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= -0.586 K(o=-0.87,f=-6!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.15 F(o=-2.2,f=-1.1) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 18 CYS SG : rot -57:sc= 0.263 USER MOD Single : A 21 TYR OH : rot -39:sc= -2.25! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.912 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 46 CYS SG : rot -171:sc= -0.564 USER MOD Single : A 47 TYR OH : rot 179:sc= -2.28! USER MOD Single : A 49 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.5!) USER MOD Single : A 51 SER OG : rot 8:sc= 0.589 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc=-0.00516 X(o=-0.0052,f=-0.15) USER MOD Single : A 63 THR OG1 : rot 125:sc= 0.811 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= -0.523 X(o=-0.52,f=-0.15) USER MOD Single : A 71 HIS : no HE2:sc= -0.31 K(o=-0.31,f=-2.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 44:sc= 0.131 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 113:sc= 1.14 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -6.77! C(o=-6.8!,f=-12!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.813 15.545 -4.525 1.00 0.00 N ATOM 133 CA ALA A 12 13.017 14.901 -3.494 1.00 0.00 C ATOM 134 C ALA A 12 12.367 13.641 -4.071 1.00 0.00 C ATOM 135 O ALA A 12 12.106 13.566 -5.270 1.00 0.00 O ATOM 136 CB ALA A 12 11.986 15.892 -2.951 1.00 0.00 C ATOM 0 HA ALA A 12 13.646 14.595 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.389 15.409 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.499 16.755 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.334 16.219 -3.761 1.00 0.00 H new ATOM 142 N PRO A 13 12.120 12.657 -3.165 1.00 0.00 N ATOM 143 CA PRO A 13 11.505 11.404 -3.571 1.00 0.00 C ATOM 144 C PRO A 13 10.009 11.587 -3.834 1.00 0.00 C ATOM 145 O PRO A 13 9.282 12.088 -2.979 1.00 0.00 O ATOM 146 CB PRO A 13 11.795 10.437 -2.435 1.00 0.00 C ATOM 147 CG PRO A 13 12.153 11.300 -1.235 1.00 0.00 C ATOM 148 CD PRO A 13 12.416 12.710 -1.737 1.00 0.00 C ATOM 0 HA PRO A 13 11.905 11.024 -4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.927 9.813 -2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.615 9.766 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.341 11.299 -0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.034 10.904 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.782 13.436 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.449 13.008 -1.558 1.00 0.00 H new ATOM 156 N LYS A 14 9.594 11.170 -5.021 1.00 0.00 N ATOM 157 CA LYS A 14 8.198 11.281 -5.408 1.00 0.00 C ATOM 158 C LYS A 14 7.588 9.882 -5.507 1.00 0.00 C ATOM 159 O LYS A 14 8.267 8.930 -5.889 1.00 0.00 O ATOM 160 CB LYS A 14 8.061 12.104 -6.690 1.00 0.00 C ATOM 161 CG LYS A 14 7.480 13.488 -6.394 1.00 0.00 C ATOM 162 CD LYS A 14 6.568 13.955 -7.530 1.00 0.00 C ATOM 163 CE LYS A 14 7.336 14.037 -8.851 1.00 0.00 C ATOM 164 NZ LYS A 14 6.837 15.164 -9.671 1.00 0.00 N ATOM 0 H LYS A 14 10.201 10.754 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 14 7.634 11.822 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.037 12.209 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.418 11.579 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.918 13.458 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.290 14.204 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.730 13.266 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.150 14.932 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.400 14.167 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.226 13.102 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.369 15.206 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.827 15.024 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.964 16.055 -9.150 1.00 0.00 H new ATOM 178 N LEU A 15 6.313 9.801 -5.156 1.00 0.00 N ATOM 179 CA LEU A 15 5.603 8.534 -5.201 1.00 0.00 C ATOM 180 C LEU A 15 4.195 8.762 -5.753 1.00 0.00 C ATOM 181 O LEU A 15 3.432 9.559 -5.209 1.00 0.00 O ATOM 182 CB LEU A 15 5.623 7.859 -3.828 1.00 0.00 C ATOM 183 CG LEU A 15 4.543 6.804 -3.583 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.513 5.777 -4.717 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.723 6.142 -2.215 1.00 0.00 C ATOM 0 H LEU A 15 5.753 10.592 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 15 6.103 7.842 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.598 7.391 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.528 8.631 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 15 3.574 7.303 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.737 5.038 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.301 6.282 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.480 5.278 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.942 5.396 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.699 5.659 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.656 6.898 -1.433 1.00 0.00 H new ATOM 197 N HIS A 16 3.892 8.048 -6.828 1.00 0.00 N ATOM 198 CA HIS A 16 2.589 8.163 -7.460 1.00 0.00 C ATOM 199 C HIS A 16 1.644 7.106 -6.883 1.00 0.00 C ATOM 200 O HIS A 16 2.056 5.978 -6.619 1.00 0.00 O ATOM 201 CB HIS A 16 2.714 8.079 -8.982 1.00 0.00 C ATOM 202 CG HIS A 16 1.510 8.603 -9.727 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.819 9.772 -9.595 1.00 0.00 N flip ATOM 204 CD2 HIS A 16 0.888 7.894 -10.740 1.00 0.00 C flip ATOM 205 CE1 HIS A 16 -0.169 9.778 -10.481 1.00 0.00 C flip ATOM 206 NE2 HIS A 16 -0.129 8.614 -11.191 1.00 0.00 N flip ATOM 0 H HIS A 16 4.527 7.388 -7.277 1.00 0.00 H new ATOM 0 HA HIS A 16 2.160 9.141 -7.243 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.595 8.640 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.880 7.040 -9.266 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.182 6.920 -11.101 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.887 10.574 -10.617 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.769 8.345 -11.938 1.00 0.00 H new ATOM 214 N TYR A 17 0.395 7.510 -6.705 1.00 0.00 N ATOM 215 CA TYR A 17 -0.612 6.612 -6.165 1.00 0.00 C ATOM 216 C TYR A 17 -2.021 7.094 -6.515 1.00 0.00 C ATOM 217 O TYR A 17 -2.295 8.293 -6.491 1.00 0.00 O ATOM 218 CB TYR A 17 -0.437 6.647 -4.646 1.00 0.00 C ATOM 219 CG TYR A 17 -0.280 8.056 -4.070 1.00 0.00 C ATOM 220 CD1 TYR A 17 0.974 8.619 -3.954 1.00 0.00 C ATOM 221 CD2 TYR A 17 -1.394 8.764 -3.666 1.00 0.00 C ATOM 222 CE1 TYR A 17 1.121 9.945 -3.412 1.00 0.00 C ATOM 223 CE2 TYR A 17 -1.248 10.089 -3.123 1.00 0.00 C ATOM 224 CZ TYR A 17 0.003 10.615 -3.023 1.00 0.00 C ATOM 225 OH TYR A 17 0.141 11.867 -2.511 1.00 0.00 O ATOM 0 H TYR A 17 0.057 8.447 -6.925 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.493 5.610 -6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.299 6.169 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.439 6.056 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.846 8.065 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.376 8.323 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.097 10.397 -3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.112 10.653 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.741 12.224 -2.277 1.00 0.00 H new ATOM 235 N CYS A 18 -2.878 6.135 -6.832 1.00 0.00 N ATOM 236 CA CYS A 18 -4.253 6.446 -7.186 1.00 0.00 C ATOM 237 C CYS A 18 -5.171 5.853 -6.116 1.00 0.00 C ATOM 238 O CYS A 18 -5.252 4.634 -5.969 1.00 0.00 O ATOM 239 CB CYS A 18 -4.605 5.938 -8.586 1.00 0.00 C ATOM 240 SG CYS A 18 -6.375 6.244 -8.936 1.00 0.00 S ATOM 0 H CYS A 18 -2.647 5.142 -6.851 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.387 7.527 -7.219 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.987 6.440 -9.330 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.390 4.872 -8.660 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.103 5.674 -8.022 1.00 0.00 H new ATOM 246 N LEU A 19 -5.840 6.742 -5.397 1.00 0.00 N ATOM 247 CA LEU A 19 -6.750 6.322 -4.345 1.00 0.00 C ATOM 248 C LEU A 19 -8.144 6.108 -4.937 1.00 0.00 C ATOM 249 O LEU A 19 -8.624 6.930 -5.716 1.00 0.00 O ATOM 250 CB LEU A 19 -6.721 7.316 -3.183 1.00 0.00 C ATOM 251 CG LEU A 19 -5.334 7.767 -2.719 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.414 6.565 -2.493 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.729 8.775 -3.699 1.00 0.00 C ATOM 0 H LEU A 19 -5.770 7.752 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.432 5.368 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.290 8.199 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.238 6.868 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.443 8.275 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.435 6.913 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.844 5.916 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.307 6.009 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.744 9.079 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.636 8.315 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.376 9.650 -3.767 1.00 0.00 H new ATOM 265 N ASP A 20 -8.756 5.000 -4.545 1.00 0.00 N ATOM 266 CA ASP A 20 -10.085 4.669 -5.027 1.00 0.00 C ATOM 267 C ASP A 20 -10.726 3.649 -4.084 1.00 0.00 C ATOM 268 O ASP A 20 -10.283 2.503 -4.009 1.00 0.00 O ATOM 269 CB ASP A 20 -10.025 4.048 -6.424 1.00 0.00 C ATOM 270 CG ASP A 20 -9.997 5.052 -7.578 1.00 0.00 C ATOM 271 OD1 ASP A 20 -8.898 5.591 -7.835 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.074 5.260 -8.177 1.00 0.00 O ATOM 0 H ASP A 20 -8.355 4.320 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.668 5.589 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.137 3.419 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.888 3.394 -6.552 1.00 0.00 H new ATOM 277 N TYR A 21 -11.757 4.101 -3.387 1.00 0.00 N ATOM 278 CA TYR A 21 -12.463 3.242 -2.451 1.00 0.00 C ATOM 279 C TYR A 21 -13.746 2.689 -3.075 1.00 0.00 C ATOM 280 O TYR A 21 -14.689 3.436 -3.331 1.00 0.00 O ATOM 281 CB TYR A 21 -12.831 4.129 -1.260 1.00 0.00 C ATOM 282 CG TYR A 21 -13.424 3.365 -0.075 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.591 2.709 0.810 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.791 3.331 0.111 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.149 1.989 1.925 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.349 2.611 1.226 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.501 1.976 2.078 1.00 0.00 C ATOM 288 OH TYR A 21 -15.027 1.296 3.132 1.00 0.00 O ATOM 0 H TYR A 21 -12.121 5.052 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.841 2.394 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.940 4.661 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.547 4.882 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.521 2.736 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.443 3.845 -0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.509 1.471 2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.417 2.576 1.382 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.525 0.465 3.268 1.00 0.00 H new ATOM 298 N ASP A 22 -13.740 1.383 -3.302 1.00 0.00 N ATOM 299 CA ASP A 22 -14.891 0.721 -3.891 1.00 0.00 C ATOM 300 C ASP A 22 -15.849 0.287 -2.779 1.00 0.00 C ATOM 301 O ASP A 22 -15.780 -0.844 -2.302 1.00 0.00 O ATOM 302 CB ASP A 22 -14.470 -0.529 -4.667 1.00 0.00 C ATOM 303 CG ASP A 22 -15.345 -0.865 -5.876 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.490 -0.364 -5.905 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.850 -1.615 -6.744 1.00 0.00 O ATOM 0 H ASP A 22 -12.956 0.766 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.372 1.423 -4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.442 -0.399 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.475 -1.380 -3.986 1.00 0.00 H new ATOM 310 N CYS A 23 -16.720 1.210 -2.400 1.00 0.00 N ATOM 311 CA CYS A 23 -17.691 0.937 -1.353 1.00 0.00 C ATOM 312 C CYS A 23 -18.239 -0.475 -1.563 1.00 0.00 C ATOM 313 O CYS A 23 -18.541 -1.177 -0.599 1.00 0.00 O ATOM 314 CB CYS A 23 -18.806 1.985 -1.329 1.00 0.00 C ATOM 315 SG CYS A 23 -19.978 1.682 -2.701 1.00 0.00 S ATOM 0 H CYS A 23 -16.774 2.147 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.206 0.996 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.332 1.947 -0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.379 2.984 -1.418 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.922 2.575 -2.671 1.00 0.00 H new ATOM 321 N GLN A 24 -18.352 -0.850 -2.829 1.00 0.00 N ATOM 322 CA GLN A 24 -18.859 -2.167 -3.177 1.00 0.00 C ATOM 323 C GLN A 24 -17.980 -3.255 -2.557 1.00 0.00 C ATOM 324 O GLN A 24 -18.487 -4.186 -1.934 1.00 0.00 O ATOM 325 CB GLN A 24 -18.950 -2.335 -4.695 1.00 0.00 C ATOM 326 CG GLN A 24 -19.525 -1.078 -5.353 1.00 0.00 C ATOM 327 CD GLN A 24 -20.744 -1.418 -6.212 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.882 -1.340 -5.780 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.443 -1.798 -7.451 1.00 0.00 N ATOM 0 H GLN A 24 -18.101 -0.265 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.866 -2.266 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.960 -2.542 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.578 -3.194 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.806 -0.357 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.761 -0.604 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.468 -1.842 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -21.187 -2.046 -8.103 1.00 0.00 H new ATOM 338 N LYS A 25 -16.678 -3.101 -2.749 1.00 0.00 N ATOM 339 CA LYS A 25 -15.725 -4.059 -2.217 1.00 0.00 C ATOM 340 C LYS A 25 -15.256 -3.592 -0.837 1.00 0.00 C ATOM 341 O LYS A 25 -14.508 -4.296 -0.160 1.00 0.00 O ATOM 342 CB LYS A 25 -14.583 -4.287 -3.209 1.00 0.00 C ATOM 343 CG LYS A 25 -15.060 -4.087 -4.649 1.00 0.00 C ATOM 344 CD LYS A 25 -14.060 -4.677 -5.645 1.00 0.00 C ATOM 345 CE LYS A 25 -14.760 -5.603 -6.642 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.838 -6.667 -7.097 1.00 0.00 N ATOM 0 H LYS A 25 -16.261 -2.327 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.198 -5.032 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.766 -3.598 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.189 -5.296 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.033 -4.559 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.192 -3.023 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.558 -3.872 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.290 -5.231 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.639 -6.050 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.110 -5.027 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.329 -7.286 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.012 -6.236 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.524 -7.227 -6.279 1.00 0.00 H new ATOM 360 N ALA A 26 -15.715 -2.407 -0.461 1.00 0.00 N ATOM 361 CA ALA A 26 -15.353 -1.838 0.826 1.00 0.00 C ATOM 362 C ALA A 26 -13.853 -2.033 1.061 1.00 0.00 C ATOM 363 O ALA A 26 -13.432 -2.361 2.169 1.00 0.00 O ATOM 364 CB ALA A 26 -16.203 -2.479 1.925 1.00 0.00 C ATOM 0 H ALA A 26 -16.334 -1.825 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.553 -0.767 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.931 -2.052 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.258 -2.288 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.026 -3.554 1.941 1.00 0.00 H new ATOM 370 N GLU A 27 -13.089 -1.823 -0.001 1.00 0.00 N ATOM 371 CA GLU A 27 -11.645 -1.971 0.076 1.00 0.00 C ATOM 372 C GLU A 27 -10.953 -0.791 -0.611 1.00 0.00 C ATOM 373 O GLU A 27 -11.291 -0.440 -1.740 1.00 0.00 O ATOM 374 CB GLU A 27 -11.197 -3.300 -0.536 1.00 0.00 C ATOM 375 CG GLU A 27 -11.323 -4.440 0.477 1.00 0.00 C ATOM 376 CD GLU A 27 -9.951 -4.852 1.013 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.035 -4.004 0.940 1.00 0.00 O ATOM 378 OE2 GLU A 27 -9.847 -6.006 1.482 1.00 0.00 O ATOM 0 H GLU A 27 -13.442 -1.552 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.355 -1.976 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.802 -3.522 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.163 -3.220 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.961 -4.128 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.806 -5.297 0.007 1.00 0.00 H new ATOM 385 N LEU A 28 -9.997 -0.212 0.101 1.00 0.00 N ATOM 386 CA LEU A 28 -9.255 0.921 -0.425 1.00 0.00 C ATOM 387 C LEU A 28 -8.226 0.423 -1.442 1.00 0.00 C ATOM 388 O LEU A 28 -7.662 -0.659 -1.281 1.00 0.00 O ATOM 389 CB LEU A 28 -8.647 1.739 0.715 1.00 0.00 C ATOM 390 CG LEU A 28 -8.027 3.081 0.321 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.710 2.878 -0.430 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.018 3.929 -0.479 1.00 0.00 C ATOM 0 H LEU A 28 -9.719 -0.506 1.037 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.923 1.602 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.424 1.924 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.880 1.135 1.200 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.795 3.631 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.291 3.848 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.007 2.342 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.893 2.299 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.552 4.877 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.303 3.396 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.905 4.118 0.125 1.00 0.00 H new ATOM 404 N PHE A 29 -8.012 1.235 -2.466 1.00 0.00 N ATOM 405 CA PHE A 29 -7.060 0.891 -3.509 1.00 0.00 C ATOM 406 C PHE A 29 -6.045 2.016 -3.719 1.00 0.00 C ATOM 407 O PHE A 29 -6.393 3.194 -3.638 1.00 0.00 O ATOM 408 CB PHE A 29 -7.861 0.695 -4.798 1.00 0.00 C ATOM 409 CG PHE A 29 -8.667 -0.604 -4.839 1.00 0.00 C ATOM 410 CD1 PHE A 29 -8.080 -1.756 -5.262 1.00 0.00 C ATOM 411 CD2 PHE A 29 -9.971 -0.608 -4.452 1.00 0.00 C ATOM 412 CE1 PHE A 29 -8.828 -2.962 -5.299 1.00 0.00 C ATOM 413 CE2 PHE A 29 -10.719 -1.814 -4.490 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.132 -2.966 -4.913 1.00 0.00 C ATOM 0 H PHE A 29 -8.482 2.131 -2.596 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.511 -0.008 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.542 1.537 -4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.176 0.712 -5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.045 -1.753 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.437 0.306 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.361 -3.877 -5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.754 -1.817 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.701 -3.883 -4.942 1.00 0.00 H new ATOM 424 N VAL A 30 -4.811 1.615 -3.983 1.00 0.00 N ATOM 425 CA VAL A 30 -3.743 2.575 -4.205 1.00 0.00 C ATOM 426 C VAL A 30 -2.934 2.157 -5.434 1.00 0.00 C ATOM 427 O VAL A 30 -1.789 1.725 -5.311 1.00 0.00 O ATOM 428 CB VAL A 30 -2.888 2.707 -2.943 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.691 3.630 -3.186 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.727 3.197 -1.761 1.00 0.00 C ATOM 0 H VAL A 30 -4.526 0.638 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.154 3.564 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.504 1.718 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.100 3.707 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.073 3.222 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.047 4.620 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.095 3.282 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.154 4.172 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.530 2.487 -1.566 1.00 0.00 H new ATOM 440 N THR A 31 -3.561 2.299 -6.593 1.00 0.00 N ATOM 441 CA THR A 31 -2.914 1.941 -7.843 1.00 0.00 C ATOM 442 C THR A 31 -2.057 3.103 -8.352 1.00 0.00 C ATOM 443 O THR A 31 -1.755 4.030 -7.602 1.00 0.00 O ATOM 444 CB THR A 31 -4.000 1.510 -8.831 1.00 0.00 C ATOM 445 OG1 THR A 31 -4.896 2.617 -8.868 1.00 0.00 O ATOM 446 CG2 THR A 31 -4.853 0.358 -8.296 1.00 0.00 C ATOM 0 H THR A 31 -4.511 2.657 -6.692 1.00 0.00 H new ATOM 0 HA THR A 31 -2.227 1.106 -7.707 1.00 0.00 H new ATOM 0 HB THR A 31 -3.537 1.213 -9.772 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.631 2.423 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.608 0.091 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.217 -0.505 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.343 0.666 -7.372 1.00 0.00 H new ATOM 454 N ARG A 32 -1.691 3.014 -9.622 1.00 0.00 N ATOM 455 CA ARG A 32 -0.875 4.045 -10.239 1.00 0.00 C ATOM 456 C ARG A 32 0.379 4.303 -9.401 1.00 0.00 C ATOM 457 O ARG A 32 0.567 5.401 -8.880 1.00 0.00 O ATOM 458 CB ARG A 32 -1.658 5.352 -10.387 1.00 0.00 C ATOM 459 CG ARG A 32 -2.837 5.178 -11.347 1.00 0.00 C ATOM 460 CD ARG A 32 -2.360 5.134 -12.800 1.00 0.00 C ATOM 461 NE ARG A 32 -3.318 5.852 -13.669 1.00 0.00 N ATOM 462 CZ ARG A 32 -3.255 5.864 -15.007 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.280 5.197 -15.638 1.00 0.00 N ATOM 464 NH2 ARG A 32 -4.168 6.544 -15.715 1.00 0.00 N ATOM 0 H ARG A 32 -1.945 2.244 -10.241 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.588 3.692 -11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.023 5.674 -9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.997 6.137 -10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.372 4.259 -11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.541 6.000 -11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.372 5.588 -12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.263 4.099 -13.128 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.074 6.370 -13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.585 4.680 -15.100 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.232 5.206 -16.657 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.911 7.052 -15.235 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.120 6.553 -16.734 1.00 0.00 H new ATOM 478 N LEU A 33 1.205 3.272 -9.297 1.00 0.00 N ATOM 479 CA LEU A 33 2.435 3.372 -8.531 1.00 0.00 C ATOM 480 C LEU A 33 3.569 3.825 -9.454 1.00 0.00 C ATOM 481 O LEU A 33 3.885 3.151 -10.432 1.00 0.00 O ATOM 482 CB LEU A 33 2.722 2.057 -7.804 1.00 0.00 C ATOM 483 CG LEU A 33 2.047 1.883 -6.442 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.112 3.177 -5.628 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.612 1.378 -6.602 1.00 0.00 C ATOM 0 H LEU A 33 1.046 2.363 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 33 2.338 4.126 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.413 1.234 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.800 1.968 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 33 2.595 1.124 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.625 3.026 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.154 3.454 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.603 3.974 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.155 1.263 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.037 2.095 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.620 0.415 -7.113 1.00 0.00 H new ATOM 497 N GLU A 34 4.150 4.965 -9.108 1.00 0.00 N ATOM 498 CA GLU A 34 5.242 5.516 -9.893 1.00 0.00 C ATOM 499 C GLU A 34 6.184 6.324 -8.997 1.00 0.00 C ATOM 500 O GLU A 34 5.975 7.518 -8.788 1.00 0.00 O ATOM 501 CB GLU A 34 4.712 6.372 -11.045 1.00 0.00 C ATOM 502 CG GLU A 34 3.638 5.622 -11.836 1.00 0.00 C ATOM 503 CD GLU A 34 3.094 6.485 -12.976 1.00 0.00 C ATOM 504 OE1 GLU A 34 3.841 7.389 -13.410 1.00 0.00 O ATOM 505 OE2 GLU A 34 1.944 6.222 -13.389 1.00 0.00 O ATOM 0 H GLU A 34 3.885 5.522 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 34 5.805 4.690 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.298 7.300 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.533 6.645 -11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.056 4.700 -12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.823 5.337 -11.170 1.00 0.00 H new ATOM 512 N ALA A 35 7.201 5.640 -8.493 1.00 0.00 N ATOM 513 CA ALA A 35 8.175 6.280 -7.625 1.00 0.00 C ATOM 514 C ALA A 35 9.150 7.096 -8.475 1.00 0.00 C ATOM 515 O ALA A 35 9.607 6.633 -9.520 1.00 0.00 O ATOM 516 CB ALA A 35 8.884 5.217 -6.783 1.00 0.00 C ATOM 0 H ALA A 35 7.371 4.650 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 35 7.683 6.967 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.615 5.697 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.151 4.685 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.392 4.511 -7.440 1.00 0.00 H new ATOM 522 N VAL A 36 9.441 8.297 -7.997 1.00 0.00 N ATOM 523 CA VAL A 36 10.354 9.182 -8.700 1.00 0.00 C ATOM 524 C VAL A 36 11.520 9.541 -7.777 1.00 0.00 C ATOM 525 O VAL A 36 11.480 10.558 -7.086 1.00 0.00 O ATOM 526 CB VAL A 36 9.599 10.410 -9.215 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.543 11.601 -9.386 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.870 10.096 -10.523 1.00 0.00 C ATOM 0 H VAL A 36 9.060 8.678 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 36 10.773 8.684 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 36 8.850 10.680 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.982 12.460 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.996 11.847 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.325 11.346 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.342 10.985 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.594 9.789 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.155 9.290 -10.357 1.00 0.00 H new ATOM 631 N ASP A 45 15.722 -4.040 -4.311 1.00 0.00 N ATOM 632 CA ASP A 45 14.385 -4.169 -4.864 1.00 0.00 C ATOM 633 C ASP A 45 13.422 -3.284 -4.070 1.00 0.00 C ATOM 634 O ASP A 45 12.918 -3.691 -3.024 1.00 0.00 O ATOM 635 CB ASP A 45 13.887 -5.613 -4.769 1.00 0.00 C ATOM 636 CG ASP A 45 14.161 -6.473 -6.004 1.00 0.00 C ATOM 637 OD1 ASP A 45 15.037 -6.066 -6.797 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.487 -7.519 -6.128 1.00 0.00 O ATOM 0 HA ASP A 45 14.422 -3.868 -5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.353 -6.086 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.813 -5.600 -4.585 1.00 0.00 H new ATOM 643 N CYS A 46 13.195 -2.090 -4.597 1.00 0.00 N ATOM 644 CA CYS A 46 12.301 -1.144 -3.951 1.00 0.00 C ATOM 645 C CYS A 46 10.862 -1.525 -4.302 1.00 0.00 C ATOM 646 O CYS A 46 10.608 -2.092 -5.364 1.00 0.00 O ATOM 647 CB CYS A 46 12.622 0.299 -4.347 1.00 0.00 C ATOM 648 SG CYS A 46 12.623 0.461 -6.170 1.00 0.00 S ATOM 0 H CYS A 46 13.615 -1.756 -5.464 1.00 0.00 H new ATOM 0 HA CYS A 46 12.435 -1.194 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.886 0.976 -3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.594 0.587 -3.947 1.00 0.00 H new ATOM 0 HG CYS A 46 13.078 1.633 -6.501 1.00 0.00 H new ATOM 654 N TYR A 47 9.958 -1.200 -3.389 1.00 0.00 N ATOM 655 CA TYR A 47 8.551 -1.502 -3.589 1.00 0.00 C ATOM 656 C TYR A 47 7.665 -0.541 -2.793 1.00 0.00 C ATOM 657 O TYR A 47 8.119 0.070 -1.827 1.00 0.00 O ATOM 658 CB TYR A 47 8.345 -2.923 -3.061 1.00 0.00 C ATOM 659 CG TYR A 47 8.751 -3.107 -1.597 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.053 -3.436 -1.278 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.815 -2.945 -0.596 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.435 -3.609 0.100 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.197 -3.119 0.782 1.00 0.00 C ATOM 664 CZ TYR A 47 9.488 -3.442 1.061 1.00 0.00 C ATOM 665 OH TYR A 47 9.849 -3.606 2.363 1.00 0.00 O ATOM 0 H TYR A 47 10.173 -0.731 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 47 8.284 -1.404 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.295 -3.193 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.919 -3.615 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.785 -3.564 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.796 -2.688 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.450 -3.865 0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.475 -2.996 1.575 1.00 0.00 H new ATOM 0 HH TYR A 47 9.075 -3.439 2.941 1.00 0.00 H new ATOM 675 N VAL A 48 6.418 -0.439 -3.228 1.00 0.00 N ATOM 676 CA VAL A 48 5.465 0.437 -2.568 1.00 0.00 C ATOM 677 C VAL A 48 4.718 -0.350 -1.489 1.00 0.00 C ATOM 678 O VAL A 48 4.493 -1.550 -1.636 1.00 0.00 O ATOM 679 CB VAL A 48 4.531 1.069 -3.602 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.772 2.255 -3.004 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.303 1.487 -4.855 1.00 0.00 C ATOM 0 H VAL A 48 6.045 -0.948 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 48 5.982 1.259 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 48 3.798 0.317 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.116 2.685 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.176 1.916 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.483 3.010 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.616 1.933 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.068 2.214 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.776 0.611 -5.300 1.00 0.00 H new ATOM 691 N GLN A 49 4.354 0.358 -0.430 1.00 0.00 N ATOM 692 CA GLN A 49 3.637 -0.259 0.672 1.00 0.00 C ATOM 693 C GLN A 49 2.587 0.705 1.229 1.00 0.00 C ATOM 694 O GLN A 49 2.919 1.808 1.661 1.00 0.00 O ATOM 695 CB GLN A 49 4.602 -0.711 1.770 1.00 0.00 C ATOM 696 CG GLN A 49 3.923 -1.693 2.727 1.00 0.00 C ATOM 697 CD GLN A 49 4.685 -1.782 4.051 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.866 -2.085 4.099 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.945 -1.503 5.121 1.00 0.00 N ATOM 0 H GLN A 49 4.542 1.353 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 49 3.126 -1.145 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.476 -1.182 1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.958 0.156 2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.898 -1.374 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.871 -2.679 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.961 -1.256 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.361 -1.536 6.052 1.00 0.00 H new ATOM 708 N GLY A 50 1.342 0.254 1.200 1.00 0.00 N ATOM 709 CA GLY A 50 0.241 1.063 1.696 1.00 0.00 C ATOM 710 C GLY A 50 -0.289 0.513 3.021 1.00 0.00 C ATOM 711 O GLY A 50 -0.664 -0.655 3.107 1.00 0.00 O ATOM 0 H GLY A 50 1.071 -0.661 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.574 2.092 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.562 1.082 0.959 1.00 0.00 H new ATOM 715 N SER A 51 -0.305 1.382 4.022 1.00 0.00 N ATOM 716 CA SER A 51 -0.783 0.998 5.339 1.00 0.00 C ATOM 717 C SER A 51 -2.062 1.767 5.676 1.00 0.00 C ATOM 718 O SER A 51 -2.121 2.984 5.507 1.00 0.00 O ATOM 719 CB SER A 51 0.284 1.247 6.407 1.00 0.00 C ATOM 720 OG SER A 51 0.984 2.468 6.187 1.00 0.00 O ATOM 0 H SER A 51 0.006 2.351 3.947 1.00 0.00 H new ATOM 0 HA SER A 51 -1.002 -0.070 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.186 1.270 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.992 0.419 6.412 1.00 0.00 H new ATOM 0 HG SER A 51 0.555 2.964 5.459 1.00 0.00 H new ATOM 726 N VAL A 52 -3.054 1.026 6.147 1.00 0.00 N ATOM 727 CA VAL A 52 -4.328 1.624 6.510 1.00 0.00 C ATOM 728 C VAL A 52 -4.643 1.295 7.970 1.00 0.00 C ATOM 729 O VAL A 52 -4.335 0.203 8.445 1.00 0.00 O ATOM 730 CB VAL A 52 -5.418 1.157 5.543 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.718 0.849 6.290 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.653 2.192 4.440 1.00 0.00 C ATOM 0 H VAL A 52 -3.002 0.017 6.286 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.279 2.710 6.425 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.075 0.236 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.476 0.519 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.539 0.061 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.066 1.747 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.432 1.835 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.964 3.136 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.730 2.343 3.880 1.00 0.00 H new ATOM 742 N ALA A 53 -5.254 2.260 8.642 1.00 0.00 N ATOM 743 CA ALA A 53 -5.614 2.087 10.039 1.00 0.00 C ATOM 744 C ALA A 53 -7.113 2.340 10.209 1.00 0.00 C ATOM 745 O ALA A 53 -7.585 3.457 10.004 1.00 0.00 O ATOM 746 CB ALA A 53 -4.764 3.019 10.905 1.00 0.00 C ATOM 0 H ALA A 53 -5.509 3.164 8.245 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.412 1.066 10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.034 2.889 11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.709 2.780 10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.942 4.053 10.610 1.00 0.00 H new ATOM 752 N ASN A 54 -7.820 1.284 10.583 1.00 0.00 N ATOM 753 CA ASN A 54 -9.256 1.377 10.783 1.00 0.00 C ATOM 754 C ASN A 54 -9.577 1.151 12.262 1.00 0.00 C ATOM 755 O ASN A 54 -8.804 0.514 12.978 1.00 0.00 O ATOM 756 CB ASN A 54 -9.996 0.313 9.971 1.00 0.00 C ATOM 757 CG ASN A 54 -9.062 -0.840 9.599 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.709 -1.675 10.415 1.00 0.00 O ATOM 759 ND2 ASN A 54 -8.684 -0.840 8.324 1.00 0.00 N ATOM 0 H ASN A 54 -7.425 0.359 10.753 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.577 2.367 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.839 -0.068 10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.405 0.761 9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.061 -1.569 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.017 -0.111 7.693 1.00 0.00 H new ATOM 766 N ARG A 55 -10.717 1.684 12.677 1.00 0.00 N ATOM 767 CA ARG A 55 -11.148 1.548 14.057 1.00 0.00 C ATOM 768 C ARG A 55 -11.053 0.087 14.502 1.00 0.00 C ATOM 769 O ARG A 55 -10.955 -0.198 15.694 1.00 0.00 O ATOM 770 CB ARG A 55 -12.588 2.035 14.235 1.00 0.00 C ATOM 771 CG ARG A 55 -12.644 3.253 15.159 1.00 0.00 C ATOM 772 CD ARG A 55 -13.986 3.978 15.029 1.00 0.00 C ATOM 773 NE ARG A 55 -14.488 4.357 16.369 1.00 0.00 N ATOM 774 CZ ARG A 55 -13.939 5.309 17.135 1.00 0.00 C ATOM 775 NH1 ARG A 55 -12.867 5.985 16.699 1.00 0.00 N ATOM 776 NH2 ARG A 55 -14.461 5.586 18.338 1.00 0.00 N ATOM 0 H ARG A 55 -11.355 2.211 12.081 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.490 2.162 14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.012 2.291 13.264 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.199 1.232 14.648 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.495 2.938 16.192 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.832 3.937 14.914 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.870 4.868 14.410 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.710 3.334 14.529 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.303 3.862 16.732 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.469 5.775 15.784 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.449 6.710 17.282 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.277 5.072 18.671 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.043 6.311 18.921 1.00 0.00 H new ATOM 790 N THR A 56 -11.085 -0.801 13.518 1.00 0.00 N ATOM 791 CA THR A 56 -11.003 -2.225 13.793 1.00 0.00 C ATOM 792 C THR A 56 -9.549 -2.642 14.019 1.00 0.00 C ATOM 793 O THR A 56 -9.275 -3.556 14.796 1.00 0.00 O ATOM 794 CB THR A 56 -11.676 -2.969 12.638 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.930 -2.574 11.490 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.091 -2.457 12.357 1.00 0.00 C ATOM 0 H THR A 56 -11.167 -0.561 12.530 1.00 0.00 H new ATOM 0 HA THR A 56 -11.528 -2.481 14.713 1.00 0.00 H new ATOM 0 HB THR A 56 -11.714 -4.034 12.865 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.298 -3.012 10.694 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.523 -3.018 11.529 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.708 -2.588 13.246 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.050 -1.399 12.096 1.00 0.00 H new ATOM 804 N GLY A 57 -8.654 -1.953 13.327 1.00 0.00 N ATOM 805 CA GLY A 57 -7.235 -2.240 13.442 1.00 0.00 C ATOM 806 C GLY A 57 -6.437 -1.505 12.363 1.00 0.00 C ATOM 807 O GLY A 57 -6.494 -0.280 12.270 1.00 0.00 O ATOM 0 H GLY A 57 -8.885 -1.196 12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.879 -1.943 14.428 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.069 -3.314 13.354 1.00 0.00 H new ATOM 811 N SER A 58 -5.712 -2.284 11.574 1.00 0.00 N ATOM 812 CA SER A 58 -4.904 -1.723 10.505 1.00 0.00 C ATOM 813 C SER A 58 -4.591 -2.800 9.464 1.00 0.00 C ATOM 814 O SER A 58 -4.772 -3.989 9.723 1.00 0.00 O ATOM 815 CB SER A 58 -3.607 -1.122 11.052 1.00 0.00 C ATOM 816 OG SER A 58 -2.996 -1.965 12.025 1.00 0.00 O ATOM 0 H SER A 58 -5.667 -3.300 11.654 1.00 0.00 H new ATOM 0 HA SER A 58 -5.473 -0.923 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.911 -0.953 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.817 -0.149 11.496 1.00 0.00 H new ATOM 0 HG SER A 58 -2.171 -1.547 12.348 1.00 0.00 H new ATOM 822 N VAL A 59 -4.128 -2.345 8.310 1.00 0.00 N ATOM 823 CA VAL A 59 -3.789 -3.255 7.229 1.00 0.00 C ATOM 824 C VAL A 59 -2.497 -2.784 6.557 1.00 0.00 C ATOM 825 O VAL A 59 -1.950 -1.743 6.918 1.00 0.00 O ATOM 826 CB VAL A 59 -4.962 -3.370 6.254 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.082 -4.231 6.842 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.484 -1.987 5.858 1.00 0.00 C ATOM 0 H VAL A 59 -3.979 -1.358 8.099 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.607 -4.257 7.617 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.600 -3.862 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.903 -4.296 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.701 -5.231 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.440 -3.780 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.318 -2.098 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.821 -1.457 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.686 -1.420 5.379 1.00 0.00 H new ATOM 838 N GLU A 60 -2.048 -3.572 5.592 1.00 0.00 N ATOM 839 CA GLU A 60 -0.831 -3.248 4.867 1.00 0.00 C ATOM 840 C GLU A 60 -0.783 -4.013 3.542 1.00 0.00 C ATOM 841 O GLU A 60 -1.023 -5.219 3.509 1.00 0.00 O ATOM 842 CB GLU A 60 0.408 -3.543 5.715 1.00 0.00 C ATOM 843 CG GLU A 60 0.520 -2.559 6.882 1.00 0.00 C ATOM 844 CD GLU A 60 1.938 -2.548 7.455 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.381 -3.631 7.896 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.548 -1.457 7.439 1.00 0.00 O ATOM 0 H GLU A 60 -2.505 -4.434 5.295 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.835 -2.180 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.357 -4.562 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.302 -3.480 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.252 -1.558 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.190 -2.833 7.663 1.00 0.00 H new ATOM 853 N ALA A 61 -0.471 -3.280 2.483 1.00 0.00 N ATOM 854 CA ALA A 61 -0.389 -3.874 1.160 1.00 0.00 C ATOM 855 C ALA A 61 0.879 -3.379 0.462 1.00 0.00 C ATOM 856 O ALA A 61 1.508 -2.423 0.913 1.00 0.00 O ATOM 857 CB ALA A 61 -1.657 -3.541 0.371 1.00 0.00 C ATOM 0 H ALA A 61 -0.272 -2.280 2.515 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.325 -4.960 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.595 -3.987 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.526 -3.939 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.754 -2.459 0.278 1.00 0.00 H new ATOM 863 N GLN A 62 1.217 -4.052 -0.629 1.00 0.00 N ATOM 864 CA GLN A 62 2.399 -3.693 -1.394 1.00 0.00 C ATOM 865 C GLN A 62 2.335 -4.312 -2.791 1.00 0.00 C ATOM 866 O GLN A 62 1.440 -5.104 -3.083 1.00 0.00 O ATOM 867 CB GLN A 62 3.675 -4.117 -0.664 1.00 0.00 C ATOM 868 CG GLN A 62 3.575 -5.567 -0.184 1.00 0.00 C ATOM 869 CD GLN A 62 4.301 -6.513 -1.142 1.00 0.00 C ATOM 870 OE1 GLN A 62 3.731 -7.040 -2.084 1.00 0.00 O ATOM 871 NE2 GLN A 62 5.585 -6.698 -0.851 1.00 0.00 N ATOM 0 H GLN A 62 0.693 -4.844 -1.001 1.00 0.00 H new ATOM 0 HA GLN A 62 2.424 -2.608 -1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.532 -4.008 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.847 -3.459 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.005 -5.654 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.527 -5.857 -0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.999 -6.226 -0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.156 -7.312 -1.431 1.00 0.00 H new ATOM 880 N THR A 63 3.296 -3.927 -3.619 1.00 0.00 N ATOM 881 CA THR A 63 3.360 -4.435 -4.979 1.00 0.00 C ATOM 882 C THR A 63 4.565 -5.363 -5.145 1.00 0.00 C ATOM 883 O THR A 63 5.322 -5.578 -4.201 1.00 0.00 O ATOM 884 CB THR A 63 3.379 -3.237 -5.930 1.00 0.00 C ATOM 885 OG1 THR A 63 4.440 -2.421 -5.440 1.00 0.00 O ATOM 886 CG2 THR A 63 2.136 -2.356 -5.788 1.00 0.00 C ATOM 0 H THR A 63 4.036 -3.269 -3.374 1.00 0.00 H new ATOM 0 HA THR A 63 2.487 -5.043 -5.217 1.00 0.00 H new ATOM 0 HB THR A 63 3.457 -3.592 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.082 -2.252 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.200 -1.521 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.246 -2.945 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.075 -1.974 -4.769 1.00 0.00 H new ATOM 894 N ALA A 64 4.704 -5.887 -6.354 1.00 0.00 N ATOM 895 CA ALA A 64 5.804 -6.787 -6.657 1.00 0.00 C ATOM 896 C ALA A 64 7.103 -5.984 -6.754 1.00 0.00 C ATOM 897 O ALA A 64 7.134 -4.918 -7.368 1.00 0.00 O ATOM 898 CB ALA A 64 5.497 -7.555 -7.944 1.00 0.00 C ATOM 0 H ALA A 64 4.073 -5.706 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 64 5.928 -7.521 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.322 -8.230 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.582 -8.132 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.368 -6.851 -8.766 1.00 0.00 H new ATOM 904 N LEU A 65 8.143 -6.525 -6.138 1.00 0.00 N ATOM 905 CA LEU A 65 9.441 -5.872 -6.147 1.00 0.00 C ATOM 906 C LEU A 65 9.784 -5.448 -7.576 1.00 0.00 C ATOM 907 O LEU A 65 9.305 -6.048 -8.537 1.00 0.00 O ATOM 908 CB LEU A 65 10.498 -6.771 -5.501 1.00 0.00 C ATOM 909 CG LEU A 65 10.496 -6.817 -3.972 1.00 0.00 C ATOM 910 CD1 LEU A 65 10.643 -5.414 -3.381 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.249 -7.532 -3.447 1.00 0.00 C ATOM 0 H LEU A 65 8.114 -7.408 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 65 9.415 -4.965 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.361 -7.786 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.481 -6.438 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 65 11.361 -7.396 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.639 -5.475 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.583 -4.975 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.813 -4.791 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.272 -7.551 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.357 -7.002 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.228 -8.553 -3.827 1.00 0.00 H new ATOM 923 N LYS A 66 10.612 -4.418 -7.672 1.00 0.00 N ATOM 924 CA LYS A 66 11.025 -3.907 -8.968 1.00 0.00 C ATOM 925 C LYS A 66 12.519 -3.579 -8.930 1.00 0.00 C ATOM 926 O LYS A 66 13.193 -3.855 -7.939 1.00 0.00 O ATOM 927 CB LYS A 66 10.146 -2.726 -9.383 1.00 0.00 C ATOM 928 CG LYS A 66 8.765 -3.203 -9.839 1.00 0.00 C ATOM 929 CD LYS A 66 8.696 -3.305 -11.364 1.00 0.00 C ATOM 930 CE LYS A 66 7.287 -3.680 -11.826 1.00 0.00 C ATOM 931 NZ LYS A 66 7.285 -5.021 -12.451 1.00 0.00 N ATOM 0 H LYS A 66 11.008 -3.923 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 66 10.885 -4.665 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.038 -2.037 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.629 -2.175 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.547 -4.175 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.001 -2.512 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.987 -2.354 -11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.408 -4.052 -11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.604 -3.668 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.923 -2.940 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.321 -5.259 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.921 -5.021 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.612 -5.726 -11.760 1.00 0.00 H new ATOM 945 N LYS A 67 12.991 -2.993 -10.020 1.00 0.00 N ATOM 946 CA LYS A 67 14.393 -2.623 -10.123 1.00 0.00 C ATOM 947 C LYS A 67 14.529 -1.108 -9.962 1.00 0.00 C ATOM 948 O LYS A 67 14.166 -0.349 -10.859 1.00 0.00 O ATOM 949 CB LYS A 67 14.994 -3.160 -11.424 1.00 0.00 C ATOM 950 CG LYS A 67 16.210 -2.334 -11.848 1.00 0.00 C ATOM 951 CD LYS A 67 17.342 -3.238 -12.341 1.00 0.00 C ATOM 952 CE LYS A 67 16.878 -4.107 -13.512 1.00 0.00 C ATOM 953 NZ LYS A 67 17.731 -5.311 -13.633 1.00 0.00 N ATOM 0 H LYS A 67 12.428 -2.765 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 67 14.969 -3.082 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.286 -4.202 -11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.242 -3.138 -12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.925 -1.639 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.558 -1.735 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.191 -2.628 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.686 -3.874 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.839 -4.403 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.917 -3.532 -14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.403 -5.890 -14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.717 -5.023 -13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.673 -5.867 -12.756 1.00 0.00 H new ATOM 967 N ARG A 68 15.054 -0.712 -8.812 1.00 0.00 N ATOM 968 CA ARG A 68 15.244 0.699 -8.521 1.00 0.00 C ATOM 969 C ARG A 68 15.743 1.435 -9.766 1.00 0.00 C ATOM 970 O ARG A 68 16.813 1.126 -10.287 1.00 0.00 O ATOM 971 CB ARG A 68 16.247 0.897 -7.384 1.00 0.00 C ATOM 972 CG ARG A 68 16.491 2.385 -7.121 1.00 0.00 C ATOM 973 CD ARG A 68 17.921 2.780 -7.495 1.00 0.00 C ATOM 974 NE ARG A 68 18.870 2.266 -6.484 1.00 0.00 N ATOM 975 CZ ARG A 68 20.199 2.233 -6.649 1.00 0.00 C ATOM 976 NH1 ARG A 68 20.745 2.685 -7.786 1.00 0.00 N ATOM 977 NH2 ARG A 68 20.984 1.748 -5.676 1.00 0.00 N ATOM 0 H ARG A 68 15.354 -1.344 -8.070 1.00 0.00 H new ATOM 0 HA ARG A 68 14.281 1.107 -8.215 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.874 0.420 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.189 0.409 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.783 2.981 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.312 2.606 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.172 2.380 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.001 3.865 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 68 18.489 1.914 -5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.149 3.054 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.757 2.660 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.569 1.404 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.996 1.723 -5.802 1.00 0.00 H new ATOM 991 N GLN A 69 14.943 2.394 -10.208 1.00 0.00 N ATOM 992 CA GLN A 69 15.290 3.177 -11.382 1.00 0.00 C ATOM 993 C GLN A 69 14.984 4.657 -11.143 1.00 0.00 C ATOM 994 O GLN A 69 14.536 5.035 -10.062 1.00 0.00 O ATOM 995 CB GLN A 69 14.558 2.659 -12.622 1.00 0.00 C ATOM 996 CG GLN A 69 15.008 1.239 -12.970 1.00 0.00 C ATOM 997 CD GLN A 69 15.898 1.235 -14.215 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.969 0.652 -14.243 1.00 0.00 O ATOM 999 NE2 GLN A 69 15.396 1.917 -15.241 1.00 0.00 N ATOM 0 H GLN A 69 14.055 2.647 -9.774 1.00 0.00 H new ATOM 0 HA GLN A 69 16.360 3.072 -11.561 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.482 2.671 -12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 69 14.750 3.322 -13.466 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.552 0.810 -12.129 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.135 0.609 -13.141 1.00 0.00 H new ATOM 0 HE21 GLN A 69 14.493 2.382 -15.151 1.00 0.00 H new ATOM 0 HE22 GLN A 69 15.914 1.974 -16.118 1.00 0.00 H new ATOM 1008 N LEU A 70 15.238 5.454 -12.170 1.00 0.00 N ATOM 1009 CA LEU A 70 14.996 6.884 -12.086 1.00 0.00 C ATOM 1010 C LEU A 70 13.489 7.145 -12.139 1.00 0.00 C ATOM 1011 O LEU A 70 13.043 8.274 -11.935 1.00 0.00 O ATOM 1012 CB LEU A 70 15.787 7.627 -13.164 1.00 0.00 C ATOM 1013 CG LEU A 70 17.263 7.247 -13.294 1.00 0.00 C ATOM 1014 CD1 LEU A 70 17.930 8.019 -14.434 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.998 7.439 -11.965 1.00 0.00 C ATOM 0 H LEU A 70 15.609 5.136 -13.065 1.00 0.00 H new ATOM 0 HA LEU A 70 15.355 7.276 -11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.302 7.456 -14.125 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.724 8.696 -12.961 1.00 0.00 H new ATOM 0 HG LEU A 70 17.322 6.188 -13.545 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.979 7.730 -14.504 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.426 7.789 -15.373 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.861 9.089 -14.238 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.045 7.162 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.932 8.483 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.541 6.809 -11.202 1.00 0.00 H new ATOM 1027 N HIS A 71 12.746 6.084 -12.414 1.00 0.00 N ATOM 1028 CA HIS A 71 11.299 6.184 -12.497 1.00 0.00 C ATOM 1029 C HIS A 71 10.695 4.787 -12.654 1.00 0.00 C ATOM 1030 O HIS A 71 10.518 4.305 -13.772 1.00 0.00 O ATOM 1031 CB HIS A 71 10.883 7.139 -13.618 1.00 0.00 C ATOM 1032 CG HIS A 71 9.395 7.378 -13.701 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.757 7.735 -14.876 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.425 7.306 -12.744 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.463 7.870 -14.626 1.00 0.00 C ATOM 1036 NE2 HIS A 71 7.260 7.604 -13.304 1.00 0.00 N ATOM 0 H HIS A 71 13.119 5.150 -12.582 1.00 0.00 H new ATOM 0 HA HIS A 71 10.908 6.609 -11.573 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.386 8.095 -13.472 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.230 6.738 -14.570 1.00 0.00 H new ATOM 0 HD1 HIS A 71 9.207 7.871 -15.781 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.580 7.050 -11.706 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.703 8.143 -15.343 1.00 0.00 H new ATOM 1044 N THR A 72 10.396 4.175 -11.518 1.00 0.00 N ATOM 1045 CA THR A 72 9.817 2.842 -11.515 1.00 0.00 C ATOM 1046 C THR A 72 8.290 2.925 -11.583 1.00 0.00 C ATOM 1047 O THR A 72 7.687 3.827 -11.004 1.00 0.00 O ATOM 1048 CB THR A 72 10.331 2.106 -10.277 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.738 2.017 -10.484 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.869 0.647 -10.229 1.00 0.00 C ATOM 0 H THR A 72 10.544 4.578 -10.593 1.00 0.00 H new ATOM 0 HA THR A 72 10.121 2.276 -12.396 1.00 0.00 H new ATOM 0 HB THR A 72 9.992 2.625 -9.380 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.152 1.554 -9.726 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.261 0.170 -9.331 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.780 0.611 -10.213 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.237 0.120 -11.109 1.00 0.00 H new ATOM 1058 N THR A 73 7.709 1.971 -12.296 1.00 0.00 N ATOM 1059 CA THR A 73 6.265 1.924 -12.447 1.00 0.00 C ATOM 1060 C THR A 73 5.759 0.489 -12.292 1.00 0.00 C ATOM 1061 O THR A 73 6.403 -0.454 -12.751 1.00 0.00 O ATOM 1062 CB THR A 73 5.911 2.550 -13.797 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.867 1.999 -14.698 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.187 4.055 -13.835 1.00 0.00 C ATOM 0 H THR A 73 8.212 1.225 -12.775 1.00 0.00 H new ATOM 0 HA THR A 73 5.767 2.497 -11.665 1.00 0.00 H new ATOM 0 HB THR A 73 4.859 2.368 -14.016 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.709 2.351 -15.599 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.919 4.450 -14.815 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.594 4.553 -13.068 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.246 4.236 -13.649 1.00 0.00 H new ATOM 1072 N TRP A 74 4.610 0.367 -11.643 1.00 0.00 N ATOM 1073 CA TRP A 74 4.010 -0.937 -11.421 1.00 0.00 C ATOM 1074 C TRP A 74 2.794 -1.061 -12.341 1.00 0.00 C ATOM 1075 O TRP A 74 2.450 -0.118 -13.052 1.00 0.00 O ATOM 1076 CB TRP A 74 3.665 -1.138 -9.944 1.00 0.00 C ATOM 1077 CG TRP A 74 4.885 -1.331 -9.041 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.382 -2.479 -8.560 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.747 -0.294 -8.527 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.497 -2.259 -7.776 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.726 -0.888 -7.756 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.702 1.099 -8.708 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.732 -0.164 -7.105 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.714 1.808 -8.051 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.707 1.225 -7.271 1.00 0.00 C ATOM 0 H TRP A 74 4.079 1.151 -11.264 1.00 0.00 H new ATOM 0 HA TRP A 74 4.714 -1.732 -11.666 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.099 -0.275 -9.593 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.014 -2.007 -9.848 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.963 -3.454 -8.761 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.051 -2.971 -7.299 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.946 1.584 -9.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.487 -0.652 -6.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.725 2.883 -8.157 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.455 1.842 -6.796 1.00 0.00 H new ATOM 1096 N GLU A 75 2.175 -2.232 -12.298 1.00 0.00 N ATOM 1097 CA GLU A 75 1.005 -2.491 -13.119 1.00 0.00 C ATOM 1098 C GLU A 75 -0.241 -2.623 -12.240 1.00 0.00 C ATOM 1099 O GLU A 75 -1.328 -2.201 -12.632 1.00 0.00 O ATOM 1100 CB GLU A 75 1.204 -3.740 -13.979 1.00 0.00 C ATOM 1101 CG GLU A 75 0.101 -3.862 -15.033 1.00 0.00 C ATOM 1102 CD GLU A 75 0.124 -5.242 -15.693 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.044 -6.231 -14.947 1.00 0.00 O ATOM 1104 OE2 GLU A 75 0.308 -5.277 -16.929 1.00 0.00 O ATOM 0 H GLU A 75 2.462 -3.012 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 75 0.863 -1.646 -13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.177 -3.697 -14.469 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.205 -4.626 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.871 -3.693 -14.569 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.231 -3.090 -15.791 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.041 -3.209 -11.069 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.134 -3.402 -10.132 1.00 0.00 C ATOM 1113 C GLU A 76 -1.082 -2.341 -9.030 1.00 0.00 C ATOM 1114 O GLU A 76 -0.184 -1.500 -9.015 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.106 -4.811 -9.538 1.00 0.00 C ATOM 1116 CG GLU A 76 0.086 -4.984 -8.594 1.00 0.00 C ATOM 1117 CD GLU A 76 0.068 -6.365 -7.935 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -0.787 -6.557 -7.043 1.00 0.00 O ATOM 1119 OE2 GLU A 76 0.909 -7.197 -8.338 1.00 0.00 O ATOM 0 H GLU A 76 0.862 -3.557 -10.748 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.074 -3.291 -10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.033 -5.000 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.049 -5.547 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.015 -4.854 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.062 -4.211 -7.826 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.056 -2.415 -8.135 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.132 -1.472 -7.032 1.00 0.00 C ATOM 1128 C GLY A 77 -2.367 -2.197 -5.706 1.00 0.00 C ATOM 1129 O GLY A 77 -2.561 -3.412 -5.684 1.00 0.00 O ATOM 0 H GLY A 77 -2.799 -3.113 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.208 -0.896 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.940 -0.762 -7.211 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.343 -1.422 -4.632 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.551 -1.975 -3.304 1.00 0.00 C ATOM 1135 C LEU A 78 -4.049 -2.180 -3.071 1.00 0.00 C ATOM 1136 O LEU A 78 -4.870 -1.778 -3.894 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.878 -1.098 -2.247 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.430 -0.695 -2.532 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.242 -0.136 -1.276 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.357 -1.864 -3.131 1.00 0.00 C ATOM 0 H LEU A 78 -2.183 -0.415 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.078 -2.954 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.470 -0.191 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.906 -1.626 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.438 0.103 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.270 0.143 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.303 0.743 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.239 -0.895 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.383 -1.551 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.358 -2.699 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.109 -2.176 -4.066 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.360 -2.804 -1.945 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.745 -3.067 -1.592 1.00 0.00 C ATOM 1154 C VAL A 79 -5.864 -3.201 -0.073 1.00 0.00 C ATOM 1155 O VAL A 79 -5.601 -4.267 0.482 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.251 -4.301 -2.343 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -7.717 -4.583 -2.008 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -6.053 -4.144 -3.852 1.00 0.00 C ATOM 0 H VAL A 79 -3.676 -3.136 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.381 -2.235 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.662 -5.158 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.052 -5.465 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.818 -4.760 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.327 -3.726 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.421 -5.034 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.604 -3.271 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.993 -4.014 -4.068 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.259 -2.105 0.557 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.416 -2.086 2.001 1.00 0.00 C ATOM 1170 C LEU A 80 -7.904 -2.158 2.350 1.00 0.00 C ATOM 1171 O LEU A 80 -8.703 -1.374 1.840 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.701 -0.875 2.603 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.180 -0.986 2.726 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.723 -2.438 2.577 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.480 -0.059 1.730 1.00 0.00 C ATOM 0 H LEU A 80 -6.475 -1.223 0.093 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.941 -2.960 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.933 -0.001 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.113 -0.691 3.595 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.893 -0.659 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.638 -2.489 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.182 -3.046 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.023 -2.815 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.400 -0.157 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.769 -0.331 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.772 0.973 1.926 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.240 -3.131 3.239 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.618 -3.315 3.662 1.00 0.00 C ATOM 1189 C PRO A 81 -10.041 -2.222 4.645 1.00 0.00 C ATOM 1190 O PRO A 81 -9.323 -1.929 5.600 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.660 -4.708 4.268 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.218 -5.069 4.585 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.320 -4.077 3.864 1.00 0.00 C ATOM 0 HA PRO A 81 -10.326 -3.232 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.273 -4.724 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.098 -5.424 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.043 -5.031 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.999 -6.087 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.647 -3.575 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.697 -4.574 3.120 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.204 -1.647 4.377 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.731 -0.592 5.226 1.00 0.00 C ATOM 1203 C LEU A 82 -13.248 -0.506 5.043 1.00 0.00 C ATOM 1204 O LEU A 82 -13.780 -0.951 4.027 1.00 0.00 O ATOM 1205 CB LEU A 82 -11.003 0.726 4.956 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.588 1.966 5.636 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.276 1.969 7.134 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.109 3.246 4.948 1.00 0.00 C ATOM 0 H LEU A 82 -11.796 -1.892 3.584 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.549 -0.821 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.966 0.617 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.991 0.898 3.880 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.673 1.932 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.703 2.861 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.706 1.081 7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.196 1.967 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.539 4.112 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.022 3.301 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.425 3.238 3.905 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.901 0.069 6.042 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.345 0.219 6.004 1.00 0.00 C ATOM 1222 C ALA A 83 -15.695 1.685 5.743 1.00 0.00 C ATOM 1223 O ALA A 83 -15.058 2.585 6.289 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.947 -0.300 7.311 1.00 0.00 C ATOM 0 H ALA A 83 -13.456 0.437 6.883 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.770 -0.371 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.031 -0.187 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.695 -1.353 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.545 0.270 8.148 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.705 1.880 4.908 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.147 3.222 4.568 1.00 0.00 C ATOM 1232 C GLU A 84 -17.477 4.010 5.838 1.00 0.00 C ATOM 1233 O GLU A 84 -17.532 5.238 5.814 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.347 3.181 3.621 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.523 4.518 2.900 1.00 0.00 C ATOM 1236 CD GLU A 84 -20.003 4.822 2.660 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.560 4.221 1.716 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.544 5.648 3.426 1.00 0.00 O ATOM 0 H GLU A 84 -17.230 1.131 4.457 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.334 3.730 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.210 2.385 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.251 2.945 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.076 5.316 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.994 4.494 1.947 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.688 3.270 6.917 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.011 3.884 8.193 1.00 0.00 C ATOM 1247 C GLU A 85 -16.730 4.264 8.939 1.00 0.00 C ATOM 1248 O GLU A 85 -16.782 4.946 9.962 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.885 2.958 9.041 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.027 1.996 9.865 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.804 0.721 10.203 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -18.952 -0.113 9.284 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -19.231 0.611 11.372 1.00 0.00 O ATOM 0 H GLU A 85 -17.641 2.251 6.933 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.581 4.794 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.512 3.552 9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.554 2.391 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.125 1.740 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.706 2.485 10.785 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.611 3.805 8.399 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.319 4.088 9.001 1.00 0.00 C ATOM 1262 C GLU A 86 -13.456 4.913 8.043 1.00 0.00 C ATOM 1263 O GLU A 86 -12.264 5.100 8.280 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.607 2.795 9.404 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.571 1.832 10.098 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.866 1.061 11.216 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.616 1.048 11.195 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.593 0.502 12.066 1.00 0.00 O ATOM 0 H GLU A 86 -15.572 3.239 7.551 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.482 4.672 9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.184 2.318 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.776 3.026 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.413 2.389 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.978 1.131 9.369 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.093 5.384 6.981 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.399 6.184 5.986 1.00 0.00 C ATOM 1277 C LEU A 87 -12.866 7.458 6.645 1.00 0.00 C ATOM 1278 O LEU A 87 -11.694 7.798 6.489 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.306 6.448 4.783 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.293 5.381 3.686 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.455 5.581 2.712 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.942 5.349 2.968 1.00 0.00 C ATOM 0 H LEU A 87 -15.082 5.227 6.788 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.538 5.642 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.329 6.559 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.019 7.401 4.339 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.431 4.407 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.422 4.809 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.399 5.514 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.374 6.563 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.960 4.582 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.749 6.320 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.154 5.122 3.686 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.775 8.146 7.387 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.408 9.375 8.069 1.00 0.00 C ATOM 1296 C PRO A 88 -12.565 9.081 9.312 1.00 0.00 C ATOM 1297 O PRO A 88 -11.994 9.992 9.909 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.729 10.054 8.394 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.789 8.969 8.299 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.171 7.773 7.594 1.00 0.00 C ATOM 0 HA PRO A 88 -12.781 10.025 7.458 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.708 10.493 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.935 10.864 7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.137 8.688 9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.657 9.331 7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.254 6.870 8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.671 7.569 6.647 1.00 0.00 H new ATOM 1308 N THR A 89 -12.515 7.805 9.665 1.00 0.00 N ATOM 1309 CA THR A 89 -11.752 7.379 10.826 1.00 0.00 C ATOM 1310 C THR A 89 -10.642 6.412 10.409 1.00 0.00 C ATOM 1311 O THR A 89 -10.265 5.526 11.176 1.00 0.00 O ATOM 1312 CB THR A 89 -12.728 6.782 11.841 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.106 5.533 11.267 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.040 7.566 11.923 1.00 0.00 C ATOM 0 H THR A 89 -12.990 7.052 9.167 1.00 0.00 H new ATOM 0 HA THR A 89 -11.246 8.222 11.297 1.00 0.00 H new ATOM 0 HB THR A 89 -12.258 6.756 12.824 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.738 5.077 11.862 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.697 7.100 12.658 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.832 8.593 12.222 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.527 7.563 10.948 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.149 6.614 9.196 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.090 5.771 8.668 1.00 0.00 C ATOM 1324 C ALA A 90 -8.167 6.613 7.785 1.00 0.00 C ATOM 1325 O ALA A 90 -8.606 7.584 7.170 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.705 4.592 7.912 1.00 0.00 C ATOM 0 H ALA A 90 -10.464 7.350 8.563 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.487 5.360 9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.911 3.960 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.328 4.010 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.315 4.966 7.090 1.00 0.00 H new ATOM 1332 N THR A 91 -6.905 6.210 7.749 1.00 0.00 N ATOM 1333 CA THR A 91 -5.917 6.914 6.951 1.00 0.00 C ATOM 1334 C THR A 91 -5.030 5.919 6.200 1.00 0.00 C ATOM 1335 O THR A 91 -4.860 4.782 6.635 1.00 0.00 O ATOM 1336 CB THR A 91 -5.134 7.844 7.881 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.138 8.647 8.495 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.271 8.848 7.114 1.00 0.00 C ATOM 0 H THR A 91 -6.545 5.404 8.260 1.00 0.00 H new ATOM 0 HA THR A 91 -6.391 7.523 6.182 1.00 0.00 H new ATOM 0 HB THR A 91 -4.501 7.249 8.539 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.718 9.278 9.116 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.737 9.483 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.553 8.311 6.494 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.908 9.466 6.480 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.489 6.384 5.083 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.624 5.549 4.267 1.00 0.00 C ATOM 1348 C LEU A 92 -2.225 6.167 4.217 1.00 0.00 C ATOM 1349 O LEU A 92 -2.042 7.253 3.670 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.246 5.322 2.887 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.361 4.609 1.862 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.457 5.604 1.132 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.561 3.482 2.518 1.00 0.00 C ATOM 0 H LEU A 92 -4.633 7.328 4.724 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.520 4.559 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.161 4.743 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.536 6.290 2.477 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.007 4.151 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.839 5.071 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.071 6.340 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.817 6.111 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.941 2.992 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.925 3.895 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.246 2.755 2.953 1.00 0.00 H new ATOM 1365 N THR A 93 -1.275 5.447 4.795 1.00 0.00 N ATOM 1366 CA THR A 93 0.102 5.911 4.823 1.00 0.00 C ATOM 1367 C THR A 93 0.968 5.069 3.884 1.00 0.00 C ATOM 1368 O THR A 93 1.116 3.864 4.084 1.00 0.00 O ATOM 1369 CB THR A 93 0.580 5.886 6.277 1.00 0.00 C ATOM 1370 OG1 THR A 93 0.095 7.109 6.823 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.101 6.002 6.395 1.00 0.00 C ATOM 0 H THR A 93 -1.431 4.546 5.247 1.00 0.00 H new ATOM 0 HA THR A 93 0.182 6.935 4.457 1.00 0.00 H new ATOM 0 HB THR A 93 0.248 4.963 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.359 7.174 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.387 5.979 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.571 5.169 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.430 6.941 5.950 1.00 0.00 H new ATOM 1379 N LEU A 94 1.518 5.736 2.880 1.00 0.00 N ATOM 1380 CA LEU A 94 2.365 5.064 1.910 1.00 0.00 C ATOM 1381 C LEU A 94 3.801 5.021 2.436 1.00 0.00 C ATOM 1382 O LEU A 94 4.242 5.941 3.124 1.00 0.00 O ATOM 1383 CB LEU A 94 2.233 5.724 0.536 1.00 0.00 C ATOM 1384 CG LEU A 94 0.810 5.862 -0.009 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.787 6.726 -1.271 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.178 4.488 -0.243 1.00 0.00 C ATOM 0 H LEU A 94 1.393 6.735 2.717 1.00 0.00 H new ATOM 0 HA LEU A 94 2.044 4.031 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.679 6.717 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.820 5.148 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 94 0.205 6.372 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.236 6.808 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.170 7.720 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.411 6.267 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.833 4.614 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.776 3.930 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.140 3.940 0.698 1.00 0.00 H new ATOM 1398 N THR A 95 4.491 3.943 2.093 1.00 0.00 N ATOM 1399 CA THR A 95 5.868 3.768 2.523 1.00 0.00 C ATOM 1400 C THR A 95 6.676 3.047 1.442 1.00 0.00 C ATOM 1401 O THR A 95 6.153 2.178 0.747 1.00 0.00 O ATOM 1402 CB THR A 95 5.855 3.031 3.864 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.544 2.478 3.943 1.00 0.00 O ATOM 1404 CG2 THR A 95 5.928 3.986 5.057 1.00 0.00 C ATOM 0 H THR A 95 4.122 3.182 1.522 1.00 0.00 H new ATOM 0 HA THR A 95 6.362 4.729 2.668 1.00 0.00 H new ATOM 0 HB THR A 95 6.693 2.335 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.449 1.981 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.916 3.412 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.849 4.567 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.072 4.660 5.036 1.00 0.00 H new ATOM 1412 N LEU A 96 7.938 3.436 1.334 1.00 0.00 N ATOM 1413 CA LEU A 96 8.824 2.837 0.350 1.00 0.00 C ATOM 1414 C LEU A 96 9.993 2.160 1.067 1.00 0.00 C ATOM 1415 O LEU A 96 10.946 2.824 1.472 1.00 0.00 O ATOM 1416 CB LEU A 96 9.257 3.879 -0.684 1.00 0.00 C ATOM 1417 CG LEU A 96 8.820 3.614 -2.126 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.830 4.904 -2.948 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.676 2.520 -2.767 1.00 0.00 C ATOM 0 H LEU A 96 8.368 4.158 1.912 1.00 0.00 H new ATOM 0 HA LEU A 96 8.302 2.062 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.865 4.849 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.344 3.953 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 96 7.793 3.250 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.515 4.687 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.144 5.625 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.837 5.320 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.344 2.352 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.721 2.831 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.574 1.597 -2.196 1.00 0.00 H new ATOM 1431 N ARG A 97 9.882 0.846 1.202 1.00 0.00 N ATOM 1432 CA ARG A 97 10.918 0.072 1.863 1.00 0.00 C ATOM 1433 C ARG A 97 11.816 -0.608 0.827 1.00 0.00 C ATOM 1434 O ARG A 97 11.349 -1.003 -0.240 1.00 0.00 O ATOM 1435 CB ARG A 97 10.310 -0.994 2.778 1.00 0.00 C ATOM 1436 CG ARG A 97 9.917 -0.396 4.130 1.00 0.00 C ATOM 1437 CD ARG A 97 8.396 -0.317 4.274 1.00 0.00 C ATOM 1438 NE ARG A 97 8.027 -0.210 5.703 1.00 0.00 N ATOM 1439 CZ ARG A 97 8.065 -1.233 6.567 1.00 0.00 C ATOM 1440 NH1 ARG A 97 8.456 -2.446 6.153 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.713 -1.043 7.846 1.00 0.00 N ATOM 0 H ARG A 97 9.090 0.299 0.865 1.00 0.00 H new ATOM 0 HA ARG A 97 11.510 0.759 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.433 -1.431 2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.027 -1.802 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.331 -1.004 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.347 0.600 4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.015 0.545 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.935 -1.202 3.836 1.00 0.00 H new ATOM 0 HE ARG A 97 7.725 0.700 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.725 -2.591 5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.485 -3.225 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.416 -0.120 8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.742 -1.822 8.504 1.00 0.00 H new ATOM 1455 N THR A 98 13.088 -0.722 1.177 1.00 0.00 N ATOM 1456 CA THR A 98 14.056 -1.346 0.291 1.00 0.00 C ATOM 1457 C THR A 98 14.340 -2.781 0.738 1.00 0.00 C ATOM 1458 O THR A 98 14.687 -3.018 1.895 1.00 0.00 O ATOM 1459 CB THR A 98 15.304 -0.462 0.255 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.521 -0.112 1.619 1.00 0.00 O ATOM 1461 CG2 THR A 98 15.052 0.879 -0.438 1.00 0.00 C ATOM 0 H THR A 98 13.472 -0.393 2.063 1.00 0.00 H new ATOM 0 HA THR A 98 13.668 -1.426 -0.725 1.00 0.00 H new ATOM 0 HB THR A 98 16.108 -0.990 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.400 -0.904 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.969 1.468 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.736 0.703 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.271 1.422 0.094 1.00 0.00 H new ATOM 1469 N CYS A 99 14.183 -3.702 -0.201 1.00 0.00 N ATOM 1470 CA CYS A 99 14.419 -5.108 0.082 1.00 0.00 C ATOM 1471 C CYS A 99 15.847 -5.258 0.610 1.00 0.00 C ATOM 1472 O CYS A 99 16.807 -5.171 -0.153 1.00 0.00 O ATOM 1473 CB CYS A 99 14.171 -5.982 -1.149 1.00 0.00 C ATOM 1474 SG CYS A 99 14.180 -7.749 -0.674 1.00 0.00 S ATOM 0 H CYS A 99 13.895 -3.502 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 99 13.714 -5.453 0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.214 -5.724 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 99 14.939 -5.795 -1.899 1.00 0.00 H new ATOM 0 HG CYS A 99 13.966 -8.482 -1.726 1.00 0.00 H new ATOM 1599 N VAL A 107 12.172 2.744 6.784 1.00 0.00 N ATOM 1600 CA VAL A 107 11.407 3.231 5.649 1.00 0.00 C ATOM 1601 C VAL A 107 12.275 4.184 4.825 1.00 0.00 C ATOM 1602 O VAL A 107 13.002 5.005 5.382 1.00 0.00 O ATOM 1603 CB VAL A 107 10.105 3.874 6.132 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.573 4.873 5.102 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.055 2.810 6.457 1.00 0.00 C ATOM 0 HA VAL A 107 11.123 2.405 4.997 1.00 0.00 H new ATOM 0 HB VAL A 107 10.322 4.421 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.647 5.316 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.312 5.658 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.380 4.358 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.140 3.294 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.844 2.223 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.432 2.154 7.242 1.00 0.00 H new ATOM 1615 N ALA A 108 12.171 4.043 3.512 1.00 0.00 N ATOM 1616 CA ALA A 108 12.938 4.881 2.606 1.00 0.00 C ATOM 1617 C ALA A 108 12.198 6.203 2.392 1.00 0.00 C ATOM 1618 O ALA A 108 12.823 7.247 2.213 1.00 0.00 O ATOM 1619 CB ALA A 108 13.180 4.129 1.296 1.00 0.00 C ATOM 0 H ALA A 108 11.567 3.361 3.054 1.00 0.00 H new ATOM 0 HA ALA A 108 13.914 5.115 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.755 4.758 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.734 3.213 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.223 3.880 0.837 1.00 0.00 H new ATOM 1625 N GLY A 109 10.876 6.115 2.416 1.00 0.00 N ATOM 1626 CA GLY A 109 10.044 7.291 2.227 1.00 0.00 C ATOM 1627 C GLY A 109 8.580 6.984 2.547 1.00 0.00 C ATOM 1628 O GLY A 109 7.982 6.095 1.943 1.00 0.00 O ATOM 0 H GLY A 109 10.361 5.247 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.398 8.098 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.130 7.640 1.198 1.00 0.00 H new ATOM 1632 N GLU A 110 8.044 7.738 3.496 1.00 0.00 N ATOM 1633 CA GLU A 110 6.661 7.557 3.903 1.00 0.00 C ATOM 1634 C GLU A 110 5.808 8.733 3.421 1.00 0.00 C ATOM 1635 O GLU A 110 6.270 9.873 3.404 1.00 0.00 O ATOM 1636 CB GLU A 110 6.553 7.387 5.419 1.00 0.00 C ATOM 1637 CG GLU A 110 5.175 7.820 5.923 1.00 0.00 C ATOM 1638 CD GLU A 110 5.046 7.590 7.431 1.00 0.00 C ATOM 1639 OE1 GLU A 110 5.529 6.531 7.887 1.00 0.00 O ATOM 1640 OE2 GLU A 110 4.467 8.478 8.092 1.00 0.00 O ATOM 0 H GLU A 110 8.542 8.475 3.994 1.00 0.00 H new ATOM 0 HA GLU A 110 6.283 6.645 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.730 6.345 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.326 7.978 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.016 8.874 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.400 7.261 5.399 1.00 0.00 H new ATOM 1647 N LEU A 111 4.579 8.415 3.043 1.00 0.00 N ATOM 1648 CA LEU A 111 3.657 9.431 2.563 1.00 0.00 C ATOM 1649 C LEU A 111 2.342 9.327 3.336 1.00 0.00 C ATOM 1650 O LEU A 111 1.913 8.231 3.694 1.00 0.00 O ATOM 1651 CB LEU A 111 3.489 9.327 1.045 1.00 0.00 C ATOM 1652 CG LEU A 111 3.741 10.611 0.253 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.322 10.298 -1.128 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.470 11.458 0.161 1.00 0.00 C ATOM 0 H LEU A 111 4.200 7.468 3.059 1.00 0.00 H new ATOM 0 HA LEU A 111 4.057 10.428 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.167 8.557 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.475 8.987 0.834 1.00 0.00 H new ATOM 0 HG LEU A 111 4.483 11.202 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.492 11.228 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.267 9.767 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.621 9.676 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.677 12.365 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.688 10.887 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.138 11.726 1.164 1.00 0.00 H new ATOM 1666 N ARG A 112 1.738 10.482 3.572 1.00 0.00 N ATOM 1667 CA ARG A 112 0.479 10.535 4.297 1.00 0.00 C ATOM 1668 C ARG A 112 -0.665 10.895 3.347 1.00 0.00 C ATOM 1669 O ARG A 112 -0.511 11.754 2.481 1.00 0.00 O ATOM 1670 CB ARG A 112 0.538 11.564 5.427 1.00 0.00 C ATOM 1671 CG ARG A 112 -0.868 11.933 5.906 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.589 10.713 6.482 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.540 10.747 7.961 1.00 0.00 N ATOM 1674 CZ ARG A 112 -2.313 11.534 8.720 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -3.200 12.358 8.145 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.199 11.499 10.055 1.00 0.00 N ATOM 0 H ARG A 112 2.097 11.389 3.274 1.00 0.00 H new ATOM 0 HA ARG A 112 0.302 9.549 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.116 11.163 6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.055 12.459 5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.805 12.714 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.444 12.341 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.625 10.700 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.123 9.798 6.115 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.876 10.132 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.286 12.386 7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.789 12.957 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.523 10.873 10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.788 12.099 10.633 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.788 10.219 3.543 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.958 10.456 2.715 1.00 0.00 C ATOM 1692 C LEU A 113 -4.218 10.345 3.576 1.00 0.00 C ATOM 1693 O LEU A 113 -4.144 9.969 4.745 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.957 9.521 1.504 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.646 9.443 0.718 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.721 8.367 -0.367 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.269 10.810 0.144 1.00 0.00 C ATOM 0 H LEU A 113 -1.912 9.507 4.263 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.937 11.467 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.214 8.518 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.747 9.839 0.824 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.852 9.152 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.777 8.332 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.910 7.398 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.530 8.603 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.334 10.727 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.058 11.154 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.146 11.525 0.958 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.345 10.680 2.965 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.619 10.623 3.661 1.00 0.00 C ATOM 1711 C GLY A 114 -7.656 9.849 2.844 1.00 0.00 C ATOM 1712 O GLY A 114 -7.635 9.884 1.615 1.00 0.00 O ATOM 0 H GLY A 114 -5.402 10.992 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.486 10.146 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.980 11.634 3.849 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.540 9.170 3.561 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.583 8.389 2.918 1.00 0.00 C ATOM 1718 C LEU A 115 -10.906 9.154 2.993 1.00 0.00 C ATOM 1719 O LEU A 115 -11.724 9.077 2.078 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.649 6.984 3.520 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.312 6.258 3.677 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -8.491 4.934 4.423 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -7.630 6.064 2.321 1.00 0.00 C ATOM 0 H LEU A 115 -8.555 9.145 4.581 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.356 8.247 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.120 7.052 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.300 6.373 2.895 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.654 6.882 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.525 4.438 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.902 5.127 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.174 4.292 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.682 5.545 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.274 5.472 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.448 7.036 1.863 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.075 9.874 4.092 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.285 10.652 4.299 1.00 0.00 C ATOM 1737 C ASP A 116 -12.665 11.352 2.994 1.00 0.00 C ATOM 1738 O ASP A 116 -13.846 11.480 2.674 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.073 11.726 5.368 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.962 12.732 5.062 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -11.276 13.736 4.387 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -9.824 12.475 5.510 1.00 0.00 O ATOM 0 H ASP A 116 -10.394 9.935 4.849 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.072 9.971 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.007 12.270 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.848 11.235 6.315 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.641 11.789 2.274 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.853 12.474 1.010 1.00 0.00 C ATOM 1749 C GLY A 117 -11.487 13.955 1.121 1.00 0.00 C ATOM 1750 O GLY A 117 -12.171 14.811 0.561 1.00 0.00 O ATOM 0 H GLY A 117 -10.663 11.682 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.251 12.004 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.896 12.375 0.709 1.00 0.00 H new ATOM 1754 N THR A 118 -10.409 14.213 1.847 1.00 0.00 N ATOM 1755 CA THR A 118 -9.944 15.576 2.039 1.00 0.00 C ATOM 1756 C THR A 118 -8.594 15.781 1.347 1.00 0.00 C ATOM 1757 O THR A 118 -8.539 16.262 0.216 1.00 0.00 O ATOM 1758 CB THR A 118 -9.905 15.855 3.542 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.261 16.134 3.879 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.163 17.151 3.878 1.00 0.00 C ATOM 0 H THR A 118 -9.844 13.501 2.309 1.00 0.00 H new ATOM 0 HA THR A 118 -10.622 16.294 1.578 1.00 0.00 H new ATOM 0 HB THR A 118 -9.427 15.020 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.605 15.426 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.165 17.302 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.135 17.084 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.661 17.991 3.394 1.00 0.00 H new ATOM 1768 N SER A 119 -7.540 15.406 2.056 1.00 0.00 N ATOM 1769 CA SER A 119 -6.194 15.542 1.525 1.00 0.00 C ATOM 1770 C SER A 119 -6.182 15.194 0.035 1.00 0.00 C ATOM 1771 O SER A 119 -5.970 16.064 -0.808 1.00 0.00 O ATOM 1772 CB SER A 119 -5.209 14.653 2.286 1.00 0.00 C ATOM 1773 OG SER A 119 -4.950 15.145 3.598 1.00 0.00 O ATOM 0 H SER A 119 -7.590 15.008 2.994 1.00 0.00 H new ATOM 0 HA SER A 119 -5.879 16.578 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.609 13.641 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.273 14.591 1.731 1.00 0.00 H new ATOM 0 HG SER A 119 -4.318 14.549 4.052 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.412 13.919 -0.244 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.430 13.445 -1.617 1.00 0.00 C ATOM 1781 C VAL A 120 -7.808 12.860 -1.932 1.00 0.00 C ATOM 1782 O VAL A 120 -8.348 12.079 -1.151 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.291 12.448 -1.842 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -5.016 11.636 -0.574 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.594 11.528 -3.026 1.00 0.00 C ATOM 0 H VAL A 120 -6.587 13.200 0.458 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.262 14.271 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.391 13.015 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -4.202 10.935 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.736 12.310 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -5.913 11.084 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.769 10.829 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.511 10.972 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.718 12.126 -3.929 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.352 13.271 -3.109 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.656 12.796 -3.537 1.00 0.00 C ATOM 1797 C PRO A 121 -9.577 11.353 -4.038 1.00 0.00 C ATOM 1798 O PRO A 121 -8.487 10.805 -4.194 1.00 0.00 O ATOM 1799 CB PRO A 121 -10.098 13.775 -4.613 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.835 14.484 -5.075 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.741 14.195 -4.060 1.00 0.00 C ATOM 0 HA PRO A 121 -10.380 12.766 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.579 13.254 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.824 14.487 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.540 14.133 -6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.007 15.557 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.866 13.752 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.407 15.108 -3.567 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.747 10.778 -4.276 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.824 9.409 -4.757 1.00 0.00 C ATOM 1811 C LEU A 122 -10.937 9.413 -6.282 1.00 0.00 C ATOM 1812 O LEU A 122 -11.410 10.385 -6.870 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.961 8.659 -4.058 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.730 8.311 -2.586 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -13.027 7.845 -1.923 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.607 7.282 -2.436 1.00 0.00 C ATOM 0 H LEU A 122 -11.649 11.235 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.913 8.866 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.866 9.262 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.150 7.735 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.410 9.215 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.835 7.604 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.771 8.639 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.400 6.959 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.463 7.052 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.874 6.372 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.683 7.689 -2.848 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.494 8.317 -6.880 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.539 8.182 -8.326 1.00 0.00 C ATOM 1830 C GLY A 123 -9.715 9.278 -9.005 1.00 0.00 C ATOM 1831 O GLY A 123 -9.826 9.486 -10.212 1.00 0.00 O ATOM 0 H GLY A 123 -10.102 7.514 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -10.157 7.203 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.573 8.235 -8.668 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.905 9.950 -8.199 1.00 0.00 N ATOM 1836 CA ALA A 124 -8.062 11.019 -8.706 1.00 0.00 C ATOM 1837 C ALA A 124 -6.601 10.712 -8.372 1.00 0.00 C ATOM 1838 O ALA A 124 -6.160 10.928 -7.244 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.526 12.355 -8.123 1.00 0.00 C ATOM 0 H ALA A 124 -8.815 9.774 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.144 11.091 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.894 13.157 -8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.560 12.539 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.455 12.322 -7.036 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.890 10.214 -9.373 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.487 9.876 -9.200 1.00 0.00 C ATOM 1847 C ALA A 125 -3.659 11.162 -9.155 1.00 0.00 C ATOM 1848 O ALA A 125 -3.721 11.977 -10.074 1.00 0.00 O ATOM 1849 CB ALA A 125 -4.046 8.937 -10.324 1.00 0.00 C ATOM 0 H ALA A 125 -6.259 10.036 -10.307 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.332 9.351 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.994 8.683 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.645 8.027 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.184 9.431 -11.286 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.903 11.303 -8.076 1.00 0.00 N ATOM 1856 CA GLN A 126 -2.063 12.476 -7.899 1.00 0.00 C ATOM 1857 C GLN A 126 -0.700 12.072 -7.333 1.00 0.00 C ATOM 1858 O GLN A 126 -0.601 11.116 -6.566 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.746 13.508 -7.000 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.679 12.829 -5.995 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.544 13.860 -5.267 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -4.556 13.950 -4.051 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.266 14.629 -6.078 1.00 0.00 N ATOM 0 H GLN A 126 -2.854 10.625 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.907 12.938 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.992 14.087 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.313 14.209 -7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.318 12.113 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.091 12.266 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.208 14.500 -7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -5.877 15.347 -5.690 1.00 0.00 H new ATOM 1872 N TRP A 127 0.317 12.821 -7.734 1.00 0.00 N ATOM 1873 CA TRP A 127 1.669 12.553 -7.277 1.00 0.00 C ATOM 1874 C TRP A 127 1.797 13.078 -5.845 1.00 0.00 C ATOM 1875 O TRP A 127 0.924 13.799 -5.365 1.00 0.00 O ATOM 1876 CB TRP A 127 2.701 13.160 -8.230 1.00 0.00 C ATOM 1877 CG TRP A 127 2.913 12.353 -9.512 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.189 12.387 -10.639 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.954 11.383 -9.755 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.684 11.515 -11.586 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.792 10.885 -11.032 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.999 10.942 -8.924 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.637 9.919 -11.591 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.835 9.976 -9.497 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.685 9.464 -10.781 1.00 0.00 C ATOM 0 H TRP A 127 0.231 13.613 -8.371 1.00 0.00 H new ATOM 0 HA TRP A 127 1.870 11.482 -7.275 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.386 14.169 -8.496 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.654 13.251 -7.708 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.326 13.018 -10.787 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.306 11.361 -12.521 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.145 11.319 -7.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.489 9.545 -12.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.654 9.602 -8.900 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.373 8.719 -11.152 1.00 0.00 H new ATOM 1896 N GLY A 128 2.892 12.696 -5.204 1.00 0.00 N ATOM 1897 CA GLY A 128 3.145 13.120 -3.838 1.00 0.00 C ATOM 1898 C GLY A 128 4.588 12.818 -3.428 1.00 0.00 C ATOM 1899 O GLY A 128 5.115 11.750 -3.738 1.00 0.00 O ATOM 0 H GLY A 128 3.614 12.098 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.953 14.189 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.457 12.611 -3.162 1.00 0.00 H new ATOM 1903 N GLU A 129 5.187 13.778 -2.739 1.00 0.00 N ATOM 1904 CA GLU A 129 6.559 13.628 -2.284 1.00 0.00 C ATOM 1905 C GLU A 129 6.606 12.787 -1.007 1.00 0.00 C ATOM 1906 O GLU A 129 5.750 12.928 -0.135 1.00 0.00 O ATOM 1907 CB GLU A 129 7.217 14.993 -2.067 1.00 0.00 C ATOM 1908 CG GLU A 129 7.945 15.457 -3.330 1.00 0.00 C ATOM 1909 CD GLU A 129 7.515 16.873 -3.721 1.00 0.00 C ATOM 1910 OE1 GLU A 129 7.689 17.774 -2.873 1.00 0.00 O ATOM 1911 OE2 GLU A 129 7.021 17.021 -4.860 1.00 0.00 O ATOM 0 H GLU A 129 4.748 14.663 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 129 7.123 13.108 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.459 15.726 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.922 14.933 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.022 15.433 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.734 14.770 -4.149 1.00 0.00 H new ATOM 1918 N LEU A 130 7.615 11.931 -0.937 1.00 0.00 N ATOM 1919 CA LEU A 130 7.785 11.067 0.219 1.00 0.00 C ATOM 1920 C LEU A 130 8.344 11.886 1.384 1.00 0.00 C ATOM 1921 O LEU A 130 9.294 12.649 1.212 1.00 0.00 O ATOM 1922 CB LEU A 130 8.638 9.850 -0.143 1.00 0.00 C ATOM 1923 CG LEU A 130 7.979 8.817 -1.059 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.022 7.872 -1.659 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.873 8.058 -0.324 1.00 0.00 C ATOM 0 H LEU A 130 8.323 11.817 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 130 6.823 10.668 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.551 10.201 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.934 9.351 0.780 1.00 0.00 H new ATOM 0 HG LEU A 130 7.509 9.346 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.527 7.148 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.742 8.447 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.541 7.347 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.421 7.330 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.297 7.541 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.112 8.761 0.014 1.00 0.00 H new ATOM 1937 N LYS A 131 7.732 11.700 2.544 1.00 0.00 N ATOM 1938 CA LYS A 131 8.157 12.412 3.737 1.00 0.00 C ATOM 1939 C LYS A 131 9.219 11.588 4.466 1.00 0.00 C ATOM 1940 O LYS A 131 9.041 11.227 5.628 1.00 0.00 O ATOM 1941 CB LYS A 131 6.950 12.767 4.608 1.00 0.00 C ATOM 1942 CG LYS A 131 5.954 13.636 3.836 1.00 0.00 C ATOM 1943 CD LYS A 131 6.455 15.077 3.723 1.00 0.00 C ATOM 1944 CE LYS A 131 6.858 15.406 2.285 1.00 0.00 C ATOM 1945 NZ LYS A 131 8.159 16.111 2.259 1.00 0.00 N ATOM 0 H LYS A 131 6.945 11.066 2.683 1.00 0.00 H new ATOM 0 HA LYS A 131 8.618 13.362 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.458 11.854 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.284 13.296 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.801 13.222 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.987 13.622 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.675 15.764 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.308 15.222 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.923 14.488 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.092 16.026 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.417 16.327 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.085 16.996 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.890 15.506 2.684 1.00 0.00 H new