USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 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 Set 1.1: A 54 ASN : amide:sc= -1.62! C(o=-1.6!,f=-9.1!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -4.72! C(o=-4.7!,f=-4.3!) USER MOD Single : A 17 TYR OH : rot -30:sc= -2.96! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -47:sc= -2.44! USER MOD Single : A 23 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 24 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 49 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.45) USER MOD Single : A 51 SER OG : rot -12:sc= -1.8! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 63 THR OG1 : rot 126:sc= 1.23 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.69) USER MOD Single : A 71 HIS : no HE2:sc= -2! C(o=-2!,f=-3.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.25! USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00352 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 112:sc= 1.12 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.815 K(o=-0.82,f=-1.7!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.262 15.858 -4.591 1.00 0.00 N ATOM 133 CA ALA A 12 12.529 15.153 -3.552 1.00 0.00 C ATOM 134 C ALA A 12 11.925 13.875 -4.138 1.00 0.00 C ATOM 135 O ALA A 12 11.667 13.800 -5.338 1.00 0.00 O ATOM 136 CB ALA A 12 11.467 16.081 -2.958 1.00 0.00 C ATOM 0 HA ALA A 12 13.197 14.860 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.917 15.553 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.950 16.959 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.777 16.393 -3.742 1.00 0.00 H new ATOM 142 N PRO A 13 11.712 12.877 -3.240 1.00 0.00 N ATOM 143 CA PRO A 13 11.143 11.606 -3.655 1.00 0.00 C ATOM 144 C PRO A 13 9.642 11.737 -3.918 1.00 0.00 C ATOM 145 O PRO A 13 8.901 12.236 -3.073 1.00 0.00 O ATOM 146 CB PRO A 13 11.466 10.642 -2.525 1.00 0.00 C ATOM 147 CG PRO A 13 11.792 11.508 -1.319 1.00 0.00 C ATOM 148 CD PRO A 13 12.005 12.930 -1.811 1.00 0.00 C ATOM 0 HA PRO A 13 11.558 11.247 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.621 9.986 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.309 10.003 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.980 11.473 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.686 11.140 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.345 13.629 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.027 13.263 -1.629 1.00 0.00 H new ATOM 156 N LYS A 14 9.237 11.280 -5.094 1.00 0.00 N ATOM 157 CA LYS A 14 7.838 11.340 -5.480 1.00 0.00 C ATOM 158 C LYS A 14 7.279 9.919 -5.578 1.00 0.00 C ATOM 159 O LYS A 14 7.990 8.994 -5.969 1.00 0.00 O ATOM 160 CB LYS A 14 7.669 12.157 -6.762 1.00 0.00 C ATOM 161 CG LYS A 14 7.079 13.536 -6.460 1.00 0.00 C ATOM 162 CD LYS A 14 6.314 14.081 -7.667 1.00 0.00 C ATOM 163 CE LYS A 14 7.276 14.546 -8.762 1.00 0.00 C ATOM 164 NZ LYS A 14 7.802 15.894 -8.452 1.00 0.00 N ATOM 0 H LYS A 14 9.854 10.866 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 14 7.256 11.861 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.635 12.271 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.018 11.623 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.411 13.470 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.878 14.226 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.654 13.309 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.682 14.913 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.101 13.840 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.762 14.562 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.453 16.194 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.013 16.568 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.310 15.868 -7.545 1.00 0.00 H new ATOM 178 N LEU A 15 6.011 9.789 -5.217 1.00 0.00 N ATOM 179 CA LEU A 15 5.349 8.497 -5.260 1.00 0.00 C ATOM 180 C LEU A 15 3.923 8.676 -5.787 1.00 0.00 C ATOM 181 O LEU A 15 3.079 9.268 -5.116 1.00 0.00 O ATOM 182 CB LEU A 15 5.417 7.814 -3.893 1.00 0.00 C ATOM 183 CG LEU A 15 4.477 6.624 -3.689 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.549 5.659 -4.874 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.761 5.922 -2.360 1.00 0.00 C ATOM 0 H LEU A 15 5.424 10.558 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 15 5.864 7.829 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.440 7.476 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.200 8.558 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 15 3.455 7.000 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.871 4.822 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.259 6.181 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.568 5.286 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.079 5.080 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.789 5.560 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.617 6.625 -1.539 1.00 0.00 H new ATOM 197 N HIS A 16 3.699 8.153 -6.984 1.00 0.00 N ATOM 198 CA HIS A 16 2.391 8.248 -7.609 1.00 0.00 C ATOM 199 C HIS A 16 1.471 7.166 -7.040 1.00 0.00 C ATOM 200 O HIS A 16 1.896 6.030 -6.834 1.00 0.00 O ATOM 201 CB HIS A 16 2.510 8.184 -9.133 1.00 0.00 C ATOM 202 CG HIS A 16 1.301 8.714 -9.866 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.561 7.943 -10.745 1.00 0.00 N ATOM 204 CD2 HIS A 16 0.712 9.944 -9.842 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.427 8.686 -11.223 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.331 9.926 -10.663 1.00 0.00 N ATOM 0 H HIS A 16 4.401 7.662 -7.537 1.00 0.00 H new ATOM 0 HA HIS A 16 1.944 9.215 -7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.388 8.751 -9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.678 7.149 -9.431 1.00 0.00 H new ATOM 0 HD1 HIS A 16 0.745 6.969 -10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.039 10.789 -9.255 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.177 8.366 -11.932 1.00 0.00 H new ATOM 214 N TYR A 17 0.227 7.557 -6.801 1.00 0.00 N ATOM 215 CA TYR A 17 -0.756 6.634 -6.260 1.00 0.00 C ATOM 216 C TYR A 17 -2.179 7.119 -6.548 1.00 0.00 C ATOM 217 O TYR A 17 -2.485 8.297 -6.372 1.00 0.00 O ATOM 218 CB TYR A 17 -0.532 6.619 -4.747 1.00 0.00 C ATOM 219 CG TYR A 17 -0.414 8.010 -4.121 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.550 8.751 -3.865 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.829 8.525 -3.813 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.439 10.060 -3.276 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.940 9.834 -3.224 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.199 10.537 -2.985 1.00 0.00 C ATOM 225 OH TYR A 17 -0.094 11.774 -2.429 1.00 0.00 O ATOM 0 H TYR A 17 -0.122 8.500 -6.972 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.644 5.647 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.357 6.088 -4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.376 6.056 -4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.523 8.349 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.718 7.946 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.320 10.650 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.906 10.248 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.838 12.334 -2.735 1.00 0.00 H new ATOM 235 N CYS A 18 -3.010 6.185 -6.987 1.00 0.00 N ATOM 236 CA CYS A 18 -4.393 6.501 -7.301 1.00 0.00 C ATOM 237 C CYS A 18 -5.284 5.886 -6.220 1.00 0.00 C ATOM 238 O CYS A 18 -5.438 4.667 -6.157 1.00 0.00 O ATOM 239 CB CYS A 18 -4.779 6.020 -8.701 1.00 0.00 C ATOM 240 SG CYS A 18 -6.505 6.500 -9.074 1.00 0.00 S ATOM 0 H CYS A 18 -2.752 5.209 -7.133 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.529 7.582 -7.310 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.105 6.451 -9.441 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.672 4.937 -8.765 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.822 6.089 -10.266 1.00 0.00 H new ATOM 246 N LEU A 19 -5.848 6.757 -5.396 1.00 0.00 N ATOM 247 CA LEU A 19 -6.720 6.315 -4.321 1.00 0.00 C ATOM 248 C LEU A 19 -8.142 6.151 -4.859 1.00 0.00 C ATOM 249 O LEU A 19 -8.665 7.044 -5.526 1.00 0.00 O ATOM 250 CB LEU A 19 -6.619 7.264 -3.126 1.00 0.00 C ATOM 251 CG LEU A 19 -5.208 7.715 -2.743 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.189 6.603 -3.000 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.834 9.013 -3.462 1.00 0.00 C ATOM 0 H LEU A 19 -5.718 7.767 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.405 5.339 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.216 8.150 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.070 6.777 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.194 7.924 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.194 6.949 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.449 5.727 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.197 6.340 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.827 9.312 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.870 8.855 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.539 9.798 -3.186 1.00 0.00 H new ATOM 265 N ASP A 20 -8.730 5.005 -4.550 1.00 0.00 N ATOM 266 CA ASP A 20 -10.082 4.713 -4.993 1.00 0.00 C ATOM 267 C ASP A 20 -10.713 3.686 -4.051 1.00 0.00 C ATOM 268 O ASP A 20 -10.261 2.544 -3.980 1.00 0.00 O ATOM 269 CB ASP A 20 -10.083 4.122 -6.405 1.00 0.00 C ATOM 270 CG ASP A 20 -11.444 3.624 -6.897 1.00 0.00 C ATOM 271 OD1 ASP A 20 -11.789 2.476 -6.543 1.00 0.00 O ATOM 272 OD2 ASP A 20 -12.107 4.403 -7.615 1.00 0.00 O ATOM 0 H ASP A 20 -8.294 4.267 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.646 5.646 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.717 4.878 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.377 3.292 -6.436 1.00 0.00 H new ATOM 277 N TYR A 21 -11.747 4.129 -3.351 1.00 0.00 N ATOM 278 CA TYR A 21 -12.445 3.262 -2.417 1.00 0.00 C ATOM 279 C TYR A 21 -13.743 2.730 -3.026 1.00 0.00 C ATOM 280 O TYR A 21 -14.659 3.499 -3.313 1.00 0.00 O ATOM 281 CB TYR A 21 -12.784 4.134 -1.206 1.00 0.00 C ATOM 282 CG TYR A 21 -13.385 3.361 -0.031 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.572 2.592 0.778 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.740 3.432 0.221 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.138 1.864 1.884 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.306 2.704 1.327 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.476 1.956 2.104 1.00 0.00 C ATOM 288 OH TYR A 21 -15.011 1.269 3.149 1.00 0.00 O ATOM 0 H TYR A 21 -12.118 5.077 -3.412 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.826 2.404 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.878 4.639 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.486 4.909 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.512 2.537 0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.376 4.034 -0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.513 1.259 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.365 2.751 1.535 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.670 0.350 3.146 1.00 0.00 H new ATOM 298 N ASP A 22 -13.780 1.418 -3.207 1.00 0.00 N ATOM 299 CA ASP A 22 -14.951 0.774 -3.777 1.00 0.00 C ATOM 300 C ASP A 22 -15.899 0.358 -2.651 1.00 0.00 C ATOM 301 O ASP A 22 -15.844 -0.776 -2.176 1.00 0.00 O ATOM 302 CB ASP A 22 -14.563 -0.484 -4.557 1.00 0.00 C ATOM 303 CG ASP A 22 -15.417 -0.767 -5.794 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.527 -0.195 -5.861 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.942 -1.550 -6.645 1.00 0.00 O ATOM 0 H ASP A 22 -13.018 0.783 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.430 1.483 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.521 -0.395 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.625 -1.342 -3.887 1.00 0.00 H new ATOM 310 N CYS A 23 -16.745 1.297 -2.255 1.00 0.00 N ATOM 311 CA CYS A 23 -17.704 1.042 -1.193 1.00 0.00 C ATOM 312 C CYS A 23 -18.306 -0.347 -1.413 1.00 0.00 C ATOM 313 O CYS A 23 -18.586 -1.065 -0.455 1.00 0.00 O ATOM 314 CB CYS A 23 -18.780 2.128 -1.130 1.00 0.00 C ATOM 315 SG CYS A 23 -20.020 1.858 -2.448 1.00 0.00 S ATOM 0 H CYS A 23 -16.787 2.236 -2.650 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.198 1.068 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.266 2.114 -0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.323 3.111 -1.245 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.930 2.784 -2.384 1.00 0.00 H new ATOM 321 N GLN A 24 -18.488 -0.684 -2.682 1.00 0.00 N ATOM 322 CA GLN A 24 -19.053 -1.974 -3.040 1.00 0.00 C ATOM 323 C GLN A 24 -18.202 -3.105 -2.459 1.00 0.00 C ATOM 324 O GLN A 24 -18.733 -4.048 -1.874 1.00 0.00 O ATOM 325 CB GLN A 24 -19.186 -2.112 -4.558 1.00 0.00 C ATOM 326 CG GLN A 24 -19.821 -0.861 -5.169 1.00 0.00 C ATOM 327 CD GLN A 24 -21.147 -1.199 -5.854 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.717 -2.262 -5.671 1.00 0.00 O ATOM 329 NE2 GLN A 24 -21.604 -0.237 -6.651 1.00 0.00 N ATOM 0 H GLN A 24 -18.254 -0.086 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 24 -20.054 -2.042 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.203 -2.278 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.793 -2.985 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.989 -0.117 -4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -19.137 -0.417 -5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -21.076 0.629 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -22.482 -0.366 -7.154 1.00 0.00 H new ATOM 338 N LYS A 25 -16.896 -2.974 -2.641 1.00 0.00 N ATOM 339 CA LYS A 25 -15.967 -3.973 -2.142 1.00 0.00 C ATOM 340 C LYS A 25 -15.419 -3.522 -0.787 1.00 0.00 C ATOM 341 O LYS A 25 -14.586 -4.205 -0.191 1.00 0.00 O ATOM 342 CB LYS A 25 -14.881 -4.261 -3.180 1.00 0.00 C ATOM 343 CG LYS A 25 -15.393 -3.994 -4.597 1.00 0.00 C ATOM 344 CD LYS A 25 -14.474 -4.632 -5.641 1.00 0.00 C ATOM 345 CE LYS A 25 -15.261 -5.555 -6.574 1.00 0.00 C ATOM 346 NZ LYS A 25 -14.470 -6.764 -6.896 1.00 0.00 N ATOM 0 H LYS A 25 -16.459 -2.191 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.479 -4.921 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.009 -3.638 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.558 -5.299 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.402 -4.392 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.454 -2.919 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.984 -3.852 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.688 -5.198 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.201 -5.843 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.514 -5.024 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.019 -7.379 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.585 -6.485 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.250 -7.278 -6.019 1.00 0.00 H new ATOM 360 N ALA A 26 -15.907 -2.375 -0.339 1.00 0.00 N ATOM 361 CA ALA A 26 -15.476 -1.824 0.935 1.00 0.00 C ATOM 362 C ALA A 26 -13.968 -2.029 1.090 1.00 0.00 C ATOM 363 O ALA A 26 -13.481 -2.272 2.193 1.00 0.00 O ATOM 364 CB ALA A 26 -16.272 -2.474 2.068 1.00 0.00 C ATOM 0 H ALA A 26 -16.597 -1.811 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.669 -0.752 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.949 -2.061 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.334 -2.275 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.101 -3.550 2.062 1.00 0.00 H new ATOM 370 N GLU A 27 -13.270 -1.924 -0.032 1.00 0.00 N ATOM 371 CA GLU A 27 -11.827 -2.095 -0.034 1.00 0.00 C ATOM 372 C GLU A 27 -11.157 -0.937 -0.777 1.00 0.00 C ATOM 373 O GLU A 27 -11.587 -0.561 -1.866 1.00 0.00 O ATOM 374 CB GLU A 27 -11.435 -3.440 -0.649 1.00 0.00 C ATOM 375 CG GLU A 27 -11.397 -4.538 0.416 1.00 0.00 C ATOM 376 CD GLU A 27 -9.968 -4.776 0.908 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.156 -3.836 0.768 1.00 0.00 O ATOM 378 OE2 GLU A 27 -9.721 -5.892 1.413 1.00 0.00 O ATOM 0 H GLU A 27 -13.677 -1.723 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.478 -2.090 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.147 -3.709 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.458 -3.356 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.032 -4.257 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.802 -5.462 0.005 1.00 0.00 H new ATOM 385 N LEU A 28 -10.114 -0.403 -0.157 1.00 0.00 N ATOM 386 CA LEU A 28 -9.380 0.704 -0.746 1.00 0.00 C ATOM 387 C LEU A 28 -8.501 0.181 -1.884 1.00 0.00 C ATOM 388 O LEU A 28 -8.270 -1.023 -1.991 1.00 0.00 O ATOM 389 CB LEU A 28 -8.604 1.465 0.331 1.00 0.00 C ATOM 390 CG LEU A 28 -7.919 2.756 -0.122 1.00 0.00 C ATOM 391 CD1 LEU A 28 -8.949 3.800 -0.557 1.00 0.00 C ATOM 392 CD2 LEU A 28 -6.984 3.291 0.964 1.00 0.00 C ATOM 0 H LEU A 28 -9.760 -0.717 0.747 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.068 1.428 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.290 1.707 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.845 0.800 0.743 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.304 2.529 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.435 4.708 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.537 3.407 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.609 4.030 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.510 4.209 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.557 3.498 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.218 2.547 1.183 1.00 0.00 H new ATOM 404 N PHE A 29 -8.035 1.110 -2.705 1.00 0.00 N ATOM 405 CA PHE A 29 -7.187 0.758 -3.830 1.00 0.00 C ATOM 406 C PHE A 29 -6.157 1.855 -4.106 1.00 0.00 C ATOM 407 O PHE A 29 -6.475 3.041 -4.036 1.00 0.00 O ATOM 408 CB PHE A 29 -8.100 0.613 -5.050 1.00 0.00 C ATOM 409 CG PHE A 29 -8.984 -0.635 -5.021 1.00 0.00 C ATOM 410 CD1 PHE A 29 -8.496 -1.825 -5.465 1.00 0.00 C ATOM 411 CD2 PHE A 29 -10.258 -0.555 -4.551 1.00 0.00 C ATOM 412 CE1 PHE A 29 -9.317 -2.983 -5.438 1.00 0.00 C ATOM 413 CE2 PHE A 29 -11.079 -1.713 -4.524 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.591 -2.903 -4.968 1.00 0.00 C ATOM 0 H PHE A 29 -8.229 2.107 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.646 -0.164 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.737 1.495 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.486 0.590 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.484 -1.889 -5.838 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.645 0.390 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.930 -3.928 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.091 -1.649 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.215 -3.784 -4.947 1.00 0.00 H new ATOM 424 N VAL A 30 -4.944 1.420 -4.414 1.00 0.00 N ATOM 425 CA VAL A 30 -3.866 2.351 -4.701 1.00 0.00 C ATOM 426 C VAL A 30 -3.192 1.955 -6.016 1.00 0.00 C ATOM 427 O VAL A 30 -2.152 1.299 -6.012 1.00 0.00 O ATOM 428 CB VAL A 30 -2.892 2.403 -3.522 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.815 3.465 -3.747 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.635 2.645 -2.207 1.00 0.00 C ATOM 0 H VAL A 30 -4.684 0.435 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.257 3.361 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.397 1.434 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.136 3.481 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.255 3.230 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.285 4.443 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.919 2.678 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.170 3.593 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.346 1.837 -2.037 1.00 0.00 H new ATOM 440 N THR A 31 -3.813 2.370 -7.110 1.00 0.00 N ATOM 441 CA THR A 31 -3.286 2.067 -8.430 1.00 0.00 C ATOM 442 C THR A 31 -2.387 3.204 -8.920 1.00 0.00 C ATOM 443 O THR A 31 -2.190 4.192 -8.214 1.00 0.00 O ATOM 444 CB THR A 31 -4.470 1.786 -9.358 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.357 2.877 -9.130 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.273 0.557 -8.928 1.00 0.00 C ATOM 0 H THR A 31 -4.676 2.914 -7.110 1.00 0.00 H new ATOM 0 HA THR A 31 -2.652 1.180 -8.409 1.00 0.00 H new ATOM 0 HB THR A 31 -4.107 1.644 -10.376 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.152 2.775 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.101 0.403 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.626 -0.321 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.665 0.712 -7.923 1.00 0.00 H new ATOM 454 N ARG A 32 -1.866 3.026 -10.125 1.00 0.00 N ATOM 455 CA ARG A 32 -0.992 4.025 -10.717 1.00 0.00 C ATOM 456 C ARG A 32 0.213 4.280 -9.809 1.00 0.00 C ATOM 457 O ARG A 32 0.502 5.425 -9.462 1.00 0.00 O ATOM 458 CB ARG A 32 -1.736 5.341 -10.947 1.00 0.00 C ATOM 459 CG ARG A 32 -3.033 5.109 -11.725 1.00 0.00 C ATOM 460 CD ARG A 32 -2.787 5.183 -13.234 1.00 0.00 C ATOM 461 NE ARG A 32 -4.051 4.944 -13.965 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.675 3.759 -14.020 1.00 0.00 C ATOM 463 NH1 ARG A 32 -4.155 2.698 -13.387 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.818 3.635 -14.707 1.00 0.00 N ATOM 0 H ARG A 32 -2.032 2.205 -10.707 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.652 3.641 -11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.961 5.808 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.097 6.033 -11.496 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.446 4.134 -11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.773 5.855 -11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.384 6.161 -13.498 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.043 4.442 -13.526 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.474 5.730 -14.458 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.285 2.793 -12.864 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.630 1.796 -13.429 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.214 4.442 -15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.293 2.733 -14.749 1.00 0.00 H new ATOM 478 N LEU A 33 0.885 3.196 -9.452 1.00 0.00 N ATOM 479 CA LEU A 33 2.053 3.288 -8.592 1.00 0.00 C ATOM 480 C LEU A 33 3.284 3.605 -9.443 1.00 0.00 C ATOM 481 O LEU A 33 3.602 2.871 -10.377 1.00 0.00 O ATOM 482 CB LEU A 33 2.198 2.020 -7.748 1.00 0.00 C ATOM 483 CG LEU A 33 1.388 1.982 -6.450 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.306 0.558 -5.896 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.951 2.965 -5.422 1.00 0.00 C ATOM 0 H LEU A 33 0.643 2.249 -9.743 1.00 0.00 H new ATOM 0 HA LEU A 33 1.939 4.105 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.908 1.165 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.251 1.891 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 33 0.370 2.300 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.725 0.559 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.823 -0.090 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.311 0.189 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.357 2.917 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.985 2.703 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.913 3.976 -5.827 1.00 0.00 H new ATOM 497 N GLU A 34 3.943 4.698 -9.089 1.00 0.00 N ATOM 498 CA GLU A 34 5.132 5.121 -9.809 1.00 0.00 C ATOM 499 C GLU A 34 6.050 5.930 -8.890 1.00 0.00 C ATOM 500 O GLU A 34 5.747 7.074 -8.556 1.00 0.00 O ATOM 501 CB GLU A 34 4.762 5.923 -11.058 1.00 0.00 C ATOM 502 CG GLU A 34 3.787 5.143 -11.942 1.00 0.00 C ATOM 503 CD GLU A 34 3.520 5.886 -13.253 1.00 0.00 C ATOM 504 OE1 GLU A 34 3.104 7.061 -13.164 1.00 0.00 O ATOM 505 OE2 GLU A 34 3.738 5.261 -14.313 1.00 0.00 O ATOM 0 H GLU A 34 3.676 5.304 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 34 5.670 4.231 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.313 6.872 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.663 6.158 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.195 4.155 -12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.849 4.991 -11.408 1.00 0.00 H new ATOM 512 N ALA A 35 7.153 5.303 -8.507 1.00 0.00 N ATOM 513 CA ALA A 35 8.116 5.950 -7.633 1.00 0.00 C ATOM 514 C ALA A 35 8.991 6.896 -8.458 1.00 0.00 C ATOM 515 O ALA A 35 9.432 6.545 -9.551 1.00 0.00 O ATOM 516 CB ALA A 35 8.937 4.886 -6.901 1.00 0.00 C ATOM 0 H ALA A 35 7.401 4.354 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 35 7.607 6.547 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.660 5.372 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.272 4.258 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.464 4.269 -7.629 1.00 0.00 H new ATOM 522 N VAL A 36 9.217 8.077 -7.902 1.00 0.00 N ATOM 523 CA VAL A 36 10.032 9.076 -8.572 1.00 0.00 C ATOM 524 C VAL A 36 11.141 9.543 -7.626 1.00 0.00 C ATOM 525 O VAL A 36 11.114 10.673 -7.143 1.00 0.00 O ATOM 526 CB VAL A 36 9.150 10.223 -9.070 1.00 0.00 C ATOM 527 CG1 VAL A 36 9.999 11.413 -9.521 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.223 9.754 -10.193 1.00 0.00 C ATOM 0 H VAL A 36 8.850 8.365 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 36 10.513 8.648 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 36 8.528 10.552 -8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.347 12.214 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.597 11.771 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.659 11.103 -10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.607 10.588 -10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.820 9.385 -11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.581 8.954 -9.824 1.00 0.00 H new ATOM 631 N ASP A 45 16.070 -4.425 -4.214 1.00 0.00 N ATOM 632 CA ASP A 45 14.810 -4.211 -4.905 1.00 0.00 C ATOM 633 C ASP A 45 13.892 -3.355 -4.029 1.00 0.00 C ATOM 634 O ASP A 45 13.637 -3.694 -2.874 1.00 0.00 O ATOM 635 CB ASP A 45 14.100 -5.539 -5.178 1.00 0.00 C ATOM 636 CG ASP A 45 14.419 -6.176 -6.531 1.00 0.00 C ATOM 637 OD1 ASP A 45 15.505 -5.863 -7.065 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.569 -6.963 -7.003 1.00 0.00 O ATOM 0 HA ASP A 45 15.024 -3.715 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.365 -6.244 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.024 -5.378 -5.114 1.00 0.00 H new ATOM 643 N CYS A 46 13.421 -2.263 -4.612 1.00 0.00 N ATOM 644 CA CYS A 46 12.537 -1.356 -3.899 1.00 0.00 C ATOM 645 C CYS A 46 11.092 -1.764 -4.193 1.00 0.00 C ATOM 646 O CYS A 46 10.802 -2.317 -5.253 1.00 0.00 O ATOM 647 CB CYS A 46 12.805 0.103 -4.272 1.00 0.00 C ATOM 648 SG CYS A 46 12.085 0.473 -5.913 1.00 0.00 S ATOM 0 H CYS A 46 13.635 -1.985 -5.570 1.00 0.00 H new ATOM 0 HA CYS A 46 12.723 -1.429 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.375 0.764 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.878 0.292 -4.286 1.00 0.00 H new ATOM 0 HG CYS A 46 12.317 1.715 -6.218 1.00 0.00 H new ATOM 654 N TYR A 47 10.224 -1.476 -3.235 1.00 0.00 N ATOM 655 CA TYR A 47 8.816 -1.806 -3.377 1.00 0.00 C ATOM 656 C TYR A 47 7.943 -0.850 -2.561 1.00 0.00 C ATOM 657 O TYR A 47 8.387 -0.309 -1.549 1.00 0.00 O ATOM 658 CB TYR A 47 8.657 -3.223 -2.822 1.00 0.00 C ATOM 659 CG TYR A 47 9.047 -3.361 -1.349 1.00 0.00 C ATOM 660 CD1 TYR A 47 8.146 -3.019 -0.361 1.00 0.00 C ATOM 661 CD2 TYR A 47 10.300 -3.829 -1.008 1.00 0.00 C ATOM 662 CE1 TYR A 47 8.513 -3.149 1.025 1.00 0.00 C ATOM 663 CE2 TYR A 47 10.667 -3.959 0.379 1.00 0.00 C ATOM 664 CZ TYR A 47 9.755 -3.613 1.327 1.00 0.00 C ATOM 665 OH TYR A 47 10.102 -3.736 2.636 1.00 0.00 O ATOM 0 H TYR A 47 10.468 -1.018 -2.357 1.00 0.00 H new ATOM 0 HA TYR A 47 8.507 -1.728 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.620 -3.536 -2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.267 -3.905 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.165 -2.654 -0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.005 -4.098 -1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.817 -2.884 1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.644 -4.323 0.660 1.00 0.00 H new ATOM 0 HH TYR A 47 11.017 -4.080 2.701 1.00 0.00 H new ATOM 675 N VAL A 48 6.717 -0.672 -3.031 1.00 0.00 N ATOM 676 CA VAL A 48 5.779 0.210 -2.357 1.00 0.00 C ATOM 677 C VAL A 48 4.961 -0.599 -1.348 1.00 0.00 C ATOM 678 O VAL A 48 4.716 -1.787 -1.552 1.00 0.00 O ATOM 679 CB VAL A 48 4.910 0.934 -3.387 1.00 0.00 C ATOM 680 CG1 VAL A 48 4.086 2.041 -2.727 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.762 1.492 -4.529 1.00 0.00 C ATOM 0 H VAL A 48 6.352 -1.123 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 48 6.311 0.981 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 48 4.217 0.207 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.477 2.540 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.438 1.607 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.755 2.766 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.119 2.002 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.490 2.198 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.285 0.675 -5.026 1.00 0.00 H new ATOM 691 N GLN A 49 4.561 0.077 -0.281 1.00 0.00 N ATOM 692 CA GLN A 49 3.776 -0.564 0.760 1.00 0.00 C ATOM 693 C GLN A 49 2.658 0.368 1.231 1.00 0.00 C ATOM 694 O GLN A 49 2.922 1.476 1.696 1.00 0.00 O ATOM 695 CB GLN A 49 4.663 -0.992 1.931 1.00 0.00 C ATOM 696 CG GLN A 49 3.872 -1.822 2.943 1.00 0.00 C ATOM 697 CD GLN A 49 4.487 -1.715 4.340 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.544 -2.255 4.624 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.769 -0.991 5.194 1.00 0.00 N ATOM 0 H GLN A 49 4.766 1.062 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 49 3.322 -1.463 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.507 -1.573 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.075 -0.110 2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.837 -1.480 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.854 -2.865 2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.893 -0.566 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.095 -0.861 6.152 1.00 0.00 H new ATOM 708 N GLY A 50 1.431 -0.115 1.095 1.00 0.00 N ATOM 709 CA GLY A 50 0.272 0.661 1.501 1.00 0.00 C ATOM 710 C GLY A 50 -0.342 0.099 2.784 1.00 0.00 C ATOM 711 O GLY A 50 -0.752 -1.060 2.824 1.00 0.00 O ATOM 0 H GLY A 50 1.215 -1.034 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.562 1.700 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.472 0.654 0.704 1.00 0.00 H new ATOM 715 N SER A 51 -0.387 0.946 3.802 1.00 0.00 N ATOM 716 CA SER A 51 -0.944 0.548 5.083 1.00 0.00 C ATOM 717 C SER A 51 -2.101 1.475 5.461 1.00 0.00 C ATOM 718 O SER A 51 -2.126 2.638 5.061 1.00 0.00 O ATOM 719 CB SER A 51 0.126 0.561 6.177 1.00 0.00 C ATOM 720 OG SER A 51 -0.265 -0.202 7.315 1.00 0.00 O ATOM 0 H SER A 51 -0.046 1.907 3.765 1.00 0.00 H new ATOM 0 HA SER A 51 -1.319 -0.471 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.059 0.163 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.322 1.589 6.480 1.00 0.00 H new ATOM 0 HG SER A 51 -1.219 -0.417 7.253 1.00 0.00 H new ATOM 726 N VAL A 52 -3.031 0.926 6.228 1.00 0.00 N ATOM 727 CA VAL A 52 -4.188 1.689 6.665 1.00 0.00 C ATOM 728 C VAL A 52 -4.456 1.400 8.143 1.00 0.00 C ATOM 729 O VAL A 52 -3.933 0.433 8.695 1.00 0.00 O ATOM 730 CB VAL A 52 -5.388 1.378 5.768 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.649 1.142 6.602 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.610 2.493 4.743 1.00 0.00 C ATOM 0 H VAL A 52 -3.007 -0.039 6.558 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.998 2.758 6.573 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.170 0.460 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.487 0.923 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.488 0.300 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.871 2.035 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.469 2.247 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.796 3.433 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.723 2.594 4.117 1.00 0.00 H new ATOM 742 N ALA A 53 -5.269 2.257 8.743 1.00 0.00 N ATOM 743 CA ALA A 53 -5.613 2.106 10.147 1.00 0.00 C ATOM 744 C ALA A 53 -7.100 2.410 10.339 1.00 0.00 C ATOM 745 O ALA A 53 -7.533 3.547 10.162 1.00 0.00 O ATOM 746 CB ALA A 53 -4.718 3.015 10.992 1.00 0.00 C ATOM 0 H ALA A 53 -5.700 3.059 8.282 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.441 1.081 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.976 2.902 12.045 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.674 2.739 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.866 4.052 10.691 1.00 0.00 H new ATOM 752 N ASN A 54 -7.841 1.372 10.699 1.00 0.00 N ATOM 753 CA ASN A 54 -9.271 1.513 10.917 1.00 0.00 C ATOM 754 C ASN A 54 -9.568 1.394 12.413 1.00 0.00 C ATOM 755 O ASN A 54 -8.657 1.207 13.218 1.00 0.00 O ATOM 756 CB ASN A 54 -10.050 0.415 10.191 1.00 0.00 C ATOM 757 CG ASN A 54 -9.184 -0.831 9.991 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.329 -1.160 10.796 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.452 -1.502 8.874 1.00 0.00 N ATOM 0 H ASN A 54 -7.478 0.430 10.845 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.577 2.486 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.940 0.156 10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.391 0.785 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.928 -2.347 8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.182 -1.171 8.243 1.00 0.00 H new ATOM 766 N ARG A 55 -10.847 1.507 12.741 1.00 0.00 N ATOM 767 CA ARG A 55 -11.276 1.414 14.126 1.00 0.00 C ATOM 768 C ARG A 55 -11.246 -0.042 14.594 1.00 0.00 C ATOM 769 O ARG A 55 -11.518 -0.329 15.759 1.00 0.00 O ATOM 770 CB ARG A 55 -12.690 1.971 14.303 1.00 0.00 C ATOM 771 CG ARG A 55 -12.698 3.143 15.286 1.00 0.00 C ATOM 772 CD ARG A 55 -14.044 3.870 15.261 1.00 0.00 C ATOM 773 NE ARG A 55 -15.053 3.094 16.016 1.00 0.00 N ATOM 774 CZ ARG A 55 -16.252 3.571 16.376 1.00 0.00 C ATOM 775 NH1 ARG A 55 -16.600 4.824 16.052 1.00 0.00 N ATOM 776 NH2 ARG A 55 -17.104 2.795 17.059 1.00 0.00 N ATOM 0 H ARG A 55 -11.600 1.662 12.071 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.587 2.007 14.727 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.079 2.298 13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.352 1.184 14.664 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.496 2.779 16.293 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.899 3.840 15.033 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.938 4.864 15.696 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.374 4.006 14.231 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.821 2.136 16.279 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.952 5.415 15.531 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.513 5.187 16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.840 1.841 17.305 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.017 3.158 17.333 1.00 0.00 H new ATOM 790 N THR A 56 -10.914 -0.923 13.663 1.00 0.00 N ATOM 791 CA THR A 56 -10.845 -2.343 13.966 1.00 0.00 C ATOM 792 C THR A 56 -9.387 -2.792 14.089 1.00 0.00 C ATOM 793 O THR A 56 -9.105 -3.847 14.654 1.00 0.00 O ATOM 794 CB THR A 56 -11.623 -3.095 12.884 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.783 -3.018 11.735 1.00 0.00 O ATOM 796 CG2 THR A 56 -12.898 -2.362 12.464 1.00 0.00 C ATOM 0 H THR A 56 -10.690 -0.682 12.698 1.00 0.00 H new ATOM 0 HA THR A 56 -11.303 -2.565 14.930 1.00 0.00 H new ATOM 0 HB THR A 56 -11.880 -4.090 13.247 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.211 -3.482 10.985 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.412 -2.938 11.695 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.552 -2.246 13.328 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.640 -1.379 12.070 1.00 0.00 H new ATOM 804 N GLY A 57 -8.500 -1.968 13.551 1.00 0.00 N ATOM 805 CA GLY A 57 -7.079 -2.267 13.594 1.00 0.00 C ATOM 806 C GLY A 57 -6.329 -1.526 12.485 1.00 0.00 C ATOM 807 O GLY A 57 -6.411 -0.303 12.385 1.00 0.00 O ATOM 0 H GLY A 57 -8.738 -1.093 13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.673 -1.983 14.565 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.926 -3.341 13.486 1.00 0.00 H new ATOM 811 N SER A 58 -5.615 -2.299 11.679 1.00 0.00 N ATOM 812 CA SER A 58 -4.852 -1.731 10.581 1.00 0.00 C ATOM 813 C SER A 58 -4.574 -2.805 9.527 1.00 0.00 C ATOM 814 O SER A 58 -4.721 -3.996 9.795 1.00 0.00 O ATOM 815 CB SER A 58 -3.538 -1.125 11.079 1.00 0.00 C ATOM 816 OG SER A 58 -2.792 -2.044 11.870 1.00 0.00 O ATOM 0 H SER A 58 -5.549 -3.313 11.765 1.00 0.00 H new ATOM 0 HA SER A 58 -5.442 -0.933 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.937 -0.811 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.750 -0.231 11.666 1.00 0.00 H new ATOM 0 HG SER A 58 -1.960 -1.620 12.167 1.00 0.00 H new ATOM 822 N VAL A 59 -4.178 -2.345 8.349 1.00 0.00 N ATOM 823 CA VAL A 59 -3.878 -3.251 7.253 1.00 0.00 C ATOM 824 C VAL A 59 -2.553 -2.842 6.607 1.00 0.00 C ATOM 825 O VAL A 59 -2.039 -1.756 6.870 1.00 0.00 O ATOM 826 CB VAL A 59 -5.044 -3.277 6.262 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.203 -4.117 6.801 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.506 -1.858 5.923 1.00 0.00 C ATOM 0 H VAL A 59 -4.058 -1.356 8.130 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.759 -4.270 7.621 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.692 -3.744 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.018 -4.119 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.864 -5.139 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.554 -3.692 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.335 -1.904 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.832 -1.354 6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.680 -1.303 5.477 1.00 0.00 H new ATOM 838 N GLU A 60 -2.038 -3.734 5.774 1.00 0.00 N ATOM 839 CA GLU A 60 -0.782 -3.480 5.088 1.00 0.00 C ATOM 840 C GLU A 60 -0.723 -4.271 3.780 1.00 0.00 C ATOM 841 O GLU A 60 -1.161 -5.419 3.724 1.00 0.00 O ATOM 842 CB GLU A 60 0.410 -3.815 5.986 1.00 0.00 C ATOM 843 CG GLU A 60 0.738 -2.649 6.920 1.00 0.00 C ATOM 844 CD GLU A 60 1.967 -2.961 7.777 1.00 0.00 C ATOM 845 OE1 GLU A 60 1.820 -3.791 8.700 1.00 0.00 O ATOM 846 OE2 GLU A 60 3.026 -2.363 7.489 1.00 0.00 O ATOM 0 H GLU A 60 -2.467 -4.634 5.558 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.728 -2.418 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.188 -4.705 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.279 -4.048 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.919 -1.748 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.117 -2.443 7.565 1.00 0.00 H new ATOM 853 N ALA A 61 -0.178 -3.625 2.759 1.00 0.00 N ATOM 854 CA ALA A 61 -0.055 -4.253 1.455 1.00 0.00 C ATOM 855 C ALA A 61 1.159 -3.674 0.727 1.00 0.00 C ATOM 856 O ALA A 61 1.739 -2.683 1.169 1.00 0.00 O ATOM 857 CB ALA A 61 -1.354 -4.057 0.670 1.00 0.00 C ATOM 0 H ALA A 61 0.183 -2.672 2.809 1.00 0.00 H new ATOM 0 HA ALA A 61 0.105 -5.326 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.262 -4.528 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.181 -4.512 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.545 -2.991 0.543 1.00 0.00 H new ATOM 863 N GLN A 62 1.509 -4.317 -0.377 1.00 0.00 N ATOM 864 CA GLN A 62 2.644 -3.879 -1.171 1.00 0.00 C ATOM 865 C GLN A 62 2.554 -4.449 -2.588 1.00 0.00 C ATOM 866 O GLN A 62 1.632 -5.202 -2.900 1.00 0.00 O ATOM 867 CB GLN A 62 3.964 -4.273 -0.505 1.00 0.00 C ATOM 868 CG GLN A 62 3.937 -5.735 -0.056 1.00 0.00 C ATOM 869 CD GLN A 62 4.588 -6.642 -1.102 1.00 0.00 C ATOM 870 OE1 GLN A 62 3.927 -7.325 -1.867 1.00 0.00 O ATOM 871 NE2 GLN A 62 5.918 -6.611 -1.092 1.00 0.00 N ATOM 0 H GLN A 62 1.026 -5.139 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 62 2.618 -2.791 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.787 -4.118 -1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.148 -3.628 0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.460 -5.837 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.907 -6.049 0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.409 -6.016 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.446 -7.182 -1.752 1.00 0.00 H new ATOM 880 N THR A 63 3.523 -4.069 -3.408 1.00 0.00 N ATOM 881 CA THR A 63 3.564 -4.534 -4.784 1.00 0.00 C ATOM 882 C THR A 63 4.780 -5.435 -5.007 1.00 0.00 C ATOM 883 O THR A 63 5.585 -5.633 -4.098 1.00 0.00 O ATOM 884 CB THR A 63 3.541 -3.307 -5.698 1.00 0.00 C ATOM 885 OG1 THR A 63 4.645 -2.523 -5.254 1.00 0.00 O ATOM 886 CG2 THR A 63 2.325 -2.413 -5.448 1.00 0.00 C ATOM 0 H THR A 63 4.286 -3.444 -3.146 1.00 0.00 H new ATOM 0 HA THR A 63 2.696 -5.150 -5.020 1.00 0.00 H new ATOM 0 HB THR A 63 3.546 -3.630 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.230 -2.322 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.358 -1.557 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.412 -2.982 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.337 -2.062 -4.416 1.00 0.00 H new ATOM 894 N ALA A 64 4.875 -5.957 -6.221 1.00 0.00 N ATOM 895 CA ALA A 64 5.979 -6.833 -6.574 1.00 0.00 C ATOM 896 C ALA A 64 7.265 -6.010 -6.673 1.00 0.00 C ATOM 897 O ALA A 64 7.274 -4.933 -7.267 1.00 0.00 O ATOM 898 CB ALA A 64 5.654 -7.564 -7.878 1.00 0.00 C ATOM 0 H ALA A 64 4.206 -5.790 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 64 6.129 -7.590 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.482 -8.221 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.748 -8.156 -7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.499 -6.836 -8.674 1.00 0.00 H new ATOM 904 N LEU A 65 8.321 -6.549 -6.081 1.00 0.00 N ATOM 905 CA LEU A 65 9.610 -5.878 -6.095 1.00 0.00 C ATOM 906 C LEU A 65 9.845 -5.262 -7.475 1.00 0.00 C ATOM 907 O LEU A 65 9.237 -5.682 -8.458 1.00 0.00 O ATOM 908 CB LEU A 65 10.718 -6.837 -5.653 1.00 0.00 C ATOM 909 CG LEU A 65 10.859 -7.050 -4.144 1.00 0.00 C ATOM 910 CD1 LEU A 65 10.990 -5.713 -3.412 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.702 -7.890 -3.599 1.00 0.00 C ATOM 0 H LEU A 65 8.310 -7.442 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 65 9.621 -5.060 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.541 -7.805 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.668 -6.465 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 65 11.777 -7.609 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.089 -5.892 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.872 -5.185 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.103 -5.108 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.826 -8.027 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.759 -7.380 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.696 -8.863 -4.090 1.00 0.00 H new ATOM 923 N LYS A 66 10.728 -4.274 -7.505 1.00 0.00 N ATOM 924 CA LYS A 66 11.051 -3.596 -8.748 1.00 0.00 C ATOM 925 C LYS A 66 12.533 -3.218 -8.748 1.00 0.00 C ATOM 926 O LYS A 66 13.182 -3.236 -7.703 1.00 0.00 O ATOM 927 CB LYS A 66 10.113 -2.407 -8.969 1.00 0.00 C ATOM 928 CG LYS A 66 8.738 -2.875 -9.450 1.00 0.00 C ATOM 929 CD LYS A 66 8.794 -3.329 -10.910 1.00 0.00 C ATOM 930 CE LYS A 66 7.389 -3.422 -11.509 1.00 0.00 C ATOM 931 NZ LYS A 66 7.078 -4.819 -11.885 1.00 0.00 N ATOM 0 H LYS A 66 11.230 -3.927 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 66 10.891 -4.261 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.006 -1.846 -8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.547 -1.728 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.389 -3.696 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.017 -2.065 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.395 -2.628 -11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.286 -4.300 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.655 -3.061 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.318 -2.779 -12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.121 -4.865 -12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.768 -5.151 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.126 -5.425 -11.041 1.00 0.00 H new ATOM 945 N LYS A 67 13.026 -2.885 -9.932 1.00 0.00 N ATOM 946 CA LYS A 67 14.420 -2.503 -10.082 1.00 0.00 C ATOM 947 C LYS A 67 14.545 -0.984 -9.952 1.00 0.00 C ATOM 948 O LYS A 67 13.998 -0.241 -10.765 1.00 0.00 O ATOM 949 CB LYS A 67 14.990 -3.058 -11.389 1.00 0.00 C ATOM 950 CG LYS A 67 16.229 -2.273 -11.824 1.00 0.00 C ATOM 951 CD LYS A 67 17.355 -3.217 -12.249 1.00 0.00 C ATOM 952 CE LYS A 67 16.924 -4.086 -13.432 1.00 0.00 C ATOM 953 NZ LYS A 67 17.721 -5.333 -13.477 1.00 0.00 N ATOM 0 H LYS A 67 12.485 -2.872 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 67 15.023 -2.942 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.248 -4.109 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.232 -3.009 -12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.973 -1.611 -12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.570 -1.641 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.237 -2.637 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.638 -3.853 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.865 -4.327 -13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.051 -3.533 -14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.416 -5.911 -14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.729 -5.097 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.579 -5.868 -12.596 1.00 0.00 H new ATOM 967 N ARG A 68 15.270 -0.567 -8.924 1.00 0.00 N ATOM 968 CA ARG A 68 15.474 0.850 -8.678 1.00 0.00 C ATOM 969 C ARG A 68 15.742 1.584 -9.993 1.00 0.00 C ATOM 970 O ARG A 68 16.703 1.275 -10.696 1.00 0.00 O ATOM 971 CB ARG A 68 16.648 1.080 -7.725 1.00 0.00 C ATOM 972 CG ARG A 68 16.163 1.615 -6.376 1.00 0.00 C ATOM 973 CD ARG A 68 17.343 1.917 -5.449 1.00 0.00 C ATOM 974 NE ARG A 68 16.848 2.301 -4.108 1.00 0.00 N ATOM 975 CZ ARG A 68 16.233 3.460 -3.838 1.00 0.00 C ATOM 976 NH1 ARG A 68 16.033 4.356 -4.814 1.00 0.00 N ATOM 977 NH2 ARG A 68 15.817 3.723 -2.591 1.00 0.00 N ATOM 0 H ARG A 68 15.723 -1.186 -8.252 1.00 0.00 H new ATOM 0 HA ARG A 68 14.566 1.241 -8.219 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.189 0.145 -7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.349 1.786 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.576 2.520 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.505 0.884 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.988 1.042 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.948 2.722 -5.867 1.00 0.00 H new ATOM 0 HE ARG A 68 16.984 1.642 -3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.349 4.156 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.565 5.238 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.969 3.041 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.349 4.605 -2.385 1.00 0.00 H new ATOM 991 N GLN A 69 14.875 2.543 -10.286 1.00 0.00 N ATOM 992 CA GLN A 69 15.007 3.323 -11.505 1.00 0.00 C ATOM 993 C GLN A 69 14.681 4.793 -11.231 1.00 0.00 C ATOM 994 O GLN A 69 14.104 5.123 -10.196 1.00 0.00 O ATOM 995 CB GLN A 69 14.116 2.762 -12.614 1.00 0.00 C ATOM 996 CG GLN A 69 14.747 1.521 -13.249 1.00 0.00 C ATOM 997 CD GLN A 69 16.059 1.872 -13.953 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.210 2.924 -14.551 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.997 0.935 -13.848 1.00 0.00 N ATOM 0 H GLN A 69 14.079 2.797 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 69 16.040 3.257 -11.846 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.138 2.509 -12.206 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.956 3.524 -13.377 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.932 0.770 -12.481 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.052 1.081 -13.965 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.805 0.076 -13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.909 1.075 -14.283 1.00 0.00 H new ATOM 1008 N LEU A 70 15.064 5.637 -12.177 1.00 0.00 N ATOM 1009 CA LEU A 70 14.820 7.064 -12.051 1.00 0.00 C ATOM 1010 C LEU A 70 13.314 7.312 -11.946 1.00 0.00 C ATOM 1011 O LEU A 70 12.886 8.383 -11.517 1.00 0.00 O ATOM 1012 CB LEU A 70 15.490 7.826 -13.197 1.00 0.00 C ATOM 1013 CG LEU A 70 16.534 8.868 -12.790 1.00 0.00 C ATOM 1014 CD1 LEU A 70 15.869 10.091 -12.156 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.595 8.252 -11.875 1.00 0.00 C ATOM 0 H LEU A 70 15.542 5.360 -13.035 1.00 0.00 H new ATOM 0 HA LEU A 70 15.272 7.448 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.967 7.102 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.714 8.325 -13.777 1.00 0.00 H new ATOM 0 HG LEU A 70 17.045 9.210 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.633 10.816 -11.876 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.183 10.544 -12.872 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.316 9.785 -11.268 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.325 9.013 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.118 7.865 -10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.098 7.439 -12.398 1.00 0.00 H new ATOM 1027 N HIS A 71 12.551 6.304 -12.343 1.00 0.00 N ATOM 1028 CA HIS A 71 11.102 6.399 -12.299 1.00 0.00 C ATOM 1029 C HIS A 71 10.492 5.002 -12.425 1.00 0.00 C ATOM 1030 O HIS A 71 10.076 4.598 -13.510 1.00 0.00 O ATOM 1031 CB HIS A 71 10.588 7.369 -13.365 1.00 0.00 C ATOM 1032 CG HIS A 71 9.085 7.384 -13.508 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.447 7.777 -14.672 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.102 7.048 -12.625 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.139 7.680 -14.485 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.927 7.228 -13.215 1.00 0.00 N ATOM 0 H HIS A 71 12.909 5.417 -12.697 1.00 0.00 H new ATOM 0 HA HIS A 71 10.790 6.808 -11.338 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.930 8.375 -13.121 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.031 7.106 -14.325 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.906 8.088 -15.528 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.254 6.695 -11.616 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.375 7.917 -15.210 1.00 0.00 H new ATOM 1044 N THR A 72 10.458 4.302 -11.301 1.00 0.00 N ATOM 1045 CA THR A 72 9.905 2.959 -11.272 1.00 0.00 C ATOM 1046 C THR A 72 8.378 3.009 -11.342 1.00 0.00 C ATOM 1047 O THR A 72 7.758 3.933 -10.817 1.00 0.00 O ATOM 1048 CB THR A 72 10.433 2.257 -10.019 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.846 2.235 -10.202 1.00 0.00 O ATOM 1050 CG2 THR A 72 10.041 0.779 -9.966 1.00 0.00 C ATOM 0 H THR A 72 10.805 4.640 -10.403 1.00 0.00 H new ATOM 0 HA THR A 72 10.220 2.383 -12.142 1.00 0.00 H new ATOM 0 HB THR A 72 10.054 2.765 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.269 1.798 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.441 0.329 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.955 0.690 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.448 0.263 -10.836 1.00 0.00 H new ATOM 1058 N THR A 73 7.814 2.003 -11.995 1.00 0.00 N ATOM 1059 CA THR A 73 6.371 1.920 -12.141 1.00 0.00 C ATOM 1060 C THR A 73 5.894 0.483 -11.923 1.00 0.00 C ATOM 1061 O THR A 73 6.625 -0.466 -12.203 1.00 0.00 O ATOM 1062 CB THR A 73 6.002 2.481 -13.516 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.806 1.733 -14.423 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.472 3.925 -13.705 1.00 0.00 C ATOM 0 H THR A 73 8.331 1.238 -12.429 1.00 0.00 H new ATOM 0 HA THR A 73 5.862 2.516 -11.383 1.00 0.00 H new ATOM 0 HB THR A 73 4.921 2.431 -13.650 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.629 2.031 -15.340 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.185 4.274 -14.697 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.010 4.560 -12.949 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.556 3.971 -13.604 1.00 0.00 H new ATOM 1072 N TRP A 74 4.672 0.368 -11.426 1.00 0.00 N ATOM 1073 CA TRP A 74 4.089 -0.938 -11.167 1.00 0.00 C ATOM 1074 C TRP A 74 2.882 -1.108 -12.092 1.00 0.00 C ATOM 1075 O TRP A 74 2.256 -0.127 -12.488 1.00 0.00 O ATOM 1076 CB TRP A 74 3.735 -1.097 -9.687 1.00 0.00 C ATOM 1077 CG TRP A 74 4.951 -1.236 -8.768 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.530 -2.362 -8.332 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.717 -0.160 -8.188 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.610 -2.092 -7.515 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.727 -0.710 -7.425 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.562 1.233 -8.303 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.660 0.059 -6.718 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.502 1.987 -7.591 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.525 1.448 -6.818 1.00 0.00 C ATOM 0 H TRP A 74 4.069 1.158 -11.196 1.00 0.00 H new ATOM 0 HA TRP A 74 4.806 -1.730 -11.381 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.149 -0.235 -9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.100 -1.975 -9.568 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.194 -3.356 -8.587 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.211 -2.780 -7.061 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.779 1.685 -8.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.442 -0.396 -6.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.428 3.063 -7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.212 2.099 -6.297 1.00 0.00 H new ATOM 1096 N GLU A 75 2.592 -2.362 -12.409 1.00 0.00 N ATOM 1097 CA GLU A 75 1.471 -2.673 -13.279 1.00 0.00 C ATOM 1098 C GLU A 75 0.193 -2.848 -12.457 1.00 0.00 C ATOM 1099 O GLU A 75 -0.908 -2.639 -12.963 1.00 0.00 O ATOM 1100 CB GLU A 75 1.759 -3.920 -14.118 1.00 0.00 C ATOM 1101 CG GLU A 75 1.942 -3.559 -15.593 1.00 0.00 C ATOM 1102 CD GLU A 75 2.419 -4.769 -16.399 1.00 0.00 C ATOM 1103 OE1 GLU A 75 3.650 -4.983 -16.427 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.541 -5.452 -16.969 1.00 0.00 O ATOM 0 H GLU A 75 3.114 -3.174 -12.079 1.00 0.00 H new ATOM 0 HA GLU A 75 1.326 -1.839 -13.965 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.657 -4.413 -13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.939 -4.631 -14.013 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.999 -3.194 -16.001 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.665 -2.748 -15.686 1.00 0.00 H new ATOM 1111 N GLU A 76 0.382 -3.230 -11.202 1.00 0.00 N ATOM 1112 CA GLU A 76 -0.742 -3.435 -10.305 1.00 0.00 C ATOM 1113 C GLU A 76 -0.725 -2.393 -9.186 1.00 0.00 C ATOM 1114 O GLU A 76 0.275 -1.704 -8.989 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.735 -4.854 -9.733 1.00 0.00 C ATOM 1116 CG GLU A 76 0.463 -5.066 -8.806 1.00 0.00 C ATOM 1117 CD GLU A 76 0.604 -6.540 -8.419 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.574 -7.375 -9.348 1.00 0.00 O ATOM 1119 OE2 GLU A 76 0.739 -6.797 -7.204 1.00 0.00 O ATOM 0 H GLU A 76 1.297 -3.403 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.663 -3.313 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.660 -5.033 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.702 -5.578 -10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.374 -4.727 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.344 -4.460 -7.908 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.844 -2.310 -8.481 1.00 0.00 N ATOM 1127 CA GLY A 77 -1.970 -1.363 -7.386 1.00 0.00 C ATOM 1128 C GLY A 77 -2.257 -2.084 -6.067 1.00 0.00 C ATOM 1129 O GLY A 77 -2.439 -3.300 -6.048 1.00 0.00 O ATOM 0 H GLY A 77 -2.671 -2.883 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.052 -0.783 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.773 -0.658 -7.601 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.289 -1.303 -4.997 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.551 -1.852 -3.678 1.00 0.00 C ATOM 1135 C LEU A 78 -4.043 -1.722 -3.363 1.00 0.00 C ATOM 1136 O LEU A 78 -4.795 -1.132 -4.137 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.643 -1.197 -2.635 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.169 -1.057 -3.022 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.477 0.127 -2.301 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.589 -2.363 -2.773 1.00 0.00 C ATOM 0 H LEU A 78 -2.138 -0.294 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.311 -2.915 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.035 -0.205 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.703 -1.777 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.114 -0.851 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.524 0.204 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.044 1.046 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.412 -0.024 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.634 -2.237 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.528 -2.623 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.145 -3.160 -3.369 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.425 -2.282 -2.225 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.814 -2.236 -1.798 1.00 0.00 C ATOM 1154 C VAL A 79 -5.908 -2.673 -0.335 1.00 0.00 C ATOM 1155 O VAL A 79 -5.560 -3.804 0.003 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.677 -3.087 -2.733 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.856 -4.213 -3.363 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.897 -3.643 -1.996 1.00 0.00 C ATOM 0 H VAL A 79 -3.798 -2.770 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.199 -1.218 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.035 -2.444 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.493 -4.802 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.034 -3.786 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.455 -4.854 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.494 -4.244 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.567 -4.264 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.500 -2.818 -1.617 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.379 -1.754 0.495 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.523 -2.030 1.914 1.00 0.00 C ATOM 1170 C LEU A 80 -8.010 -2.088 2.270 1.00 0.00 C ATOM 1171 O LEU A 80 -8.802 -1.290 1.772 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.732 -1.014 2.740 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.213 -1.199 2.756 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.842 -2.679 2.865 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.568 -0.534 1.538 1.00 0.00 C ATOM 0 H LEU A 80 -6.666 -0.817 0.212 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.099 -3.004 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.953 -0.016 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.093 -1.051 3.768 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.817 -0.702 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.757 -2.782 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.254 -3.090 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.251 -3.220 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.488 -0.680 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.965 -0.981 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.790 0.533 1.546 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.352 -3.066 3.151 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.730 -3.238 3.579 1.00 0.00 C ATOM 1189 C PRO A 81 -10.135 -2.150 4.575 1.00 0.00 C ATOM 1190 O PRO A 81 -9.443 -1.922 5.567 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.786 -4.637 4.171 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.346 -5.018 4.477 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.441 -4.029 3.761 1.00 0.00 C ATOM 0 HA PRO A 81 -10.441 -3.138 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.395 -4.655 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.236 -5.340 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.164 -4.993 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.141 -6.035 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.758 -3.542 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.829 -4.526 3.009 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.255 -1.507 4.278 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.760 -0.448 5.135 1.00 0.00 C ATOM 1203 C LEU A 82 -13.271 -0.314 4.936 1.00 0.00 C ATOM 1204 O LEU A 82 -13.794 -0.662 3.878 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.990 0.851 4.893 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.490 2.080 5.655 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.165 1.971 7.146 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.939 3.368 5.040 1.00 0.00 C ATOM 0 H LEU A 82 -11.827 -1.699 3.456 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.597 -0.697 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.945 0.685 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.018 1.073 3.826 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.576 2.119 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.531 2.857 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.646 1.084 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.086 1.893 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.310 4.226 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.850 3.353 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.264 3.444 4.003 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.929 0.191 5.969 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.370 0.376 5.920 1.00 0.00 C ATOM 1222 C ALA A 83 -15.682 1.855 5.685 1.00 0.00 C ATOM 1223 O ALA A 83 -15.027 2.729 6.251 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.997 -0.155 7.211 1.00 0.00 C ATOM 0 H ALA A 83 -13.491 0.478 6.845 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.802 -0.187 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.078 -0.016 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.771 -1.216 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.590 0.389 8.064 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.684 2.090 4.850 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.091 3.449 4.534 1.00 0.00 C ATOM 1232 C GLU A 84 -17.372 4.231 5.818 1.00 0.00 C ATOM 1233 O GLU A 84 -17.334 5.461 5.821 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.311 3.454 3.610 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.449 4.798 2.893 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.921 5.168 2.700 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.704 4.242 2.397 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.230 6.369 2.860 1.00 0.00 O ATOM 0 H GLU A 84 -17.226 1.363 4.383 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.274 3.939 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.219 2.654 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.212 3.253 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.948 5.575 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.952 4.750 1.924 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.648 3.487 6.879 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.935 4.095 8.166 1.00 0.00 C ATOM 1247 C GLU A 85 -16.633 4.422 8.901 1.00 0.00 C ATOM 1248 O GLU A 85 -16.635 5.190 9.862 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.831 3.189 9.014 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.210 1.800 9.173 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.822 1.060 10.365 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.993 0.643 10.234 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.104 0.928 11.380 1.00 0.00 O ATOM 0 H GLU A 85 -17.679 2.467 6.873 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.476 5.026 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.984 3.638 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.812 3.102 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.365 1.222 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.133 1.893 9.312 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.554 3.822 8.422 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.248 4.039 9.021 1.00 0.00 C ATOM 1262 C GLU A 86 -13.368 4.872 8.088 1.00 0.00 C ATOM 1263 O GLU A 86 -12.158 4.967 8.290 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.576 2.709 9.368 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.591 1.710 9.926 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.938 0.779 10.949 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -13.106 -0.047 10.515 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.285 0.914 12.143 1.00 0.00 O ATOM 0 H GLU A 86 -15.557 3.185 7.625 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.383 4.593 9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.103 2.294 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.786 2.877 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.417 2.247 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.013 1.122 9.111 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.009 5.455 7.085 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.299 6.277 6.120 1.00 0.00 C ATOM 1277 C LEU A 87 -12.767 7.531 6.818 1.00 0.00 C ATOM 1278 O LEU A 87 -11.587 7.856 6.701 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.190 6.577 4.913 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.163 5.542 3.786 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.278 5.806 2.773 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.785 5.492 3.122 1.00 0.00 C ATOM 0 H LEU A 87 -15.012 5.374 6.920 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.436 5.741 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.218 6.679 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.896 7.542 4.500 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.348 4.559 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.236 5.057 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.245 5.752 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.149 6.798 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.792 4.749 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.547 6.470 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.033 5.221 3.864 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.687 8.217 7.546 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.323 9.428 8.263 1.00 0.00 C ATOM 1296 C PRO A 88 -12.520 9.098 9.523 1.00 0.00 C ATOM 1297 O PRO A 88 -11.952 9.990 10.152 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.642 10.120 8.563 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.715 9.052 8.418 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.094 7.861 7.707 1.00 0.00 C ATOM 0 HA PRO A 88 -12.670 10.080 7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.643 10.540 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.816 10.945 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.095 8.757 9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.562 9.437 7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.207 6.948 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.570 7.683 6.743 1.00 0.00 H new ATOM 1308 N THR A 89 -12.498 7.816 9.854 1.00 0.00 N ATOM 1309 CA THR A 89 -11.774 7.358 11.027 1.00 0.00 C ATOM 1310 C THR A 89 -10.620 6.440 10.618 1.00 0.00 C ATOM 1311 O THR A 89 -10.208 5.574 11.388 1.00 0.00 O ATOM 1312 CB THR A 89 -12.777 6.689 11.970 1.00 0.00 C ATOM 1313 OG1 THR A 89 -12.711 5.308 11.624 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.223 7.081 11.661 1.00 0.00 C ATOM 0 H THR A 89 -12.970 7.079 9.330 1.00 0.00 H new ATOM 0 HA THR A 89 -11.313 8.191 11.557 1.00 0.00 H new ATOM 0 HB THR A 89 -12.540 6.957 13.000 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.330 4.799 12.189 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.893 6.579 12.359 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.337 8.160 11.762 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.471 6.783 10.642 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.132 6.662 9.406 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.033 5.866 8.885 1.00 0.00 C ATOM 1324 C ALA A 90 -8.059 6.778 8.137 1.00 0.00 C ATOM 1325 O ALA A 90 -8.414 7.891 7.754 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.587 4.751 7.996 1.00 0.00 C ATOM 0 H ALA A 90 -10.477 7.381 8.770 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.483 5.392 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.763 4.154 7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.250 4.115 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.143 5.189 7.167 1.00 0.00 H new ATOM 1332 N THR A 91 -6.848 6.272 7.952 1.00 0.00 N ATOM 1333 CA THR A 91 -5.820 7.027 7.257 1.00 0.00 C ATOM 1334 C THR A 91 -4.850 6.080 6.548 1.00 0.00 C ATOM 1335 O THR A 91 -4.501 5.028 7.082 1.00 0.00 O ATOM 1336 CB THR A 91 -5.138 7.945 8.274 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.208 8.417 9.088 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.571 9.212 7.631 1.00 0.00 C ATOM 0 H THR A 91 -6.556 5.348 8.272 1.00 0.00 H new ATOM 0 HA THR A 91 -6.250 7.649 6.472 1.00 0.00 H new ATOM 0 HB THR A 91 -4.336 7.401 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.855 9.019 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.098 9.828 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.832 8.938 6.878 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.378 9.774 7.160 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.442 6.486 5.355 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.520 5.687 4.567 1.00 0.00 C ATOM 1348 C LEU A 92 -2.108 6.262 4.703 1.00 0.00 C ATOM 1349 O LEU A 92 -1.938 7.471 4.849 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.003 5.582 3.119 1.00 0.00 C ATOM 1351 CG LEU A 92 -2.952 5.163 2.089 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.457 3.741 2.358 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -3.485 5.325 0.664 1.00 0.00 C ATOM 0 H LEU A 92 -4.733 7.359 4.915 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.487 4.664 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.824 4.866 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.409 6.549 2.821 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.093 5.827 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.711 3.468 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.011 3.693 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.296 3.047 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.718 5.020 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.370 4.702 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.747 6.369 0.490 1.00 0.00 H new ATOM 1365 N THR A 93 -1.132 5.367 4.652 1.00 0.00 N ATOM 1366 CA THR A 93 0.259 5.770 4.768 1.00 0.00 C ATOM 1367 C THR A 93 1.150 4.864 3.916 1.00 0.00 C ATOM 1368 O THR A 93 1.524 3.774 4.346 1.00 0.00 O ATOM 1369 CB THR A 93 0.630 5.766 6.252 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.159 6.813 6.810 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.072 6.215 6.496 1.00 0.00 C ATOM 0 H THR A 93 -1.277 4.365 4.532 1.00 0.00 H new ATOM 0 HA THR A 93 0.412 6.778 4.383 1.00 0.00 H new ATOM 0 HB THR A 93 0.488 4.765 6.659 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.018 6.879 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.284 6.194 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.755 5.542 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.206 7.229 6.119 1.00 0.00 H new ATOM 1379 N LEU A 94 1.464 5.348 2.724 1.00 0.00 N ATOM 1380 CA LEU A 94 2.304 4.595 1.808 1.00 0.00 C ATOM 1381 C LEU A 94 3.763 4.701 2.256 1.00 0.00 C ATOM 1382 O LEU A 94 4.281 5.801 2.442 1.00 0.00 O ATOM 1383 CB LEU A 94 2.069 5.052 0.366 1.00 0.00 C ATOM 1384 CG LEU A 94 0.625 4.975 -0.134 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.344 6.071 -1.165 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.307 3.581 -0.678 1.00 0.00 C ATOM 0 H LEU A 94 1.152 6.253 2.371 1.00 0.00 H new ATOM 0 HA LEU A 94 2.039 3.538 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.411 6.083 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.693 4.448 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.040 5.149 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.689 5.995 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.505 7.048 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.015 5.951 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.725 3.553 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.976 3.353 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.443 2.842 0.112 1.00 0.00 H new ATOM 1398 N THR A 95 4.385 3.542 2.417 1.00 0.00 N ATOM 1399 CA THR A 95 5.774 3.491 2.840 1.00 0.00 C ATOM 1400 C THR A 95 6.629 2.794 1.780 1.00 0.00 C ATOM 1401 O THR A 95 6.272 1.721 1.296 1.00 0.00 O ATOM 1402 CB THR A 95 5.827 2.808 4.208 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.488 2.371 4.430 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.089 3.796 5.346 1.00 0.00 C ATOM 0 H THR A 95 3.952 2.631 2.262 1.00 0.00 H new ATOM 0 HA THR A 95 6.193 4.492 2.944 1.00 0.00 H new ATOM 0 HB THR A 95 6.606 2.045 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.432 1.915 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.117 3.260 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.045 4.294 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.292 4.539 5.373 1.00 0.00 H new ATOM 1412 N LEU A 96 7.742 3.432 1.450 1.00 0.00 N ATOM 1413 CA LEU A 96 8.651 2.887 0.455 1.00 0.00 C ATOM 1414 C LEU A 96 9.823 2.203 1.163 1.00 0.00 C ATOM 1415 O LEU A 96 10.775 2.864 1.573 1.00 0.00 O ATOM 1416 CB LEU A 96 9.078 3.974 -0.533 1.00 0.00 C ATOM 1417 CG LEU A 96 10.182 3.587 -1.519 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.742 2.418 -2.404 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.628 4.795 -2.345 1.00 0.00 C ATOM 0 H LEU A 96 8.035 4.321 1.854 1.00 0.00 H new ATOM 0 HA LEU A 96 8.151 2.125 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.202 4.284 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.413 4.842 0.035 1.00 0.00 H new ATOM 0 HG LEU A 96 11.047 3.251 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.545 2.163 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.513 1.555 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.854 2.703 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.413 4.492 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.779 5.185 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.010 5.570 -1.680 1.00 0.00 H new ATOM 1431 N ARG A 97 9.714 0.888 1.284 1.00 0.00 N ATOM 1432 CA ARG A 97 10.752 0.108 1.934 1.00 0.00 C ATOM 1433 C ARG A 97 11.612 -0.607 0.890 1.00 0.00 C ATOM 1434 O ARG A 97 11.126 -0.958 -0.185 1.00 0.00 O ATOM 1435 CB ARG A 97 10.149 -0.929 2.884 1.00 0.00 C ATOM 1436 CG ARG A 97 9.688 -0.275 4.188 1.00 0.00 C ATOM 1437 CD ARG A 97 8.181 -0.447 4.386 1.00 0.00 C ATOM 1438 NE ARG A 97 7.783 0.064 5.716 1.00 0.00 N ATOM 1439 CZ ARG A 97 8.082 -0.540 6.874 1.00 0.00 C ATOM 1440 NH1 ARG A 97 8.784 -1.681 6.872 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.679 -0.003 8.034 1.00 0.00 N ATOM 0 H ARG A 97 8.922 0.343 0.942 1.00 0.00 H new ATOM 0 HA ARG A 97 11.371 0.796 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.305 -1.422 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.887 -1.701 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.222 -0.718 5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.938 0.786 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.640 0.088 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.912 -1.499 4.296 1.00 0.00 H new ATOM 0 HE ARG A 97 7.247 0.931 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.091 -2.090 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.012 -2.141 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.144 0.866 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.907 -0.463 8.915 1.00 0.00 H new ATOM 1455 N THR A 98 12.874 -0.801 1.241 1.00 0.00 N ATOM 1456 CA THR A 98 13.806 -1.468 0.348 1.00 0.00 C ATOM 1457 C THR A 98 14.028 -2.915 0.791 1.00 0.00 C ATOM 1458 O THR A 98 14.205 -3.184 1.978 1.00 0.00 O ATOM 1459 CB THR A 98 15.093 -0.642 0.305 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.266 -0.197 1.648 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.933 0.651 -0.497 1.00 0.00 C ATOM 0 H THR A 98 13.274 -0.508 2.132 1.00 0.00 H new ATOM 0 HA THR A 98 13.407 -1.529 -0.665 1.00 0.00 H new ATOM 0 HB THR A 98 15.894 -1.242 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.080 0.345 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.875 1.199 -0.496 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.655 0.411 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.155 1.266 -0.044 1.00 0.00 H new ATOM 1469 N CYS A 99 14.010 -3.809 -0.186 1.00 0.00 N ATOM 1470 CA CYS A 99 14.207 -5.222 0.088 1.00 0.00 C ATOM 1471 C CYS A 99 15.328 -5.360 1.121 1.00 0.00 C ATOM 1472 O CYS A 99 16.212 -4.508 1.199 1.00 0.00 O ATOM 1473 CB CYS A 99 14.507 -6.010 -1.189 1.00 0.00 C ATOM 1474 SG CYS A 99 14.930 -7.741 -0.771 1.00 0.00 S ATOM 0 H CYS A 99 13.862 -3.582 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 99 13.288 -5.648 0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.642 -5.988 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.333 -5.545 -1.728 1.00 0.00 H new ATOM 0 HG CYS A 99 15.181 -8.402 -1.862 1.00 0.00 H new ATOM 1599 N VAL A 107 12.290 3.069 6.385 1.00 0.00 N ATOM 1600 CA VAL A 107 11.403 3.584 5.355 1.00 0.00 C ATOM 1601 C VAL A 107 12.188 4.521 4.434 1.00 0.00 C ATOM 1602 O VAL A 107 12.760 5.509 4.891 1.00 0.00 O ATOM 1603 CB VAL A 107 10.189 4.256 5.998 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.606 5.330 5.078 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.127 3.223 6.377 1.00 0.00 C ATOM 0 HA VAL A 107 11.019 2.770 4.740 1.00 0.00 H new ATOM 0 HB VAL A 107 10.522 4.744 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.744 5.792 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.362 6.090 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.296 4.874 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.275 3.728 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.800 2.693 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.549 2.511 7.087 1.00 0.00 H new ATOM 1615 N ALA A 108 12.189 4.176 3.155 1.00 0.00 N ATOM 1616 CA ALA A 108 12.894 4.974 2.166 1.00 0.00 C ATOM 1617 C ALA A 108 12.145 6.291 1.951 1.00 0.00 C ATOM 1618 O ALA A 108 12.718 7.263 1.461 1.00 0.00 O ATOM 1619 CB ALA A 108 13.043 4.170 0.873 1.00 0.00 C ATOM 0 H ALA A 108 11.713 3.355 2.781 1.00 0.00 H new ATOM 0 HA ALA A 108 13.897 5.219 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.572 4.769 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.607 3.259 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.056 3.908 0.491 1.00 0.00 H new ATOM 1625 N GLY A 109 10.874 6.280 2.328 1.00 0.00 N ATOM 1626 CA GLY A 109 10.041 7.461 2.183 1.00 0.00 C ATOM 1627 C GLY A 109 8.600 7.171 2.611 1.00 0.00 C ATOM 1628 O GLY A 109 8.048 6.125 2.275 1.00 0.00 O ATOM 0 H GLY A 109 10.402 5.472 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.447 8.273 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.056 7.796 1.146 1.00 0.00 H new ATOM 1632 N GLU A 110 8.034 8.117 3.346 1.00 0.00 N ATOM 1633 CA GLU A 110 6.669 7.977 3.823 1.00 0.00 C ATOM 1634 C GLU A 110 5.740 8.926 3.063 1.00 0.00 C ATOM 1635 O GLU A 110 6.129 10.044 2.727 1.00 0.00 O ATOM 1636 CB GLU A 110 6.588 8.221 5.331 1.00 0.00 C ATOM 1637 CG GLU A 110 6.510 6.899 6.097 1.00 0.00 C ATOM 1638 CD GLU A 110 7.391 6.937 7.347 1.00 0.00 C ATOM 1639 OE1 GLU A 110 7.763 8.062 7.746 1.00 0.00 O ATOM 1640 OE2 GLU A 110 7.674 5.841 7.876 1.00 0.00 O ATOM 0 H GLU A 110 8.496 8.983 3.623 1.00 0.00 H new ATOM 0 HA GLU A 110 6.343 6.954 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.461 8.785 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.712 8.829 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.477 6.700 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.826 6.081 5.450 1.00 0.00 H new ATOM 1647 N LEU A 111 4.531 8.446 2.814 1.00 0.00 N ATOM 1648 CA LEU A 111 3.544 9.238 2.100 1.00 0.00 C ATOM 1649 C LEU A 111 2.202 9.154 2.830 1.00 0.00 C ATOM 1650 O LEU A 111 1.560 8.105 2.837 1.00 0.00 O ATOM 1651 CB LEU A 111 3.473 8.810 0.632 1.00 0.00 C ATOM 1652 CG LEU A 111 3.161 9.918 -0.376 1.00 0.00 C ATOM 1653 CD1 LEU A 111 2.293 11.007 0.258 1.00 0.00 C ATOM 1654 CD2 LEU A 111 4.447 10.488 -0.978 1.00 0.00 C ATOM 0 H LEU A 111 4.212 7.518 3.094 1.00 0.00 H new ATOM 0 HA LEU A 111 3.836 10.288 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.426 8.357 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.713 8.035 0.537 1.00 0.00 H new ATOM 0 HG LEU A 111 2.586 9.484 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.086 11.782 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.354 10.571 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.820 11.444 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.198 11.274 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.068 10.902 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.993 9.694 -1.488 1.00 0.00 H new ATOM 1666 N ARG A 112 1.819 10.272 3.429 1.00 0.00 N ATOM 1667 CA ARG A 112 0.566 10.337 4.161 1.00 0.00 C ATOM 1668 C ARG A 112 -0.576 10.737 3.224 1.00 0.00 C ATOM 1669 O ARG A 112 -0.412 11.619 2.382 1.00 0.00 O ATOM 1670 CB ARG A 112 0.651 11.344 5.310 1.00 0.00 C ATOM 1671 CG ARG A 112 -0.745 11.742 5.795 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.489 10.536 6.372 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.706 10.723 7.824 1.00 0.00 N ATOM 1674 CZ ARG A 112 -2.539 11.633 8.348 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -3.238 12.443 7.542 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.673 11.732 9.678 1.00 0.00 N ATOM 0 H ARG A 112 2.355 11.140 3.422 1.00 0.00 H new ATOM 0 HA ARG A 112 0.371 9.347 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.217 10.912 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.192 12.231 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.662 12.520 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.315 12.164 4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.446 10.413 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.915 9.626 6.196 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.189 10.122 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.136 12.367 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.872 13.136 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.141 11.115 10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.307 12.425 10.077 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.706 10.070 3.403 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.875 10.345 2.584 1.00 0.00 C ATOM 1692 C LEU A 113 -4.138 10.173 3.431 1.00 0.00 C ATOM 1693 O LEU A 113 -4.067 9.719 4.571 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.859 9.482 1.321 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.602 9.583 0.455 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.610 8.524 -0.649 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.435 10.996 -0.107 1.00 0.00 C ATOM 0 H LEU A 113 -1.838 9.340 4.103 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.862 11.378 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.991 8.441 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.720 9.752 0.710 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.736 9.383 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.705 8.618 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.646 7.531 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.484 8.667 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.534 11.040 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.301 11.249 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.351 11.707 0.715 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.263 10.546 2.840 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.540 10.439 3.525 1.00 0.00 C ATOM 1711 C GLY A 114 -7.559 9.681 2.672 1.00 0.00 C ATOM 1712 O GLY A 114 -7.381 9.543 1.462 1.00 0.00 O ATOM 0 H GLY A 114 -5.317 10.923 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.404 9.926 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.920 11.435 3.751 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.604 9.210 3.335 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.652 8.470 2.652 1.00 0.00 C ATOM 1718 C LEU A 115 -10.961 9.257 2.731 1.00 0.00 C ATOM 1719 O LEU A 115 -11.750 9.254 1.787 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.754 7.048 3.209 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.438 6.405 3.652 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.305 6.755 2.686 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.100 6.786 5.095 1.00 0.00 C ATOM 0 H LEU A 115 -8.748 9.326 4.338 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.411 8.357 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.434 7.061 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.208 6.413 2.448 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.561 5.322 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.381 6.286 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.553 6.393 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.173 7.837 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.160 6.316 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.003 7.869 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.896 6.445 5.757 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.153 9.912 3.867 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.353 10.702 4.082 1.00 0.00 C ATOM 1737 C ASP A 116 -12.658 11.512 2.820 1.00 0.00 C ATOM 1738 O ASP A 116 -13.816 11.818 2.539 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.166 11.685 5.240 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.921 12.568 5.143 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -9.822 11.988 5.012 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -11.097 13.805 5.204 1.00 0.00 O ATOM 0 H ASP A 116 -10.497 9.912 4.648 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.169 10.018 4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.045 12.327 5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.122 11.121 6.172 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.599 11.837 2.093 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.739 12.605 0.868 1.00 0.00 C ATOM 1749 C GLY A 117 -11.277 14.049 1.070 1.00 0.00 C ATOM 1750 O GLY A 117 -11.806 14.968 0.446 1.00 0.00 O ATOM 0 H GLY A 117 -10.640 11.582 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.154 12.140 0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.780 12.594 0.545 1.00 0.00 H new ATOM 1754 N THR A 118 -10.294 14.205 1.945 1.00 0.00 N ATOM 1755 CA THR A 118 -9.754 15.522 2.238 1.00 0.00 C ATOM 1756 C THR A 118 -8.371 15.684 1.605 1.00 0.00 C ATOM 1757 O THR A 118 -8.242 16.255 0.523 1.00 0.00 O ATOM 1758 CB THR A 118 -9.753 15.706 3.757 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.108 16.015 4.070 1.00 0.00 O ATOM 1760 CG2 THR A 118 -8.976 16.949 4.195 1.00 0.00 C ATOM 0 H THR A 118 -9.857 13.441 2.461 1.00 0.00 H new ATOM 0 HA THR A 118 -10.370 16.308 1.802 1.00 0.00 H new ATOM 0 HB THR A 118 -9.322 14.823 4.230 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.506 15.272 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.006 17.033 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.940 16.865 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.427 17.836 3.750 1.00 0.00 H new ATOM 1768 N SER A 119 -7.371 15.172 2.307 1.00 0.00 N ATOM 1769 CA SER A 119 -6.001 15.253 1.827 1.00 0.00 C ATOM 1770 C SER A 119 -5.965 15.047 0.311 1.00 0.00 C ATOM 1771 O SER A 119 -5.659 15.974 -0.437 1.00 0.00 O ATOM 1772 CB SER A 119 -5.112 14.222 2.524 1.00 0.00 C ATOM 1773 OG SER A 119 -4.945 14.510 3.910 1.00 0.00 O ATOM 0 H SER A 119 -7.481 14.700 3.204 1.00 0.00 H new ATOM 0 HA SER A 119 -5.614 16.245 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.549 13.230 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.136 14.198 2.039 1.00 0.00 H new ATOM 0 HG SER A 119 -4.373 13.828 4.319 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.281 13.827 -0.096 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.289 13.488 -1.509 1.00 0.00 C ATOM 1781 C VAL A 120 -7.664 12.938 -1.890 1.00 0.00 C ATOM 1782 O VAL A 120 -8.273 12.192 -1.124 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.149 12.516 -1.820 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -3.880 13.269 -2.225 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -4.880 11.588 -0.633 1.00 0.00 C ATOM 0 H VAL A 120 -6.534 13.061 0.528 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.116 14.377 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.457 11.900 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.086 12.554 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.080 13.868 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.569 13.922 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.065 10.907 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.604 12.182 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.778 11.013 -0.410 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.127 13.337 -3.105 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.419 12.892 -3.597 1.00 0.00 C ATOM 1797 C PRO A 121 -9.358 11.436 -4.061 1.00 0.00 C ATOM 1798 O PRO A 121 -8.279 10.849 -4.135 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.767 13.858 -4.718 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.459 14.518 -5.121 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.434 14.220 -4.039 1.00 0.00 C ATOM 0 HA PRO A 121 -10.189 12.903 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.215 13.332 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.492 14.600 -4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.120 14.136 -6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.593 15.594 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.548 13.740 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.101 15.134 -3.547 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.529 10.893 -4.360 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.622 9.516 -4.815 1.00 0.00 C ATOM 1811 C LEU A 122 -10.675 9.491 -6.344 1.00 0.00 C ATOM 1812 O LEU A 122 -11.077 10.470 -6.971 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.803 8.810 -4.146 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.633 8.476 -2.663 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.964 8.054 -2.039 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.545 7.420 -2.460 1.00 0.00 C ATOM 0 H LEU A 122 -11.422 11.382 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.736 8.955 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.687 9.438 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.000 7.884 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.307 9.378 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.814 7.822 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.684 8.867 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.344 7.172 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.444 7.201 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.817 6.510 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.597 7.796 -2.844 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.265 8.360 -6.900 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.261 8.194 -8.343 1.00 0.00 C ATOM 1830 C GLY A 123 -9.508 9.339 -9.024 1.00 0.00 C ATOM 1831 O GLY A 123 -9.766 9.652 -10.185 1.00 0.00 O ATOM 0 H GLY A 123 -9.933 7.550 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.796 7.243 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.286 8.158 -8.711 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.591 9.931 -8.273 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.798 11.034 -8.790 1.00 0.00 C ATOM 1837 C ALA A 124 -6.323 10.793 -8.463 1.00 0.00 C ATOM 1838 O ALA A 124 -5.888 11.022 -7.336 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.317 12.351 -8.211 1.00 0.00 C ATOM 0 H ALA A 124 -8.379 9.668 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.889 11.097 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.722 13.178 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.360 12.488 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.239 12.326 -7.124 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.594 10.335 -9.470 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.177 10.061 -9.304 1.00 0.00 C ATOM 1847 C ALA A 125 -3.447 11.360 -8.957 1.00 0.00 C ATOM 1848 O ALA A 125 -3.688 12.395 -9.577 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.630 9.406 -10.574 1.00 0.00 C ATOM 0 H ALA A 125 -5.958 10.147 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.016 9.363 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.567 9.201 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.160 8.472 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.772 10.078 -11.420 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.571 11.265 -7.968 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.806 12.420 -7.532 1.00 0.00 C ATOM 1857 C GLN A 126 -0.325 12.057 -7.403 1.00 0.00 C ATOM 1858 O GLN A 126 0.021 10.885 -7.261 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.351 12.974 -6.214 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.846 13.283 -6.326 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.082 14.779 -6.538 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.171 15.546 -6.808 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.351 15.152 -6.401 1.00 0.00 N ATOM 0 H GLN A 126 -2.374 10.405 -7.456 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.905 13.202 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.184 12.252 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.808 13.880 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.276 12.722 -7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.358 12.955 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.065 14.459 -6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -5.611 16.131 -6.523 1.00 0.00 H new ATOM 1872 N TRP A 127 0.510 13.085 -7.457 1.00 0.00 N ATOM 1873 CA TRP A 127 1.946 12.889 -7.348 1.00 0.00 C ATOM 1874 C TRP A 127 2.396 13.434 -5.991 1.00 0.00 C ATOM 1875 O TRP A 127 2.768 14.601 -5.880 1.00 0.00 O ATOM 1876 CB TRP A 127 2.678 13.536 -8.525 1.00 0.00 C ATOM 1877 CG TRP A 127 2.875 12.606 -9.724 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.228 12.623 -10.897 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.814 11.513 -9.818 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.679 11.625 -11.737 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.673 10.929 -11.061 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.750 11.034 -8.885 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.437 9.835 -11.484 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.505 9.940 -9.323 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.376 9.340 -10.570 1.00 0.00 C ATOM 0 H TRP A 127 0.220 14.056 -7.575 1.00 0.00 H new ATOM 0 HA TRP A 127 2.196 11.829 -7.397 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.120 14.415 -8.848 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.653 13.885 -8.185 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.451 13.329 -11.153 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.344 11.434 -12.681 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.877 11.475 -7.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.309 9.396 -12.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.240 9.533 -8.644 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.997 8.496 -10.833 1.00 0.00 H new ATOM 1896 N GLY A 128 2.346 12.563 -4.994 1.00 0.00 N ATOM 1897 CA GLY A 128 2.744 12.943 -3.649 1.00 0.00 C ATOM 1898 C GLY A 128 4.260 12.829 -3.473 1.00 0.00 C ATOM 1899 O GLY A 128 4.918 12.083 -4.196 1.00 0.00 O ATOM 0 H GLY A 128 2.036 11.596 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.427 13.966 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.241 12.304 -2.923 1.00 0.00 H new ATOM 1903 N GLU A 129 4.769 13.579 -2.507 1.00 0.00 N ATOM 1904 CA GLU A 129 6.195 13.571 -2.227 1.00 0.00 C ATOM 1905 C GLU A 129 6.474 12.835 -0.915 1.00 0.00 C ATOM 1906 O GLU A 129 5.931 13.193 0.130 1.00 0.00 O ATOM 1907 CB GLU A 129 6.753 14.995 -2.186 1.00 0.00 C ATOM 1908 CG GLU A 129 8.139 15.022 -1.538 1.00 0.00 C ATOM 1909 CD GLU A 129 8.672 16.453 -1.443 1.00 0.00 C ATOM 1910 OE1 GLU A 129 8.647 17.139 -2.488 1.00 0.00 O ATOM 1911 OE2 GLU A 129 9.093 16.830 -0.328 1.00 0.00 O ATOM 0 H GLU A 129 4.220 14.196 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 129 6.701 13.040 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.813 15.395 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.074 15.640 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.087 14.583 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.829 14.411 -2.120 1.00 0.00 H new ATOM 1918 N LEU A 130 7.320 11.820 -1.011 1.00 0.00 N ATOM 1919 CA LEU A 130 7.678 11.031 0.155 1.00 0.00 C ATOM 1920 C LEU A 130 8.322 11.940 1.203 1.00 0.00 C ATOM 1921 O LEU A 130 9.221 12.718 0.887 1.00 0.00 O ATOM 1922 CB LEU A 130 8.553 9.843 -0.250 1.00 0.00 C ATOM 1923 CG LEU A 130 7.895 8.806 -1.162 1.00 0.00 C ATOM 1924 CD1 LEU A 130 8.949 7.946 -1.863 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.885 7.956 -0.387 1.00 0.00 C ATOM 0 H LEU A 130 7.768 11.526 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 130 6.787 10.600 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.442 10.226 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.890 9.339 0.656 1.00 0.00 H new ATOM 0 HG LEU A 130 7.342 9.335 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.455 7.217 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.595 8.583 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.548 7.425 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.432 7.227 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.394 7.435 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.109 8.600 0.026 1.00 0.00 H new ATOM 1937 N LYS A 131 7.837 11.812 2.430 1.00 0.00 N ATOM 1938 CA LYS A 131 8.354 12.613 3.527 1.00 0.00 C ATOM 1939 C LYS A 131 9.417 11.811 4.280 1.00 0.00 C ATOM 1940 O LYS A 131 9.269 11.543 5.472 1.00 0.00 O ATOM 1941 CB LYS A 131 7.211 13.106 4.415 1.00 0.00 C ATOM 1942 CG LYS A 131 6.269 14.027 3.637 1.00 0.00 C ATOM 1943 CD LYS A 131 5.102 13.239 3.040 1.00 0.00 C ATOM 1944 CE LYS A 131 4.180 14.153 2.230 1.00 0.00 C ATOM 1945 NZ LYS A 131 2.872 14.302 2.907 1.00 0.00 N ATOM 0 H LYS A 131 7.092 11.166 2.688 1.00 0.00 H new ATOM 0 HA LYS A 131 8.841 13.511 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.653 12.253 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.618 13.638 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.887 14.805 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.820 14.528 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.485 12.444 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.535 12.760 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.645 15.131 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.034 13.740 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.259 14.925 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.423 13.369 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.014 14.717 3.850 1.00 0.00 H new