USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 14 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0548) USER MOD Single : A 16 HIS : no HE2:sc= -8.02! C(o=-8!,f=-9!) USER MOD Single : A 17 TYR OH : rot -15:sc= -1.74! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -56:sc= -2.18! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.96 USER MOD Single : A 24 GLN : amide:sc=-0.00101 X(o=-0.001,f=-0.089) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0462 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 51 SER OG : rot -9:sc= -1.28! USER MOD Single : A 54 ASN : amide:sc= -2.67! C(o=-2.7!,f=-10!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.036) USER MOD Single : A 63 THR OG1 : rot 125:sc= 1.09 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0.918 (180deg=0.633) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.98) USER MOD Single : A 71 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-6.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.864 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 71:sc= -1.12 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.02! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 109:sc= 1.11 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.503 K(o=-0.5,f=-2.4!) USER MOD Single : A 131 LYS NZ :NH3+ 157:sc= 0.348 (180deg=0.139) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.699 15.322 -4.557 1.00 0.00 N ATOM 133 CA ALA A 12 12.924 14.702 -3.496 1.00 0.00 C ATOM 134 C ALA A 12 12.268 13.427 -4.028 1.00 0.00 C ATOM 135 O ALA A 12 12.004 13.313 -5.224 1.00 0.00 O ATOM 136 CB ALA A 12 11.899 15.705 -2.960 1.00 0.00 C ATOM 0 HA ALA A 12 13.569 14.419 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.317 15.240 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.417 16.580 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.232 16.010 -3.766 1.00 0.00 H new ATOM 142 N PRO A 13 12.017 12.475 -3.090 1.00 0.00 N ATOM 143 CA PRO A 13 11.397 11.212 -3.452 1.00 0.00 C ATOM 144 C PRO A 13 9.901 11.392 -3.720 1.00 0.00 C ATOM 145 O PRO A 13 9.153 11.797 -2.831 1.00 0.00 O ATOM 146 CB PRO A 13 11.684 10.283 -2.284 1.00 0.00 C ATOM 147 CG PRO A 13 12.047 11.184 -1.115 1.00 0.00 C ATOM 148 CD PRO A 13 12.316 12.575 -1.664 1.00 0.00 C ATOM 0 HA PRO A 13 11.795 10.799 -4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.814 9.670 -2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.500 9.600 -2.519 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.236 11.211 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.927 10.801 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.686 13.321 -1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.351 12.874 -1.496 1.00 0.00 H new ATOM 156 N LYS A 14 9.510 11.082 -4.947 1.00 0.00 N ATOM 157 CA LYS A 14 8.117 11.205 -5.342 1.00 0.00 C ATOM 158 C LYS A 14 7.496 9.810 -5.446 1.00 0.00 C ATOM 159 O LYS A 14 8.173 8.851 -5.815 1.00 0.00 O ATOM 160 CB LYS A 14 7.995 12.030 -6.625 1.00 0.00 C ATOM 161 CG LYS A 14 7.429 13.420 -6.330 1.00 0.00 C ATOM 162 CD LYS A 14 6.806 14.036 -7.585 1.00 0.00 C ATOM 163 CE LYS A 14 7.876 14.678 -8.470 1.00 0.00 C ATOM 164 NZ LYS A 14 8.301 15.980 -7.908 1.00 0.00 N ATOM 0 H LYS A 14 10.133 10.746 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 14 7.553 11.750 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.974 12.124 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.349 11.513 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.678 13.351 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.222 14.068 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.277 13.267 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.068 14.785 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.736 14.013 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.486 14.820 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.882 16.486 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.462 16.550 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.858 15.820 -7.044 1.00 0.00 H new ATOM 178 N LEU A 15 6.215 9.741 -5.115 1.00 0.00 N ATOM 179 CA LEU A 15 5.496 8.480 -5.167 1.00 0.00 C ATOM 180 C LEU A 15 4.069 8.732 -5.658 1.00 0.00 C ATOM 181 O LEU A 15 3.288 9.407 -4.989 1.00 0.00 O ATOM 182 CB LEU A 15 5.564 7.768 -3.814 1.00 0.00 C ATOM 183 CG LEU A 15 4.442 6.769 -3.525 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.323 5.738 -4.650 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.636 6.107 -2.159 1.00 0.00 C ATOM 0 H LEU A 15 5.657 10.538 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 15 5.965 7.803 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.517 7.243 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.563 8.523 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 15 3.499 7.315 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.518 5.040 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.104 6.247 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.262 5.192 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.825 5.401 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.588 5.577 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.633 6.870 -1.381 1.00 0.00 H new ATOM 197 N HIS A 16 3.771 8.175 -6.823 1.00 0.00 N ATOM 198 CA HIS A 16 2.452 8.330 -7.412 1.00 0.00 C ATOM 199 C HIS A 16 1.509 7.266 -6.847 1.00 0.00 C ATOM 200 O HIS A 16 1.926 6.139 -6.584 1.00 0.00 O ATOM 201 CB HIS A 16 2.531 8.302 -8.939 1.00 0.00 C ATOM 202 CG HIS A 16 1.269 8.762 -9.629 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.481 7.918 -10.392 1.00 0.00 N ATOM 204 CD2 HIS A 16 0.668 9.986 -9.662 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.545 8.614 -10.859 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.428 9.895 -10.406 1.00 0.00 N ATOM 0 H HIS A 16 4.421 7.615 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 16 2.044 9.305 -7.146 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.359 8.933 -9.261 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.760 7.286 -9.262 1.00 0.00 H new ATOM 0 HD1 HIS A 16 0.660 6.929 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.023 10.878 -9.167 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.336 8.233 -11.488 1.00 0.00 H new ATOM 214 N TYR A 17 0.256 7.660 -6.678 1.00 0.00 N ATOM 215 CA TYR A 17 -0.749 6.754 -6.150 1.00 0.00 C ATOM 216 C TYR A 17 -2.159 7.234 -6.500 1.00 0.00 C ATOM 217 O TYR A 17 -2.437 8.432 -6.466 1.00 0.00 O ATOM 218 CB TYR A 17 -0.580 6.776 -4.629 1.00 0.00 C ATOM 219 CG TYR A 17 -0.459 8.182 -4.037 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.595 8.886 -3.693 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.786 8.745 -3.846 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.482 10.209 -3.136 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.900 10.068 -3.288 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.240 10.734 -2.961 1.00 0.00 C ATOM 225 OH TYR A 17 -0.132 11.984 -2.434 1.00 0.00 O ATOM 0 H TYR A 17 -0.086 8.595 -6.898 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.624 5.756 -6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.432 6.272 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.309 6.203 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.569 8.444 -3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.675 8.194 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.363 10.771 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.868 10.521 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.003 12.431 -2.471 1.00 0.00 H new ATOM 235 N CYS A 18 -3.012 6.275 -6.830 1.00 0.00 N ATOM 236 CA CYS A 18 -4.386 6.584 -7.186 1.00 0.00 C ATOM 237 C CYS A 18 -5.303 6.024 -6.098 1.00 0.00 C ATOM 238 O CYS A 18 -5.453 4.809 -5.972 1.00 0.00 O ATOM 239 CB CYS A 18 -4.746 6.043 -8.571 1.00 0.00 C ATOM 240 SG CYS A 18 -6.561 6.087 -8.807 1.00 0.00 S ATOM 0 H CYS A 18 -2.777 5.283 -6.858 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.514 7.665 -7.245 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.256 6.638 -9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.382 5.021 -8.678 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.856 5.627 -9.987 1.00 0.00 H new ATOM 246 N LEU A 19 -5.892 6.935 -5.338 1.00 0.00 N ATOM 247 CA LEU A 19 -6.791 6.547 -4.264 1.00 0.00 C ATOM 248 C LEU A 19 -8.193 6.323 -4.834 1.00 0.00 C ATOM 249 O LEU A 19 -8.754 7.210 -5.476 1.00 0.00 O ATOM 250 CB LEU A 19 -6.744 7.572 -3.129 1.00 0.00 C ATOM 251 CG LEU A 19 -5.350 7.946 -2.621 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.399 6.750 -2.698 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.803 9.164 -3.368 1.00 0.00 C ATOM 0 H LEU A 19 -5.764 7.941 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.472 5.603 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.242 8.481 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.322 7.183 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.432 8.224 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.415 7.043 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.787 5.936 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.316 6.417 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.811 9.409 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.738 8.939 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.469 10.013 -3.217 1.00 0.00 H new ATOM 265 N ASP A 20 -8.719 5.134 -4.578 1.00 0.00 N ATOM 266 CA ASP A 20 -10.045 4.784 -5.057 1.00 0.00 C ATOM 267 C ASP A 20 -10.667 3.752 -4.114 1.00 0.00 C ATOM 268 O ASP A 20 -10.182 2.626 -4.013 1.00 0.00 O ATOM 269 CB ASP A 20 -9.980 4.167 -6.456 1.00 0.00 C ATOM 270 CG ASP A 20 -11.308 3.621 -6.984 1.00 0.00 C ATOM 271 OD1 ASP A 20 -11.878 2.749 -6.294 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.723 4.089 -8.067 1.00 0.00 O ATOM 0 H ASP A 20 -8.251 4.401 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.642 5.695 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.612 4.920 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.250 3.358 -6.446 1.00 0.00 H new ATOM 277 N TYR A 21 -11.731 4.173 -3.447 1.00 0.00 N ATOM 278 CA TYR A 21 -12.425 3.299 -2.516 1.00 0.00 C ATOM 279 C TYR A 21 -13.652 2.663 -3.171 1.00 0.00 C ATOM 280 O TYR A 21 -14.605 3.359 -3.520 1.00 0.00 O ATOM 281 CB TYR A 21 -12.883 4.193 -1.361 1.00 0.00 C ATOM 282 CG TYR A 21 -13.443 3.423 -0.163 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.586 2.913 0.791 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.804 3.239 -0.037 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.112 2.188 1.918 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.331 2.514 1.091 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.459 2.025 2.013 1.00 0.00 C ATOM 288 OH TYR A 21 -14.957 1.341 3.078 1.00 0.00 O ATOM 0 H TYR A 21 -12.130 5.108 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.771 2.492 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.041 4.800 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.646 4.880 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.520 3.058 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.474 3.638 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.452 1.783 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.395 2.362 1.202 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.546 0.452 3.117 1.00 0.00 H new ATOM 298 N ASP A 22 -13.591 1.348 -3.317 1.00 0.00 N ATOM 299 CA ASP A 22 -14.686 0.610 -3.924 1.00 0.00 C ATOM 300 C ASP A 22 -15.640 0.129 -2.829 1.00 0.00 C ATOM 301 O ASP A 22 -15.512 -0.991 -2.338 1.00 0.00 O ATOM 302 CB ASP A 22 -14.172 -0.618 -4.677 1.00 0.00 C ATOM 303 CG ASP A 22 -15.005 -1.027 -5.893 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.225 -0.756 -5.862 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.403 -1.602 -6.826 1.00 0.00 O ATOM 0 H ASP A 22 -12.800 0.774 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.194 1.275 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.151 -0.424 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.130 -1.459 -3.985 1.00 0.00 H new ATOM 310 N CYS A 23 -16.574 1.001 -2.478 1.00 0.00 N ATOM 311 CA CYS A 23 -17.549 0.679 -1.450 1.00 0.00 C ATOM 312 C CYS A 23 -18.010 -0.765 -1.660 1.00 0.00 C ATOM 313 O CYS A 23 -18.238 -1.494 -0.696 1.00 0.00 O ATOM 314 CB CYS A 23 -18.723 1.660 -1.457 1.00 0.00 C ATOM 315 SG CYS A 23 -19.841 1.288 -2.858 1.00 0.00 S ATOM 0 H CYS A 23 -16.676 1.930 -2.887 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.089 0.773 -0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.270 1.592 -0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.353 2.682 -1.538 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.836 2.125 -2.854 1.00 0.00 H new ATOM 321 N GLN A 24 -18.134 -1.134 -2.927 1.00 0.00 N ATOM 322 CA GLN A 24 -18.563 -2.478 -3.276 1.00 0.00 C ATOM 323 C GLN A 24 -17.668 -3.515 -2.596 1.00 0.00 C ATOM 324 O GLN A 24 -18.161 -4.469 -1.996 1.00 0.00 O ATOM 325 CB GLN A 24 -18.574 -2.673 -4.793 1.00 0.00 C ATOM 326 CG GLN A 24 -19.190 -1.463 -5.498 1.00 0.00 C ATOM 327 CD GLN A 24 -20.317 -1.891 -6.440 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.243 -2.590 -6.063 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.186 -1.435 -7.682 1.00 0.00 N ATOM 0 H GLN A 24 -17.945 -0.526 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.583 -2.617 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.556 -2.827 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.139 -3.571 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.577 -0.764 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.421 -0.936 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.385 -0.854 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.886 -1.666 -8.387 1.00 0.00 H new ATOM 338 N LYS A 25 -16.366 -3.294 -2.712 1.00 0.00 N ATOM 339 CA LYS A 25 -15.398 -4.198 -2.116 1.00 0.00 C ATOM 340 C LYS A 25 -15.120 -3.763 -0.675 1.00 0.00 C ATOM 341 O LYS A 25 -14.749 -4.582 0.164 1.00 0.00 O ATOM 342 CB LYS A 25 -14.141 -4.285 -2.985 1.00 0.00 C ATOM 343 CG LYS A 25 -14.500 -4.250 -4.472 1.00 0.00 C ATOM 344 CD LYS A 25 -13.457 -4.997 -5.305 1.00 0.00 C ATOM 345 CE LYS A 25 -14.129 -5.897 -6.344 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.533 -7.252 -6.319 1.00 0.00 N ATOM 0 H LYS A 25 -15.960 -2.502 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.799 -5.211 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.473 -3.457 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.601 -5.204 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.481 -4.699 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.567 -3.216 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.805 -4.281 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.826 -5.599 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.198 -5.960 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.017 -5.462 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.000 -7.850 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.517 -7.189 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.662 -7.671 -5.376 1.00 0.00 H new ATOM 360 N ALA A 26 -15.310 -2.474 -0.433 1.00 0.00 N ATOM 361 CA ALA A 26 -15.084 -1.920 0.891 1.00 0.00 C ATOM 362 C ALA A 26 -13.590 -1.977 1.216 1.00 0.00 C ATOM 363 O ALA A 26 -13.208 -2.277 2.346 1.00 0.00 O ATOM 364 CB ALA A 26 -15.932 -2.680 1.913 1.00 0.00 C ATOM 0 H ALA A 26 -15.618 -1.798 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.389 -0.874 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.763 -2.265 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.986 -2.584 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.651 -3.733 1.907 1.00 0.00 H new ATOM 370 N GLU A 27 -12.786 -1.685 0.204 1.00 0.00 N ATOM 371 CA GLU A 27 -11.342 -1.700 0.367 1.00 0.00 C ATOM 372 C GLU A 27 -10.710 -0.536 -0.400 1.00 0.00 C ATOM 373 O GLU A 27 -11.082 -0.265 -1.540 1.00 0.00 O ATOM 374 CB GLU A 27 -10.753 -3.038 -0.083 1.00 0.00 C ATOM 375 CG GLU A 27 -11.357 -4.198 0.711 1.00 0.00 C ATOM 376 CD GLU A 27 -10.269 -5.160 1.192 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.161 -4.661 1.486 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.569 -6.371 1.254 1.00 0.00 O ATOM 0 H GLU A 27 -13.107 -1.437 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.114 -1.579 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.942 -3.183 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.671 -3.026 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.908 -3.809 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.073 -4.735 0.089 1.00 0.00 H new ATOM 385 N LEU A 28 -9.764 0.119 0.258 1.00 0.00 N ATOM 386 CA LEU A 28 -9.077 1.247 -0.348 1.00 0.00 C ATOM 387 C LEU A 28 -8.035 0.729 -1.342 1.00 0.00 C ATOM 388 O LEU A 28 -7.394 -0.292 -1.100 1.00 0.00 O ATOM 389 CB LEU A 28 -8.495 2.162 0.731 1.00 0.00 C ATOM 390 CG LEU A 28 -7.998 3.529 0.255 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.685 3.395 -0.519 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.073 4.250 -0.560 1.00 0.00 C ATOM 0 H LEU A 28 -9.458 -0.110 1.204 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.778 1.863 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.257 2.320 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.665 1.643 1.211 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.794 4.143 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.353 4.380 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.926 2.952 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.839 2.757 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.694 5.219 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.332 3.650 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.960 4.396 0.056 1.00 0.00 H new ATOM 404 N PHE A 29 -7.899 1.458 -2.440 1.00 0.00 N ATOM 405 CA PHE A 29 -6.946 1.086 -3.472 1.00 0.00 C ATOM 406 C PHE A 29 -5.973 2.231 -3.759 1.00 0.00 C ATOM 407 O PHE A 29 -6.358 3.399 -3.733 1.00 0.00 O ATOM 408 CB PHE A 29 -7.752 0.787 -4.738 1.00 0.00 C ATOM 409 CG PHE A 29 -8.618 -0.470 -4.642 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.804 -0.430 -3.978 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.203 -1.628 -5.222 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.608 -1.597 -3.889 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.007 -2.795 -5.133 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.193 -2.755 -4.469 1.00 0.00 C ATOM 0 H PHE A 29 -8.433 2.304 -2.637 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.364 0.224 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.392 1.641 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.065 0.679 -5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.135 0.490 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.262 -1.660 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.549 -1.565 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.676 -3.715 -5.593 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.805 -3.642 -4.402 1.00 0.00 H new ATOM 424 N VAL A 30 -4.730 1.856 -4.027 1.00 0.00 N ATOM 425 CA VAL A 30 -3.699 2.837 -4.318 1.00 0.00 C ATOM 426 C VAL A 30 -2.954 2.425 -5.589 1.00 0.00 C ATOM 427 O VAL A 30 -1.791 2.030 -5.531 1.00 0.00 O ATOM 428 CB VAL A 30 -2.775 3.000 -3.110 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.642 3.982 -3.415 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.562 3.438 -1.873 1.00 0.00 C ATOM 0 H VAL A 30 -4.414 0.886 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.144 3.815 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.328 2.029 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.000 4.080 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.056 3.611 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.062 4.956 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.882 3.547 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.050 4.392 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.316 2.687 -1.637 1.00 0.00 H new ATOM 440 N THR A 31 -3.655 2.532 -6.709 1.00 0.00 N ATOM 441 CA THR A 31 -3.074 2.175 -7.992 1.00 0.00 C ATOM 442 C THR A 31 -2.170 3.300 -8.500 1.00 0.00 C ATOM 443 O THR A 31 -1.809 4.200 -7.743 1.00 0.00 O ATOM 444 CB THR A 31 -4.218 1.835 -8.950 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.094 2.955 -8.856 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.063 0.658 -8.459 1.00 0.00 C ATOM 0 H THR A 31 -4.620 2.861 -6.754 1.00 0.00 H new ATOM 0 HA THR A 31 -2.431 1.299 -7.905 1.00 0.00 H new ATOM 0 HB THR A 31 -3.810 1.603 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.864 2.819 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.860 0.459 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.433 -0.226 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.498 0.902 -7.490 1.00 0.00 H new ATOM 454 N ARG A 32 -1.831 3.213 -9.777 1.00 0.00 N ATOM 455 CA ARG A 32 -0.976 4.212 -10.395 1.00 0.00 C ATOM 456 C ARG A 32 0.254 4.470 -9.523 1.00 0.00 C ATOM 457 O ARG A 32 0.476 5.593 -9.073 1.00 0.00 O ATOM 458 CB ARG A 32 -1.729 5.527 -10.604 1.00 0.00 C ATOM 459 CG ARG A 32 -3.017 5.302 -11.398 1.00 0.00 C ATOM 460 CD ARG A 32 -2.733 5.247 -12.901 1.00 0.00 C ATOM 461 NE ARG A 32 -4.003 5.138 -13.653 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.085 4.770 -14.939 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.972 4.474 -15.623 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.281 4.699 -15.540 1.00 0.00 N ATOM 0 H ARG A 32 -2.133 2.465 -10.402 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.663 3.827 -11.366 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.967 5.972 -9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.091 6.235 -11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.487 4.372 -11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.723 6.105 -11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.193 6.142 -13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.093 4.395 -13.127 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.870 5.357 -13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.062 4.529 -15.165 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.034 4.194 -16.602 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.128 4.925 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.344 4.419 -16.519 1.00 0.00 H new ATOM 478 N LEU A 33 1.022 3.411 -9.311 1.00 0.00 N ATOM 479 CA LEU A 33 2.224 3.509 -8.501 1.00 0.00 C ATOM 480 C LEU A 33 3.416 3.839 -9.402 1.00 0.00 C ATOM 481 O LEU A 33 3.744 3.075 -10.309 1.00 0.00 O ATOM 482 CB LEU A 33 2.416 2.238 -7.671 1.00 0.00 C ATOM 483 CG LEU A 33 1.528 2.107 -6.431 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.582 0.686 -5.866 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.897 3.156 -5.380 1.00 0.00 C ATOM 0 H LEU A 33 0.835 2.481 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 33 2.132 4.322 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.237 1.377 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.458 2.188 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 33 0.496 2.297 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.943 0.620 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.234 -0.019 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.608 0.444 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.251 3.041 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.937 3.022 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.766 4.153 -5.800 1.00 0.00 H new ATOM 497 N GLU A 34 4.031 4.979 -9.122 1.00 0.00 N ATOM 498 CA GLU A 34 5.179 5.420 -9.896 1.00 0.00 C ATOM 499 C GLU A 34 6.129 6.236 -9.018 1.00 0.00 C ATOM 500 O GLU A 34 5.996 7.455 -8.919 1.00 0.00 O ATOM 501 CB GLU A 34 4.738 6.223 -11.121 1.00 0.00 C ATOM 502 CG GLU A 34 4.468 5.302 -12.312 1.00 0.00 C ATOM 503 CD GLU A 34 2.994 5.351 -12.720 1.00 0.00 C ATOM 504 OE1 GLU A 34 2.587 6.406 -13.252 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.307 4.332 -12.490 1.00 0.00 O ATOM 0 H GLU A 34 3.756 5.611 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 34 5.712 4.539 -10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.838 6.790 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.510 6.946 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.092 5.599 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.744 4.279 -12.055 1.00 0.00 H new ATOM 512 N ALA A 35 7.067 5.531 -8.402 1.00 0.00 N ATOM 513 CA ALA A 35 8.039 6.176 -7.535 1.00 0.00 C ATOM 514 C ALA A 35 9.021 6.982 -8.388 1.00 0.00 C ATOM 515 O ALA A 35 9.491 6.503 -9.419 1.00 0.00 O ATOM 516 CB ALA A 35 8.741 5.119 -6.680 1.00 0.00 C ATOM 0 H ALA A 35 7.175 4.520 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 35 7.546 6.871 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.470 5.602 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.004 4.595 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.250 4.406 -7.328 1.00 0.00 H new ATOM 522 N VAL A 36 9.302 8.191 -7.926 1.00 0.00 N ATOM 523 CA VAL A 36 10.219 9.068 -8.634 1.00 0.00 C ATOM 524 C VAL A 36 11.409 9.393 -7.728 1.00 0.00 C ATOM 525 O VAL A 36 11.460 10.463 -7.123 1.00 0.00 O ATOM 526 CB VAL A 36 9.480 10.317 -9.120 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.446 11.489 -9.304 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.711 10.031 -10.411 1.00 0.00 C ATOM 0 H VAL A 36 8.911 8.584 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 36 10.611 8.573 -9.522 1.00 0.00 H new ATOM 0 HB VAL A 36 8.756 10.597 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.895 12.364 -9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.928 11.716 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.204 11.223 -10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.195 10.935 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.408 9.713 -11.187 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.982 9.241 -10.233 1.00 0.00 H new ATOM 631 N ASP A 45 16.310 -4.131 -4.628 1.00 0.00 N ATOM 632 CA ASP A 45 14.905 -4.334 -4.934 1.00 0.00 C ATOM 633 C ASP A 45 14.054 -3.474 -3.997 1.00 0.00 C ATOM 634 O ASP A 45 14.055 -3.683 -2.785 1.00 0.00 O ATOM 635 CB ASP A 45 14.502 -5.796 -4.730 1.00 0.00 C ATOM 636 CG ASP A 45 13.874 -6.470 -5.951 1.00 0.00 C ATOM 637 OD1 ASP A 45 13.862 -5.816 -7.017 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.419 -7.623 -5.792 1.00 0.00 O ATOM 0 HA ASP A 45 14.744 -4.058 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.385 -6.363 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.797 -5.850 -3.901 1.00 0.00 H new ATOM 643 N CYS A 46 13.347 -2.526 -4.594 1.00 0.00 N ATOM 644 CA CYS A 46 12.493 -1.635 -3.828 1.00 0.00 C ATOM 645 C CYS A 46 11.039 -1.911 -4.216 1.00 0.00 C ATOM 646 O CYS A 46 10.766 -2.391 -5.315 1.00 0.00 O ATOM 647 CB CYS A 46 12.871 -0.168 -4.041 1.00 0.00 C ATOM 648 SG CYS A 46 12.970 0.200 -5.831 1.00 0.00 S ATOM 0 H CYS A 46 13.348 -2.356 -5.600 1.00 0.00 H new ATOM 0 HA CYS A 46 12.626 -1.826 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.131 0.479 -3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.829 0.042 -3.565 1.00 0.00 H new ATOM 0 HG CYS A 46 13.289 1.449 -6.000 1.00 0.00 H new ATOM 654 N TYR A 47 10.143 -1.596 -3.292 1.00 0.00 N ATOM 655 CA TYR A 47 8.724 -1.804 -3.523 1.00 0.00 C ATOM 656 C TYR A 47 7.885 -0.815 -2.712 1.00 0.00 C ATOM 657 O TYR A 47 8.358 -0.262 -1.720 1.00 0.00 O ATOM 658 CB TYR A 47 8.422 -3.225 -3.042 1.00 0.00 C ATOM 659 CG TYR A 47 8.845 -3.495 -1.597 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.182 -3.633 -1.283 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.890 -3.602 -0.606 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.580 -3.887 0.077 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.288 -3.857 0.754 1.00 0.00 C ATOM 664 CZ TYR A 47 9.613 -3.987 1.028 1.00 0.00 C ATOM 665 OH TYR A 47 9.989 -4.227 2.313 1.00 0.00 O ATOM 0 H TYR A 47 10.373 -1.198 -2.381 1.00 0.00 H new ATOM 0 HA TYR A 47 8.482 -1.658 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.352 -3.410 -3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.928 -3.935 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.930 -3.550 -2.058 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.844 -3.494 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.623 -3.996 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.551 -3.943 1.538 1.00 0.00 H new ATOM 0 HH TYR A 47 9.194 -4.272 2.884 1.00 0.00 H new ATOM 675 N VAL A 48 6.654 -0.622 -3.163 1.00 0.00 N ATOM 676 CA VAL A 48 5.745 0.291 -2.492 1.00 0.00 C ATOM 677 C VAL A 48 4.917 -0.484 -1.465 1.00 0.00 C ATOM 678 O VAL A 48 4.485 -1.605 -1.729 1.00 0.00 O ATOM 679 CB VAL A 48 4.885 1.025 -3.522 1.00 0.00 C ATOM 680 CG1 VAL A 48 4.048 2.119 -2.857 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.748 1.601 -4.646 1.00 0.00 C ATOM 0 H VAL A 48 6.265 -1.083 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 48 6.302 1.055 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 48 4.200 0.301 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.446 2.625 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.393 1.672 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.708 2.840 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.112 2.118 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.468 2.304 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.280 0.792 -5.148 1.00 0.00 H new ATOM 691 N GLN A 49 4.721 0.143 -0.315 1.00 0.00 N ATOM 692 CA GLN A 49 3.953 -0.473 0.753 1.00 0.00 C ATOM 693 C GLN A 49 2.967 0.534 1.348 1.00 0.00 C ATOM 694 O GLN A 49 3.367 1.606 1.801 1.00 0.00 O ATOM 695 CB GLN A 49 4.874 -1.043 1.833 1.00 0.00 C ATOM 696 CG GLN A 49 4.087 -1.891 2.835 1.00 0.00 C ATOM 697 CD GLN A 49 4.840 -2.015 4.160 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.932 -2.554 4.235 1.00 0.00 O ATOM 699 NE2 GLN A 49 4.199 -1.487 5.199 1.00 0.00 N ATOM 0 H GLN A 49 5.081 1.073 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 49 3.385 -1.303 0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.651 -1.650 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.375 -0.228 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.110 -1.441 3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.911 -2.883 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.287 -1.050 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.620 -1.519 6.128 1.00 0.00 H new ATOM 708 N GLY A 50 1.698 0.155 1.329 1.00 0.00 N ATOM 709 CA GLY A 50 0.652 1.013 1.861 1.00 0.00 C ATOM 710 C GLY A 50 -0.016 0.371 3.078 1.00 0.00 C ATOM 711 O GLY A 50 -0.325 -0.820 3.065 1.00 0.00 O ATOM 0 H GLY A 50 1.370 -0.735 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.075 1.978 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.095 1.204 1.090 1.00 0.00 H new ATOM 715 N SER A 51 -0.221 1.188 4.100 1.00 0.00 N ATOM 716 CA SER A 51 -0.847 0.715 5.323 1.00 0.00 C ATOM 717 C SER A 51 -2.054 1.591 5.666 1.00 0.00 C ATOM 718 O SER A 51 -2.056 2.788 5.383 1.00 0.00 O ATOM 719 CB SER A 51 0.149 0.705 6.484 1.00 0.00 C ATOM 720 OG SER A 51 -0.265 -0.165 7.535 1.00 0.00 O ATOM 0 H SER A 51 0.035 2.175 4.107 1.00 0.00 H new ATOM 0 HA SER A 51 -1.184 -0.309 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.128 0.393 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.262 1.717 6.874 1.00 0.00 H new ATOM 0 HG SER A 51 -1.178 -0.477 7.361 1.00 0.00 H new ATOM 726 N VAL A 52 -3.050 0.961 6.270 1.00 0.00 N ATOM 727 CA VAL A 52 -4.260 1.668 6.655 1.00 0.00 C ATOM 728 C VAL A 52 -4.547 1.411 8.135 1.00 0.00 C ATOM 729 O VAL A 52 -4.164 0.374 8.675 1.00 0.00 O ATOM 730 CB VAL A 52 -5.417 1.260 5.741 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.681 0.969 6.554 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.682 2.329 4.680 1.00 0.00 C ATOM 0 H VAL A 52 -3.044 -0.032 6.503 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.130 2.743 6.532 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.130 0.343 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.488 0.681 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.485 0.156 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.971 1.862 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.509 2.013 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.938 3.270 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.788 2.467 4.071 1.00 0.00 H new ATOM 742 N ALA A 53 -5.219 2.373 8.751 1.00 0.00 N ATOM 743 CA ALA A 53 -5.562 2.264 10.158 1.00 0.00 C ATOM 744 C ALA A 53 -7.046 2.585 10.343 1.00 0.00 C ATOM 745 O ALA A 53 -7.467 3.725 10.153 1.00 0.00 O ATOM 746 CB ALA A 53 -4.659 3.189 10.977 1.00 0.00 C ATOM 0 H ALA A 53 -5.535 3.232 8.301 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.397 1.247 10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.916 3.107 12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.618 2.901 10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.799 4.219 10.648 1.00 0.00 H new ATOM 752 N ASN A 54 -7.799 1.559 10.712 1.00 0.00 N ATOM 753 CA ASN A 54 -9.228 1.718 10.925 1.00 0.00 C ATOM 754 C ASN A 54 -9.530 1.616 12.422 1.00 0.00 C ATOM 755 O ASN A 54 -8.621 1.441 13.232 1.00 0.00 O ATOM 756 CB ASN A 54 -10.017 0.620 10.208 1.00 0.00 C ATOM 757 CG ASN A 54 -9.141 -0.608 9.954 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.333 -1.008 10.777 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.344 -1.182 8.772 1.00 0.00 N ATOM 0 H ASN A 54 -7.447 0.615 10.869 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.522 2.690 10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.881 0.337 10.809 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.399 1.001 9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.808 -2.008 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.036 -0.796 8.130 1.00 0.00 H new ATOM 766 N ARG A 55 -10.811 1.730 12.743 1.00 0.00 N ATOM 767 CA ARG A 55 -11.244 1.654 14.128 1.00 0.00 C ATOM 768 C ARG A 55 -11.321 0.194 14.580 1.00 0.00 C ATOM 769 O ARG A 55 -11.753 -0.092 15.695 1.00 0.00 O ATOM 770 CB ARG A 55 -12.614 2.310 14.313 1.00 0.00 C ATOM 771 CG ARG A 55 -12.527 3.495 15.277 1.00 0.00 C ATOM 772 CD ARG A 55 -13.867 4.228 15.366 1.00 0.00 C ATOM 773 NE ARG A 55 -14.108 4.675 16.757 1.00 0.00 N ATOM 774 CZ ARG A 55 -14.461 3.857 17.758 1.00 0.00 C ATOM 775 NH1 ARG A 55 -14.617 2.546 17.529 1.00 0.00 N ATOM 776 NH2 ARG A 55 -14.659 4.351 18.988 1.00 0.00 N ATOM 0 H ARG A 55 -11.562 1.874 12.068 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.513 2.188 14.734 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.993 2.648 13.348 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.324 1.577 14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.234 3.143 16.266 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.752 4.185 14.942 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.867 5.086 14.694 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.673 3.570 15.042 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.998 5.667 16.966 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.467 2.170 16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.886 1.924 18.291 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.541 5.349 19.162 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.928 3.729 19.750 1.00 0.00 H new ATOM 790 N THR A 56 -10.895 -0.691 13.690 1.00 0.00 N ATOM 791 CA THR A 56 -10.910 -2.114 13.984 1.00 0.00 C ATOM 792 C THR A 56 -9.482 -2.654 14.080 1.00 0.00 C ATOM 793 O THR A 56 -9.247 -3.691 14.699 1.00 0.00 O ATOM 794 CB THR A 56 -11.751 -2.809 12.911 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.032 -2.578 11.702 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.097 -2.118 12.683 1.00 0.00 C ATOM 0 H THR A 56 -10.538 -0.450 12.766 1.00 0.00 H new ATOM 0 HA THR A 56 -11.365 -2.313 14.954 1.00 0.00 H new ATOM 0 HB THR A 56 -11.920 -3.847 13.199 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.507 -2.997 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.654 -2.651 11.912 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.669 -2.120 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.929 -1.090 12.363 1.00 0.00 H new ATOM 804 N GLY A 57 -8.565 -1.926 13.460 1.00 0.00 N ATOM 805 CA GLY A 57 -7.166 -2.318 13.469 1.00 0.00 C ATOM 806 C GLY A 57 -6.381 -1.574 12.387 1.00 0.00 C ATOM 807 O GLY A 57 -6.481 -0.353 12.271 1.00 0.00 O ATOM 0 H GLY A 57 -8.764 -1.067 12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.732 -2.109 14.447 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.085 -3.393 13.308 1.00 0.00 H new ATOM 811 N SER A 58 -5.618 -2.340 11.622 1.00 0.00 N ATOM 812 CA SER A 58 -4.816 -1.768 10.553 1.00 0.00 C ATOM 813 C SER A 58 -4.537 -2.827 9.485 1.00 0.00 C ATOM 814 O SER A 58 -4.709 -4.021 9.728 1.00 0.00 O ATOM 815 CB SER A 58 -3.502 -1.200 11.094 1.00 0.00 C ATOM 816 OG SER A 58 -2.837 -2.120 11.955 1.00 0.00 O ATOM 0 H SER A 58 -5.538 -3.352 11.721 1.00 0.00 H new ATOM 0 HA SER A 58 -5.377 -0.948 10.105 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.847 -0.945 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.703 -0.276 11.636 1.00 0.00 H new ATOM 0 HG SER A 58 -2.002 -1.721 12.278 1.00 0.00 H new ATOM 822 N VAL A 59 -4.110 -2.352 8.324 1.00 0.00 N ATOM 823 CA VAL A 59 -3.805 -3.243 7.217 1.00 0.00 C ATOM 824 C VAL A 59 -2.522 -2.773 6.528 1.00 0.00 C ATOM 825 O VAL A 59 -2.014 -1.693 6.825 1.00 0.00 O ATOM 826 CB VAL A 59 -5.000 -3.324 6.265 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.127 -4.162 6.871 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.496 -1.926 5.889 1.00 0.00 C ATOM 0 H VAL A 59 -3.968 -1.362 8.126 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.627 -4.255 7.580 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.669 -3.819 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.964 -4.204 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.766 -5.172 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.455 -3.708 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.346 -2.011 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.802 -1.394 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.694 -1.375 5.397 1.00 0.00 H new ATOM 838 N GLU A 60 -2.035 -3.608 5.621 1.00 0.00 N ATOM 839 CA GLU A 60 -0.822 -3.291 4.888 1.00 0.00 C ATOM 840 C GLU A 60 -0.809 -4.021 3.543 1.00 0.00 C ATOM 841 O GLU A 60 -1.188 -5.188 3.462 1.00 0.00 O ATOM 842 CB GLU A 60 0.422 -3.635 5.710 1.00 0.00 C ATOM 843 CG GLU A 60 0.729 -2.534 6.727 1.00 0.00 C ATOM 844 CD GLU A 60 2.034 -2.823 7.471 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.270 -4.016 7.760 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.766 -1.845 7.735 1.00 0.00 O ATOM 0 H GLU A 60 -2.459 -4.503 5.378 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.806 -2.218 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.269 -4.582 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.276 -3.770 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.802 -1.573 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.091 -2.455 7.441 1.00 0.00 H new ATOM 853 N ALA A 61 -0.369 -3.302 2.520 1.00 0.00 N ATOM 854 CA ALA A 61 -0.301 -3.866 1.183 1.00 0.00 C ATOM 855 C ALA A 61 0.967 -3.369 0.488 1.00 0.00 C ATOM 856 O ALA A 61 1.614 -2.435 0.961 1.00 0.00 O ATOM 857 CB ALA A 61 -1.571 -3.502 0.411 1.00 0.00 C ATOM 0 H ALA A 61 -0.056 -2.334 2.591 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.247 -4.954 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.521 -3.925 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.441 -3.904 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.658 -2.418 0.344 1.00 0.00 H new ATOM 863 N GLN A 62 1.286 -4.015 -0.625 1.00 0.00 N ATOM 864 CA GLN A 62 2.466 -3.649 -1.390 1.00 0.00 C ATOM 865 C GLN A 62 2.388 -4.239 -2.800 1.00 0.00 C ATOM 866 O GLN A 62 1.450 -4.968 -3.120 1.00 0.00 O ATOM 867 CB GLN A 62 3.743 -4.099 -0.678 1.00 0.00 C ATOM 868 CG GLN A 62 3.630 -5.554 -0.217 1.00 0.00 C ATOM 869 CD GLN A 62 4.426 -6.483 -1.135 1.00 0.00 C ATOM 870 OE1 GLN A 62 5.632 -6.372 -1.280 1.00 0.00 O ATOM 871 NE2 GLN A 62 3.686 -7.405 -1.745 1.00 0.00 N ATOM 0 H GLN A 62 0.748 -4.789 -1.015 1.00 0.00 H new ATOM 0 HA GLN A 62 2.499 -2.563 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.595 -3.992 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.931 -3.455 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.997 -5.645 0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.583 -5.856 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.680 -7.443 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.124 -8.074 -2.378 1.00 0.00 H new ATOM 880 N THR A 63 3.385 -3.901 -3.604 1.00 0.00 N ATOM 881 CA THR A 63 3.440 -4.388 -4.972 1.00 0.00 C ATOM 882 C THR A 63 4.644 -5.313 -5.160 1.00 0.00 C ATOM 883 O THR A 63 5.408 -5.543 -4.223 1.00 0.00 O ATOM 884 CB THR A 63 3.454 -3.176 -5.905 1.00 0.00 C ATOM 885 OG1 THR A 63 4.563 -2.403 -5.454 1.00 0.00 O ATOM 886 CG2 THR A 63 2.248 -2.258 -5.691 1.00 0.00 C ATOM 0 H THR A 63 4.161 -3.296 -3.335 1.00 0.00 H new ATOM 0 HA THR A 63 2.565 -4.992 -5.213 1.00 0.00 H new ATOM 0 HB THR A 63 3.472 -3.516 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.170 -2.233 -6.204 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.307 -1.414 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.330 -2.814 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.248 -1.891 -4.665 1.00 0.00 H new ATOM 894 N ALA A 64 4.777 -5.819 -6.377 1.00 0.00 N ATOM 895 CA ALA A 64 5.875 -6.714 -6.700 1.00 0.00 C ATOM 896 C ALA A 64 7.171 -5.907 -6.806 1.00 0.00 C ATOM 897 O ALA A 64 7.189 -4.831 -7.403 1.00 0.00 O ATOM 898 CB ALA A 64 5.554 -7.473 -7.990 1.00 0.00 C ATOM 0 H ALA A 64 4.142 -5.626 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 64 6.011 -7.454 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.378 -8.144 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.641 -8.053 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.414 -6.763 -8.805 1.00 0.00 H new ATOM 904 N LEU A 65 8.223 -6.458 -6.219 1.00 0.00 N ATOM 905 CA LEU A 65 9.520 -5.802 -6.240 1.00 0.00 C ATOM 906 C LEU A 65 9.865 -5.411 -7.678 1.00 0.00 C ATOM 907 O LEU A 65 9.486 -6.103 -8.622 1.00 0.00 O ATOM 908 CB LEU A 65 10.576 -6.684 -5.572 1.00 0.00 C ATOM 909 CG LEU A 65 10.852 -6.398 -4.094 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.580 -5.063 -3.921 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.562 -6.457 -3.274 1.00 0.00 C ATOM 0 H LEU A 65 8.204 -7.351 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 65 9.492 -4.881 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.266 -7.724 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.511 -6.578 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 65 11.512 -7.177 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.764 -4.884 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.530 -5.095 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.965 -4.258 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.786 -6.250 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.859 -5.713 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.121 -7.450 -3.361 1.00 0.00 H new ATOM 923 N LYS A 66 10.582 -4.303 -7.800 1.00 0.00 N ATOM 924 CA LYS A 66 10.983 -3.811 -9.107 1.00 0.00 C ATOM 925 C LYS A 66 12.421 -3.295 -9.034 1.00 0.00 C ATOM 926 O LYS A 66 12.901 -2.936 -7.960 1.00 0.00 O ATOM 927 CB LYS A 66 9.982 -2.773 -9.619 1.00 0.00 C ATOM 928 CG LYS A 66 8.728 -3.449 -10.177 1.00 0.00 C ATOM 929 CD LYS A 66 8.581 -3.181 -11.676 1.00 0.00 C ATOM 930 CE LYS A 66 7.187 -3.574 -12.169 1.00 0.00 C ATOM 931 NZ LYS A 66 6.947 -3.036 -13.527 1.00 0.00 N ATOM 0 H LYS A 66 10.895 -3.732 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 66 10.971 -4.619 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.706 -2.098 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.448 -2.165 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.780 -4.523 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.847 -3.081 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.758 -2.125 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.337 -3.743 -12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.091 -4.660 -12.179 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.431 -3.194 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.165 -3.557 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.699 -2.028 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.808 -3.145 -14.101 1.00 0.00 H new ATOM 945 N LYS A 67 13.069 -3.276 -10.190 1.00 0.00 N ATOM 946 CA LYS A 67 14.443 -2.810 -10.270 1.00 0.00 C ATOM 947 C LYS A 67 14.469 -1.287 -10.126 1.00 0.00 C ATOM 948 O LYS A 67 13.891 -0.572 -10.943 1.00 0.00 O ATOM 949 CB LYS A 67 15.107 -3.318 -11.551 1.00 0.00 C ATOM 950 CG LYS A 67 16.323 -2.463 -11.915 1.00 0.00 C ATOM 951 CD LYS A 67 17.512 -3.341 -12.309 1.00 0.00 C ATOM 952 CE LYS A 67 17.188 -4.180 -13.546 1.00 0.00 C ATOM 953 NZ LYS A 67 18.125 -5.320 -13.660 1.00 0.00 N ATOM 0 H LYS A 67 12.668 -3.576 -11.079 1.00 0.00 H new ATOM 0 HA LYS A 67 15.033 -3.219 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.414 -4.356 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.387 -3.300 -12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.070 -1.796 -12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.596 -1.833 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.381 -2.714 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.775 -3.997 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.164 -4.548 -13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.251 -3.560 -14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.891 -5.879 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.098 -4.963 -13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.045 -5.921 -12.815 1.00 0.00 H new ATOM 967 N ARG A 68 15.146 -0.835 -9.080 1.00 0.00 N ATOM 968 CA ARG A 68 15.256 0.590 -8.819 1.00 0.00 C ATOM 969 C ARG A 68 15.492 1.353 -10.124 1.00 0.00 C ATOM 970 O ARG A 68 16.378 1.001 -10.901 1.00 0.00 O ATOM 971 CB ARG A 68 16.402 0.885 -7.849 1.00 0.00 C ATOM 972 CG ARG A 68 16.079 2.096 -6.971 1.00 0.00 C ATOM 973 CD ARG A 68 16.399 1.809 -5.502 1.00 0.00 C ATOM 974 NE ARG A 68 15.717 2.794 -4.634 1.00 0.00 N ATOM 975 CZ ARG A 68 16.174 4.031 -4.398 1.00 0.00 C ATOM 976 NH1 ARG A 68 17.317 4.442 -4.963 1.00 0.00 N ATOM 977 NH2 ARG A 68 15.489 4.858 -3.595 1.00 0.00 N ATOM 0 H ARG A 68 15.624 -1.431 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 68 14.319 0.917 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.584 0.014 -7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.318 1.071 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.652 2.959 -7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.025 2.353 -7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.079 0.800 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.476 1.854 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 68 14.844 2.514 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.839 3.813 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.665 5.384 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.619 4.545 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.838 5.800 -3.416 1.00 0.00 H new ATOM 991 N GLN A 69 14.684 2.383 -10.324 1.00 0.00 N ATOM 992 CA GLN A 69 14.794 3.199 -11.522 1.00 0.00 C ATOM 993 C GLN A 69 14.439 4.653 -11.208 1.00 0.00 C ATOM 994 O GLN A 69 13.853 4.942 -10.166 1.00 0.00 O ATOM 995 CB GLN A 69 13.909 2.648 -12.643 1.00 0.00 C ATOM 996 CG GLN A 69 14.552 1.423 -13.297 1.00 0.00 C ATOM 997 CD GLN A 69 15.841 1.804 -14.027 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.980 2.887 -14.572 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.774 0.856 -14.008 1.00 0.00 N ATOM 0 H GLN A 69 13.950 2.672 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 69 15.827 3.165 -11.868 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.932 2.379 -12.241 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.743 3.421 -13.394 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.769 0.672 -12.537 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.852 0.972 -14.000 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.593 -0.029 -13.533 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.671 1.014 -14.468 1.00 0.00 H new ATOM 1008 N LEU A 70 14.809 5.531 -12.129 1.00 0.00 N ATOM 1009 CA LEU A 70 14.537 6.949 -11.964 1.00 0.00 C ATOM 1010 C LEU A 70 13.024 7.176 -11.953 1.00 0.00 C ATOM 1011 O LEU A 70 12.554 8.229 -11.526 1.00 0.00 O ATOM 1012 CB LEU A 70 15.274 7.764 -13.029 1.00 0.00 C ATOM 1013 CG LEU A 70 16.161 8.898 -12.511 1.00 0.00 C ATOM 1014 CD1 LEU A 70 17.531 8.877 -13.192 1.00 0.00 C ATOM 1015 CD2 LEU A 70 15.465 10.252 -12.665 1.00 0.00 C ATOM 0 H LEU A 70 15.295 5.288 -12.992 1.00 0.00 H new ATOM 0 HA LEU A 70 14.919 7.301 -11.006 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.893 7.084 -13.615 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.535 8.189 -13.709 1.00 0.00 H new ATOM 0 HG LEU A 70 16.329 8.741 -11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.142 9.693 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.024 7.927 -12.988 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.404 8.996 -14.268 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.117 11.041 -12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.247 10.432 -13.718 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.534 10.249 -12.098 1.00 0.00 H new ATOM 1027 N HIS A 71 12.304 6.171 -12.428 1.00 0.00 N ATOM 1028 CA HIS A 71 10.854 6.248 -12.479 1.00 0.00 C ATOM 1029 C HIS A 71 10.270 4.841 -12.629 1.00 0.00 C ATOM 1030 O HIS A 71 9.882 4.439 -13.725 1.00 0.00 O ATOM 1031 CB HIS A 71 10.398 7.199 -13.587 1.00 0.00 C ATOM 1032 CG HIS A 71 8.946 7.601 -13.494 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.216 8.034 -14.587 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.096 7.630 -12.427 1.00 0.00 C ATOM 1035 CE1 HIS A 71 6.984 8.309 -14.185 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.912 8.058 -12.846 1.00 0.00 N ATOM 0 H HIS A 71 12.698 5.299 -12.781 1.00 0.00 H new ATOM 0 HA HIS A 71 10.476 6.664 -11.545 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.015 8.097 -13.557 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.572 6.724 -14.553 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.567 8.126 -15.540 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.345 7.352 -11.414 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.178 8.669 -14.808 1.00 0.00 H new ATOM 1044 N THR A 72 10.226 4.132 -11.510 1.00 0.00 N ATOM 1045 CA THR A 72 9.696 2.779 -11.503 1.00 0.00 C ATOM 1046 C THR A 72 8.169 2.804 -11.597 1.00 0.00 C ATOM 1047 O THR A 72 7.533 3.769 -11.176 1.00 0.00 O ATOM 1048 CB THR A 72 10.216 2.074 -10.249 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.628 2.025 -10.438 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.797 0.604 -10.186 1.00 0.00 C ATOM 0 H THR A 72 10.548 4.469 -10.603 1.00 0.00 H new ATOM 0 HA THR A 72 10.035 2.217 -12.373 1.00 0.00 H new ATOM 0 HB THR A 72 9.850 2.593 -9.363 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.046 1.584 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.192 0.152 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.709 0.536 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.190 0.076 -11.055 1.00 0.00 H new ATOM 1058 N THR A 73 7.625 1.731 -12.152 1.00 0.00 N ATOM 1059 CA THR A 73 6.185 1.617 -12.307 1.00 0.00 C ATOM 1060 C THR A 73 5.727 0.189 -12.004 1.00 0.00 C ATOM 1061 O THR A 73 6.504 -0.756 -12.131 1.00 0.00 O ATOM 1062 CB THR A 73 5.823 2.084 -13.718 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.550 1.206 -14.572 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.387 3.470 -14.039 1.00 0.00 C ATOM 0 H THR A 73 8.156 0.933 -12.500 1.00 0.00 H new ATOM 0 HA THR A 73 5.659 2.252 -11.594 1.00 0.00 H new ATOM 0 HB THR A 73 4.739 2.100 -13.828 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.372 1.437 -15.507 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.101 3.754 -15.052 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.988 4.198 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.474 3.447 -13.962 1.00 0.00 H new ATOM 1072 N TRP A 74 4.467 0.077 -11.608 1.00 0.00 N ATOM 1073 CA TRP A 74 3.897 -1.220 -11.286 1.00 0.00 C ATOM 1074 C TRP A 74 2.645 -1.412 -12.144 1.00 0.00 C ATOM 1075 O TRP A 74 1.992 -0.441 -12.522 1.00 0.00 O ATOM 1076 CB TRP A 74 3.617 -1.338 -9.786 1.00 0.00 C ATOM 1077 CG TRP A 74 4.878 -1.435 -8.924 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.515 -2.541 -8.516 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.632 -0.333 -8.378 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.621 -2.233 -7.749 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.694 -0.848 -7.663 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.424 1.054 -8.484 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.631 -0.047 -6.999 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.369 1.840 -7.815 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.444 1.337 -7.091 1.00 0.00 C ATOM 0 H TRP A 74 3.825 0.863 -11.503 1.00 0.00 H new ATOM 0 HA TRP A 74 4.602 -2.019 -11.515 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.036 -0.473 -9.466 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.000 -2.219 -9.610 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.203 -3.546 -8.757 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.266 -2.899 -7.324 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.600 1.479 -9.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.454 -0.474 -6.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.255 2.913 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.132 2.011 -6.602 1.00 0.00 H new ATOM 1096 N GLU A 75 2.347 -2.672 -12.427 1.00 0.00 N ATOM 1097 CA GLU A 75 1.185 -3.004 -13.233 1.00 0.00 C ATOM 1098 C GLU A 75 0.018 -3.421 -12.336 1.00 0.00 C ATOM 1099 O GLU A 75 -0.772 -4.290 -12.704 1.00 0.00 O ATOM 1100 CB GLU A 75 1.517 -4.100 -14.247 1.00 0.00 C ATOM 1101 CG GLU A 75 0.567 -4.044 -15.446 1.00 0.00 C ATOM 1102 CD GLU A 75 0.735 -5.277 -16.336 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.112 -6.308 -16.001 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.482 -5.161 -17.332 1.00 0.00 O ATOM 0 H GLU A 75 2.891 -3.475 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 75 0.888 -2.116 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.546 -3.985 -14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.447 -5.077 -13.768 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.463 -3.981 -15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.761 -3.142 -16.027 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.053 -2.784 -11.177 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.110 -3.078 -10.225 1.00 0.00 C ATOM 1113 C GLU A 76 -1.191 -1.978 -9.165 1.00 0.00 C ATOM 1114 O GLU A 76 -0.489 -0.972 -9.254 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.899 -4.449 -9.578 1.00 0.00 C ATOM 1116 CG GLU A 76 0.208 -4.393 -8.524 1.00 0.00 C ATOM 1117 CD GLU A 76 0.676 -5.799 -8.144 1.00 0.00 C ATOM 1118 OE1 GLU A 76 1.242 -6.469 -9.035 1.00 0.00 O ATOM 1119 OE2 GLU A 76 0.456 -6.173 -6.972 1.00 0.00 O ATOM 0 H GLU A 76 0.605 -2.065 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.058 -3.108 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.828 -4.785 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.640 -5.181 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.050 -3.817 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.156 -3.875 -7.637 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.054 -2.206 -8.185 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.236 -1.247 -7.109 1.00 0.00 C ATOM 1128 C GLY A 77 -2.453 -1.958 -5.772 1.00 0.00 C ATOM 1129 O GLY A 77 -2.717 -3.159 -5.739 1.00 0.00 O ATOM 0 H GLY A 77 -2.635 -3.041 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.362 -0.599 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.091 -0.607 -7.328 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.333 -1.186 -4.702 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.513 -1.727 -3.365 1.00 0.00 C ATOM 1135 C LEU A 78 -4.008 -1.900 -3.087 1.00 0.00 C ATOM 1136 O LEU A 78 -4.845 -1.424 -3.852 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.793 -0.856 -2.334 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.305 -0.607 -2.588 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.376 -0.032 -1.345 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.387 -1.879 -3.084 1.00 0.00 C ATOM 0 H LEU A 78 -2.113 -0.190 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.057 -2.714 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.299 0.108 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.901 -1.323 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.214 0.139 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.433 0.135 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.095 0.914 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.276 -0.735 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.444 -1.675 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.287 -2.664 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.076 -2.206 -4.015 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.297 -2.583 -1.989 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.676 -2.826 -1.600 1.00 0.00 C ATOM 1154 C VAL A 79 -5.748 -3.014 -0.084 1.00 0.00 C ATOM 1155 O VAL A 79 -5.270 -4.017 0.444 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.238 -4.017 -2.378 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -7.714 -4.243 -2.045 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -6.037 -3.833 -3.884 1.00 0.00 C ATOM 0 H VAL A 79 -3.600 -2.976 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.300 -1.968 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.686 -4.906 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.088 -5.096 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.820 -4.441 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.287 -3.353 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.445 -4.694 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.550 -2.929 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.972 -3.745 -4.101 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.350 -2.035 0.575 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.491 -2.081 2.020 1.00 0.00 C ATOM 1170 C LEU A 80 -7.976 -2.157 2.381 1.00 0.00 C ATOM 1171 O LEU A 80 -8.782 -1.379 1.874 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.760 -0.902 2.667 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.235 -1.010 2.728 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.789 -2.474 2.733 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.583 -0.216 1.595 1.00 0.00 C ATOM 0 H LEU A 80 -6.746 -1.205 0.134 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.019 -2.978 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.019 0.005 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.137 -0.780 3.683 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.899 -0.568 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.701 -2.523 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.210 -2.980 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.138 -2.964 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.499 -0.310 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.922 -0.606 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.862 0.834 1.679 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.300 -3.126 3.279 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.673 -3.314 3.714 1.00 0.00 C ATOM 1189 C PRO A 81 -10.093 -2.218 4.695 1.00 0.00 C ATOM 1190 O PRO A 81 -9.455 -2.028 5.729 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.705 -4.704 4.328 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.258 -5.058 4.634 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.371 -4.065 3.900 1.00 0.00 C ATOM 0 HA PRO A 81 -10.387 -3.239 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.310 -4.717 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.146 -5.425 3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.073 -5.015 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.038 -6.076 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.694 -3.557 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.753 -4.563 3.153 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.163 -1.524 4.335 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.675 -0.451 5.171 1.00 0.00 C ATOM 1203 C LEU A 82 -13.185 -0.322 4.959 1.00 0.00 C ATOM 1204 O LEU A 82 -13.680 -0.534 3.853 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.904 0.844 4.911 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.439 2.095 5.612 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.113 2.069 7.106 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.923 3.366 4.935 1.00 0.00 C ATOM 0 H LEU A 82 -11.689 -1.684 3.476 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.520 -0.681 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.869 0.695 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.895 1.029 3.837 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.525 2.099 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.504 2.969 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.570 1.191 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.032 2.028 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.318 4.240 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.834 3.383 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.249 3.382 3.895 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.873 0.025 6.036 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.317 0.185 5.982 1.00 0.00 C ATOM 1222 C ALA A 83 -15.652 1.648 5.687 1.00 0.00 C ATOM 1223 O ALA A 83 -15.016 2.555 6.222 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.934 -0.302 7.295 1.00 0.00 C ATOM 0 H ALA A 83 -13.458 0.200 6.951 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.741 -0.419 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.017 -0.182 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.691 -1.354 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.535 0.283 8.124 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.651 1.833 4.837 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.079 3.170 4.464 1.00 0.00 C ATOM 1232 C GLU A 84 -17.379 3.999 5.714 1.00 0.00 C ATOM 1233 O GLU A 84 -17.402 5.228 5.658 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.295 3.118 3.536 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.468 4.440 2.785 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.950 4.773 2.597 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.624 3.985 1.899 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.374 5.809 3.154 1.00 0.00 O ATOM 0 H GLU A 84 -17.177 1.078 4.396 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.267 3.651 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.178 2.303 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.192 2.906 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.978 5.243 3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.979 4.377 1.813 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.602 3.294 6.814 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.899 3.950 8.076 1.00 0.00 C ATOM 1247 C GLU A 85 -16.603 4.341 8.789 1.00 0.00 C ATOM 1248 O GLU A 85 -16.615 5.174 9.694 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.767 3.058 8.966 1.00 0.00 C ATOM 1250 CG GLU A 85 -17.914 2.029 9.710 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.669 0.709 9.878 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.029 0.124 8.833 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.869 0.314 11.047 1.00 0.00 O ATOM 0 H GLU A 85 -17.583 2.275 6.857 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.464 4.859 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.310 3.673 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.512 2.546 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.988 1.855 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.637 2.421 10.689 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.516 3.721 8.355 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.214 3.993 8.941 1.00 0.00 C ATOM 1262 C GLU A 86 -13.367 4.833 7.983 1.00 0.00 C ATOM 1263 O GLU A 86 -12.165 4.996 8.192 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.497 2.694 9.312 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.450 1.722 10.011 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.686 0.781 10.944 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -13.004 -0.119 10.408 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -13.802 0.982 12.172 1.00 0.00 O ATOM 0 H GLU A 86 -15.510 3.031 7.604 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.362 4.562 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.092 2.229 8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.653 2.914 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.192 2.281 10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.992 1.140 9.266 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.025 5.344 6.953 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.347 6.162 5.963 1.00 0.00 C ATOM 1277 C LEU A 87 -12.853 7.450 6.624 1.00 0.00 C ATOM 1278 O LEU A 87 -11.682 7.807 6.498 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.253 6.401 4.753 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.180 5.350 3.643 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.313 5.541 2.632 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.806 5.356 2.972 1.00 0.00 C ATOM 0 H LEU A 87 -15.021 5.207 6.783 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.469 5.643 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.284 6.461 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.005 7.372 4.324 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.313 4.367 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.238 4.781 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.273 5.447 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.236 6.531 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.781 4.600 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.618 6.337 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.038 5.135 3.713 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.794 8.131 7.332 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.466 9.371 8.013 1.00 0.00 C ATOM 1296 C PRO A 88 -12.655 9.102 9.283 1.00 0.00 C ATOM 1297 O PRO A 88 -12.108 10.027 9.882 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.805 10.032 8.293 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.846 8.931 8.178 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.190 7.738 7.502 1.00 0.00 C ATOM 0 HA PRO A 88 -12.832 10.024 7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.819 10.480 9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.002 10.832 7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.219 8.654 9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.703 9.275 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.277 6.839 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.659 7.518 6.543 1.00 0.00 H new ATOM 1308 N THR A 89 -12.603 7.832 9.655 1.00 0.00 N ATOM 1309 CA THR A 89 -11.869 7.429 10.843 1.00 0.00 C ATOM 1310 C THR A 89 -10.714 6.499 10.465 1.00 0.00 C ATOM 1311 O THR A 89 -10.352 5.610 11.235 1.00 0.00 O ATOM 1312 CB THR A 89 -12.861 6.799 11.822 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.035 5.472 11.335 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.257 7.419 11.721 1.00 0.00 C ATOM 0 H THR A 89 -13.057 7.068 9.155 1.00 0.00 H new ATOM 0 HA THR A 89 -11.408 8.287 11.333 1.00 0.00 H new ATOM 0 HB THR A 89 -12.487 6.911 12.840 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.218 4.955 11.496 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.922 6.936 12.437 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.199 8.485 11.942 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.646 7.278 10.712 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.169 6.735 9.281 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.063 5.929 8.793 1.00 0.00 C ATOM 1324 C ALA A 90 -8.097 6.819 8.007 1.00 0.00 C ATOM 1325 O ALA A 90 -8.452 7.929 7.613 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.607 4.773 7.951 1.00 0.00 C ATOM 0 H ALA A 90 -10.473 7.473 8.645 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.508 5.494 9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.778 4.168 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.264 4.155 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.167 5.171 7.105 1.00 0.00 H new ATOM 1332 N THR A 91 -6.896 6.298 7.803 1.00 0.00 N ATOM 1333 CA THR A 91 -5.877 7.031 7.072 1.00 0.00 C ATOM 1334 C THR A 91 -4.937 6.063 6.352 1.00 0.00 C ATOM 1335 O THR A 91 -4.565 5.028 6.903 1.00 0.00 O ATOM 1336 CB THR A 91 -5.159 7.954 8.059 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.185 8.365 8.958 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.691 9.257 7.407 1.00 0.00 C ATOM 0 H THR A 91 -6.606 5.377 8.131 1.00 0.00 H new ATOM 0 HA THR A 91 -6.319 7.648 6.290 1.00 0.00 H new ATOM 0 HB THR A 91 -4.302 7.433 8.486 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.807 8.966 9.633 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.188 9.876 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.999 9.030 6.596 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.552 9.795 7.010 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.579 6.433 5.131 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.690 5.610 4.330 1.00 0.00 C ATOM 1348 C LEU A 92 -2.276 6.193 4.384 1.00 0.00 C ATOM 1349 O LEU A 92 -2.065 7.353 4.035 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.237 5.455 2.909 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.258 4.905 1.869 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.538 6.041 1.140 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.277 3.920 2.508 1.00 0.00 C ATOM 0 H LEU A 92 -4.889 7.292 4.677 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.636 4.600 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.105 4.797 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.589 6.429 2.568 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.827 4.353 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.848 5.623 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.270 6.669 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.982 6.641 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.592 3.544 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.710 4.426 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.829 3.087 2.943 1.00 0.00 H new ATOM 1365 N THR A 93 -1.344 5.360 4.824 1.00 0.00 N ATOM 1366 CA THR A 93 0.044 5.778 4.929 1.00 0.00 C ATOM 1367 C THR A 93 0.921 4.959 3.980 1.00 0.00 C ATOM 1368 O THR A 93 1.166 3.777 4.220 1.00 0.00 O ATOM 1369 CB THR A 93 0.463 5.663 6.395 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.118 6.808 7.014 1.00 0.00 O ATOM 1371 CG2 THR A 93 1.968 5.857 6.591 1.00 0.00 C ATOM 0 H THR A 93 -1.523 4.398 5.112 1.00 0.00 H new ATOM 0 HA THR A 93 0.169 6.816 4.621 1.00 0.00 H new ATOM 0 HB THR A 93 0.170 4.686 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.103 6.811 7.969 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.212 5.766 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.509 5.097 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.257 6.847 6.236 1.00 0.00 H new ATOM 1379 N LEU A 94 1.369 5.618 2.922 1.00 0.00 N ATOM 1380 CA LEU A 94 2.214 4.966 1.936 1.00 0.00 C ATOM 1381 C LEU A 94 3.653 4.919 2.453 1.00 0.00 C ATOM 1382 O LEU A 94 4.084 5.814 3.179 1.00 0.00 O ATOM 1383 CB LEU A 94 2.072 5.648 0.574 1.00 0.00 C ATOM 1384 CG LEU A 94 1.236 4.900 -0.467 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.048 4.193 0.188 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.796 5.837 -1.593 1.00 0.00 C ATOM 0 H LEU A 94 1.163 6.597 2.726 1.00 0.00 H new ATOM 0 HA LEU A 94 1.896 3.934 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.629 6.632 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.069 5.807 0.164 1.00 0.00 H new ATOM 0 HG LEU A 94 1.861 4.128 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.529 3.669 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.412 3.476 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.586 4.929 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.204 5.280 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.195 6.647 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.675 6.253 -2.085 1.00 0.00 H new ATOM 1398 N THR A 95 4.356 3.867 2.060 1.00 0.00 N ATOM 1399 CA THR A 95 5.737 3.692 2.476 1.00 0.00 C ATOM 1400 C THR A 95 6.525 2.939 1.402 1.00 0.00 C ATOM 1401 O THR A 95 5.979 2.075 0.718 1.00 0.00 O ATOM 1402 CB THR A 95 5.737 2.990 3.835 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.356 2.882 4.170 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.322 3.865 4.946 1.00 0.00 C ATOM 0 H THR A 95 3.995 3.127 1.458 1.00 0.00 H new ATOM 0 HA THR A 95 6.240 4.652 2.591 1.00 0.00 H new ATOM 0 HB THR A 95 6.306 2.063 3.765 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.264 2.436 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.298 3.319 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.352 4.123 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.732 4.777 5.040 1.00 0.00 H new ATOM 1412 N LEU A 96 7.797 3.293 1.289 1.00 0.00 N ATOM 1413 CA LEU A 96 8.665 2.661 0.311 1.00 0.00 C ATOM 1414 C LEU A 96 9.882 2.069 1.024 1.00 0.00 C ATOM 1415 O LEU A 96 10.833 2.784 1.335 1.00 0.00 O ATOM 1416 CB LEU A 96 9.025 3.647 -0.803 1.00 0.00 C ATOM 1417 CG LEU A 96 8.663 3.213 -2.225 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.409 4.427 -3.121 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.735 2.288 -2.805 1.00 0.00 C ATOM 0 H LEU A 96 8.247 4.009 1.859 1.00 0.00 H new ATOM 0 HA LEU A 96 8.149 1.836 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.529 4.595 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.098 3.834 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 96 7.734 2.644 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.154 4.091 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.585 5.013 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.307 5.043 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.454 1.994 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.691 2.811 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.825 1.399 -2.181 1.00 0.00 H new ATOM 1431 N ARG A 97 9.814 0.767 1.261 1.00 0.00 N ATOM 1432 CA ARG A 97 10.898 0.070 1.931 1.00 0.00 C ATOM 1433 C ARG A 97 11.822 -0.587 0.903 1.00 0.00 C ATOM 1434 O ARG A 97 11.380 -0.972 -0.178 1.00 0.00 O ATOM 1435 CB ARG A 97 10.360 -1.002 2.881 1.00 0.00 C ATOM 1436 CG ARG A 97 9.685 -0.366 4.098 1.00 0.00 C ATOM 1437 CD ARG A 97 8.167 -0.549 4.041 1.00 0.00 C ATOM 1438 NE ARG A 97 7.538 0.060 5.234 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.418 -0.556 6.418 1.00 0.00 C ATOM 1440 NH1 ARG A 97 7.884 -1.803 6.574 1.00 0.00 N ATOM 1441 NH2 ARG A 97 6.833 0.074 7.445 1.00 0.00 N ATOM 0 H ARG A 97 9.024 0.176 1.001 1.00 0.00 H new ATOM 0 HA ARG A 97 11.457 0.805 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.646 -1.635 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.176 -1.646 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.075 -0.816 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.926 0.696 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.771 -0.089 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.922 -1.610 3.992 1.00 0.00 H new ATOM 0 HE ARG A 97 7.173 1.009 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.330 -2.282 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.793 -2.272 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.479 1.023 7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.742 -0.395 8.346 1.00 0.00 H new ATOM 1455 N THR A 98 13.088 -0.695 1.278 1.00 0.00 N ATOM 1456 CA THR A 98 14.079 -1.299 0.402 1.00 0.00 C ATOM 1457 C THR A 98 14.360 -2.741 0.829 1.00 0.00 C ATOM 1458 O THR A 98 14.372 -3.048 2.020 1.00 0.00 O ATOM 1459 CB THR A 98 15.323 -0.409 0.411 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.565 -0.165 1.794 1.00 0.00 O ATOM 1461 CG2 THR A 98 15.054 0.981 -0.170 1.00 0.00 C ATOM 0 H THR A 98 13.451 -0.375 2.176 1.00 0.00 H new ATOM 0 HA THR A 98 13.715 -1.362 -0.623 1.00 0.00 H new ATOM 0 HB THR A 98 16.118 -0.892 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.357 0.404 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.970 1.571 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.718 0.885 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.282 1.478 0.418 1.00 0.00 H new ATOM 1469 N CYS A 99 14.578 -3.587 -0.167 1.00 0.00 N ATOM 1470 CA CYS A 99 14.859 -4.989 0.091 1.00 0.00 C ATOM 1471 C CYS A 99 16.359 -5.140 0.347 1.00 0.00 C ATOM 1472 O CYS A 99 17.161 -5.069 -0.583 1.00 0.00 O ATOM 1473 CB CYS A 99 14.383 -5.881 -1.057 1.00 0.00 C ATOM 1474 SG CYS A 99 13.980 -7.551 -0.427 1.00 0.00 S ATOM 0 H CYS A 99 14.566 -3.329 -1.154 1.00 0.00 H new ATOM 0 HA CYS A 99 14.307 -5.317 0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.506 -5.441 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.158 -5.949 -1.821 1.00 0.00 H new ATOM 0 HG CYS A 99 13.575 -8.299 -1.410 1.00 0.00 H new ATOM 1599 N VAL A 107 11.946 3.526 6.579 1.00 0.00 N ATOM 1600 CA VAL A 107 11.535 3.294 5.204 1.00 0.00 C ATOM 1601 C VAL A 107 12.269 4.273 4.286 1.00 0.00 C ATOM 1602 O VAL A 107 12.829 5.265 4.750 1.00 0.00 O ATOM 1603 CB VAL A 107 10.013 3.392 5.089 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.326 2.558 6.172 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.552 4.850 5.145 1.00 0.00 C ATOM 0 HA VAL A 107 11.806 2.287 4.888 1.00 0.00 H new ATOM 0 HB VAL A 107 9.724 2.986 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.245 2.645 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.618 1.513 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.626 2.920 7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.466 4.892 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.860 5.293 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.001 5.405 4.322 1.00 0.00 H new ATOM 1615 N ALA A 108 12.241 3.961 2.998 1.00 0.00 N ATOM 1616 CA ALA A 108 12.897 4.801 2.010 1.00 0.00 C ATOM 1617 C ALA A 108 12.120 6.111 1.865 1.00 0.00 C ATOM 1618 O ALA A 108 12.623 7.075 1.290 1.00 0.00 O ATOM 1619 CB ALA A 108 13.009 4.040 0.687 1.00 0.00 C ATOM 0 H ALA A 108 11.774 3.138 2.616 1.00 0.00 H new ATOM 0 HA ALA A 108 13.909 5.051 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.501 4.670 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.594 3.132 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.012 3.775 0.334 1.00 0.00 H new ATOM 1625 N GLY A 109 10.907 6.105 2.398 1.00 0.00 N ATOM 1626 CA GLY A 109 10.056 7.281 2.335 1.00 0.00 C ATOM 1627 C GLY A 109 8.607 6.928 2.678 1.00 0.00 C ATOM 1628 O GLY A 109 8.047 5.983 2.125 1.00 0.00 O ATOM 0 H GLY A 109 10.493 5.304 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.424 8.038 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.102 7.714 1.336 1.00 0.00 H new ATOM 1632 N GLU A 110 8.042 7.707 3.589 1.00 0.00 N ATOM 1633 CA GLU A 110 6.669 7.489 4.013 1.00 0.00 C ATOM 1634 C GLU A 110 5.770 8.614 3.497 1.00 0.00 C ATOM 1635 O GLU A 110 6.195 9.765 3.414 1.00 0.00 O ATOM 1636 CB GLU A 110 6.578 7.368 5.535 1.00 0.00 C ATOM 1637 CG GLU A 110 5.173 7.719 6.030 1.00 0.00 C ATOM 1638 CD GLU A 110 5.075 7.576 7.550 1.00 0.00 C ATOM 1639 OE1 GLU A 110 5.887 8.235 8.235 1.00 0.00 O ATOM 1640 OE2 GLU A 110 4.191 6.811 7.992 1.00 0.00 O ATOM 0 H GLU A 110 8.510 8.490 4.045 1.00 0.00 H new ATOM 0 HA GLU A 110 6.322 6.548 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.831 6.352 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.308 8.031 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.926 8.741 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.442 7.067 5.552 1.00 0.00 H new ATOM 1647 N LEU A 111 4.543 8.241 3.164 1.00 0.00 N ATOM 1648 CA LEU A 111 3.580 9.204 2.658 1.00 0.00 C ATOM 1649 C LEU A 111 2.245 9.011 3.380 1.00 0.00 C ATOM 1650 O LEU A 111 1.872 7.887 3.713 1.00 0.00 O ATOM 1651 CB LEU A 111 3.474 9.108 1.135 1.00 0.00 C ATOM 1652 CG LEU A 111 3.697 10.411 0.364 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.387 10.144 -0.976 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.383 11.176 0.189 1.00 0.00 C ATOM 0 H LEU A 111 4.194 7.285 3.235 1.00 0.00 H new ATOM 0 HA LEU A 111 3.913 10.221 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.200 8.373 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.485 8.724 0.883 1.00 0.00 H new ATOM 0 HG LEU A 111 4.364 11.044 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.534 11.086 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.354 9.672 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.766 9.483 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.569 12.098 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.674 10.560 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.969 11.416 1.168 1.00 0.00 H new ATOM 1666 N ARG A 112 1.561 10.124 3.601 1.00 0.00 N ATOM 1667 CA ARG A 112 0.276 10.091 4.278 1.00 0.00 C ATOM 1668 C ARG A 112 -0.828 10.591 3.344 1.00 0.00 C ATOM 1669 O ARG A 112 -0.615 11.521 2.567 1.00 0.00 O ATOM 1670 CB ARG A 112 0.296 10.954 5.541 1.00 0.00 C ATOM 1671 CG ARG A 112 -1.125 11.301 5.990 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.109 12.068 7.314 1.00 0.00 C ATOM 1673 NE ARG A 112 -2.221 13.045 7.347 1.00 0.00 N ATOM 1674 CZ ARG A 112 -2.299 14.066 8.210 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -1.330 14.252 9.117 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -3.345 14.903 8.167 1.00 0.00 N ATOM 0 H ARG A 112 1.873 11.055 3.323 1.00 0.00 H new ATOM 0 HA ARG A 112 0.077 9.058 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.814 10.424 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.855 11.870 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.616 11.901 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.708 10.387 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.201 11.372 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.157 12.585 7.433 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.975 12.933 6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.533 13.616 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.389 15.030 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.083 14.763 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.404 15.680 8.825 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.984 9.953 3.451 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.122 10.322 2.626 1.00 0.00 C ATOM 1692 C LEU A 113 -4.413 10.107 3.420 1.00 0.00 C ATOM 1693 O LEU A 113 -4.387 9.544 4.513 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.086 9.568 1.296 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.815 9.741 0.461 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.808 8.782 -0.731 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.638 11.197 0.027 1.00 0.00 C ATOM 0 H LEU A 113 -2.157 9.183 4.097 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.078 11.380 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.221 8.506 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.938 9.889 0.696 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.959 9.485 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.894 8.925 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.853 7.754 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.672 8.982 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.728 11.292 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.495 11.505 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.566 11.833 0.909 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.511 10.567 2.838 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.809 10.432 3.477 1.00 0.00 C ATOM 1711 C GLY A 114 -7.769 9.622 2.603 1.00 0.00 C ATOM 1712 O GLY A 114 -7.519 9.429 1.414 1.00 0.00 O ATOM 0 H GLY A 114 -5.528 11.033 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.693 9.944 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.229 11.420 3.667 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.846 9.168 3.227 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.844 8.383 2.521 1.00 0.00 C ATOM 1718 C LEU A 115 -11.169 9.149 2.501 1.00 0.00 C ATOM 1719 O LEU A 115 -11.887 9.128 1.503 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.953 6.983 3.129 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.633 6.322 3.531 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.554 6.566 2.474 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.189 6.784 4.921 1.00 0.00 C ATOM 0 H LEU A 115 -9.049 9.329 4.214 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.546 8.233 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.591 7.040 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.457 6.335 2.412 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.793 5.245 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.626 6.086 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.878 6.149 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.389 7.638 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.248 6.299 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.051 7.865 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.951 6.517 5.654 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.452 9.807 3.616 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.677 10.578 3.739 1.00 0.00 C ATOM 1737 C ASP A 116 -12.926 11.343 2.437 1.00 0.00 C ATOM 1738 O ASP A 116 -14.064 11.449 1.983 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.575 11.598 4.874 1.00 0.00 C ATOM 1740 CG ASP A 116 -11.222 12.304 4.989 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -10.206 11.578 5.035 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -11.236 13.553 5.029 1.00 0.00 O ATOM 0 H ASP A 116 -10.854 9.822 4.442 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.491 9.885 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.351 12.351 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.786 11.093 5.817 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.842 11.857 1.874 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.929 12.609 0.634 1.00 0.00 C ATOM 1749 C GLY A 117 -11.507 14.064 0.844 1.00 0.00 C ATOM 1750 O GLY A 117 -11.969 14.957 0.136 1.00 0.00 O ATOM 0 H GLY A 117 -10.900 11.767 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.292 12.147 -0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.950 12.574 0.254 1.00 0.00 H new ATOM 1754 N THR A 118 -10.633 14.258 1.822 1.00 0.00 N ATOM 1755 CA THR A 118 -10.143 15.589 2.135 1.00 0.00 C ATOM 1756 C THR A 118 -8.772 15.817 1.495 1.00 0.00 C ATOM 1757 O THR A 118 -8.677 16.374 0.403 1.00 0.00 O ATOM 1758 CB THR A 118 -10.137 15.745 3.657 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.508 15.948 3.990 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.449 17.034 4.111 1.00 0.00 C ATOM 0 H THR A 118 -10.252 13.515 2.408 1.00 0.00 H new ATOM 0 HA THR A 118 -10.793 16.358 1.718 1.00 0.00 H new ATOM 0 HB THR A 118 -9.636 14.888 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.854 15.155 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.473 17.095 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.414 17.033 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.970 17.893 3.688 1.00 0.00 H new ATOM 1768 N SER A 119 -7.744 15.375 2.204 1.00 0.00 N ATOM 1769 CA SER A 119 -6.382 15.524 1.719 1.00 0.00 C ATOM 1770 C SER A 119 -6.334 15.280 0.209 1.00 0.00 C ATOM 1771 O SER A 119 -6.153 16.215 -0.569 1.00 0.00 O ATOM 1772 CB SER A 119 -5.432 14.566 2.442 1.00 0.00 C ATOM 1773 OG SER A 119 -5.411 14.796 3.848 1.00 0.00 O ATOM 0 H SER A 119 -7.826 14.914 3.110 1.00 0.00 H new ATOM 0 HA SER A 119 -6.055 16.543 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.736 13.538 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.425 14.682 2.040 1.00 0.00 H new ATOM 0 HG SER A 119 -4.795 14.164 4.274 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.500 14.018 -0.160 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.478 13.640 -1.562 1.00 0.00 C ATOM 1781 C VAL A 120 -7.839 13.058 -1.951 1.00 0.00 C ATOM 1782 O VAL A 120 -8.431 12.295 -1.190 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.319 12.676 -1.826 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -4.064 13.434 -2.264 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.035 11.810 -0.597 1.00 0.00 C ATOM 0 H VAL A 120 -6.650 13.245 0.488 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.306 14.514 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.613 12.015 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.256 12.726 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.274 13.987 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.767 14.130 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.207 11.134 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.772 12.449 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.923 11.229 -0.348 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.307 13.453 -3.165 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.587 12.980 -3.664 1.00 0.00 C ATOM 1797 C PRO A 121 -9.489 11.527 -4.135 1.00 0.00 C ATOM 1798 O PRO A 121 -8.396 10.967 -4.208 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.954 13.943 -4.781 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.660 14.635 -5.176 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.632 14.357 -4.093 1.00 0.00 C ATOM 0 HA PRO A 121 -10.360 12.969 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.387 13.412 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.697 14.666 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.309 14.266 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.819 15.708 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.733 13.900 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.322 15.276 -3.596 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.646 10.959 -4.441 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.704 9.582 -4.903 1.00 0.00 C ATOM 1811 C LEU A 122 -10.742 9.563 -6.432 1.00 0.00 C ATOM 1812 O LEU A 122 -11.174 10.530 -7.058 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.876 8.847 -4.249 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.713 8.511 -2.765 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -13.040 8.047 -2.160 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.597 7.487 -2.554 1.00 0.00 C ATOM 0 H LEU A 122 -11.550 11.427 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.808 9.040 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.772 9.456 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.047 7.919 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.419 9.419 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.897 7.814 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.782 8.839 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.387 7.157 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.502 7.266 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.836 6.571 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.656 7.893 -2.926 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.284 8.452 -6.990 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.260 8.294 -8.434 1.00 0.00 C ATOM 1830 C GLY A 123 -9.470 9.425 -9.096 1.00 0.00 C ATOM 1831 O GLY A 123 -9.638 9.690 -10.286 1.00 0.00 O ATOM 0 H GLY A 123 -9.926 7.652 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.812 7.334 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.280 8.284 -8.819 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.626 10.061 -8.297 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.810 11.157 -8.791 1.00 0.00 C ATOM 1837 C ALA A 124 -6.349 10.912 -8.408 1.00 0.00 C ATOM 1838 O ALA A 124 -5.953 11.156 -7.269 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.344 12.480 -8.238 1.00 0.00 C ATOM 0 H ALA A 124 -8.490 9.838 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.861 11.214 -9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.732 13.303 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.375 12.620 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.306 12.461 -7.149 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.588 10.432 -9.380 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.180 10.152 -9.159 1.00 0.00 C ATOM 1847 C ALA A 125 -3.449 11.456 -8.833 1.00 0.00 C ATOM 1848 O ALA A 125 -3.629 12.461 -9.519 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.600 9.451 -10.389 1.00 0.00 C ATOM 0 H ALA A 125 -5.920 10.230 -10.323 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.051 9.481 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.543 9.241 -10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.134 8.516 -10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.709 10.096 -11.261 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.640 11.397 -7.785 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.882 12.561 -7.359 1.00 0.00 C ATOM 1857 C GLN A 126 -0.393 12.220 -7.266 1.00 0.00 C ATOM 1858 O GLN A 126 -0.028 11.054 -7.125 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.406 13.099 -6.027 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.913 13.352 -6.092 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.214 14.721 -6.705 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.764 15.057 -7.788 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -4.997 15.490 -5.954 1.00 0.00 N ATOM 0 H GLN A 126 -2.493 10.561 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.009 13.346 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.187 12.386 -5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.889 14.025 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.391 12.572 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.338 13.297 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.339 15.147 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -5.255 16.423 -6.275 1.00 0.00 H new ATOM 1872 N TRP A 127 0.425 13.258 -7.348 1.00 0.00 N ATOM 1873 CA TRP A 127 1.866 13.083 -7.275 1.00 0.00 C ATOM 1874 C TRP A 127 2.345 13.660 -5.941 1.00 0.00 C ATOM 1875 O TRP A 127 2.668 14.844 -5.854 1.00 0.00 O ATOM 1876 CB TRP A 127 2.558 13.716 -8.483 1.00 0.00 C ATOM 1877 CG TRP A 127 2.745 12.761 -9.664 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.032 12.701 -10.797 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.743 11.725 -9.783 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.495 11.706 -11.634 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.569 11.094 -10.998 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.759 11.335 -8.893 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.374 10.035 -11.434 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.555 10.275 -9.343 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.393 9.629 -10.563 1.00 0.00 C ATOM 0 H TRP A 127 0.118 14.224 -7.464 1.00 0.00 H new ATOM 0 HA TRP A 127 2.128 12.026 -7.312 1.00 0.00 H new ATOM 0 HB2 TRP A 127 1.975 14.576 -8.813 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.534 14.091 -8.174 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.200 13.350 -11.026 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.118 11.464 -12.551 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.913 11.815 -7.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.218 9.557 -12.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.351 9.935 -8.697 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.050 8.817 -10.838 1.00 0.00 H new ATOM 1896 N GLY A 128 2.376 12.798 -4.936 1.00 0.00 N ATOM 1897 CA GLY A 128 2.810 13.208 -3.611 1.00 0.00 C ATOM 1898 C GLY A 128 4.275 12.835 -3.375 1.00 0.00 C ATOM 1899 O GLY A 128 4.778 11.875 -3.958 1.00 0.00 O ATOM 0 H GLY A 128 2.108 11.817 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.683 14.285 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.184 12.733 -2.856 1.00 0.00 H new ATOM 1903 N GLU A 129 4.920 13.615 -2.519 1.00 0.00 N ATOM 1904 CA GLU A 129 6.318 13.379 -2.199 1.00 0.00 C ATOM 1905 C GLU A 129 6.437 12.571 -0.905 1.00 0.00 C ATOM 1906 O GLU A 129 5.609 12.709 -0.005 1.00 0.00 O ATOM 1907 CB GLU A 129 7.086 14.698 -2.095 1.00 0.00 C ATOM 1908 CG GLU A 129 8.429 14.496 -1.389 1.00 0.00 C ATOM 1909 CD GLU A 129 9.159 15.828 -1.208 1.00 0.00 C ATOM 1910 OE1 GLU A 129 9.045 16.667 -2.128 1.00 0.00 O ATOM 1911 OE2 GLU A 129 9.815 15.977 -0.155 1.00 0.00 O ATOM 0 H GLU A 129 4.500 14.410 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 129 6.764 12.800 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.253 15.105 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.490 15.428 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.266 14.031 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.050 13.813 -1.969 1.00 0.00 H new ATOM 1918 N LEU A 130 7.473 11.747 -0.852 1.00 0.00 N ATOM 1919 CA LEU A 130 7.710 10.918 0.317 1.00 0.00 C ATOM 1920 C LEU A 130 8.239 11.790 1.457 1.00 0.00 C ATOM 1921 O LEU A 130 9.192 12.547 1.274 1.00 0.00 O ATOM 1922 CB LEU A 130 8.627 9.745 -0.036 1.00 0.00 C ATOM 1923 CG LEU A 130 8.047 8.705 -0.997 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.149 7.810 -1.568 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.940 7.892 -0.323 1.00 0.00 C ATOM 0 H LEU A 130 8.158 11.636 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 130 6.778 10.472 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.542 10.144 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.909 9.240 0.888 1.00 0.00 H new ATOM 0 HG LEU A 130 7.594 9.232 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.709 7.080 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.870 8.422 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.654 7.290 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.545 7.160 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.346 7.375 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.139 8.560 -0.007 1.00 0.00 H new ATOM 1937 N LYS A 131 7.599 11.655 2.609 1.00 0.00 N ATOM 1938 CA LYS A 131 7.993 12.422 3.779 1.00 0.00 C ATOM 1939 C LYS A 131 9.095 11.670 4.528 1.00 0.00 C ATOM 1940 O LYS A 131 8.948 11.363 5.710 1.00 0.00 O ATOM 1941 CB LYS A 131 6.773 12.746 4.643 1.00 0.00 C ATOM 1942 CG LYS A 131 5.816 13.688 3.908 1.00 0.00 C ATOM 1943 CD LYS A 131 6.390 15.104 3.833 1.00 0.00 C ATOM 1944 CE LYS A 131 6.790 15.458 2.400 1.00 0.00 C ATOM 1945 NZ LYS A 131 8.082 16.180 2.386 1.00 0.00 N ATOM 0 H LYS A 131 6.810 11.026 2.757 1.00 0.00 H new ATOM 0 HA LYS A 131 8.408 13.385 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.253 11.825 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.096 13.206 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.632 13.313 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.855 13.708 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.652 15.819 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.258 15.183 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.868 14.549 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.017 16.075 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.529 16.074 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.918 17.189 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.708 15.785 3.116 1.00 0.00 H new