USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 435 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 118:sc= -4.72! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= -0.0238 (180deg=-0.382) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0507) USER MOD Single : A 27 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.089) USER MOD Single : A 31 SER OG : rot 77:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0135 (180deg=-0.195) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.0407 (180deg=-0.323) USER MOD Single : A 42 MET CE :methyl -155:sc= 0 (180deg=-0.117) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.317 F(o=-2.2!,f=-0.32) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.34 F(o=-1.1,f=-0.34) USER MOD Single : A 46 THR OG1 : rot -130:sc= 0.322 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.913 (180deg=-2.37!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.189 F(o=-1.8,f=-0.19) USER MOD Single : A 54 TYR OH : rot -55:sc= 0.503 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0185 (180deg=-0.318) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.0653 (180deg=-0.643) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0407 (180deg=-0.423) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= -0.0163 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.422 0.111 -1.351 1.00 0.00 N ATOM 86 CA PRO A 8 1.233 1.227 -0.368 1.00 0.00 C ATOM 87 C PRO A 8 0.664 2.525 -0.996 1.00 0.00 C ATOM 88 O PRO A 8 0.373 2.536 -2.175 1.00 0.00 O ATOM 89 CB PRO A 8 2.639 1.403 0.248 1.00 0.00 C ATOM 90 CG PRO A 8 3.577 0.942 -0.883 1.00 0.00 C ATOM 91 CD PRO A 8 2.860 -0.300 -1.413 1.00 0.00 C ATOM 0 HA PRO A 8 0.476 0.993 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.828 2.438 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.764 0.799 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.692 1.705 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.576 0.709 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.169 -0.546 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.059 -1.178 -0.798 1.00 0.00 H new ATOM 99 N PRO A 9 0.510 3.571 -0.200 1.00 0.00 N ATOM 100 CA PRO A 9 0.281 4.981 -0.650 1.00 0.00 C ATOM 101 C PRO A 9 0.778 5.412 -2.051 1.00 0.00 C ATOM 102 O PRO A 9 1.529 4.722 -2.712 1.00 0.00 O ATOM 103 CB PRO A 9 0.894 5.820 0.510 1.00 0.00 C ATOM 104 CG PRO A 9 1.430 4.778 1.536 1.00 0.00 C ATOM 105 CD PRO A 9 0.549 3.552 1.287 1.00 0.00 C ATOM 0 HA PRO A 9 -0.784 5.134 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.696 6.463 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.145 6.469 0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.484 4.556 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.337 5.138 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.987 2.635 1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.441 3.651 1.733 1.00 0.00 H new ATOM 113 N SER A 10 0.330 6.578 -2.443 1.00 0.00 N ATOM 114 CA SER A 10 0.695 7.155 -3.779 1.00 0.00 C ATOM 115 C SER A 10 1.635 8.370 -3.740 1.00 0.00 C ATOM 116 O SER A 10 2.273 8.638 -4.740 1.00 0.00 O ATOM 117 CB SER A 10 -0.610 7.541 -4.494 1.00 0.00 C ATOM 118 OG SER A 10 -1.309 6.311 -4.628 1.00 0.00 O ATOM 0 H SER A 10 -0.286 7.168 -1.884 1.00 0.00 H new ATOM 0 HA SER A 10 1.258 6.385 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.183 8.264 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.413 7.995 -5.465 1.00 0.00 H new ATOM 0 HG SER A 10 -2.165 6.469 -5.078 1.00 0.00 H new ATOM 124 N ALA A 11 1.675 9.035 -2.607 1.00 0.00 N ATOM 125 CA ALA A 11 2.506 10.264 -2.318 1.00 0.00 C ATOM 126 C ALA A 11 1.409 11.250 -1.899 1.00 0.00 C ATOM 127 O ALA A 11 1.454 11.923 -0.888 1.00 0.00 O ATOM 128 CB ALA A 11 3.207 10.825 -3.561 1.00 0.00 C ATOM 0 H ALA A 11 1.117 8.750 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 11 3.303 10.071 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.787 11.706 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.872 10.068 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.461 11.100 -4.306 1.00 0.00 H new ATOM 134 N PHE A 12 0.437 11.260 -2.774 1.00 0.00 N ATOM 135 CA PHE A 12 -0.783 12.085 -2.666 1.00 0.00 C ATOM 136 C PHE A 12 -1.443 11.714 -1.344 1.00 0.00 C ATOM 137 O PHE A 12 -2.070 12.532 -0.710 1.00 0.00 O ATOM 138 CB PHE A 12 -1.662 11.723 -3.854 1.00 0.00 C ATOM 139 CG PHE A 12 -3.096 12.228 -3.681 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.355 13.571 -3.754 1.00 0.00 C ATOM 141 CD2 PHE A 12 -4.140 11.350 -3.458 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.632 14.044 -3.610 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.427 11.825 -3.313 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.673 13.169 -3.390 1.00 0.00 C ATOM 0 H PHE A 12 0.454 10.683 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.592 13.158 -2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.236 12.147 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.672 10.641 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.544 14.263 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.948 10.289 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.823 15.105 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.240 11.136 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.680 13.543 -3.279 1.00 0.00 H new ATOM 154 N PHE A 13 -1.270 10.473 -0.977 1.00 0.00 N ATOM 155 CA PHE A 13 -1.858 9.966 0.288 1.00 0.00 C ATOM 156 C PHE A 13 -1.412 10.805 1.505 1.00 0.00 C ATOM 157 O PHE A 13 -2.241 11.324 2.223 1.00 0.00 O ATOM 158 CB PHE A 13 -1.426 8.504 0.479 1.00 0.00 C ATOM 159 CG PHE A 13 -2.364 7.852 1.504 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.617 7.420 1.104 1.00 0.00 C ATOM 161 CD2 PHE A 13 -1.990 7.697 2.826 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.482 6.846 2.008 1.00 0.00 C ATOM 163 CE2 PHE A 13 -2.857 7.122 3.733 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.103 6.696 3.324 1.00 0.00 C ATOM 0 H PHE A 13 -0.739 9.783 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.943 10.041 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.470 7.969 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.394 8.456 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.919 7.534 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.014 8.028 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.458 6.513 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.559 7.006 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.781 6.246 4.034 1.00 0.00 H new ATOM 174 N LEU A 14 -0.121 10.926 1.691 1.00 0.00 N ATOM 175 CA LEU A 14 0.439 11.702 2.836 1.00 0.00 C ATOM 176 C LEU A 14 -0.181 13.086 2.995 1.00 0.00 C ATOM 177 O LEU A 14 -0.735 13.425 4.024 1.00 0.00 O ATOM 178 CB LEU A 14 1.980 11.906 2.689 1.00 0.00 C ATOM 179 CG LEU A 14 2.893 10.633 2.615 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.532 9.546 3.642 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.994 10.049 1.194 1.00 0.00 C ATOM 0 H LEU A 14 0.583 10.509 1.082 1.00 0.00 H new ATOM 0 HA LEU A 14 0.201 11.101 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.153 12.493 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.318 12.509 3.532 1.00 0.00 H new ATOM 0 HG LEU A 14 3.884 10.995 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.208 8.699 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.626 9.952 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.506 9.217 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.639 9.170 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.001 9.765 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.414 10.797 0.522 1.00 0.00 H new ATOM 193 N PHE A 15 -0.078 13.849 1.944 1.00 0.00 N ATOM 194 CA PHE A 15 -0.634 15.220 1.987 1.00 0.00 C ATOM 195 C PHE A 15 -2.188 15.183 2.037 1.00 0.00 C ATOM 196 O PHE A 15 -2.765 15.960 2.773 1.00 0.00 O ATOM 197 CB PHE A 15 0.049 15.932 0.751 1.00 0.00 C ATOM 198 CG PHE A 15 -0.846 16.630 -0.260 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.653 15.860 -1.059 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.831 18.010 -0.414 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.431 16.446 -2.004 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.625 18.597 -1.375 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.425 17.811 -2.172 1.00 0.00 C ATOM 0 H PHE A 15 0.365 13.581 1.065 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.413 15.797 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.752 16.669 1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.634 15.183 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.669 14.787 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.200 18.620 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.062 15.834 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.619 19.669 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.047 18.265 -2.929 1.00 0.00 H new ATOM 213 N CYS A 16 -2.838 14.313 1.296 1.00 0.00 N ATOM 214 CA CYS A 16 -4.342 14.239 1.336 1.00 0.00 C ATOM 215 C CYS A 16 -4.810 13.994 2.777 1.00 0.00 C ATOM 216 O CYS A 16 -5.755 14.611 3.222 1.00 0.00 O ATOM 217 CB CYS A 16 -4.904 13.078 0.472 1.00 0.00 C ATOM 218 SG CYS A 16 -6.663 12.710 0.731 1.00 0.00 S ATOM 0 H CYS A 16 -2.393 13.648 0.663 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.708 15.187 0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.750 13.320 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.326 12.178 0.680 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.316 12.909 -0.376 1.00 0.00 H new ATOM 223 N SER A 17 -4.145 13.098 3.467 1.00 0.00 N ATOM 224 CA SER A 17 -4.519 12.787 4.877 1.00 0.00 C ATOM 225 C SER A 17 -4.554 14.090 5.690 1.00 0.00 C ATOM 226 O SER A 17 -5.520 14.401 6.360 1.00 0.00 O ATOM 227 CB SER A 17 -3.477 11.815 5.454 1.00 0.00 C ATOM 228 OG SER A 17 -3.961 11.492 6.751 1.00 0.00 O ATOM 0 H SER A 17 -3.353 12.566 3.107 1.00 0.00 H new ATOM 0 HA SER A 17 -5.505 12.325 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.382 10.924 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.491 12.276 5.503 1.00 0.00 H new ATOM 0 HG SER A 17 -3.343 10.868 7.185 1.00 0.00 H new ATOM 234 N GLU A 18 -3.463 14.800 5.573 1.00 0.00 N ATOM 235 CA GLU A 18 -3.274 16.105 6.270 1.00 0.00 C ATOM 236 C GLU A 18 -4.207 17.219 5.730 1.00 0.00 C ATOM 237 O GLU A 18 -4.277 18.296 6.292 1.00 0.00 O ATOM 238 CB GLU A 18 -1.796 16.466 6.091 1.00 0.00 C ATOM 239 CG GLU A 18 -1.459 17.803 6.773 1.00 0.00 C ATOM 240 CD GLU A 18 0.055 18.056 6.673 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.509 18.218 5.550 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.675 18.076 7.724 1.00 0.00 O ATOM 0 H GLU A 18 -2.667 14.517 5.002 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.541 16.015 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.173 15.675 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.561 16.528 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.008 18.616 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.767 17.779 7.818 1.00 0.00 H new ATOM 249 N TYR A 19 -4.901 16.924 4.663 1.00 0.00 N ATOM 250 CA TYR A 19 -5.838 17.914 4.037 1.00 0.00 C ATOM 251 C TYR A 19 -7.283 17.680 4.433 1.00 0.00 C ATOM 252 O TYR A 19 -7.987 18.624 4.725 1.00 0.00 O ATOM 253 CB TYR A 19 -5.736 17.822 2.511 1.00 0.00 C ATOM 254 CG TYR A 19 -4.720 18.834 1.981 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.430 18.877 2.459 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.104 19.717 0.996 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.534 19.790 1.957 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.213 20.632 0.492 1.00 0.00 C ATOM 259 CZ TYR A 19 -2.915 20.676 0.968 1.00 0.00 C ATOM 260 OH TYR A 19 -2.005 21.587 0.466 1.00 0.00 O ATOM 0 H TYR A 19 -4.860 16.023 4.187 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.543 18.900 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.440 16.814 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.712 18.009 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.120 18.190 3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.115 19.689 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.524 19.815 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.527 21.320 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.436 22.134 -0.224 1.00 0.00 H new ATOM 270 N ARG A 20 -7.677 16.431 4.410 1.00 0.00 N ATOM 271 CA ARG A 20 -9.065 16.022 4.768 1.00 0.00 C ATOM 272 C ARG A 20 -9.727 17.013 5.740 1.00 0.00 C ATOM 273 O ARG A 20 -10.507 17.815 5.285 1.00 0.00 O ATOM 274 CB ARG A 20 -9.001 14.599 5.369 1.00 0.00 C ATOM 275 CG ARG A 20 -8.865 13.545 4.260 1.00 0.00 C ATOM 276 CD ARG A 20 -8.814 12.160 4.923 1.00 0.00 C ATOM 277 NE ARG A 20 -10.115 11.932 5.634 1.00 0.00 N ATOM 278 CZ ARG A 20 -10.886 10.901 5.394 1.00 0.00 C ATOM 279 NH1 ARG A 20 -10.471 9.910 4.651 1.00 0.00 N ATOM 280 NH2 ARG A 20 -12.074 10.899 5.929 1.00 0.00 N ATOM 0 H ARG A 20 -7.070 15.654 4.148 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.687 16.024 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.155 14.526 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.901 14.405 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.707 13.607 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.962 13.721 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.650 11.386 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.982 12.105 5.625 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.412 12.610 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.534 9.932 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.084 9.114 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.373 11.682 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.705 10.114 5.766 1.00 0.00 H new ATOM 294 N PRO A 21 -9.411 16.994 7.015 1.00 0.00 N ATOM 295 CA PRO A 21 -10.217 17.687 8.065 1.00 0.00 C ATOM 296 C PRO A 21 -10.190 19.226 7.923 1.00 0.00 C ATOM 297 O PRO A 21 -10.919 19.935 8.592 1.00 0.00 O ATOM 298 CB PRO A 21 -9.587 17.194 9.350 1.00 0.00 C ATOM 299 CG PRO A 21 -8.099 17.075 8.947 1.00 0.00 C ATOM 300 CD PRO A 21 -8.221 16.328 7.620 1.00 0.00 C ATOM 0 HA PRO A 21 -11.282 17.461 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.733 17.895 10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.002 16.238 9.668 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.623 18.049 8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.515 16.520 9.681 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.330 16.440 7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.377 15.259 7.763 1.00 0.00 H new ATOM 308 N LYS A 22 -9.349 19.673 7.029 1.00 0.00 N ATOM 309 CA LYS A 22 -9.152 21.122 6.741 1.00 0.00 C ATOM 310 C LYS A 22 -10.131 21.600 5.659 1.00 0.00 C ATOM 311 O LYS A 22 -10.764 22.626 5.821 1.00 0.00 O ATOM 312 CB LYS A 22 -7.678 21.268 6.299 1.00 0.00 C ATOM 313 CG LYS A 22 -7.076 22.673 6.498 1.00 0.00 C ATOM 314 CD LYS A 22 -7.776 23.758 5.645 1.00 0.00 C ATOM 315 CE LYS A 22 -6.710 24.656 4.978 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.770 25.225 5.990 1.00 0.00 N ATOM 0 H LYS A 22 -8.764 19.061 6.461 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.353 21.742 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.075 20.549 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.602 21.002 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.145 22.946 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.016 22.647 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.401 23.290 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.434 24.360 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.150 24.076 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.200 25.466 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.386 26.125 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.278 25.390 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.990 24.556 6.154 1.00 0.00 H new ATOM 330 N ILE A 23 -10.258 20.844 4.596 1.00 0.00 N ATOM 331 CA ILE A 23 -11.188 21.262 3.501 1.00 0.00 C ATOM 332 C ILE A 23 -12.560 20.712 3.821 1.00 0.00 C ATOM 333 O ILE A 23 -13.572 21.263 3.455 1.00 0.00 O ATOM 334 CB ILE A 23 -10.668 20.729 2.125 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.902 19.378 2.220 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.729 21.813 1.568 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.693 18.802 0.802 1.00 0.00 C ATOM 0 H ILE A 23 -9.764 19.965 4.440 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.240 22.348 3.430 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.525 20.532 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.939 19.528 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.464 18.672 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.335 21.492 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.282 22.744 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.904 21.972 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.156 17.856 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.662 18.637 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.113 19.506 0.205 1.00 0.00 H new ATOM 349 N LYS A 24 -12.516 19.621 4.519 1.00 0.00 N ATOM 350 CA LYS A 24 -13.715 18.887 4.980 1.00 0.00 C ATOM 351 C LYS A 24 -14.353 19.792 6.048 1.00 0.00 C ATOM 352 O LYS A 24 -15.559 19.913 6.131 1.00 0.00 O ATOM 353 CB LYS A 24 -13.231 17.595 5.576 1.00 0.00 C ATOM 354 CG LYS A 24 -14.395 16.692 6.049 1.00 0.00 C ATOM 355 CD LYS A 24 -13.872 15.614 7.040 1.00 0.00 C ATOM 356 CE LYS A 24 -12.707 14.791 6.448 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.120 14.115 5.185 1.00 0.00 N ATOM 0 H LYS A 24 -11.640 19.184 4.805 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.437 18.661 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.635 17.058 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.575 17.810 6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.162 17.298 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.863 16.210 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.542 16.098 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.688 14.943 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.857 15.445 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.378 14.046 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.370 13.463 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.997 13.581 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.281 14.829 4.446 1.00 0.00 H new ATOM 371 N GLY A 25 -13.487 20.396 6.828 1.00 0.00 N ATOM 372 CA GLY A 25 -13.925 21.311 7.925 1.00 0.00 C ATOM 373 C GLY A 25 -14.716 22.481 7.342 1.00 0.00 C ATOM 374 O GLY A 25 -15.771 22.839 7.830 1.00 0.00 O ATOM 0 H GLY A 25 -12.476 20.289 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.540 20.766 8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.057 21.683 8.469 1.00 0.00 H new ATOM 378 N GLU A 26 -14.154 23.035 6.301 1.00 0.00 N ATOM 379 CA GLU A 26 -14.770 24.190 5.592 1.00 0.00 C ATOM 380 C GLU A 26 -16.027 23.797 4.802 1.00 0.00 C ATOM 381 O GLU A 26 -17.069 24.413 4.931 1.00 0.00 O ATOM 382 CB GLU A 26 -13.731 24.776 4.625 1.00 0.00 C ATOM 383 CG GLU A 26 -12.431 25.160 5.363 1.00 0.00 C ATOM 384 CD GLU A 26 -12.580 26.503 6.099 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.302 26.524 7.084 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.959 27.443 5.629 1.00 0.00 O ATOM 0 H GLU A 26 -13.268 22.724 5.903 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.075 24.920 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.507 24.049 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.145 25.656 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.172 24.379 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.610 25.224 4.649 1.00 0.00 H new ATOM 393 N HIS A 27 -15.873 22.773 4.006 1.00 0.00 N ATOM 394 CA HIS A 27 -16.958 22.236 3.144 1.00 0.00 C ATOM 395 C HIS A 27 -17.151 20.740 3.445 1.00 0.00 C ATOM 396 O HIS A 27 -16.668 19.887 2.723 1.00 0.00 O ATOM 397 CB HIS A 27 -16.542 22.468 1.676 1.00 0.00 C ATOM 398 CG HIS A 27 -15.878 23.847 1.554 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.469 24.983 1.719 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.563 24.178 1.275 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.617 25.942 1.556 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.419 25.489 1.278 1.00 0.00 N ATOM 0 H HIS A 27 -14.993 22.265 3.918 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.907 22.737 3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.852 21.688 1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.414 22.412 1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.772 23.468 1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.863 26.990 1.639 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.570 26.027 1.104 1.00 0.00 H new ATOM 410 N PRO A 28 -17.852 20.451 4.517 1.00 0.00 N ATOM 411 CA PRO A 28 -18.339 19.077 4.817 1.00 0.00 C ATOM 412 C PRO A 28 -19.598 18.787 3.976 1.00 0.00 C ATOM 413 O PRO A 28 -20.540 18.186 4.457 1.00 0.00 O ATOM 414 CB PRO A 28 -18.583 19.127 6.321 1.00 0.00 C ATOM 415 CG PRO A 28 -19.141 20.570 6.498 1.00 0.00 C ATOM 416 CD PRO A 28 -18.240 21.426 5.575 1.00 0.00 C ATOM 0 HA PRO A 28 -17.654 18.267 4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.296 18.369 6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.667 18.969 6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.189 20.633 6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.079 20.899 7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.776 22.281 5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.372 21.819 6.104 1.00 0.00 H new ATOM 424 N GLY A 29 -19.564 19.229 2.741 1.00 0.00 N ATOM 425 CA GLY A 29 -20.706 19.021 1.817 1.00 0.00 C ATOM 426 C GLY A 29 -20.275 18.687 0.387 1.00 0.00 C ATOM 427 O GLY A 29 -21.045 18.923 -0.523 1.00 0.00 O ATOM 0 H GLY A 29 -18.776 19.733 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.331 18.213 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.321 19.921 1.803 1.00 0.00 H new ATOM 431 N LEU A 30 -19.085 18.158 0.206 1.00 0.00 N ATOM 432 CA LEU A 30 -18.641 17.816 -1.182 1.00 0.00 C ATOM 433 C LEU A 30 -18.845 16.296 -1.373 1.00 0.00 C ATOM 434 O LEU A 30 -19.760 15.910 -2.071 1.00 0.00 O ATOM 435 CB LEU A 30 -17.151 18.165 -1.379 1.00 0.00 C ATOM 436 CG LEU A 30 -16.680 19.479 -0.747 1.00 0.00 C ATOM 437 CD1 LEU A 30 -15.173 19.634 -1.069 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.457 20.660 -1.358 1.00 0.00 C ATOM 0 H LEU A 30 -18.414 17.952 0.946 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.219 18.385 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.551 17.352 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.946 18.205 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.851 19.469 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.801 20.562 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.623 18.791 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.033 19.659 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.118 21.592 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.281 20.694 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.523 20.531 -1.169 1.00 0.00 H new ATOM 450 N SER A 31 -17.984 15.525 -0.741 1.00 0.00 N ATOM 451 CA SER A 31 -17.946 14.009 -0.737 1.00 0.00 C ATOM 452 C SER A 31 -16.508 13.509 -0.842 1.00 0.00 C ATOM 453 O SER A 31 -15.603 14.269 -1.111 1.00 0.00 O ATOM 454 CB SER A 31 -18.710 13.367 -1.937 1.00 0.00 C ATOM 455 OG SER A 31 -20.082 13.434 -1.570 1.00 0.00 O ATOM 0 H SER A 31 -17.236 15.924 -0.174 1.00 0.00 H new ATOM 0 HA SER A 31 -18.423 13.719 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.521 13.910 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.394 12.337 -2.102 1.00 0.00 H new ATOM 0 HG SER A 31 -20.410 14.348 -1.698 1.00 0.00 H new ATOM 461 N ILE A 32 -16.336 12.228 -0.638 1.00 0.00 N ATOM 462 CA ILE A 32 -14.981 11.597 -0.713 1.00 0.00 C ATOM 463 C ILE A 32 -14.477 11.549 -2.160 1.00 0.00 C ATOM 464 O ILE A 32 -13.373 11.130 -2.437 1.00 0.00 O ATOM 465 CB ILE A 32 -15.108 10.189 -0.111 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.731 9.474 0.019 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.054 9.304 -0.972 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.726 10.301 0.860 1.00 0.00 C ATOM 0 H ILE A 32 -17.092 11.579 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.249 12.181 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.524 10.319 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.872 8.497 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.317 9.301 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.129 8.312 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.043 9.760 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.654 9.219 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.779 9.765 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.564 11.269 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.127 10.452 1.862 1.00 0.00 H new ATOM 480 N GLY A 33 -15.344 11.992 -3.022 1.00 0.00 N ATOM 481 CA GLY A 33 -15.051 12.036 -4.481 1.00 0.00 C ATOM 482 C GLY A 33 -14.767 13.479 -4.897 1.00 0.00 C ATOM 483 O GLY A 33 -14.283 13.714 -5.985 1.00 0.00 O ATOM 0 H GLY A 33 -16.271 12.336 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.193 11.404 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.897 11.643 -5.045 1.00 0.00 H new ATOM 487 N ASP A 34 -15.059 14.407 -4.018 1.00 0.00 N ATOM 488 CA ASP A 34 -14.839 15.846 -4.293 1.00 0.00 C ATOM 489 C ASP A 34 -13.616 16.312 -3.532 1.00 0.00 C ATOM 490 O ASP A 34 -12.786 17.022 -4.051 1.00 0.00 O ATOM 491 CB ASP A 34 -16.077 16.576 -3.845 1.00 0.00 C ATOM 492 CG ASP A 34 -17.228 16.393 -4.851 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.064 16.852 -5.971 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.213 15.801 -4.446 1.00 0.00 O ATOM 0 H ASP A 34 -15.452 14.212 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.664 16.038 -5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.385 16.208 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.855 17.637 -3.732 1.00 0.00 H new ATOM 499 N VAL A 35 -13.550 15.883 -2.311 1.00 0.00 N ATOM 500 CA VAL A 35 -12.426 16.227 -1.405 1.00 0.00 C ATOM 501 C VAL A 35 -11.179 15.525 -1.943 1.00 0.00 C ATOM 502 O VAL A 35 -10.075 15.986 -1.751 1.00 0.00 O ATOM 503 CB VAL A 35 -12.796 15.713 0.006 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.612 15.790 0.994 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.960 16.536 0.596 1.00 0.00 C ATOM 0 H VAL A 35 -14.257 15.284 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.236 17.299 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.083 14.669 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.927 15.417 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.787 15.182 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.285 16.825 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.206 16.159 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.666 17.583 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.832 16.448 -0.051 1.00 0.00 H new ATOM 515 N ALA A 36 -11.421 14.437 -2.625 1.00 0.00 N ATOM 516 CA ALA A 36 -10.337 13.618 -3.205 1.00 0.00 C ATOM 517 C ALA A 36 -10.024 14.044 -4.616 1.00 0.00 C ATOM 518 O ALA A 36 -8.865 14.112 -4.976 1.00 0.00 O ATOM 519 CB ALA A 36 -10.783 12.174 -3.184 1.00 0.00 C ATOM 0 H ALA A 36 -12.359 14.078 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.428 13.749 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.000 11.545 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.978 11.868 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.694 12.066 -3.773 1.00 0.00 H new ATOM 525 N LYS A 37 -11.042 14.323 -5.386 1.00 0.00 N ATOM 526 CA LYS A 37 -10.756 14.742 -6.772 1.00 0.00 C ATOM 527 C LYS A 37 -10.210 16.175 -6.797 1.00 0.00 C ATOM 528 O LYS A 37 -9.336 16.479 -7.583 1.00 0.00 O ATOM 529 CB LYS A 37 -12.047 14.633 -7.586 1.00 0.00 C ATOM 530 CG LYS A 37 -11.683 14.912 -9.036 1.00 0.00 C ATOM 531 CD LYS A 37 -12.851 14.557 -9.965 1.00 0.00 C ATOM 532 CE LYS A 37 -12.406 14.729 -11.429 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.100 16.158 -11.725 1.00 0.00 N ATOM 0 H LYS A 37 -12.026 14.279 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.995 14.095 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.486 13.640 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.789 15.348 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.423 15.964 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.802 14.333 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.172 13.530 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.706 15.199 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.525 14.117 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.191 14.375 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.018 16.290 -12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.865 16.760 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.203 16.423 -11.269 1.00 0.00 H new ATOM 547 N LYS A 38 -10.713 17.020 -5.930 1.00 0.00 N ATOM 548 CA LYS A 38 -10.236 18.427 -5.901 1.00 0.00 C ATOM 549 C LYS A 38 -8.817 18.463 -5.351 1.00 0.00 C ATOM 550 O LYS A 38 -7.947 19.026 -5.985 1.00 0.00 O ATOM 551 CB LYS A 38 -11.187 19.268 -5.014 1.00 0.00 C ATOM 552 CG LYS A 38 -10.748 20.763 -4.978 1.00 0.00 C ATOM 553 CD LYS A 38 -9.807 21.044 -3.770 1.00 0.00 C ATOM 554 CE LYS A 38 -9.293 22.498 -3.834 1.00 0.00 C ATOM 555 NZ LYS A 38 -10.427 23.470 -3.883 1.00 0.00 N ATOM 0 H LYS A 38 -11.432 16.791 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.233 18.845 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.205 19.194 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.196 18.864 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.238 21.017 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.629 21.402 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.342 20.879 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.966 20.351 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.670 22.705 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.663 22.625 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.069 24.430 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.873 23.436 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.129 23.221 -3.157 1.00 0.00 H new ATOM 569 N LEU A 39 -8.572 17.866 -4.208 1.00 0.00 N ATOM 570 CA LEU A 39 -7.184 17.916 -3.685 1.00 0.00 C ATOM 571 C LEU A 39 -6.303 17.064 -4.644 1.00 0.00 C ATOM 572 O LEU A 39 -5.141 17.372 -4.815 1.00 0.00 O ATOM 573 CB LEU A 39 -7.342 17.453 -2.192 1.00 0.00 C ATOM 574 CG LEU A 39 -6.696 16.143 -1.868 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.233 16.402 -1.625 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.234 15.570 -0.551 1.00 0.00 C ATOM 0 H LEU A 39 -9.252 17.364 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.669 18.876 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.921 18.220 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.404 17.386 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.890 15.454 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.732 15.464 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.786 16.834 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.120 17.096 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.746 14.618 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.029 16.268 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.310 15.416 -0.634 1.00 0.00 H new ATOM 588 N GLY A 40 -6.851 16.033 -5.248 1.00 0.00 N ATOM 589 CA GLY A 40 -6.060 15.176 -6.207 1.00 0.00 C ATOM 590 C GLY A 40 -5.410 16.086 -7.243 1.00 0.00 C ATOM 591 O GLY A 40 -4.238 15.991 -7.546 1.00 0.00 O ATOM 0 H GLY A 40 -7.820 15.743 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.299 14.609 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.712 14.452 -6.695 1.00 0.00 H new ATOM 595 N GLU A 41 -6.221 16.963 -7.760 1.00 0.00 N ATOM 596 CA GLU A 41 -5.746 17.925 -8.782 1.00 0.00 C ATOM 597 C GLU A 41 -4.648 18.806 -8.179 1.00 0.00 C ATOM 598 O GLU A 41 -3.571 18.906 -8.727 1.00 0.00 O ATOM 599 CB GLU A 41 -6.923 18.761 -9.208 1.00 0.00 C ATOM 600 CG GLU A 41 -7.934 17.902 -10.010 1.00 0.00 C ATOM 601 CD GLU A 41 -9.247 18.684 -10.215 1.00 0.00 C ATOM 602 OE1 GLU A 41 -9.186 19.694 -10.896 1.00 0.00 O ATOM 603 OE2 GLU A 41 -10.243 18.226 -9.678 1.00 0.00 O ATOM 0 H GLU A 41 -7.206 17.053 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.330 17.406 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.412 19.186 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.581 19.597 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.508 17.632 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.135 16.972 -9.479 1.00 0.00 H new ATOM 610 N MET A 42 -4.968 19.408 -7.056 1.00 0.00 N ATOM 611 CA MET A 42 -4.007 20.309 -6.345 1.00 0.00 C ATOM 612 C MET A 42 -2.626 19.674 -6.273 1.00 0.00 C ATOM 613 O MET A 42 -1.630 20.281 -6.596 1.00 0.00 O ATOM 614 CB MET A 42 -4.510 20.554 -4.960 1.00 0.00 C ATOM 615 CG MET A 42 -5.871 21.277 -4.999 1.00 0.00 C ATOM 616 SD MET A 42 -5.889 23.024 -5.480 1.00 0.00 S ATOM 617 CE MET A 42 -6.452 22.834 -7.191 1.00 0.00 C ATOM 0 H MET A 42 -5.873 19.310 -6.595 1.00 0.00 H new ATOM 0 HA MET A 42 -3.929 21.248 -6.893 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.610 19.607 -4.430 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.789 21.154 -4.406 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.519 20.734 -5.687 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.320 21.198 -4.009 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.117 23.687 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.038 21.917 -7.611 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.541 22.783 -7.212 1.00 0.00 H new ATOM 627 N TRP A 43 -2.652 18.453 -5.822 1.00 0.00 N ATOM 628 CA TRP A 43 -1.447 17.608 -5.666 1.00 0.00 C ATOM 629 C TRP A 43 -0.649 17.618 -6.944 1.00 0.00 C ATOM 630 O TRP A 43 0.525 17.920 -6.940 1.00 0.00 O ATOM 631 CB TRP A 43 -1.914 16.219 -5.331 1.00 0.00 C ATOM 632 CG TRP A 43 -0.747 15.246 -5.367 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.592 14.316 -6.333 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.271 15.174 -4.495 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.528 13.729 -5.985 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.130 14.167 -4.895 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.547 15.898 -3.345 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.264 13.885 -4.149 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.680 15.616 -2.594 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.543 14.606 -2.998 1.00 0.00 C ATOM 0 H TRP A 43 -3.514 17.985 -5.541 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.801 17.984 -4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.372 16.211 -4.342 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.680 15.905 -6.040 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.230 14.108 -7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.919 12.964 -6.535 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.123 16.685 -3.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.934 13.099 -4.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.890 16.181 -1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.427 14.383 -2.419 1.00 0.00 H new ATOM 651 N ASN A 44 -1.344 17.288 -8.002 1.00 0.00 N ATOM 652 CA ASN A 44 -0.665 17.251 -9.329 1.00 0.00 C ATOM 653 C ASN A 44 0.055 18.586 -9.607 1.00 0.00 C ATOM 654 O ASN A 44 1.009 18.628 -10.359 1.00 0.00 O ATOM 655 CB ASN A 44 -1.719 16.944 -10.435 1.00 0.00 C ATOM 656 CG ASN A 44 -2.372 15.589 -10.112 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.671 15.482 -10.137 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.705 14.611 -9.833 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.335 17.047 -8.005 1.00 0.00 H new ATOM 0 HA ASN A 44 0.089 16.464 -9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.473 17.731 -10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.244 16.913 -11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.687 14.678 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.163 13.724 -9.623 1.00 0.00 H new ATOM 665 N ASN A 45 -0.441 19.629 -8.981 1.00 0.00 N ATOM 666 CA ASN A 45 0.146 21.006 -9.135 1.00 0.00 C ATOM 667 C ASN A 45 0.530 21.600 -7.751 1.00 0.00 C ATOM 668 O ASN A 45 0.390 22.793 -7.545 1.00 0.00 O ATOM 669 CB ASN A 45 -0.906 21.917 -9.817 1.00 0.00 C ATOM 670 CG ASN A 45 -1.778 21.085 -10.756 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.003 20.858 -10.373 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.356 20.637 -11.804 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.246 19.585 -8.356 1.00 0.00 H new ATOM 0 HA ASN A 45 1.049 20.946 -9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.526 22.400 -9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.407 22.710 -10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.395 20.824 -12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.963 20.074 -12.399 1.00 0.00 H new ATOM 679 N THR A 46 1.014 20.784 -6.835 1.00 0.00 N ATOM 680 CA THR A 46 1.389 21.330 -5.484 1.00 0.00 C ATOM 681 C THR A 46 2.624 22.226 -5.642 1.00 0.00 C ATOM 682 O THR A 46 2.687 23.306 -5.082 1.00 0.00 O ATOM 683 CB THR A 46 1.673 20.135 -4.491 1.00 0.00 C ATOM 684 OG1 THR A 46 1.867 20.756 -3.228 1.00 0.00 O ATOM 685 CG2 THR A 46 2.998 19.371 -4.716 1.00 0.00 C ATOM 0 H THR A 46 1.163 19.783 -6.961 1.00 0.00 H new ATOM 0 HA THR A 46 0.573 21.924 -5.071 1.00 0.00 H new ATOM 0 HB THR A 46 0.851 19.429 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.689 20.415 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.088 18.574 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.005 18.941 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.837 20.059 -4.611 1.00 0.00 H new ATOM 693 N ALA A 47 3.552 21.721 -6.413 1.00 0.00 N ATOM 694 CA ALA A 47 4.839 22.414 -6.713 1.00 0.00 C ATOM 695 C ALA A 47 5.688 21.434 -7.514 1.00 0.00 C ATOM 696 O ALA A 47 6.186 21.773 -8.569 1.00 0.00 O ATOM 697 CB ALA A 47 5.620 22.779 -5.421 1.00 0.00 C ATOM 0 H ALA A 47 3.463 20.812 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 47 4.630 23.339 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.550 23.282 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.013 23.442 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.846 21.870 -4.863 1.00 0.00 H new ATOM 703 N ALA A 48 5.794 20.259 -6.935 1.00 0.00 N ATOM 704 CA ALA A 48 6.566 19.075 -7.450 1.00 0.00 C ATOM 705 C ALA A 48 7.858 19.075 -6.628 1.00 0.00 C ATOM 706 O ALA A 48 8.544 18.079 -6.497 1.00 0.00 O ATOM 707 CB ALA A 48 6.930 19.189 -8.952 1.00 0.00 C ATOM 0 H ALA A 48 5.334 20.060 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 48 5.970 18.167 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.486 18.303 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.017 19.268 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.543 20.076 -9.111 1.00 0.00 H new ATOM 713 N ASP A 49 8.117 20.241 -6.094 1.00 0.00 N ATOM 714 CA ASP A 49 9.297 20.522 -5.249 1.00 0.00 C ATOM 715 C ASP A 49 8.777 20.488 -3.791 1.00 0.00 C ATOM 716 O ASP A 49 9.538 20.638 -2.854 1.00 0.00 O ATOM 717 CB ASP A 49 9.839 21.919 -5.616 1.00 0.00 C ATOM 718 CG ASP A 49 10.103 22.028 -7.136 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.124 22.031 -7.870 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.270 22.103 -7.481 1.00 0.00 O ATOM 0 H ASP A 49 7.513 21.053 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 49 10.106 19.805 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.123 22.682 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.762 22.111 -5.068 1.00 0.00 H new ATOM 725 N ASP A 50 7.481 20.286 -3.668 1.00 0.00 N ATOM 726 CA ASP A 50 6.781 20.216 -2.348 1.00 0.00 C ATOM 727 C ASP A 50 6.232 18.787 -2.188 1.00 0.00 C ATOM 728 O ASP A 50 5.697 18.438 -1.154 1.00 0.00 O ATOM 729 CB ASP A 50 5.624 21.235 -2.322 1.00 0.00 C ATOM 730 CG ASP A 50 4.870 21.150 -0.980 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.489 21.474 0.022 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.714 20.761 -1.032 1.00 0.00 O ATOM 0 H ASP A 50 6.859 20.162 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 50 7.465 20.452 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.014 22.243 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.938 21.039 -3.146 1.00 0.00 H new ATOM 737 N LYS A 51 6.386 17.995 -3.224 1.00 0.00 N ATOM 738 CA LYS A 51 5.900 16.588 -3.184 1.00 0.00 C ATOM 739 C LYS A 51 7.070 15.850 -2.579 1.00 0.00 C ATOM 740 O LYS A 51 6.877 15.077 -1.675 1.00 0.00 O ATOM 741 CB LYS A 51 5.665 15.971 -4.566 1.00 0.00 C ATOM 742 CG LYS A 51 4.541 16.654 -5.306 1.00 0.00 C ATOM 743 CD LYS A 51 4.225 15.830 -6.567 1.00 0.00 C ATOM 744 CE LYS A 51 3.183 16.585 -7.393 1.00 0.00 C ATOM 745 NZ LYS A 51 3.824 17.594 -8.284 1.00 0.00 N ATOM 0 H LYS A 51 6.831 18.270 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 51 4.949 16.535 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.580 16.039 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.435 14.911 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.659 16.730 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.827 17.670 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.131 15.672 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.848 14.845 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.610 15.878 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.478 17.081 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.205 17.780 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.976 18.477 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.738 17.230 -8.620 1.00 0.00 H new ATOM 759 N GLN A 52 8.234 16.116 -3.123 1.00 0.00 N ATOM 760 CA GLN A 52 9.521 15.502 -2.672 1.00 0.00 C ATOM 761 C GLN A 52 9.482 14.975 -1.214 1.00 0.00 C ATOM 762 O GLN A 52 9.714 13.802 -1.031 1.00 0.00 O ATOM 763 CB GLN A 52 10.638 16.578 -2.861 1.00 0.00 C ATOM 764 CG GLN A 52 11.913 15.941 -3.456 1.00 0.00 C ATOM 765 CD GLN A 52 11.694 15.445 -4.905 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.532 15.573 -5.492 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.602 14.927 -5.523 1.00 0.00 N flip ATOM 0 H GLN A 52 8.346 16.767 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 52 9.720 14.616 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.280 17.370 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.870 17.041 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.723 16.670 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.226 15.105 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.517 14.816 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.449 14.603 -6.478 1.00 0.00 H new ATOM 776 N PRO A 53 9.194 15.801 -0.225 1.00 0.00 N ATOM 777 CA PRO A 53 9.011 15.353 1.194 1.00 0.00 C ATOM 778 C PRO A 53 8.102 14.122 1.369 1.00 0.00 C ATOM 779 O PRO A 53 8.468 13.143 1.992 1.00 0.00 O ATOM 780 CB PRO A 53 8.470 16.602 1.914 1.00 0.00 C ATOM 781 CG PRO A 53 7.905 17.464 0.759 1.00 0.00 C ATOM 782 CD PRO A 53 8.970 17.271 -0.325 1.00 0.00 C ATOM 0 HA PRO A 53 9.952 14.996 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.698 16.345 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.257 17.125 2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.923 17.119 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.797 18.510 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.617 17.571 -1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.876 17.843 -0.123 1.00 0.00 H new ATOM 790 N TYR A 54 6.938 14.233 0.789 1.00 0.00 N ATOM 791 CA TYR A 54 5.910 13.142 0.854 1.00 0.00 C ATOM 792 C TYR A 54 6.332 11.962 -0.030 1.00 0.00 C ATOM 793 O TYR A 54 6.330 10.819 0.378 1.00 0.00 O ATOM 794 CB TYR A 54 4.557 13.698 0.366 1.00 0.00 C ATOM 795 CG TYR A 54 4.057 14.833 1.283 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.850 14.611 2.632 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.801 16.090 0.770 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.394 15.623 3.449 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.346 17.102 1.587 1.00 0.00 C ATOM 800 CZ TYR A 54 3.140 16.877 2.933 1.00 0.00 C ATOM 801 OH TYR A 54 2.681 17.891 3.749 1.00 0.00 O ATOM 0 H TYR A 54 6.645 15.053 0.258 1.00 0.00 H new ATOM 0 HA TYR A 54 5.819 12.792 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.660 14.069 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.819 12.896 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.048 13.635 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.959 16.281 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.234 15.433 4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.149 18.079 1.171 1.00 0.00 H new ATOM 0 HH TYR A 54 1.867 17.597 4.209 1.00 0.00 H new ATOM 811 N GLU A 55 6.682 12.298 -1.241 1.00 0.00 N ATOM 812 CA GLU A 55 7.128 11.284 -2.243 1.00 0.00 C ATOM 813 C GLU A 55 8.249 10.381 -1.692 1.00 0.00 C ATOM 814 O GLU A 55 8.148 9.171 -1.722 1.00 0.00 O ATOM 815 CB GLU A 55 7.585 12.060 -3.490 1.00 0.00 C ATOM 816 CG GLU A 55 6.688 11.669 -4.680 1.00 0.00 C ATOM 817 CD GLU A 55 7.168 12.389 -5.954 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.109 13.609 -5.954 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.571 11.677 -6.861 1.00 0.00 O ATOM 0 H GLU A 55 6.678 13.257 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 55 6.308 10.609 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.524 13.133 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.627 11.833 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.716 10.590 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.652 11.935 -4.469 1.00 0.00 H new ATOM 826 N LYS A 56 9.289 11.009 -1.213 1.00 0.00 N ATOM 827 CA LYS A 56 10.469 10.301 -0.630 1.00 0.00 C ATOM 828 C LYS A 56 9.997 9.239 0.374 1.00 0.00 C ATOM 829 O LYS A 56 10.574 8.175 0.495 1.00 0.00 O ATOM 830 CB LYS A 56 11.358 11.385 0.037 1.00 0.00 C ATOM 831 CG LYS A 56 12.532 10.782 0.846 1.00 0.00 C ATOM 832 CD LYS A 56 13.444 11.944 1.329 1.00 0.00 C ATOM 833 CE LYS A 56 14.536 11.415 2.275 1.00 0.00 C ATOM 834 NZ LYS A 56 13.919 10.922 3.540 1.00 0.00 N ATOM 0 H LYS A 56 9.372 12.026 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 56 11.044 9.774 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.755 12.047 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.744 11.997 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.154 10.217 1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.100 10.086 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.904 12.434 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.844 12.696 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.088 10.609 1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.253 12.206 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.648 10.854 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.177 11.584 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.501 9.983 3.379 1.00 0.00 H new ATOM 848 N LYS A 57 8.929 9.575 1.054 1.00 0.00 N ATOM 849 CA LYS A 57 8.356 8.647 2.069 1.00 0.00 C ATOM 850 C LYS A 57 7.762 7.458 1.301 1.00 0.00 C ATOM 851 O LYS A 57 8.155 6.326 1.507 1.00 0.00 O ATOM 852 CB LYS A 57 7.261 9.397 2.870 1.00 0.00 C ATOM 853 CG LYS A 57 7.385 9.119 4.386 1.00 0.00 C ATOM 854 CD LYS A 57 7.367 7.602 4.700 1.00 0.00 C ATOM 855 CE LYS A 57 7.369 7.412 6.228 1.00 0.00 C ATOM 856 NZ LYS A 57 6.111 7.958 6.814 1.00 0.00 N ATOM 0 H LYS A 57 8.429 10.458 0.947 1.00 0.00 H new ATOM 0 HA LYS A 57 9.108 8.295 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.343 10.468 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.276 9.088 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.311 9.556 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.566 9.608 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.484 7.136 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.236 7.115 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.463 6.353 6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.231 7.917 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.930 7.504 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.208 8.985 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.317 7.767 6.171 1.00 0.00 H new ATOM 870 N ALA A 58 6.821 7.764 0.438 1.00 0.00 N ATOM 871 CA ALA A 58 6.143 6.717 -0.400 1.00 0.00 C ATOM 872 C ALA A 58 7.162 5.680 -0.908 1.00 0.00 C ATOM 873 O ALA A 58 6.978 4.488 -0.756 1.00 0.00 O ATOM 874 CB ALA A 58 5.454 7.395 -1.595 1.00 0.00 C ATOM 0 H ALA A 58 6.487 8.714 0.275 1.00 0.00 H new ATOM 0 HA ALA A 58 5.404 6.200 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.960 6.640 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.714 8.108 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.198 7.918 -2.195 1.00 0.00 H new ATOM 880 N ALA A 59 8.213 6.195 -1.503 1.00 0.00 N ATOM 881 CA ALA A 59 9.311 5.334 -2.054 1.00 0.00 C ATOM 882 C ALA A 59 9.752 4.302 -0.998 1.00 0.00 C ATOM 883 O ALA A 59 9.649 3.110 -1.200 1.00 0.00 O ATOM 884 CB ALA A 59 10.496 6.239 -2.451 1.00 0.00 C ATOM 0 H ALA A 59 8.359 7.196 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 59 8.956 4.793 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.303 5.626 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.171 6.953 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.853 6.777 -1.573 1.00 0.00 H new ATOM 890 N LYS A 60 10.233 4.821 0.108 1.00 0.00 N ATOM 891 CA LYS A 60 10.713 3.997 1.259 1.00 0.00 C ATOM 892 C LYS A 60 9.745 2.835 1.544 1.00 0.00 C ATOM 893 O LYS A 60 10.150 1.706 1.725 1.00 0.00 O ATOM 894 CB LYS A 60 10.832 4.914 2.499 1.00 0.00 C ATOM 895 CG LYS A 60 11.834 4.311 3.525 1.00 0.00 C ATOM 896 CD LYS A 60 13.304 4.494 3.036 1.00 0.00 C ATOM 897 CE LYS A 60 13.738 5.977 3.157 1.00 0.00 C ATOM 898 NZ LYS A 60 13.793 6.380 4.592 1.00 0.00 N ATOM 0 H LYS A 60 10.314 5.826 0.263 1.00 0.00 H new ATOM 0 HA LYS A 60 11.684 3.564 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.166 5.906 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.854 5.036 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.705 4.795 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.622 3.251 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.970 3.865 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.392 4.167 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.715 6.117 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.036 6.614 2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.389 7.226 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.833 6.591 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.196 5.604 5.155 1.00 0.00 H new ATOM 912 N LEU A 61 8.477 3.151 1.574 1.00 0.00 N ATOM 913 CA LEU A 61 7.454 2.091 1.843 1.00 0.00 C ATOM 914 C LEU A 61 7.450 1.068 0.701 1.00 0.00 C ATOM 915 O LEU A 61 7.624 -0.103 0.972 1.00 0.00 O ATOM 916 CB LEU A 61 6.092 2.787 2.002 1.00 0.00 C ATOM 917 CG LEU A 61 6.246 3.913 3.070 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.885 4.536 3.329 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.877 3.382 4.393 1.00 0.00 C ATOM 0 H LEU A 61 8.105 4.089 1.425 1.00 0.00 H new ATOM 0 HA LEU A 61 7.682 1.542 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.766 3.207 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.332 2.070 2.312 1.00 0.00 H new ATOM 0 HG LEU A 61 6.929 4.669 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.982 5.325 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.496 4.958 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.199 3.772 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.965 4.200 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.242 2.601 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.866 2.973 4.186 1.00 0.00 H new ATOM 931 N LYS A 62 7.248 1.507 -0.520 1.00 0.00 N ATOM 932 CA LYS A 62 7.243 0.571 -1.708 1.00 0.00 C ATOM 933 C LYS A 62 8.389 -0.456 -1.531 1.00 0.00 C ATOM 934 O LYS A 62 8.230 -1.656 -1.645 1.00 0.00 O ATOM 935 CB LYS A 62 7.493 1.368 -3.012 1.00 0.00 C ATOM 936 CG LYS A 62 7.435 0.423 -4.248 1.00 0.00 C ATOM 937 CD LYS A 62 8.177 1.090 -5.430 1.00 0.00 C ATOM 938 CE LYS A 62 8.050 0.231 -6.707 1.00 0.00 C ATOM 939 NZ LYS A 62 8.568 -1.153 -6.487 1.00 0.00 N ATOM 0 H LYS A 62 7.084 2.486 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 62 6.278 0.069 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.746 2.155 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.466 1.857 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.894 -0.537 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.399 0.222 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.765 2.083 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.229 1.222 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.005 0.185 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.601 0.702 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.643 -1.645 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.506 -1.106 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.916 -1.673 -5.866 1.00 0.00 H new