.471 -16.304 -13.476 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.887 -16.254 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.275 -13.792 -14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.691 -15.003 -12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.942 -15.050 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.700 -14.500 -16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.387 -14.768 -15.588 1.00 0.00 H new ATOM 443 N GLU A 29 0.263 -11.916 -7.954 1.00 0.00 N ATOM 444 CA GLU A 29 -0.563 -11.101 -7.016 1.00 0.00 C ATOM 445 C GLU A 29 -1.221 -9.939 -7.764 1.00 0.00 C ATOM 446 O GLU A 29 -0.625 -9.325 -8.626 1.00 0.00 O ATOM 447 CB GLU A 29 0.424 -10.576 -5.974 1.00 0.00 C ATOM 448 CG GLU A 29 -0.325 -9.728 -4.945 1.00 0.00 C ATOM 449 CD GLU A 29 0.680 -9.056 -4.008 1.00 0.00 C ATOM 450 OE1 GLU A 29 1.868 -9.198 -4.245 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.245 -8.408 -3.070 1.00 0.00 O ATOM 0 H GLU A 29 1.246 -12.010 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.366 -11.682 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.925 -11.408 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.198 -9.980 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.928 -8.973 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.010 -10.353 -4.372 1.00 0.00 H new ATOM 458 N ASN A 30 -2.448 -9.630 -7.440 1.00 0.00 N ATOM 459 CA ASN A 30 -3.139 -8.506 -8.132 1.00 0.00 C ATOM 460 C ASN A 30 -3.002 -7.219 -7.316 1.00 0.00 C ATOM 461 O ASN A 30 -3.977 -6.569 -6.992 1.00 0.00 O ATOM 462 CB ASN A 30 -4.605 -8.934 -8.220 1.00 0.00 C ATOM 463 CG ASN A 30 -4.712 -10.228 -9.028 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.185 -10.322 -10.118 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.376 -11.237 -8.535 1.00 0.00 N ATOM 0 H ASN A 30 -3.000 -10.107 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.715 -8.304 -9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.012 -9.083 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.196 -8.149 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.453 -12.105 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.819 -11.158 -7.619 1.00 0.00 H new ATOM 472 N ASP A 31 -1.797 -6.845 -6.983 1.00 0.00 N ATOM 473 CA ASP A 31 -1.593 -5.600 -6.189 1.00 0.00 C ATOM 474 C ASP A 31 -0.520 -4.725 -6.849 1.00 0.00 C ATOM 475 O ASP A 31 0.605 -4.682 -6.395 1.00 0.00 O ATOM 476 CB ASP A 31 -1.125 -6.078 -4.815 1.00 0.00 C ATOM 477 CG ASP A 31 -1.475 -5.025 -3.762 1.00 0.00 C ATOM 478 OD1 ASP A 31 -2.140 -4.064 -4.113 1.00 0.00 O ATOM 479 OD2 ASP A 31 -1.075 -5.198 -2.623 1.00 0.00 O ATOM 0 H ASP A 31 -0.944 -7.348 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.499 -4.998 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.600 -7.027 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.049 -6.253 -4.826 1.00 0.00 H new ATOM 484 N PRO A 32 -0.904 -4.053 -7.907 1.00 0.00 N ATOM 485 CA PRO A 32 0.037 -3.175 -8.637 1.00 0.00 C ATOM 486 C PRO A 32 0.520 -2.035 -7.737 1.00 0.00 C ATOM 487 O PRO A 32 -0.160 -1.620 -6.820 1.00 0.00 O ATOM 488 CB PRO A 32 -0.822 -2.640 -9.787 1.00 0.00 C ATOM 489 CG PRO A 32 -2.237 -3.239 -9.668 1.00 0.00 C ATOM 490 CD PRO A 32 -2.290 -4.135 -8.426 1.00 0.00 C ATOM 0 HA PRO A 32 0.938 -3.687 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.868 -1.552 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.378 -2.907 -10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.978 -2.444 -9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.479 -3.816 -10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.017 -3.776 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.569 -5.159 -8.676 1.00 0.00 H new ATOM 498 N ILE A 33 1.690 -1.526 -8.000 1.00 0.00 N ATOM 499 CA ILE A 33 2.228 -0.407 -7.171 1.00 0.00 C ATOM 500 C ILE A 33 3.155 0.471 -8.014 1.00 0.00 C ATOM 501 O ILE A 33 3.164 0.399 -9.227 1.00 0.00 O ATOM 502 CB ILE A 33 3.000 -1.074 -6.022 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.383 -1.521 -6.504 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.221 -2.291 -5.515 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.231 -2.422 -7.727 1.00 0.00 C ATOM 0 H ILE A 33 2.301 -1.836 -8.756 1.00 0.00 H new ATOM 0 HA ILE A 33 1.436 0.239 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 33 3.119 -0.353 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.991 -0.651 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.902 -2.055 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.771 -2.762 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.242 -1.973 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.094 -3.006 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.216 -2.740 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.639 -3.298 -7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.730 -1.872 -8.524 1.00 0.00 H new ATOM 517 N GLN A 34 3.930 1.300 -7.378 1.00 0.00 N ATOM 518 CA GLN A 34 4.858 2.189 -8.135 1.00 0.00 C ATOM 519 C GLN A 34 6.301 1.962 -7.678 1.00 0.00 C ATOM 520 O GLN A 34 6.554 1.602 -6.545 1.00 0.00 O ATOM 521 CB GLN A 34 4.405 3.610 -7.798 1.00 0.00 C ATOM 522 CG GLN A 34 2.957 3.806 -8.251 1.00 0.00 C ATOM 523 CD GLN A 34 2.474 5.196 -7.828 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.984 5.768 -6.886 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.504 5.765 -8.490 1.00 0.00 N ATOM 0 H GLN A 34 3.963 1.403 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 34 4.833 1.996 -9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.488 3.785 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.052 4.336 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.885 3.698 -9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.320 3.038 -7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.076 5.284 -9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.174 6.691 -8.216 1.00 0.00 H new ATOM 534 N GLY A 35 7.251 2.167 -8.551 1.00 0.00 N ATOM 535 CA GLY A 35 8.676 1.959 -8.165 1.00 0.00 C ATOM 536 C GLY A 35 9.343 3.315 -7.908 1.00 0.00 C ATOM 537 O GLY A 35 8.712 4.346 -8.028 1.00 0.00 O ATOM 0 H GLY A 35 7.102 2.469 -9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.734 1.339 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.204 1.427 -8.957 1.00 0.00 H new ATOM 541 N PRO A 36 10.607 3.271 -7.558 1.00 0.00 N ATOM 542 CA PRO A 36 11.367 4.512 -7.279 1.00 0.00 C ATOM 543 C PRO A 36 11.436 5.399 -8.525 1.00 0.00 C ATOM 544 O PRO A 36 11.591 6.601 -8.436 1.00 0.00 O ATOM 545 CB PRO A 36 12.756 3.981 -6.909 1.00 0.00 C ATOM 546 CG PRO A 36 12.737 2.442 -6.994 1.00 0.00 C ATOM 547 CD PRO A 36 11.336 1.987 -7.422 1.00 0.00 C ATOM 0 HA PRO A 36 10.919 5.130 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.508 4.387 -7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.027 4.300 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.482 2.095 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.996 2.008 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.359 1.432 -8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.876 1.336 -6.678 1.00 0.00 H new ATOM 555 N ASP A 37 11.326 4.817 -9.688 1.00 0.00 N ATOM 556 CA ASP A 37 11.389 5.629 -10.937 1.00 0.00 C ATOM 557 C ASP A 37 10.085 6.399 -11.139 1.00 0.00 C ATOM 558 O ASP A 37 10.063 7.454 -11.742 1.00 0.00 O ATOM 559 CB ASP A 37 11.594 4.614 -12.063 1.00 0.00 C ATOM 560 CG ASP A 37 12.954 3.933 -11.894 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.761 4.444 -11.134 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.166 2.912 -12.526 1.00 0.00 O ATOM 0 H ASP A 37 11.195 3.815 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 37 12.189 6.369 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.798 3.870 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.543 5.113 -13.031 1.00 0.00 H new ATOM 567 N GLY A 38 9.001 5.884 -10.638 1.00 0.00 N ATOM 568 CA GLY A 38 7.703 6.592 -10.801 1.00 0.00 C ATOM 569 C GLY A 38 6.744 5.721 -11.614 1.00 0.00 C ATOM 570 O GLY A 38 5.549 5.937 -11.623 1.00 0.00 O ATOM 0 H GLY A 38 8.956 5.005 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.272 6.812 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.858 7.547 -11.303 1.00 0.00 H new ATOM 574 N LYS A 39 7.259 4.737 -12.299 1.00 0.00 N ATOM 575 CA LYS A 39 6.378 3.852 -13.114 1.00 0.00 C ATOM 576 C LYS A 39 5.700 2.809 -12.220 1.00 0.00 C ATOM 577 O LYS A 39 6.122 2.562 -11.108 1.00 0.00 O ATOM 578 CB LYS A 39 7.315 3.173 -14.113 1.00 0.00 C ATOM 579 CG LYS A 39 6.494 2.335 -15.096 1.00 0.00 C ATOM 580 CD LYS A 39 7.440 1.525 -15.986 1.00 0.00 C ATOM 581 CE LYS A 39 6.635 0.841 -17.093 1.00 0.00 C ATOM 582 NZ LYS A 39 6.781 -0.618 -16.825 1.00 0.00 N ATOM 0 H LYS A 39 8.252 4.507 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 39 5.583 4.407 -13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.893 3.923 -14.653 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.028 2.539 -13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.827 1.666 -14.552 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.867 2.983 -15.708 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.196 2.178 -16.422 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.968 0.779 -15.391 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.589 1.145 -17.067 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.018 1.102 -18.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.256 -1.157 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.787 -0.879 -16.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.402 -0.837 -15.882 1.00 0.00 H new ATOM 596 N VAL A 40 4.652 2.197 -12.699 1.00 0.00 N ATOM 597 CA VAL A 40 3.948 1.171 -11.878 1.00 0.00 C ATOM 598 C VAL A 40 4.310 -0.234 -12.365 1.00 0.00 C ATOM 599 O VAL A 40 4.624 -0.439 -13.521 1.00 0.00 O ATOM 600 CB VAL A 40 2.459 1.445 -12.095 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.633 0.429 -11.303 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.126 2.859 -11.614 1.00 0.00 C ATOM 0 H VAL A 40 4.253 2.363 -13.623 1.00 0.00 H new ATOM 0 HA VAL A 40 4.224 1.224 -10.825 1.00 0.00 H new ATOM 0 HB VAL A 40 2.224 1.357 -13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.572 0.624 -11.457 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.871 -0.578 -11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.868 0.517 -10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.065 3.055 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.361 2.947 -10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.715 3.583 -12.177 1.00 0.00 H new ATOM 612 N HIS A 41 4.268 -1.203 -11.493 1.00 0.00 N ATOM 613 CA HIS A 41 4.611 -2.594 -11.909 1.00 0.00 C ATOM 614 C HIS A 41 3.413 -3.521 -11.686 1.00 0.00 C ATOM 615 O HIS A 41 2.351 -3.092 -11.281 1.00 0.00 O ATOM 616 CB HIS A 41 5.780 -3.000 -11.011 1.00 0.00 C ATOM 617 CG HIS A 41 6.868 -1.967 -11.106 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.787 -1.954 -12.144 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.197 -0.903 -10.302 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.616 -0.914 -11.939 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.300 -0.240 -10.829 1.00 0.00 N ATOM 0 H HIS A 41 4.012 -1.093 -10.512 1.00 0.00 H new ATOM 0 HA HIS A 41 4.870 -2.658 -12.966 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.443 -3.095 -9.979 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.162 -3.975 -11.313 1.00 0.00 H new ATOM 0 HD1 HIS A 41 7.827 -2.613 -12.922 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.678 -0.624 -9.397 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.437 -0.656 -12.592 1.00 0.00 H new ATOM 629 N GLY A 42 3.575 -4.789 -11.948 1.00 0.00 N ATOM 630 CA GLY A 42 2.446 -5.740 -11.752 1.00 0.00 C ATOM 631 C GLY A 42 2.159 -5.891 -10.258 1.00 0.00 C ATOM 632 O GLY A 42 1.039 -5.737 -9.812 1.00 0.00 O ATOM 0 H GLY A 42 4.441 -5.207 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.557 -5.377 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.694 -6.709 -12.185 1.00 0.00 H new ATOM 636 N ASN A 43 3.162 -6.194 -9.479 1.00 0.00 N ATOM 637 CA ASN A 43 2.944 -6.356 -8.013 1.00 0.00 C ATOM 638 C ASN A 43 4.136 -5.799 -7.234 1.00 0.00 C ATOM 639 O ASN A 43 4.981 -5.113 -7.774 1.00 0.00 O ATOM 640 CB ASN A 43 2.820 -7.864 -7.795 1.00 0.00 C ATOM 641 CG ASN A 43 4.026 -8.572 -8.418 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.786 -7.972 -9.152 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.232 -9.833 -8.155 1.00 0.00 N ATOM 0 H ASN A 43 4.122 -6.336 -9.794 1.00 0.00 H new ATOM 0 HA ASN A 43 2.061 -5.819 -7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.766 -8.085 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.897 -8.232 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.031 -10.316 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.594 -10.336 -7.539 1.00 0.00 H new ATOM 650 N THR A 44 4.204 -6.088 -5.965 1.00 0.00 N ATOM 651 CA THR A 44 5.338 -5.578 -5.141 1.00 0.00 C ATOM 652 C THR A 44 6.645 -6.250 -5.563 1.00 0.00 C ATOM 653 O THR A 44 7.715 -5.700 -5.397 1.00 0.00 O ATOM 654 CB THR A 44 4.985 -5.953 -3.702 1.00 0.00 C ATOM 655 OG1 THR A 44 3.891 -5.158 -3.262 1.00 0.00 O ATOM 656 CG2 THR A 44 6.193 -5.709 -2.797 1.00 0.00 C ATOM 0 H THR A 44 3.523 -6.656 -5.461 1.00 0.00 H new ATOM 0 HA THR A 44 5.481 -4.504 -5.259 1.00 0.00 H new ATOM 0 HB THR A 44 4.710 -7.007 -3.658 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.662 -5.398 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.939 -5.977 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.030 -6.320 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.472 -4.656 -2.838 1.00 0.00 H new ATOM 664 N CYS A 45 6.573 -7.431 -6.115 1.00 0.00 N ATOM 665 CA CYS A 45 7.829 -8.112 -6.546 1.00 0.00 C ATOM 666 C CYS A 45 8.428 -7.353 -7.727 1.00 0.00 C ATOM 667 O CYS A 45 9.546 -6.885 -7.666 1.00 0.00 O ATOM 668 CB CYS A 45 7.436 -9.529 -6.968 1.00 0.00 C ATOM 669 SG CYS A 45 6.258 -10.231 -5.787 1.00 0.00 S ATOM 0 H CYS A 45 5.711 -7.949 -6.285 1.00 0.00 H new ATOM 0 HA CYS A 45 8.570 -8.141 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.995 -9.510 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.324 -10.159 -7.024 1.00 0.00 H new ATOM 674 N SER A 46 7.686 -7.208 -8.796 1.00 0.00 N ATOM 675 CA SER A 46 8.219 -6.455 -9.965 1.00 0.00 C ATOM 676 C SER A 46 8.902 -5.188 -9.455 1.00 0.00 C ATOM 677 O SER A 46 9.932 -4.774 -9.949 1.00 0.00 O ATOM 678 CB SER A 46 6.996 -6.109 -10.815 1.00 0.00 C ATOM 679 OG SER A 46 6.327 -7.305 -11.189 1.00 0.00 O ATOM 0 H SER A 46 6.741 -7.577 -8.907 1.00 0.00 H new ATOM 0 HA SER A 46 8.949 -7.021 -10.544 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.321 -5.462 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.302 -5.557 -11.704 1.00 0.00 H new ATOM 0 HG SER A 46 5.558 -7.448 -10.599 1.00 0.00 H new ATOM 685 N MET A 47 8.340 -4.591 -8.439 1.00 0.00 N ATOM 686 CA MET A 47 8.955 -3.372 -7.851 1.00 0.00 C ATOM 687 C MET A 47 10.228 -3.779 -7.116 1.00 0.00 C ATOM 688 O MET A 47 11.237 -3.103 -7.158 1.00 0.00 O ATOM 689 CB MET A 47 7.913 -2.851 -6.862 1.00 0.00 C ATOM 690 CG MET A 47 8.199 -1.386 -6.536 1.00 0.00 C ATOM 691 SD MET A 47 7.012 -0.799 -5.302 1.00 0.00 S ATOM 692 CE MET A 47 7.679 -1.716 -3.892 1.00 0.00 C ATOM 0 H MET A 47 7.477 -4.899 -7.991 1.00 0.00 H new ATOM 0 HA MET A 47 9.219 -2.618 -8.593 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.914 -2.951 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.933 -3.447 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.216 -1.278 -6.158 1.00 0.00 H new ATOM 0 HG3 MET A 47 8.129 -0.781 -7.440 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.804 -1.041 -3.045 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.991 -2.516 -3.620 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.645 -2.144 -4.160 1.00 0.00 H new ATOM 702 N CYS A 48 10.174 -4.896 -6.452 1.00 0.00 N ATOM 703 CA CYS A 48 11.361 -5.399 -5.708 1.00 0.00 C ATOM 704 C CYS A 48 12.406 -5.935 -6.692 1.00 0.00 C ATOM 705 O CYS A 48 13.593 -5.883 -6.437 1.00 0.00 O ATOM 706 CB CYS A 48 10.811 -6.519 -4.815 1.00 0.00 C ATOM 707 SG CYS A 48 9.999 -5.807 -3.357 1.00 0.00 S ATOM 0 H CYS A 48 9.348 -5.491 -6.392 1.00 0.00 H new ATOM 0 HA CYS A 48 11.856 -4.624 -5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.102 -7.127 -5.376 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.621 -7.179 -4.505 1.00 0.00 H new ATOM 712 N GLU A 49 11.979 -6.433 -7.823 1.00 0.00 N ATOM 713 CA GLU A 49 12.959 -6.950 -8.824 1.00 0.00 C ATOM 714 C GLU A 49 13.871 -5.810 -9.277 1.00 0.00 C ATOM 715 O GLU A 49 15.073 -5.960 -9.367 1.00 0.00 O ATOM 716 CB GLU A 49 12.114 -7.456 -9.995 1.00 0.00 C ATOM 717 CG GLU A 49 11.254 -8.635 -9.543 1.00 0.00 C ATOM 718 CD GLU A 49 10.462 -9.176 -10.735 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.451 -8.518 -11.762 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.877 -10.238 -10.598 1.00 0.00 O ATOM 0 H GLU A 49 10.999 -6.504 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 49 13.593 -7.739 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.479 -6.654 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.761 -7.761 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.885 -9.420 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.572 -8.320 -8.753 1.00 0.00 H new ATOM 727 N VAL A 50 13.307 -4.663 -9.543 1.00 0.00 N ATOM 728 CA VAL A 50 14.145 -3.507 -9.968 1.00 0.00 C ATOM 729 C VAL A 50 15.170 -3.223 -8.883 1.00 0.00 C ATOM 730 O VAL A 50 16.355 -3.121 -9.132 1.00 0.00 O ATOM 731 CB VAL A 50 13.173 -2.337 -10.091 1.00 0.00 C ATOM 732 CG1 VAL A 50 13.927 -1.096 -10.574 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.073 -2.695 -11.087 1.00 0.00 C ATOM 0 H VAL A 50 12.306 -4.477 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 50 14.678 -3.687 -10.901 1.00 0.00 H new ATOM 0 HB VAL A 50 12.725 -2.129 -9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.233 -0.260 -10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.710 -0.844 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.376 -1.299 -11.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.377 -1.861 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.517 -2.903 -12.060 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.538 -3.577 -10.736 1.00 0.00 H new ATOM 743 N PHE A 51 14.711 -3.112 -7.673 1.00 0.00 N ATOM 744 CA PHE A 51 15.643 -2.855 -6.545 1.00 0.00 C ATOM 745 C PHE A 51 16.659 -3.990 -6.470 1.00 0.00 C ATOM 746 O PHE A 51 17.847 -3.774 -6.332 1.00 0.00 O ATOM 747 CB PHE A 51 14.758 -2.836 -5.301 1.00 0.00 C ATOM 748 CG PHE A 51 15.627 -2.790 -4.071 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.573 -1.771 -3.922 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.485 -3.766 -3.079 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.379 -1.727 -2.779 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.289 -3.723 -1.935 1.00 0.00 C ATOM 753 CZ PHE A 51 17.237 -2.703 -1.784 1.00 0.00 C ATOM 0 H PHE A 51 13.727 -3.188 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 51 16.200 -1.924 -6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.096 -1.970 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.123 -3.722 -5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.681 -1.018 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.755 -4.553 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.110 -0.941 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.179 -4.476 -1.169 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.858 -2.669 -0.901 1.00 0.00 H new ATOM 763 N PHE A 52 16.195 -5.202 -6.578 1.00 0.00 N ATOM 764 CA PHE A 52 17.121 -6.366 -6.533 1.00 0.00 C ATOM 765 C PHE A 52 18.085 -6.299 -7.717 1.00 0.00 C ATOM 766 O PHE A 52 19.233 -6.682 -7.621 1.00 0.00 O ATOM 767 CB PHE A 52 16.216 -7.595 -6.637 1.00 0.00 C ATOM 768 CG PHE A 52 15.721 -7.976 -5.262 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.593 -7.942 -4.166 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.387 -8.355 -5.082 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.129 -8.286 -2.893 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.924 -8.701 -3.809 1.00 0.00 C ATOM 773 CZ PHE A 52 14.794 -8.666 -2.713 1.00 0.00 C ATOM 0 H PHE A 52 15.210 -5.438 -6.696 1.00 0.00 H new ATOM 0 HA PHE A 52 17.726 -6.390 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.372 -7.383 -7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.764 -8.426 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.624 -7.650 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.714 -8.380 -5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.801 -8.259 -2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.894 -8.996 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.436 -8.932 -1.730 1.00 0.00 H new ATOM 783 N GLN A 53 17.626 -5.801 -8.833 1.00 0.00 N ATOM 784 CA GLN A 53 18.516 -5.696 -10.022 1.00 0.00 C ATOM 785 C GLN A 53 19.671 -4.743 -9.715 1.00 0.00 C ATOM 786 O GLN A 53 20.825 -5.056 -9.929 1.00 0.00 O ATOM 787 CB GLN A 53 17.629 -5.127 -11.127 1.00 0.00 C ATOM 788 CG GLN A 53 18.275 -5.391 -12.489 1.00 0.00 C ATOM 789 CD GLN A 53 17.760 -4.370 -13.505 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.326 -3.307 -13.656 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.700 -4.652 -14.213 1.00 0.00 N ATOM 0 H GLN A 53 16.674 -5.463 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 53 18.953 -6.653 -10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.641 -5.585 -11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.490 -4.056 -10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.360 -5.324 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.043 -6.402 -12.824 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.225 -5.545 -14.086 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.347 -3.979 -14.893 1.00 0.00 H new ATOM 800 N ALA A 54 19.366 -3.579 -9.208 1.00 0.00 N ATOM 801 CA ALA A 54 20.443 -2.603 -8.878 1.00 0.00 C ATOM 802 C ALA A 54 21.459 -3.244 -7.931 1.00 0.00 C ATOM 803 O ALA A 54 22.654 -3.083 -8.085 1.00 0.00 O ATOM 804 CB ALA A 54 19.725 -1.441 -8.188 1.00 0.00 C ATOM 0 H ALA A 54 18.417 -3.262 -9.008 1.00 0.00 H new ATOM 0 HA ALA A 54 20.992 -2.276 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.452 -0.677 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.989 -1.013 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.223 -1.805 -7.291 1.00 0.00 H new ATOM 810 N GLU A 55 20.995 -3.974 -6.952 1.00 0.00 N ATOM 811 CA GLU A 55 21.936 -4.628 -6.000 1.00 0.00 C ATOM 812 C GLU A 55 22.831 -5.621 -6.744 1.00 0.00 C ATOM 813 O GLU A 55 23.922 -5.935 -6.309 1.00 0.00 O ATOM 814 CB GLU A 55 21.042 -5.355 -4.995 1.00 0.00 C ATOM 815 CG GLU A 55 20.314 -4.331 -4.124 1.00 0.00 C ATOM 816 CD GLU A 55 21.322 -3.628 -3.213 1.00 0.00 C ATOM 817 OE1 GLU A 55 22.443 -4.102 -3.126 1.00 0.00 O ATOM 818 OE2 GLU A 55 20.957 -2.628 -2.618 1.00 0.00 O ATOM 0 H GLU A 55 20.006 -4.145 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 55 22.596 -3.911 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.320 -5.980 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.642 -6.017 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.804 -3.600 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.549 -4.825 -3.525 1.00 0.00 H new ATOM 825 N GLU A 56 22.381 -6.117 -7.863 1.00 0.00 N ATOM 826 CA GLU A 56 23.210 -7.086 -8.634 1.00 0.00 C ATOM 827 C GLU A 56 24.560 -6.457 -8.985 1.00 0.00 C ATOM 828 O GLU A 56 25.573 -7.125 -9.038 1.00 0.00 O ATOM 829 CB GLU A 56 22.406 -7.374 -9.902 1.00 0.00 C ATOM 830 CG GLU A 56 23.098 -8.478 -10.704 1.00 0.00 C ATOM 831 CD GLU A 56 22.351 -8.696 -12.021 1.00 0.00 C ATOM 832 OE1 GLU A 56 21.350 -8.030 -12.229 1.00 0.00 O ATOM 833 OE2 GLU A 56 22.793 -9.524 -12.801 1.00 0.00 O ATOM 0 H GLU A 56 21.476 -5.894 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 56 23.418 -7.995 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 56 21.393 -7.680 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 56 22.321 -6.470 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 56 24.134 -8.203 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.118 -9.403 -10.128 1.00 0.00 H new