USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.492 (180deg=-1.75) USER MOD Single : A 60 GLN : amide:sc= -6.02! C(o=-6!,f=-11!) USER MOD Single : A 64 ASN : amide:sc= -0.811 K(o=-0.81,f=-3.3!) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.58) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= -0.0411 (180deg=-0.0411) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -164:sc= -0.0368 (180deg=-0.381) USER MOD Single : A 94 HIS : no HE2:sc= -1.87! C(o=-1.9!,f=-2.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot -170:sc= -0.32 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 15:sc= -1.26 USER MOD Single : A 103 CYS SG : rot 102:sc= 0.349 USER MOD Single : A 107 SER OG : rot -177:sc= -0.971 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.671 K(o=-0.67,f=-1.5) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0.442 K(o=0.44,f=-4!) USER MOD Single : A 118 GLN : amide:sc= -0.989 K(o=-0.99,f=-2.1) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.71) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.33) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 1.724 10.344 -3.412 1.00 0.00 N ATOM 157 CA ILE A 54 2.896 9.664 -3.952 1.00 0.00 C ATOM 158 C ILE A 54 2.544 8.261 -4.433 1.00 0.00 C ATOM 159 O ILE A 54 1.858 7.509 -3.742 1.00 0.00 O ATOM 160 CB ILE A 54 4.022 9.569 -2.906 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.583 10.959 -2.599 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.125 8.643 -3.398 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.680 10.952 -1.558 1.00 0.00 C ATOM 0 HA ILE A 54 3.245 10.258 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 54 3.609 9.154 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.969 11.397 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.772 11.601 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.914 8.586 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.715 7.648 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.537 9.031 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.030 11.971 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.293 10.544 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.509 10.336 -1.907 1.00 0.00 H new ATOM 175 N LYS A 55 3.020 7.914 -5.624 1.00 0.00 N ATOM 176 CA LYS A 55 2.760 6.600 -6.200 1.00 0.00 C ATOM 177 C LYS A 55 3.827 5.597 -5.772 1.00 0.00 C ATOM 178 O LYS A 55 4.833 5.415 -6.459 1.00 0.00 O ATOM 179 CB LYS A 55 2.712 6.689 -7.726 1.00 0.00 C ATOM 180 CG LYS A 55 2.506 5.347 -8.408 1.00 0.00 C ATOM 181 CD LYS A 55 3.214 5.290 -9.751 1.00 0.00 C ATOM 182 CE LYS A 55 2.632 6.296 -10.732 1.00 0.00 C ATOM 183 NZ LYS A 55 3.248 7.643 -10.575 1.00 0.00 N ATOM 0 H LYS A 55 3.589 8.525 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 55 1.794 6.255 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.906 7.362 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.642 7.131 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.879 4.550 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.440 5.170 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.277 5.489 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.129 4.285 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.788 5.942 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.555 6.369 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.323 8.101 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.655 8.225 -9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.197 7.545 -10.160 1.00 0.00 H new ATOM 197 N LEU A 56 3.601 4.949 -4.634 1.00 0.00 N ATOM 198 CA LEU A 56 4.543 3.963 -4.116 1.00 0.00 C ATOM 199 C LEU A 56 4.447 2.656 -4.895 1.00 0.00 C ATOM 200 O LEU A 56 3.376 2.057 -4.994 1.00 0.00 O ATOM 201 CB LEU A 56 4.278 3.707 -2.631 1.00 0.00 C ATOM 202 CG LEU A 56 4.762 4.789 -1.666 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.241 4.524 -0.262 1.00 0.00 C ATOM 204 CD2 LEU A 56 6.282 4.865 -1.667 1.00 0.00 C ATOM 0 H LEU A 56 2.774 5.089 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 56 5.551 4.361 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.205 3.578 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.751 2.765 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 56 4.370 5.749 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.596 5.304 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.151 4.522 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.602 3.555 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.608 5.641 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.695 3.905 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.634 5.104 -2.671 1.00 0.00 H new ATOM 216 N PHE A 57 5.574 2.216 -5.444 1.00 0.00 N ATOM 217 CA PHE A 57 5.617 0.978 -6.213 1.00 0.00 C ATOM 218 C PHE A 57 5.987 -0.204 -5.322 1.00 0.00 C ATOM 219 O PHE A 57 7.102 -0.280 -4.805 1.00 0.00 O ATOM 220 CB PHE A 57 6.623 1.100 -7.360 1.00 0.00 C ATOM 221 CG PHE A 57 7.108 -0.225 -7.876 1.00 0.00 C ATOM 222 CD1 PHE A 57 6.431 -0.878 -8.892 1.00 0.00 C ATOM 223 CD2 PHE A 57 8.242 -0.817 -7.343 1.00 0.00 C ATOM 224 CE1 PHE A 57 6.875 -2.097 -9.369 1.00 0.00 C ATOM 225 CE2 PHE A 57 8.692 -2.035 -7.816 1.00 0.00 C ATOM 226 CZ PHE A 57 8.006 -2.677 -8.829 1.00 0.00 C ATOM 0 H PHE A 57 6.470 2.698 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 57 4.624 0.802 -6.626 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.163 1.653 -8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.479 1.684 -7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.545 -0.429 -9.317 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.780 -0.321 -6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.338 -2.595 -10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.579 -2.485 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.354 -3.631 -9.198 1.00 0.00 H new ATOM 236 N ILE A 58 5.043 -1.123 -5.146 1.00 0.00 N ATOM 237 CA ILE A 58 5.269 -2.301 -4.318 1.00 0.00 C ATOM 238 C ILE A 58 5.644 -3.508 -5.170 1.00 0.00 C ATOM 239 O ILE A 58 5.003 -3.791 -6.181 1.00 0.00 O ATOM 240 CB ILE A 58 4.026 -2.645 -3.478 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.433 -1.377 -2.860 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.381 -3.653 -2.394 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.383 -0.659 -1.926 1.00 0.00 C ATOM 0 H ILE A 58 4.115 -1.074 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 58 6.095 -2.062 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 58 3.277 -3.092 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.138 -0.697 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.527 -1.638 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.492 -3.886 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.761 -4.565 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.145 -3.231 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.896 0.230 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.659 -1.323 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.279 -0.366 -2.473 1.00 0.00 H new ATOM 255 N GLY A 59 6.687 -4.220 -4.753 1.00 0.00 N ATOM 256 CA GLY A 59 7.128 -5.390 -5.488 1.00 0.00 C ATOM 257 C GLY A 59 7.227 -6.623 -4.612 1.00 0.00 C ATOM 258 O GLY A 59 6.773 -6.616 -3.468 1.00 0.00 O ATOM 0 H GLY A 59 7.234 -4.007 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.434 -5.584 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.101 -5.188 -5.937 1.00 0.00 H new ATOM 262 N GLN A 60 7.820 -7.684 -5.149 1.00 0.00 N ATOM 263 CA GLN A 60 7.973 -8.930 -4.408 1.00 0.00 C ATOM 264 C GLN A 60 6.624 -9.438 -3.910 1.00 0.00 C ATOM 265 O GLN A 60 6.441 -9.676 -2.716 1.00 0.00 O ATOM 266 CB GLN A 60 8.924 -8.731 -3.226 1.00 0.00 C ATOM 267 CG GLN A 60 10.329 -8.324 -3.637 1.00 0.00 C ATOM 268 CD GLN A 60 11.264 -8.176 -2.453 1.00 0.00 C ATOM 269 OE1 GLN A 60 11.101 -7.278 -1.627 1.00 0.00 O ATOM 270 NE2 GLN A 60 12.252 -9.060 -2.365 1.00 0.00 N ATOM 0 H GLN A 60 8.202 -7.706 -6.094 1.00 0.00 H new ATOM 0 HA GLN A 60 8.394 -9.675 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.513 -7.969 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.976 -9.657 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.733 -9.069 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.285 -7.380 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.349 -9.788 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.913 -9.011 -1.590 1.00 0.00 H new ATOM 279 N ILE A 61 5.682 -9.600 -4.833 1.00 0.00 N ATOM 280 CA ILE A 61 4.349 -10.080 -4.488 1.00 0.00 C ATOM 281 C ILE A 61 3.899 -11.183 -5.439 1.00 0.00 C ATOM 282 O ILE A 61 3.976 -11.053 -6.661 1.00 0.00 O ATOM 283 CB ILE A 61 3.315 -8.939 -4.516 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.638 -7.902 -3.438 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.911 -9.492 -4.324 1.00 0.00 C ATOM 286 CD1 ILE A 61 2.673 -6.737 -3.412 1.00 0.00 C ATOM 0 H ILE A 61 5.817 -9.406 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 61 4.409 -10.479 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 61 3.361 -8.450 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.633 -8.389 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.647 -7.524 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.191 -8.674 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.685 -10.196 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.850 -10.003 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.963 -6.042 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.695 -6.225 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.665 -7.104 -3.219 1.00 0.00 H new ATOM 298 N PRO A 62 3.414 -12.295 -4.868 1.00 0.00 N ATOM 299 CA PRO A 62 2.939 -13.443 -5.647 1.00 0.00 C ATOM 300 C PRO A 62 1.641 -13.142 -6.389 1.00 0.00 C ATOM 301 O PRO A 62 1.180 -12.000 -6.415 1.00 0.00 O ATOM 302 CB PRO A 62 2.709 -14.521 -4.585 1.00 0.00 C ATOM 303 CG PRO A 62 2.458 -13.766 -3.326 1.00 0.00 C ATOM 304 CD PRO A 62 3.293 -12.519 -3.418 1.00 0.00 C ATOM 0 HA PRO A 62 3.649 -13.732 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.860 -15.155 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.577 -15.173 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.401 -13.521 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.735 -14.358 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.813 -11.677 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.268 -12.653 -2.949 1.00 0.00 H new ATOM 312 N ARG A 63 1.057 -14.172 -6.993 1.00 0.00 N ATOM 313 CA ARG A 63 -0.187 -14.016 -7.737 1.00 0.00 C ATOM 314 C ARG A 63 -1.335 -14.732 -7.031 1.00 0.00 C ATOM 315 O ARG A 63 -2.116 -15.443 -7.661 1.00 0.00 O ATOM 316 CB ARG A 63 -0.028 -14.562 -9.157 1.00 0.00 C ATOM 317 CG ARG A 63 -1.189 -14.217 -10.075 1.00 0.00 C ATOM 318 CD ARG A 63 -1.285 -15.189 -11.241 1.00 0.00 C ATOM 319 NE ARG A 63 -1.662 -16.531 -10.804 1.00 0.00 N ATOM 320 CZ ARG A 63 -2.919 -16.918 -10.617 1.00 0.00 C ATOM 321 NH1 ARG A 63 -3.915 -16.069 -10.828 1.00 0.00 N ATOM 322 NH2 ARG A 63 -3.181 -18.156 -10.219 1.00 0.00 N ATOM 0 H ARG A 63 1.425 -15.123 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.421 -12.953 -7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.893 -14.170 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.078 -15.646 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.120 -14.234 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.065 -13.203 -10.455 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.018 -14.822 -11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.326 -15.232 -11.757 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.919 -17.208 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.717 -15.117 -11.135 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.879 -16.368 -10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.417 -18.812 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.147 -18.452 -10.076 1.00 0.00 H new ATOM 336 N ASN A 64 -1.429 -14.539 -5.720 1.00 0.00 N ATOM 337 CA ASN A 64 -2.481 -15.167 -4.928 1.00 0.00 C ATOM 338 C ASN A 64 -3.124 -14.159 -3.981 1.00 0.00 C ATOM 339 O ASN A 64 -3.903 -14.527 -3.101 1.00 0.00 O ATOM 340 CB ASN A 64 -1.915 -16.343 -4.131 1.00 0.00 C ATOM 341 CG ASN A 64 -1.116 -15.892 -2.924 1.00 0.00 C ATOM 342 OD1 ASN A 64 -0.055 -15.283 -3.060 1.00 0.00 O ATOM 343 ND2 ASN A 64 -1.623 -16.191 -1.733 1.00 0.00 N ATOM 0 H ASN A 64 -0.790 -13.953 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.246 -15.535 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.734 -16.983 -3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.279 -16.946 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.129 -15.914 -0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.506 -16.697 -1.667 1.00 0.00 H new ATOM 350 N LEU A 65 -2.794 -12.886 -4.168 1.00 0.00 N ATOM 351 CA LEU A 65 -3.340 -11.823 -3.331 1.00 0.00 C ATOM 352 C LEU A 65 -4.468 -11.089 -4.049 1.00 0.00 C ATOM 353 O LEU A 65 -4.719 -11.321 -5.232 1.00 0.00 O ATOM 354 CB LEU A 65 -2.238 -10.835 -2.944 1.00 0.00 C ATOM 355 CG LEU A 65 -1.050 -11.420 -2.179 1.00 0.00 C ATOM 356 CD1 LEU A 65 -0.005 -10.347 -1.914 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.514 -12.050 -0.874 1.00 0.00 C ATOM 0 H LEU A 65 -2.151 -12.565 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.745 -12.278 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.863 -10.365 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.682 -10.046 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.595 -12.197 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.833 -10.782 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.350 -9.943 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.448 -9.547 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.655 -12.461 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.995 -11.293 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.225 -12.848 -1.088 1.00 0.00 H new ATOM 369 N ASP A 66 -5.143 -10.201 -3.327 1.00 0.00 N ATOM 370 CA ASP A 66 -6.242 -9.430 -3.896 1.00 0.00 C ATOM 371 C ASP A 66 -6.209 -7.989 -3.398 1.00 0.00 C ATOM 372 O ASP A 66 -5.683 -7.706 -2.323 1.00 0.00 O ATOM 373 CB ASP A 66 -7.583 -10.075 -3.541 1.00 0.00 C ATOM 374 CG ASP A 66 -7.510 -11.589 -3.522 1.00 0.00 C ATOM 375 OD1 ASP A 66 -7.437 -12.194 -4.612 1.00 0.00 O ATOM 376 OD2 ASP A 66 -7.525 -12.169 -2.416 1.00 0.00 O ATOM 0 H ASP A 66 -4.948 -9.997 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.126 -9.424 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.907 -9.717 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.337 -9.759 -4.262 1.00 0.00 H new ATOM 381 N GLU A 67 -6.774 -7.082 -4.189 1.00 0.00 N ATOM 382 CA GLU A 67 -6.807 -5.669 -3.829 1.00 0.00 C ATOM 383 C GLU A 67 -7.434 -5.474 -2.451 1.00 0.00 C ATOM 384 O GLU A 67 -6.973 -4.653 -1.657 1.00 0.00 O ATOM 385 CB GLU A 67 -7.589 -4.871 -4.874 1.00 0.00 C ATOM 386 CG GLU A 67 -6.794 -4.577 -6.135 1.00 0.00 C ATOM 387 CD GLU A 67 -7.648 -3.982 -7.238 1.00 0.00 C ATOM 388 OE1 GLU A 67 -8.881 -4.181 -7.205 1.00 0.00 O ATOM 389 OE2 GLU A 67 -7.085 -3.319 -8.133 1.00 0.00 O ATOM 0 H GLU A 67 -7.215 -7.300 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.780 -5.304 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.489 -5.424 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.914 -3.929 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.984 -3.888 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.334 -5.498 -6.493 1.00 0.00 H new ATOM 396 N LYS A 68 -8.487 -6.234 -2.173 1.00 0.00 N ATOM 397 CA LYS A 68 -9.178 -6.147 -0.892 1.00 0.00 C ATOM 398 C LYS A 68 -8.337 -6.761 0.222 1.00 0.00 C ATOM 399 O LYS A 68 -8.561 -6.490 1.402 1.00 0.00 O ATOM 400 CB LYS A 68 -10.533 -6.853 -0.971 1.00 0.00 C ATOM 401 CG LYS A 68 -11.372 -6.703 0.286 1.00 0.00 C ATOM 402 CD LYS A 68 -12.855 -6.850 -0.011 1.00 0.00 C ATOM 403 CE LYS A 68 -13.705 -6.130 1.024 1.00 0.00 C ATOM 404 NZ LYS A 68 -13.505 -4.655 0.978 1.00 0.00 N ATOM 0 H LYS A 68 -8.881 -6.918 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.337 -5.093 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.091 -6.456 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.370 -7.913 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.071 -7.453 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.185 -5.727 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.070 -6.450 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.120 -7.907 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.757 -6.359 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.456 -6.499 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.356 -4.178 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.687 -4.397 1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.332 -4.359 -0.004 1.00 0.00 H new ATOM 418 N ASP A 69 -7.370 -7.587 -0.160 1.00 0.00 N ATOM 419 CA ASP A 69 -6.493 -8.237 0.807 1.00 0.00 C ATOM 420 C ASP A 69 -5.245 -7.398 1.060 1.00 0.00 C ATOM 421 O ASP A 69 -4.628 -7.487 2.123 1.00 0.00 O ATOM 422 CB ASP A 69 -6.096 -9.629 0.313 1.00 0.00 C ATOM 423 CG ASP A 69 -7.061 -10.704 0.772 1.00 0.00 C ATOM 424 OD1 ASP A 69 -8.143 -10.830 0.161 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.734 -11.420 1.741 1.00 0.00 O ATOM 0 H ASP A 69 -7.173 -7.823 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.038 -8.335 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.052 -9.626 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.095 -9.867 0.672 1.00 0.00 H new ATOM 430 N LEU A 70 -4.876 -6.584 0.077 1.00 0.00 N ATOM 431 CA LEU A 70 -3.700 -5.729 0.192 1.00 0.00 C ATOM 432 C LEU A 70 -4.076 -4.358 0.746 1.00 0.00 C ATOM 433 O LEU A 70 -3.318 -3.755 1.506 1.00 0.00 O ATOM 434 CB LEU A 70 -3.024 -5.572 -1.172 1.00 0.00 C ATOM 435 CG LEU A 70 -2.161 -6.747 -1.632 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.775 -6.586 -3.094 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.920 -6.871 -0.761 1.00 0.00 C ATOM 0 H LEU A 70 -5.374 -6.498 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.003 -6.202 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.797 -5.400 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.401 -4.678 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.744 -7.662 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.161 -7.432 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.676 -6.549 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.211 -5.662 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.318 -7.713 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.334 -5.954 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.217 -7.035 0.275 1.00 0.00 H new ATOM 449 N LYS A 71 -5.251 -3.872 0.363 1.00 0.00 N ATOM 450 CA LYS A 71 -5.731 -2.575 0.824 1.00 0.00 C ATOM 451 C LYS A 71 -5.639 -2.469 2.343 1.00 0.00 C ATOM 452 O LYS A 71 -5.194 -1.461 2.893 1.00 0.00 O ATOM 453 CB LYS A 71 -7.176 -2.352 0.373 1.00 0.00 C ATOM 454 CG LYS A 71 -7.591 -0.891 0.359 1.00 0.00 C ATOM 455 CD LYS A 71 -9.069 -0.734 0.044 1.00 0.00 C ATOM 456 CE LYS A 71 -9.472 0.731 -0.023 1.00 0.00 C ATOM 457 NZ LYS A 71 -9.340 1.280 -1.401 1.00 0.00 N ATOM 0 H LYS A 71 -5.890 -4.358 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.097 -1.805 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.304 -2.767 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.843 -2.904 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.375 -0.441 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.001 -0.351 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.293 -1.218 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.660 -1.241 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.503 0.840 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.850 1.310 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.624 2.280 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.351 1.200 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.952 0.744 -2.048 1.00 0.00 H new ATOM 471 N PRO A 72 -6.068 -3.533 3.038 1.00 0.00 N ATOM 472 CA PRO A 72 -6.042 -3.584 4.503 1.00 0.00 C ATOM 473 C PRO A 72 -4.698 -3.145 5.075 1.00 0.00 C ATOM 474 O PRO A 72 -4.613 -2.147 5.792 1.00 0.00 O ATOM 475 CB PRO A 72 -6.297 -5.061 4.811 1.00 0.00 C ATOM 476 CG PRO A 72 -7.055 -5.568 3.633 1.00 0.00 C ATOM 477 CD PRO A 72 -6.611 -4.768 2.448 1.00 0.00 C ATOM 0 HA PRO A 72 -6.774 -2.909 4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.362 -5.605 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.869 -5.181 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.860 -6.629 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.128 -5.461 3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.856 -5.299 1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.442 -4.557 1.774 1.00 0.00 H new ATOM 485 N LEU A 73 -3.650 -3.895 4.752 1.00 0.00 N ATOM 486 CA LEU A 73 -2.309 -3.583 5.234 1.00 0.00 C ATOM 487 C LEU A 73 -2.072 -2.076 5.248 1.00 0.00 C ATOM 488 O LEU A 73 -2.043 -1.452 6.309 1.00 0.00 O ATOM 489 CB LEU A 73 -1.258 -4.266 4.356 1.00 0.00 C ATOM 490 CG LEU A 73 -1.188 -5.790 4.459 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.241 -6.353 3.409 1.00 0.00 C ATOM 492 CD2 LEU A 73 -0.750 -6.211 5.854 1.00 0.00 C ATOM 0 H LEU A 73 -3.703 -4.723 4.159 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.221 -3.956 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.453 -4.000 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.280 -3.859 4.611 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.184 -6.193 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.204 -7.439 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.597 -6.082 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.757 -5.942 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.706 -7.299 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.236 -5.797 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.466 -5.840 6.588 1.00 0.00 H new ATOM 504 N PHE A 74 -1.907 -1.497 4.064 1.00 0.00 N ATOM 505 CA PHE A 74 -1.675 -0.062 3.940 1.00 0.00 C ATOM 506 C PHE A 74 -2.795 0.730 4.607 1.00 0.00 C ATOM 507 O PHE A 74 -2.552 1.526 5.513 1.00 0.00 O ATOM 508 CB PHE A 74 -1.563 0.333 2.466 1.00 0.00 C ATOM 509 CG PHE A 74 -0.579 -0.500 1.695 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.782 -0.257 1.793 1.00 0.00 C ATOM 511 CD2 PHE A 74 -1.014 -1.526 0.871 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.690 -1.021 1.086 1.00 0.00 C ATOM 513 CE2 PHE A 74 -0.110 -2.294 0.162 1.00 0.00 C ATOM 514 CZ PHE A 74 1.243 -2.040 0.268 1.00 0.00 C ATOM 0 H PHE A 74 -1.930 -1.999 3.176 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.738 0.174 4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.544 0.246 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.270 1.381 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.137 0.540 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.071 -1.728 0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.748 -0.822 1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.462 -3.092 -0.475 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.951 -2.637 -0.288 1.00 0.00 H new ATOM 524 N GLU A 75 -4.024 0.504 4.151 1.00 0.00 N ATOM 525 CA GLU A 75 -5.182 1.198 4.702 1.00 0.00 C ATOM 526 C GLU A 75 -5.020 1.418 6.203 1.00 0.00 C ATOM 527 O GLU A 75 -5.504 2.408 6.751 1.00 0.00 O ATOM 528 CB GLU A 75 -6.459 0.402 4.427 1.00 0.00 C ATOM 529 CG GLU A 75 -7.725 1.106 4.886 1.00 0.00 C ATOM 530 CD GLU A 75 -8.817 0.136 5.294 1.00 0.00 C ATOM 531 OE1 GLU A 75 -8.683 -0.489 6.367 1.00 0.00 O ATOM 532 OE2 GLU A 75 -9.804 0.001 4.541 1.00 0.00 O ATOM 0 H GLU A 75 -4.243 -0.153 3.402 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.257 2.171 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.531 0.204 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.389 -0.565 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.489 1.757 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.093 1.744 4.083 1.00 0.00 H new ATOM 539 N GLU A 76 -4.336 0.487 6.862 1.00 0.00 N ATOM 540 CA GLU A 76 -4.112 0.579 8.300 1.00 0.00 C ATOM 541 C GLU A 76 -3.084 1.660 8.622 1.00 0.00 C ATOM 542 O GLU A 76 -3.318 2.521 9.471 1.00 0.00 O ATOM 543 CB GLU A 76 -3.643 -0.768 8.852 1.00 0.00 C ATOM 544 CG GLU A 76 -3.796 -0.896 10.358 1.00 0.00 C ATOM 545 CD GLU A 76 -3.570 -2.312 10.850 1.00 0.00 C ATOM 546 OE1 GLU A 76 -4.166 -3.243 10.270 1.00 0.00 O ATOM 547 OE2 GLU A 76 -2.797 -2.489 11.815 1.00 0.00 O ATOM 0 H GLU A 76 -3.928 -0.338 6.423 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.056 0.848 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.208 -1.565 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.596 -0.914 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.089 -0.228 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.795 -0.570 10.647 1.00 0.00 H new ATOM 554 N PHE A 77 -1.945 1.607 7.940 1.00 0.00 N ATOM 555 CA PHE A 77 -0.880 2.580 8.154 1.00 0.00 C ATOM 556 C PHE A 77 -1.298 3.962 7.660 1.00 0.00 C ATOM 557 O PHE A 77 -1.094 4.965 8.342 1.00 0.00 O ATOM 558 CB PHE A 77 0.397 2.135 7.439 1.00 0.00 C ATOM 559 CG PHE A 77 1.295 1.283 8.290 1.00 0.00 C ATOM 560 CD1 PHE A 77 1.969 1.828 9.370 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.465 -0.063 8.009 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.796 1.047 10.156 1.00 0.00 C ATOM 563 CE2 PHE A 77 2.290 -0.850 8.791 1.00 0.00 C ATOM 564 CZ PHE A 77 2.957 -0.294 9.865 1.00 0.00 C ATOM 0 H PHE A 77 -1.736 0.901 7.234 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.687 2.640 9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.126 1.579 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.948 3.017 7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.847 2.876 9.601 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.947 -0.503 7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.315 1.484 10.996 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.413 -1.898 8.562 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.603 -0.906 10.476 1.00 0.00 H new ATOM 574 N GLY A 78 -1.884 4.005 6.467 1.00 0.00 N ATOM 575 CA GLY A 78 -2.321 5.268 5.900 1.00 0.00 C ATOM 576 C GLY A 78 -3.634 5.144 5.153 1.00 0.00 C ATOM 577 O GLY A 78 -4.040 4.046 4.772 1.00 0.00 O ATOM 0 H GLY A 78 -2.064 3.188 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.428 6.003 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.555 5.643 5.222 1.00 0.00 H new ATOM 581 N LYS A 79 -4.302 6.274 4.944 1.00 0.00 N ATOM 582 CA LYS A 79 -5.577 6.289 4.238 1.00 0.00 C ATOM 583 C LYS A 79 -5.364 6.240 2.728 1.00 0.00 C ATOM 584 O LYS A 79 -5.274 7.277 2.071 1.00 0.00 O ATOM 585 CB LYS A 79 -6.375 7.541 4.610 1.00 0.00 C ATOM 586 CG LYS A 79 -7.804 7.527 4.097 1.00 0.00 C ATOM 587 CD LYS A 79 -8.721 6.745 5.023 1.00 0.00 C ATOM 588 CE LYS A 79 -10.182 7.093 4.785 1.00 0.00 C ATOM 589 NZ LYS A 79 -11.009 6.881 6.005 1.00 0.00 N ATOM 0 H LYS A 79 -3.981 7.191 5.254 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.139 5.404 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.389 7.644 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.864 8.418 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.168 8.550 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.830 7.086 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.571 5.677 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.460 6.957 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.261 8.133 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.573 6.482 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.998 7.129 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.955 5.883 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.652 7.482 6.775 1.00 0.00 H new ATOM 603 N ILE A 80 -5.287 5.030 2.185 1.00 0.00 N ATOM 604 CA ILE A 80 -5.088 4.846 0.753 1.00 0.00 C ATOM 605 C ILE A 80 -5.932 5.830 -0.050 1.00 0.00 C ATOM 606 O ILE A 80 -6.979 6.286 0.412 1.00 0.00 O ATOM 607 CB ILE A 80 -5.436 3.411 0.315 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.569 2.401 1.069 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.253 3.257 -1.187 1.00 0.00 C ATOM 610 CD1 ILE A 80 -5.147 1.003 1.085 1.00 0.00 C ATOM 0 H ILE A 80 -5.359 4.162 2.716 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.032 5.031 0.555 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.481 3.216 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.580 2.371 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.437 2.743 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.503 2.238 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.908 3.956 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.216 3.467 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.480 0.340 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.124 1.019 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.254 0.642 0.062 1.00 0.00 H new ATOM 622 N TYR A 81 -5.472 6.150 -1.254 1.00 0.00 N ATOM 623 CA TYR A 81 -6.185 7.080 -2.122 1.00 0.00 C ATOM 624 C TYR A 81 -6.717 6.369 -3.362 1.00 0.00 C ATOM 625 O TYR A 81 -7.783 6.707 -3.875 1.00 0.00 O ATOM 626 CB TYR A 81 -5.267 8.232 -2.534 1.00 0.00 C ATOM 627 CG TYR A 81 -5.815 9.067 -3.669 1.00 0.00 C ATOM 628 CD1 TYR A 81 -5.634 8.682 -4.992 1.00 0.00 C ATOM 629 CD2 TYR A 81 -6.516 10.240 -3.419 1.00 0.00 C ATOM 630 CE1 TYR A 81 -6.133 9.443 -6.032 1.00 0.00 C ATOM 631 CE2 TYR A 81 -7.019 11.006 -4.452 1.00 0.00 C ATOM 632 CZ TYR A 81 -6.825 10.603 -5.757 1.00 0.00 C ATOM 633 OH TYR A 81 -7.324 11.363 -6.790 1.00 0.00 O ATOM 0 H TYR A 81 -4.609 5.779 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.032 7.481 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.095 8.875 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.299 7.827 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.094 7.773 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.670 10.558 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.982 9.131 -7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.561 11.916 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.786 12.147 -6.426 1.00 0.00 H new ATOM 643 N GLU A 82 -5.965 5.382 -3.838 1.00 0.00 N ATOM 644 CA GLU A 82 -6.360 4.622 -5.019 1.00 0.00 C ATOM 645 C GLU A 82 -5.390 3.473 -5.276 1.00 0.00 C ATOM 646 O GLU A 82 -4.225 3.692 -5.613 1.00 0.00 O ATOM 647 CB GLU A 82 -6.421 5.537 -6.244 1.00 0.00 C ATOM 648 CG GLU A 82 -6.764 4.807 -7.532 1.00 0.00 C ATOM 649 CD GLU A 82 -6.876 5.742 -8.720 1.00 0.00 C ATOM 650 OE1 GLU A 82 -5.884 6.439 -9.021 1.00 0.00 O ATOM 651 OE2 GLU A 82 -7.954 5.778 -9.349 1.00 0.00 O ATOM 0 H GLU A 82 -5.079 5.090 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.350 4.204 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.163 6.316 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.459 6.035 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.999 4.057 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.706 4.274 -7.404 1.00 0.00 H new ATOM 658 N LEU A 83 -5.877 2.248 -5.115 1.00 0.00 N ATOM 659 CA LEU A 83 -5.054 1.063 -5.329 1.00 0.00 C ATOM 660 C LEU A 83 -5.285 0.484 -6.722 1.00 0.00 C ATOM 661 O LEU A 83 -6.415 0.441 -7.209 1.00 0.00 O ATOM 662 CB LEU A 83 -5.362 0.005 -4.268 1.00 0.00 C ATOM 663 CG LEU A 83 -4.596 -1.313 -4.392 1.00 0.00 C ATOM 664 CD1 LEU A 83 -3.120 -1.102 -4.094 1.00 0.00 C ATOM 665 CD2 LEU A 83 -5.186 -2.362 -3.460 1.00 0.00 C ATOM 0 H LEU A 83 -6.838 2.049 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.008 1.358 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.154 0.432 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.429 -0.214 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.691 -1.672 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.591 -2.050 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.705 -0.384 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.005 -0.720 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.629 -3.293 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.122 -2.011 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.230 -2.534 -3.720 1.00 0.00 H new ATOM 677 N THR A 84 -4.206 0.037 -7.357 1.00 0.00 N ATOM 678 CA THR A 84 -4.290 -0.540 -8.693 1.00 0.00 C ATOM 679 C THR A 84 -3.224 -1.611 -8.897 1.00 0.00 C ATOM 680 O THR A 84 -2.033 -1.309 -8.973 1.00 0.00 O ATOM 681 CB THR A 84 -4.135 0.538 -9.782 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.252 1.432 -9.749 1.00 0.00 O ATOM 683 CG2 THR A 84 -4.027 -0.097 -11.160 1.00 0.00 C ATOM 0 H THR A 84 -3.264 0.064 -6.967 1.00 0.00 H new ATOM 0 HA THR A 84 -5.278 -0.993 -8.780 1.00 0.00 H new ATOM 0 HB THR A 84 -3.219 1.095 -9.583 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.145 2.115 -10.443 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.918 0.684 -11.913 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.158 -0.754 -11.191 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.927 -0.676 -11.365 1.00 0.00 H new ATOM 691 N VAL A 85 -3.660 -2.864 -8.987 1.00 0.00 N ATOM 692 CA VAL A 85 -2.742 -3.980 -9.184 1.00 0.00 C ATOM 693 C VAL A 85 -2.106 -3.929 -10.569 1.00 0.00 C ATOM 694 O VAL A 85 -2.783 -3.678 -11.567 1.00 0.00 O ATOM 695 CB VAL A 85 -3.458 -5.332 -9.010 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.497 -6.482 -9.268 1.00 0.00 C ATOM 697 CG2 VAL A 85 -4.067 -5.437 -7.620 1.00 0.00 C ATOM 0 H VAL A 85 -4.642 -3.131 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.964 -3.889 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.265 -5.393 -9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.021 -7.429 -9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.113 -6.414 -10.286 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.667 -6.428 -8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.569 -6.399 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.280 -5.354 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.789 -4.633 -7.478 1.00 0.00 H new ATOM 707 N LEU A 86 -0.800 -4.169 -10.623 1.00 0.00 N ATOM 708 CA LEU A 86 -0.071 -4.151 -11.886 1.00 0.00 C ATOM 709 C LEU A 86 -0.063 -5.534 -12.529 1.00 0.00 C ATOM 710 O LEU A 86 0.746 -6.392 -12.173 1.00 0.00 O ATOM 711 CB LEU A 86 1.365 -3.672 -11.661 1.00 0.00 C ATOM 712 CG LEU A 86 1.548 -2.166 -11.473 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.952 -1.857 -10.979 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.264 -1.428 -12.773 1.00 0.00 C ATOM 0 H LEU A 86 -0.225 -4.378 -9.807 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.577 -3.460 -12.560 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.762 -4.179 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.970 -3.988 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 86 0.837 -1.824 -10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.064 -0.780 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.120 -2.355 -10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.681 -2.213 -11.707 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.399 -0.357 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.951 -1.774 -13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.238 -1.623 -13.086 1.00 0.00 H new ATOM 726 N LYS A 87 -0.966 -5.744 -13.480 1.00 0.00 N ATOM 727 CA LYS A 87 -1.062 -7.021 -14.177 1.00 0.00 C ATOM 728 C LYS A 87 -1.202 -6.810 -15.682 1.00 0.00 C ATOM 729 O LYS A 87 -1.862 -5.872 -16.128 1.00 0.00 O ATOM 730 CB LYS A 87 -2.254 -7.824 -13.651 1.00 0.00 C ATOM 731 CG LYS A 87 -3.593 -7.344 -14.183 1.00 0.00 C ATOM 732 CD LYS A 87 -4.116 -6.159 -13.389 1.00 0.00 C ATOM 733 CE LYS A 87 -4.991 -6.608 -12.228 1.00 0.00 C ATOM 734 NZ LYS A 87 -5.936 -5.540 -11.800 1.00 0.00 N ATOM 0 H LYS A 87 -1.643 -5.045 -13.786 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.145 -7.579 -13.990 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.121 -8.872 -13.918 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.265 -7.771 -12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.490 -7.064 -15.231 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.316 -8.159 -14.141 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.277 -5.575 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.689 -5.504 -14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.553 -7.495 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.360 -6.893 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.514 -5.885 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.399 -4.702 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.556 -5.286 -12.595 1.00 0.00 H new ATOM 748 N ASP A 88 -0.579 -7.690 -16.458 1.00 0.00 N ATOM 749 CA ASP A 88 -0.636 -7.602 -17.912 1.00 0.00 C ATOM 750 C ASP A 88 -1.861 -8.332 -18.453 1.00 0.00 C ATOM 751 O ASP A 88 -2.603 -8.963 -17.699 1.00 0.00 O ATOM 752 CB ASP A 88 0.636 -8.186 -18.530 1.00 0.00 C ATOM 753 CG ASP A 88 1.015 -7.502 -19.828 1.00 0.00 C ATOM 754 OD1 ASP A 88 1.224 -6.271 -19.812 1.00 0.00 O ATOM 755 OD2 ASP A 88 1.105 -8.198 -20.861 1.00 0.00 O ATOM 0 H ASP A 88 -0.029 -8.472 -16.104 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.713 -6.550 -18.185 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.458 -8.092 -17.820 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.492 -9.251 -18.712 1.00 0.00 H new ATOM 760 N ARG A 89 -2.068 -8.241 -19.763 1.00 0.00 N ATOM 761 CA ARG A 89 -3.204 -8.891 -20.404 1.00 0.00 C ATOM 762 C ARG A 89 -2.745 -9.766 -21.567 1.00 0.00 C ATOM 763 O ARG A 89 -3.559 -10.398 -22.241 1.00 0.00 O ATOM 764 CB ARG A 89 -4.203 -7.845 -20.902 1.00 0.00 C ATOM 765 CG ARG A 89 -3.617 -6.880 -21.919 1.00 0.00 C ATOM 766 CD ARG A 89 -4.687 -5.971 -22.505 1.00 0.00 C ATOM 767 NE ARG A 89 -5.726 -6.727 -23.200 1.00 0.00 N ATOM 768 CZ ARG A 89 -6.477 -6.221 -24.172 1.00 0.00 C ATOM 769 NH1 ARG A 89 -6.304 -4.966 -24.562 1.00 0.00 N ATOM 770 NH2 ARG A 89 -7.402 -6.972 -24.756 1.00 0.00 N ATOM 0 H ARG A 89 -1.463 -7.723 -20.401 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.692 -9.526 -19.665 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.058 -8.354 -21.347 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.578 -7.278 -20.050 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.844 -6.275 -21.445 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.136 -7.441 -22.720 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.139 -5.382 -21.707 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.225 -5.267 -23.198 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.883 -7.696 -22.924 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.593 -4.387 -24.116 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.882 -4.580 -25.309 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.537 -7.938 -24.459 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.978 -6.583 -25.502 1.00 0.00 H new ATOM 784 N PHE A 90 -1.437 -9.797 -21.797 1.00 0.00 N ATOM 785 CA PHE A 90 -0.869 -10.592 -22.879 1.00 0.00 C ATOM 786 C PHE A 90 -0.091 -11.784 -22.328 1.00 0.00 C ATOM 787 O PHE A 90 -0.470 -12.938 -22.536 1.00 0.00 O ATOM 788 CB PHE A 90 0.047 -9.729 -23.749 1.00 0.00 C ATOM 789 CG PHE A 90 -0.689 -8.932 -24.788 1.00 0.00 C ATOM 790 CD1 PHE A 90 -1.254 -7.708 -24.468 1.00 0.00 C ATOM 791 CD2 PHE A 90 -0.816 -9.407 -26.083 1.00 0.00 C ATOM 792 CE1 PHE A 90 -1.932 -6.973 -25.422 1.00 0.00 C ATOM 793 CE2 PHE A 90 -1.493 -8.676 -27.041 1.00 0.00 C ATOM 794 CZ PHE A 90 -2.051 -7.456 -26.710 1.00 0.00 C ATOM 0 H PHE A 90 -0.750 -9.280 -21.248 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.690 -10.967 -23.490 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.606 -9.047 -23.108 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.775 -10.371 -24.244 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.164 -7.324 -23.463 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.381 -10.360 -26.347 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.369 -6.021 -25.160 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.586 -9.058 -28.047 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.579 -6.882 -27.457 1.00 0.00 H new ATOM 804 N THR A 91 1.000 -11.497 -21.625 1.00 0.00 N ATOM 805 CA THR A 91 1.832 -12.543 -21.045 1.00 0.00 C ATOM 806 C THR A 91 2.182 -12.227 -19.596 1.00 0.00 C ATOM 807 O THR A 91 2.337 -13.130 -18.774 1.00 0.00 O ATOM 808 CB THR A 91 3.135 -12.733 -21.846 1.00 0.00 C ATOM 809 OG1 THR A 91 3.926 -13.770 -21.256 1.00 0.00 O ATOM 810 CG2 THR A 91 3.936 -11.440 -21.891 1.00 0.00 C ATOM 0 H THR A 91 1.328 -10.548 -21.444 1.00 0.00 H new ATOM 0 HA THR A 91 1.252 -13.465 -21.083 1.00 0.00 H new ATOM 0 HB THR A 91 2.871 -13.014 -22.866 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.751 -13.885 -21.772 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.851 -11.599 -22.462 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.342 -10.660 -22.368 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.190 -11.134 -20.876 1.00 0.00 H new ATOM 818 N GLY A 92 2.306 -10.940 -19.288 1.00 0.00 N ATOM 819 CA GLY A 92 2.636 -10.528 -17.936 1.00 0.00 C ATOM 820 C GLY A 92 1.429 -10.527 -17.019 1.00 0.00 C ATOM 821 O GLY A 92 1.303 -9.665 -16.150 1.00 0.00 O ATOM 0 H GLY A 92 2.184 -10.175 -19.951 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.396 -11.197 -17.531 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.071 -9.529 -17.960 1.00 0.00 H new ATOM 825 N MET A 93 0.538 -11.494 -17.215 1.00 0.00 N ATOM 826 CA MET A 93 -0.665 -11.600 -16.398 1.00 0.00 C ATOM 827 C MET A 93 -0.317 -11.594 -14.913 1.00 0.00 C ATOM 828 O MET A 93 -0.011 -12.636 -14.333 1.00 0.00 O ATOM 829 CB MET A 93 -1.434 -12.876 -16.748 1.00 0.00 C ATOM 830 CG MET A 93 -2.002 -12.876 -18.158 1.00 0.00 C ATOM 831 SD MET A 93 -2.973 -14.352 -18.516 1.00 0.00 S ATOM 832 CE MET A 93 -1.702 -15.613 -18.468 1.00 0.00 C ATOM 0 H MET A 93 0.627 -12.214 -17.932 1.00 0.00 H new ATOM 0 HA MET A 93 -1.294 -10.735 -16.609 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.771 -13.733 -16.632 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.250 -13.006 -16.037 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.627 -11.993 -18.294 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.184 -12.801 -18.875 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.074 -16.522 -18.940 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.820 -15.261 -19.003 1.00 0.00 H new ATOM 0 HE3 MET A 93 -1.438 -15.824 -17.432 1.00 0.00 H new ATOM 842 N HIS A 94 -0.365 -10.413 -14.304 1.00 0.00 N ATOM 843 CA HIS A 94 -0.054 -10.272 -12.886 1.00 0.00 C ATOM 844 C HIS A 94 1.439 -10.460 -12.635 1.00 0.00 C ATOM 845 O HIS A 94 1.842 -11.282 -11.812 1.00 0.00 O ATOM 846 CB HIS A 94 -0.853 -11.284 -12.064 1.00 0.00 C ATOM 847 CG HIS A 94 -1.120 -10.838 -10.659 1.00 0.00 C ATOM 848 ND1 HIS A 94 -0.121 -10.463 -9.786 1.00 0.00 N ATOM 849 CD2 HIS A 94 -2.282 -10.705 -9.978 1.00 0.00 C ATOM 850 CE1 HIS A 94 -0.657 -10.121 -8.628 1.00 0.00 C ATOM 851 NE2 HIS A 94 -1.968 -10.259 -8.718 1.00 0.00 N ATOM 0 H HIS A 94 -0.616 -9.541 -14.770 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.332 -9.264 -12.577 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.803 -11.475 -12.562 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.310 -12.229 -12.039 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.876 -10.451 -10.001 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.273 -10.911 -10.356 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.116 -9.786 -7.756 1.00 0.00 H new ATOM 859 N LYS A 95 2.255 -9.694 -13.350 1.00 0.00 N ATOM 860 CA LYS A 95 3.704 -9.775 -13.206 1.00 0.00 C ATOM 861 C LYS A 95 4.090 -10.115 -11.770 1.00 0.00 C ATOM 862 O LYS A 95 4.655 -11.174 -11.503 1.00 0.00 O ATOM 863 CB LYS A 95 4.353 -8.453 -13.621 1.00 0.00 C ATOM 864 CG LYS A 95 4.183 -8.128 -15.095 1.00 0.00 C ATOM 865 CD LYS A 95 4.297 -6.635 -15.353 1.00 0.00 C ATOM 866 CE LYS A 95 3.102 -5.879 -14.794 1.00 0.00 C ATOM 867 NZ LYS A 95 2.845 -4.616 -15.539 1.00 0.00 N ATOM 0 H LYS A 95 1.938 -9.009 -14.036 1.00 0.00 H new ATOM 0 HA LYS A 95 4.065 -10.570 -13.858 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.924 -7.645 -13.028 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.417 -8.491 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.939 -8.657 -15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.211 -8.484 -15.438 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.213 -6.256 -14.900 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.373 -6.455 -16.425 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.217 -6.514 -14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.276 -5.651 -13.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.023 -4.131 -15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.679 -3.999 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.653 -4.835 -16.537 1.00 0.00 H new ATOM 881 N GLY A 96 3.779 -9.208 -10.848 1.00 0.00 N ATOM 882 CA GLY A 96 4.099 -9.431 -9.451 1.00 0.00 C ATOM 883 C GLY A 96 4.331 -8.138 -8.695 1.00 0.00 C ATOM 884 O GLY A 96 5.256 -8.040 -7.888 1.00 0.00 O ATOM 0 H GLY A 96 3.311 -8.323 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.286 -9.983 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.991 -10.054 -9.381 1.00 0.00 H new ATOM 888 N CYS A 97 3.491 -7.143 -8.957 1.00 0.00 N ATOM 889 CA CYS A 97 3.611 -5.847 -8.298 1.00 0.00 C ATOM 890 C CYS A 97 2.298 -5.074 -8.377 1.00 0.00 C ATOM 891 O CYS A 97 1.352 -5.503 -9.036 1.00 0.00 O ATOM 892 CB CYS A 97 4.737 -5.031 -8.933 1.00 0.00 C ATOM 893 SG CYS A 97 4.572 -4.810 -10.720 1.00 0.00 S ATOM 0 H CYS A 97 2.719 -7.209 -9.621 1.00 0.00 H new ATOM 0 HA CYS A 97 3.847 -6.021 -7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.773 -4.050 -8.458 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.688 -5.521 -8.725 1.00 0.00 H new ATOM 0 HG CYS A 97 5.666 -4.294 -11.196 1.00 0.00 H new ATOM 899 N ALA A 98 2.249 -3.932 -7.699 1.00 0.00 N ATOM 900 CA ALA A 98 1.053 -3.099 -7.692 1.00 0.00 C ATOM 901 C ALA A 98 1.392 -1.656 -7.334 1.00 0.00 C ATOM 902 O ALA A 98 2.377 -1.391 -6.644 1.00 0.00 O ATOM 903 CB ALA A 98 0.025 -3.659 -6.720 1.00 0.00 C ATOM 0 H ALA A 98 3.024 -3.563 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 98 0.629 -3.107 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.863 -3.027 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.248 -4.670 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.448 -3.682 -5.716 1.00 0.00 H new ATOM 909 N PHE A 99 0.569 -0.725 -7.807 1.00 0.00 N ATOM 910 CA PHE A 99 0.783 0.692 -7.538 1.00 0.00 C ATOM 911 C PHE A 99 -0.121 1.173 -6.407 1.00 0.00 C ATOM 912 O PHE A 99 -1.324 0.905 -6.401 1.00 0.00 O ATOM 913 CB PHE A 99 0.524 1.518 -8.799 1.00 0.00 C ATOM 914 CG PHE A 99 1.727 1.648 -9.688 1.00 0.00 C ATOM 915 CD1 PHE A 99 2.949 2.044 -9.169 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.637 1.375 -11.044 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.059 2.165 -9.984 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.743 1.494 -11.864 1.00 0.00 C ATOM 919 CZ PHE A 99 3.955 1.890 -11.333 1.00 0.00 C ATOM 0 H PHE A 99 -0.252 -0.927 -8.378 1.00 0.00 H new ATOM 0 HA PHE A 99 1.821 0.825 -7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.287 1.059 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.187 2.513 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.035 2.261 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.692 1.066 -11.465 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.006 2.474 -9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.660 1.278 -12.919 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.820 1.984 -11.972 1.00 0.00 H new ATOM 929 N LEU A 100 0.465 1.885 -5.451 1.00 0.00 N ATOM 930 CA LEU A 100 -0.287 2.404 -4.313 1.00 0.00 C ATOM 931 C LEU A 100 -0.168 3.923 -4.229 1.00 0.00 C ATOM 932 O LEU A 100 0.879 4.493 -4.536 1.00 0.00 O ATOM 933 CB LEU A 100 0.213 1.769 -3.014 1.00 0.00 C ATOM 934 CG LEU A 100 -0.579 2.112 -1.752 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.841 1.267 -1.668 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.281 1.913 -0.512 1.00 0.00 C ATOM 0 H LEU A 100 1.458 2.116 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.337 2.148 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.210 0.686 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.250 2.070 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.871 3.161 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.392 1.525 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.466 1.458 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.571 0.211 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.299 2.162 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.603 0.873 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.155 2.561 -0.568 1.00 0.00 H new ATOM 948 N THR A 101 -1.248 4.573 -3.808 1.00 0.00 N ATOM 949 CA THR A 101 -1.265 6.025 -3.682 1.00 0.00 C ATOM 950 C THR A 101 -1.726 6.451 -2.293 1.00 0.00 C ATOM 951 O THR A 101 -2.878 6.233 -1.916 1.00 0.00 O ATOM 952 CB THR A 101 -2.186 6.670 -4.736 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.756 6.303 -6.052 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.185 8.185 -4.601 1.00 0.00 C ATOM 0 H THR A 101 -2.123 4.117 -3.548 1.00 0.00 H new ATOM 0 HA THR A 101 -0.243 6.368 -3.844 1.00 0.00 H new ATOM 0 HB THR A 101 -3.201 6.307 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.347 6.715 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.842 8.618 -5.355 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.540 8.462 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.172 8.562 -4.742 1.00 0.00 H new ATOM 962 N TYR A 102 -0.820 7.059 -1.535 1.00 0.00 N ATOM 963 CA TYR A 102 -1.134 7.515 -0.186 1.00 0.00 C ATOM 964 C TYR A 102 -1.725 8.921 -0.209 1.00 0.00 C ATOM 965 O TYR A 102 -1.195 9.818 -0.866 1.00 0.00 O ATOM 966 CB TYR A 102 0.122 7.492 0.687 1.00 0.00 C ATOM 967 CG TYR A 102 0.336 6.178 1.405 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.521 5.770 2.420 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.396 5.345 1.068 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.328 4.572 3.079 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.595 4.144 1.720 1.00 0.00 C ATOM 972 CZ TYR A 102 0.731 3.762 2.725 1.00 0.00 C ATOM 973 OH TYR A 102 0.926 2.566 3.378 1.00 0.00 O ATOM 0 H TYR A 102 0.138 7.247 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.875 6.836 0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.991 7.702 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.057 8.293 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.352 6.401 2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.076 5.642 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.002 4.271 3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.423 3.507 1.444 1.00 0.00 H new ATOM 0 HH TYR A 102 0.117 2.332 3.880 1.00 0.00 H new ATOM 983 N CYS A 103 -2.825 9.105 0.512 1.00 0.00 N ATOM 984 CA CYS A 103 -3.490 10.401 0.576 1.00 0.00 C ATOM 985 C CYS A 103 -2.515 11.492 1.008 1.00 0.00 C ATOM 986 O CYS A 103 -2.536 12.602 0.477 1.00 0.00 O ATOM 987 CB CYS A 103 -4.672 10.344 1.544 1.00 0.00 C ATOM 988 SG CYS A 103 -6.172 9.625 0.836 1.00 0.00 S ATOM 0 H CYS A 103 -3.275 8.373 1.061 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.858 10.642 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.383 9.764 2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.894 11.354 1.889 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.299 8.397 1.243 1.00 0.00 H new ATOM 994 N GLU A 104 -1.663 11.167 1.976 1.00 0.00 N ATOM 995 CA GLU A 104 -0.683 12.121 2.480 1.00 0.00 C ATOM 996 C GLU A 104 0.731 11.712 2.077 1.00 0.00 C ATOM 997 O GLU A 104 0.988 10.549 1.767 1.00 0.00 O ATOM 998 CB GLU A 104 -0.779 12.228 4.004 1.00 0.00 C ATOM 999 CG GLU A 104 -2.125 12.733 4.494 1.00 0.00 C ATOM 1000 CD GLU A 104 -2.392 12.371 5.943 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -1.435 12.398 6.745 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -3.555 12.062 6.273 1.00 0.00 O ATOM 0 H GLU A 104 -1.632 10.252 2.426 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.901 13.094 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.587 11.248 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.003 12.897 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.166 13.816 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.915 12.317 3.868 1.00 0.00 H new ATOM 1009 N ARG A 105 1.644 12.678 2.083 1.00 0.00 N ATOM 1010 CA ARG A 105 3.032 12.420 1.716 1.00 0.00 C ATOM 1011 C ARG A 105 3.793 11.790 2.878 1.00 0.00 C ATOM 1012 O ARG A 105 4.539 10.829 2.695 1.00 0.00 O ATOM 1013 CB ARG A 105 3.718 13.719 1.286 1.00 0.00 C ATOM 1014 CG ARG A 105 5.153 13.525 0.826 1.00 0.00 C ATOM 1015 CD ARG A 105 5.633 14.701 -0.011 1.00 0.00 C ATOM 1016 NE ARG A 105 5.754 15.923 0.780 1.00 0.00 N ATOM 1017 CZ ARG A 105 6.565 16.926 0.463 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.323 16.852 -0.622 1.00 0.00 N ATOM 1019 NH2 ARG A 105 6.619 18.005 1.233 1.00 0.00 N ATOM 0 H ARG A 105 1.448 13.646 2.338 1.00 0.00 H new ATOM 0 HA ARG A 105 3.037 11.721 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.144 14.173 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.704 14.421 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.802 13.406 1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.229 12.607 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.599 14.460 -0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.937 14.869 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 105 5.185 16.011 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.284 16.023 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.945 17.624 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.038 18.065 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.242 18.775 0.989 1.00 0.00 H new ATOM 1033 N GLU A 106 3.600 12.340 4.073 1.00 0.00 N ATOM 1034 CA GLU A 106 4.271 11.833 5.264 1.00 0.00 C ATOM 1035 C GLU A 106 3.864 10.388 5.543 1.00 0.00 C ATOM 1036 O GLU A 106 4.714 9.509 5.681 1.00 0.00 O ATOM 1037 CB GLU A 106 3.942 12.709 6.474 1.00 0.00 C ATOM 1038 CG GLU A 106 4.555 12.210 7.772 1.00 0.00 C ATOM 1039 CD GLU A 106 6.059 12.397 7.817 1.00 0.00 C ATOM 1040 OE1 GLU A 106 6.528 13.514 7.515 1.00 0.00 O ATOM 1041 OE2 GLU A 106 6.767 11.425 8.154 1.00 0.00 O ATOM 0 H GLU A 106 2.985 13.136 4.242 1.00 0.00 H new ATOM 0 HA GLU A 106 5.346 11.863 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.292 13.724 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.859 12.762 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.102 12.739 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.320 11.153 7.898 1.00 0.00 H new ATOM 1048 N SER A 107 2.558 10.153 5.626 1.00 0.00 N ATOM 1049 CA SER A 107 2.038 8.817 5.893 1.00 0.00 C ATOM 1050 C SER A 107 2.795 7.768 5.085 1.00 0.00 C ATOM 1051 O SER A 107 3.055 6.665 5.567 1.00 0.00 O ATOM 1052 CB SER A 107 0.546 8.753 5.562 1.00 0.00 C ATOM 1053 OG SER A 107 0.296 9.205 4.243 1.00 0.00 O ATOM 0 H SER A 107 1.841 10.870 5.512 1.00 0.00 H new ATOM 0 HA SER A 107 2.178 8.604 6.953 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.190 7.729 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.013 9.363 6.271 1.00 0.00 H new ATOM 0 HG SER A 107 -0.669 9.198 4.072 1.00 0.00 H new ATOM 1059 N ALA A 108 3.147 8.119 3.852 1.00 0.00 N ATOM 1060 CA ALA A 108 3.876 7.209 2.977 1.00 0.00 C ATOM 1061 C ALA A 108 5.220 6.822 3.584 1.00 0.00 C ATOM 1062 O ALA A 108 5.640 5.667 3.503 1.00 0.00 O ATOM 1063 CB ALA A 108 4.076 7.842 1.607 1.00 0.00 C ATOM 0 H ALA A 108 2.939 9.027 3.437 1.00 0.00 H new ATOM 0 HA ALA A 108 3.284 6.301 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.622 7.152 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.105 8.062 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.644 8.766 1.713 1.00 0.00 H new ATOM 1069 N LEU A 109 5.891 7.794 4.192 1.00 0.00 N ATOM 1070 CA LEU A 109 7.189 7.555 4.814 1.00 0.00 C ATOM 1071 C LEU A 109 7.103 6.429 5.839 1.00 0.00 C ATOM 1072 O LEU A 109 7.889 5.482 5.804 1.00 0.00 O ATOM 1073 CB LEU A 109 7.698 8.832 5.484 1.00 0.00 C ATOM 1074 CG LEU A 109 7.640 10.104 4.637 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.096 11.307 5.448 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.491 9.950 3.385 1.00 0.00 C ATOM 0 H LEU A 109 5.558 8.755 4.268 1.00 0.00 H new ATOM 0 HA LEU A 109 7.889 7.258 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.118 8.998 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.731 8.670 5.790 1.00 0.00 H new ATOM 0 HG LEU A 109 6.606 10.268 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.048 12.203 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.446 11.429 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.122 11.152 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.438 10.864 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.526 9.761 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.119 9.114 2.793 1.00 0.00 H new ATOM 1088 N LYS A 110 6.141 6.536 6.749 1.00 0.00 N ATOM 1089 CA LYS A 110 5.948 5.526 7.783 1.00 0.00 C ATOM 1090 C LYS A 110 5.813 4.137 7.167 1.00 0.00 C ATOM 1091 O LYS A 110 6.631 3.254 7.419 1.00 0.00 O ATOM 1092 CB LYS A 110 4.706 5.850 8.616 1.00 0.00 C ATOM 1093 CG LYS A 110 4.803 7.166 9.367 1.00 0.00 C ATOM 1094 CD LYS A 110 3.918 7.171 10.602 1.00 0.00 C ATOM 1095 CE LYS A 110 4.580 6.448 11.765 1.00 0.00 C ATOM 1096 NZ LYS A 110 3.591 6.046 12.803 1.00 0.00 N ATOM 0 H LYS A 110 5.482 7.313 6.792 1.00 0.00 H new ATOM 0 HA LYS A 110 6.824 5.533 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.836 5.879 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.539 5.045 9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.838 7.343 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.513 7.984 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.698 8.199 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.966 6.694 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.098 5.563 11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.334 7.095 12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.081 5.556 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.114 6.892 13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.886 5.408 12.382 1.00 0.00 H new ATOM 1110 N ALA A 111 4.775 3.952 6.358 1.00 0.00 N ATOM 1111 CA ALA A 111 4.535 2.672 5.704 1.00 0.00 C ATOM 1112 C ALA A 111 5.758 2.222 4.912 1.00 0.00 C ATOM 1113 O ALA A 111 6.062 1.031 4.846 1.00 0.00 O ATOM 1114 CB ALA A 111 3.319 2.764 4.793 1.00 0.00 C ATOM 0 H ALA A 111 4.087 4.673 6.140 1.00 0.00 H new ATOM 0 HA ALA A 111 4.341 1.928 6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.152 1.801 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.442 3.032 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.491 3.525 4.032 1.00 0.00 H new ATOM 1120 N GLN A 112 6.455 3.182 4.313 1.00 0.00 N ATOM 1121 CA GLN A 112 7.645 2.883 3.524 1.00 0.00 C ATOM 1122 C GLN A 112 8.675 2.128 4.358 1.00 0.00 C ATOM 1123 O GLN A 112 9.069 1.013 4.016 1.00 0.00 O ATOM 1124 CB GLN A 112 8.259 4.173 2.979 1.00 0.00 C ATOM 1125 CG GLN A 112 7.736 4.563 1.606 1.00 0.00 C ATOM 1126 CD GLN A 112 8.762 5.317 0.783 1.00 0.00 C ATOM 1127 OE1 GLN A 112 9.767 4.751 0.353 1.00 0.00 O ATOM 1128 NE2 GLN A 112 8.513 6.602 0.560 1.00 0.00 N ATOM 0 H GLN A 112 6.217 4.173 4.359 1.00 0.00 H new ATOM 0 HA GLN A 112 7.347 2.250 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.059 4.985 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 112 9.341 4.057 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.434 3.665 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.845 5.180 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.667 7.030 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.168 7.161 0.013 1.00 0.00 H new ATOM 1137 N SER A 113 9.108 2.744 5.454 1.00 0.00 N ATOM 1138 CA SER A 113 10.096 2.132 6.335 1.00 0.00 C ATOM 1139 C SER A 113 9.458 1.047 7.196 1.00 0.00 C ATOM 1140 O SER A 113 10.143 0.165 7.712 1.00 0.00 O ATOM 1141 CB SER A 113 10.742 3.194 7.227 1.00 0.00 C ATOM 1142 OG SER A 113 11.492 4.118 6.458 1.00 0.00 O ATOM 0 H SER A 113 8.790 3.666 5.753 1.00 0.00 H new ATOM 0 HA SER A 113 10.865 1.673 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.970 3.723 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.391 2.713 7.958 1.00 0.00 H new ATOM 0 HG SER A 113 11.893 4.787 7.051 1.00 0.00 H new ATOM 1148 N ALA A 114 8.139 1.120 7.348 1.00 0.00 N ATOM 1149 CA ALA A 114 7.407 0.144 8.145 1.00 0.00 C ATOM 1150 C ALA A 114 7.215 -1.159 7.377 1.00 0.00 C ATOM 1151 O ALA A 114 7.113 -2.233 7.972 1.00 0.00 O ATOM 1152 CB ALA A 114 6.060 0.712 8.568 1.00 0.00 C ATOM 0 H ALA A 114 7.556 1.845 6.929 1.00 0.00 H new ATOM 0 HA ALA A 114 7.994 -0.073 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.524 -0.028 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.215 1.612 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.475 0.959 7.682 1.00 0.00 H new ATOM 1158 N LEU A 115 7.168 -1.059 6.053 1.00 0.00 N ATOM 1159 CA LEU A 115 6.988 -2.231 5.203 1.00 0.00 C ATOM 1160 C LEU A 115 8.304 -2.632 4.544 1.00 0.00 C ATOM 1161 O LEU A 115 8.727 -3.785 4.630 1.00 0.00 O ATOM 1162 CB LEU A 115 5.932 -1.952 4.133 1.00 0.00 C ATOM 1163 CG LEU A 115 4.476 -1.997 4.598 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.560 -1.387 3.548 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.059 -3.428 4.906 1.00 0.00 C ATOM 0 H LEU A 115 7.252 -0.179 5.545 1.00 0.00 H new ATOM 0 HA LEU A 115 6.651 -3.056 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.126 -0.967 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.058 -2.677 3.329 1.00 0.00 H new ATOM 0 HG LEU A 115 4.388 -1.409 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.528 -1.428 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.844 -0.349 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.651 -1.946 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.020 -3.441 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.163 -4.038 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.695 -3.831 5.694 1.00 0.00 H new ATOM 1177 N HIS A 116 8.947 -1.672 3.886 1.00 0.00 N ATOM 1178 CA HIS A 116 10.216 -1.925 3.214 1.00 0.00 C ATOM 1179 C HIS A 116 11.129 -2.785 4.082 1.00 0.00 C ATOM 1180 O HIS A 116 11.371 -2.469 5.247 1.00 0.00 O ATOM 1181 CB HIS A 116 10.910 -0.605 2.876 1.00 0.00 C ATOM 1182 CG HIS A 116 12.084 -0.763 1.959 1.00 0.00 C ATOM 1183 ND1 HIS A 116 11.970 -1.215 0.662 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.401 -0.523 2.158 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.167 -1.249 0.103 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.053 -0.834 0.990 1.00 0.00 N ATOM 0 H HIS A 116 8.610 -0.713 3.804 1.00 0.00 H new ATOM 0 HA HIS A 116 10.008 -2.465 2.290 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.187 0.068 2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.242 -0.132 3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.855 -0.155 3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.384 -1.563 -0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.058 -0.757 0.833 1.00 0.00 H new ATOM 1194 N GLU A 117 11.631 -3.874 3.508 1.00 0.00 N ATOM 1195 CA GLU A 117 12.516 -4.779 4.231 1.00 0.00 C ATOM 1196 C GLU A 117 12.085 -4.912 5.689 1.00 0.00 C ATOM 1197 O GLU A 117 12.913 -4.859 6.598 1.00 0.00 O ATOM 1198 CB GLU A 117 13.961 -4.282 4.158 1.00 0.00 C ATOM 1199 CG GLU A 117 14.584 -4.422 2.779 1.00 0.00 C ATOM 1200 CD GLU A 117 16.100 -4.418 2.821 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.677 -3.424 3.309 1.00 0.00 O ATOM 1202 OE2 GLU A 117 16.709 -5.409 2.366 1.00 0.00 O ATOM 0 H GLU A 117 11.440 -4.150 2.545 1.00 0.00 H new ATOM 0 HA GLU A 117 12.453 -5.760 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.991 -3.234 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.564 -4.836 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.239 -5.349 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 117 14.240 -3.606 2.144 1.00 0.00 H new ATOM 1209 N GLN A 118 10.784 -5.083 5.902 1.00 0.00 N ATOM 1210 CA GLN A 118 10.243 -5.222 7.249 1.00 0.00 C ATOM 1211 C GLN A 118 9.327 -6.437 7.345 1.00 0.00 C ATOM 1212 O GLN A 118 9.437 -7.240 8.272 1.00 0.00 O ATOM 1213 CB GLN A 118 9.478 -3.959 7.646 1.00 0.00 C ATOM 1214 CG GLN A 118 9.501 -3.679 9.140 1.00 0.00 C ATOM 1215 CD GLN A 118 8.721 -4.705 9.938 1.00 0.00 C ATOM 1216 OE1 GLN A 118 9.255 -5.745 10.325 1.00 0.00 O ATOM 1217 NE2 GLN A 118 7.449 -4.418 10.190 1.00 0.00 N ATOM 0 H GLN A 118 10.086 -5.129 5.160 1.00 0.00 H new ATOM 0 HA GLN A 118 11.077 -5.364 7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.903 -3.105 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.443 -4.053 7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.534 -3.663 9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 118 9.087 -2.688 9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 118 7.046 -3.545 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 118 6.875 -5.071 10.723 1.00 0.00 H new ATOM 1226 N LYS A 119 8.421 -6.567 6.381 1.00 0.00 N ATOM 1227 CA LYS A 119 7.485 -7.684 6.355 1.00 0.00 C ATOM 1228 C LYS A 119 7.747 -8.585 5.152 1.00 0.00 C ATOM 1229 O LYS A 119 8.264 -8.138 4.128 1.00 0.00 O ATOM 1230 CB LYS A 119 6.045 -7.169 6.316 1.00 0.00 C ATOM 1231 CG LYS A 119 5.013 -8.263 6.103 1.00 0.00 C ATOM 1232 CD LYS A 119 3.636 -7.684 5.825 1.00 0.00 C ATOM 1233 CE LYS A 119 2.778 -8.648 5.019 1.00 0.00 C ATOM 1234 NZ LYS A 119 2.440 -9.873 5.796 1.00 0.00 N ATOM 0 H LYS A 119 8.316 -5.911 5.607 1.00 0.00 H new ATOM 0 HA LYS A 119 7.630 -8.269 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.827 -6.653 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.953 -6.433 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.318 -8.895 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.969 -8.900 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.140 -7.455 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.738 -6.745 5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.859 -8.147 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.306 -8.930 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.855 -10.504 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.315 -10.365 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.913 -9.607 6.652 1.00 0.00 H new ATOM 1248 N THR A 120 7.384 -9.858 5.281 1.00 0.00 N ATOM 1249 CA THR A 120 7.579 -10.821 4.205 1.00 0.00 C ATOM 1250 C THR A 120 6.270 -11.512 3.841 1.00 0.00 C ATOM 1251 O THR A 120 5.434 -11.776 4.707 1.00 0.00 O ATOM 1252 CB THR A 120 8.620 -11.890 4.589 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.802 -11.261 5.098 1.00 0.00 O ATOM 1254 CG2 THR A 120 8.976 -12.755 3.390 1.00 0.00 C ATOM 0 H THR A 120 6.953 -10.245 6.121 1.00 0.00 H new ATOM 0 HA THR A 120 7.944 -10.262 3.343 1.00 0.00 H new ATOM 0 HB THR A 120 8.187 -12.527 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.458 -11.947 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.712 -13.502 3.686 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.080 -13.255 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.392 -12.129 2.600 1.00 0.00 H new ATOM 1262 N LEU A 121 6.097 -11.803 2.557 1.00 0.00 N ATOM 1263 CA LEU A 121 4.888 -12.465 2.078 1.00 0.00 C ATOM 1264 C LEU A 121 5.031 -13.982 2.154 1.00 0.00 C ATOM 1265 O LEU A 121 6.134 -14.528 2.120 1.00 0.00 O ATOM 1266 CB LEU A 121 4.587 -12.041 0.640 1.00 0.00 C ATOM 1267 CG LEU A 121 4.064 -10.616 0.455 1.00 0.00 C ATOM 1268 CD1 LEU A 121 4.017 -10.251 -1.020 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.688 -10.466 1.088 1.00 0.00 C ATOM 0 H LEU A 121 6.778 -11.591 1.828 1.00 0.00 H new ATOM 0 HA LEU A 121 4.060 -12.164 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.498 -12.151 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.854 -12.732 0.225 1.00 0.00 H new ATOM 0 HG LEU A 121 4.749 -9.931 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.642 -9.234 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.019 -10.317 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.356 -10.941 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.332 -9.446 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.993 -11.162 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.752 -10.683 2.154 1.00 0.00 H new ATOM 1281 N PRO A 122 3.890 -14.679 2.258 1.00 0.00 N ATOM 1282 CA PRO A 122 3.862 -16.143 2.338 1.00 0.00 C ATOM 1283 C PRO A 122 4.261 -16.803 1.023 1.00 0.00 C ATOM 1284 O PRO A 122 3.481 -16.837 0.072 1.00 0.00 O ATOM 1285 CB PRO A 122 2.399 -16.451 2.669 1.00 0.00 C ATOM 1286 CG PRO A 122 1.637 -15.285 2.142 1.00 0.00 C ATOM 1287 CD PRO A 122 2.540 -14.093 2.304 1.00 0.00 C ATOM 0 HA PRO A 122 4.570 -16.525 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.074 -17.380 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.252 -16.567 3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.371 -15.434 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.706 -15.147 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.391 -13.365 1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.358 -13.576 3.246 1.00 0.00 H new ATOM 1295 N GLY A 123 5.482 -17.328 0.976 1.00 0.00 N ATOM 1296 CA GLY A 123 5.963 -17.981 -0.228 1.00 0.00 C ATOM 1297 C GLY A 123 7.005 -17.157 -0.957 1.00 0.00 C ATOM 1298 O GLY A 123 7.226 -17.342 -2.153 1.00 0.00 O ATOM 0 H GLY A 123 6.146 -17.313 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.388 -18.950 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 123 5.122 -18.171 -0.895 1.00 0.00 H new ATOM 1302 N MET A 124 7.646 -16.243 -0.236 1.00 0.00 N ATOM 1303 CA MET A 124 8.671 -15.387 -0.822 1.00 0.00 C ATOM 1304 C MET A 124 9.912 -15.340 0.063 1.00 0.00 C ATOM 1305 O MET A 124 9.917 -14.687 1.106 1.00 0.00 O ATOM 1306 CB MET A 124 8.125 -13.974 -1.033 1.00 0.00 C ATOM 1307 CG MET A 124 6.906 -13.921 -1.939 1.00 0.00 C ATOM 1308 SD MET A 124 6.847 -12.421 -2.937 1.00 0.00 S ATOM 1309 CE MET A 124 7.960 -12.857 -4.271 1.00 0.00 C ATOM 0 H MET A 124 7.474 -16.076 0.755 1.00 0.00 H new ATOM 0 HA MET A 124 8.952 -15.808 -1.787 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.866 -13.545 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.911 -13.350 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.909 -14.790 -2.597 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.003 -13.984 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.029 -12.027 -4.974 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.949 -13.071 -3.865 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.581 -13.739 -4.787 1.00 0.00 H new ATOM 1319 N ASN A 125 10.962 -16.036 -0.360 1.00 0.00 N ATOM 1320 CA ASN A 125 12.209 -16.073 0.396 1.00 0.00 C ATOM 1321 C ASN A 125 12.610 -14.674 0.853 1.00 0.00 C ATOM 1322 O ASN A 125 13.110 -14.491 1.963 1.00 0.00 O ATOM 1323 CB ASN A 125 13.326 -16.685 -0.452 1.00 0.00 C ATOM 1324 CG ASN A 125 14.530 -17.084 0.379 1.00 0.00 C ATOM 1325 OD1 ASN A 125 15.231 -16.233 0.926 1.00 0.00 O ATOM 1326 ND2 ASN A 125 14.775 -18.386 0.477 1.00 0.00 N ATOM 0 H ASN A 125 10.975 -16.582 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 125 12.051 -16.693 1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 125 12.943 -17.561 -0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.635 -15.969 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 125 15.571 -18.715 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 125 14.167 -19.056 0.006 1.00 0.00 H new ATOM 1333 N ARG A 126 12.388 -13.689 -0.012 1.00 0.00 N ATOM 1334 CA ARG A 126 12.726 -12.306 0.302 1.00 0.00 C ATOM 1335 C ARG A 126 11.488 -11.528 0.738 1.00 0.00 C ATOM 1336 O ARG A 126 10.357 -11.866 0.387 1.00 0.00 O ATOM 1337 CB ARG A 126 13.367 -11.628 -0.910 1.00 0.00 C ATOM 1338 CG ARG A 126 14.760 -12.144 -1.231 1.00 0.00 C ATOM 1339 CD ARG A 126 15.831 -11.351 -0.498 1.00 0.00 C ATOM 1340 NE ARG A 126 17.123 -11.418 -1.176 1.00 0.00 N ATOM 1341 CZ ARG A 126 17.442 -10.667 -2.224 1.00 0.00 C ATOM 1342 NH1 ARG A 126 16.569 -9.797 -2.711 1.00 0.00 N ATOM 1343 NH2 ARG A 126 18.638 -10.786 -2.787 1.00 0.00 N ATOM 0 H ARG A 126 11.976 -13.823 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 126 13.439 -12.311 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.725 -11.774 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.419 -10.554 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.832 -13.196 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.933 -12.084 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.518 -10.310 -0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.934 -11.734 0.517 1.00 0.00 H new ATOM 0 HE ARG A 126 17.818 -12.077 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.649 -9.703 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.817 -9.222 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.313 -11.454 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.882 -10.209 -3.592 1.00 0.00 H new ATOM 1357 N PRO A 127 11.705 -10.461 1.521 1.00 0.00 N ATOM 1358 CA PRO A 127 10.618 -9.613 2.021 1.00 0.00 C ATOM 1359 C PRO A 127 9.967 -8.791 0.914 1.00 0.00 C ATOM 1360 O PRO A 127 10.195 -9.038 -0.271 1.00 0.00 O ATOM 1361 CB PRO A 127 11.319 -8.696 3.027 1.00 0.00 C ATOM 1362 CG PRO A 127 12.737 -8.649 2.573 1.00 0.00 C ATOM 1363 CD PRO A 127 13.026 -9.999 1.978 1.00 0.00 C ATOM 0 HA PRO A 127 9.807 -10.201 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 127 10.873 -7.702 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.241 -9.088 4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 127 12.885 -7.858 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.407 -8.438 3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.735 -9.931 1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.457 -10.678 2.714 1.00 0.00 H new ATOM 1371 N ILE A 128 9.158 -7.814 1.307 1.00 0.00 N ATOM 1372 CA ILE A 128 8.476 -6.955 0.347 1.00 0.00 C ATOM 1373 C ILE A 128 9.198 -5.621 0.192 1.00 0.00 C ATOM 1374 O ILE A 128 9.581 -4.994 1.179 1.00 0.00 O ATOM 1375 CB ILE A 128 7.017 -6.690 0.766 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.336 -5.759 -0.240 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.968 -6.094 2.165 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.829 -5.729 -0.110 1.00 0.00 C ATOM 0 H ILE A 128 8.958 -7.597 2.284 1.00 0.00 H new ATOM 0 HA ILE A 128 8.482 -7.482 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 128 6.479 -7.638 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.724 -4.749 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.599 -6.073 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 128 5.931 -5.912 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.420 -6.789 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.518 -5.153 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.413 -5.049 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.430 -6.731 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.557 -5.386 0.888 1.00 0.00 H new ATOM 1390 N GLN A 129 9.379 -5.194 -1.053 1.00 0.00 N ATOM 1391 CA GLN A 129 10.055 -3.934 -1.338 1.00 0.00 C ATOM 1392 C GLN A 129 9.045 -2.822 -1.605 1.00 0.00 C ATOM 1393 O GLN A 129 8.026 -3.040 -2.260 1.00 0.00 O ATOM 1394 CB GLN A 129 10.989 -4.091 -2.539 1.00 0.00 C ATOM 1395 CG GLN A 129 12.406 -4.490 -2.161 1.00 0.00 C ATOM 1396 CD GLN A 129 13.367 -4.409 -3.330 1.00 0.00 C ATOM 1397 OE1 GLN A 129 13.163 -5.051 -4.361 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.422 -3.617 -3.177 1.00 0.00 N ATOM 0 H GLN A 129 9.067 -5.702 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 129 10.644 -3.662 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.577 -4.842 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 129 11.020 -3.151 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.760 -3.842 -1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.401 -5.507 -1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.552 -3.103 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.102 -3.522 -3.931 1.00 0.00 H new ATOM 1407 N VAL A 130 9.335 -1.630 -1.093 1.00 0.00 N ATOM 1408 CA VAL A 130 8.453 -0.484 -1.277 1.00 0.00 C ATOM 1409 C VAL A 130 9.249 0.777 -1.594 1.00 0.00 C ATOM 1410 O VAL A 130 9.968 1.301 -0.743 1.00 0.00 O ATOM 1411 CB VAL A 130 7.591 -0.233 -0.026 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.615 0.908 -0.270 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.851 -1.501 0.374 1.00 0.00 C ATOM 0 H VAL A 130 10.174 -1.433 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 130 7.800 -0.719 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 130 8.248 0.052 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 130 6.014 1.071 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.169 1.817 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.961 0.655 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.247 -1.306 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.204 -1.818 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.572 -2.289 0.593 1.00 0.00 H new ATOM 1423 N LYS A 131 9.115 1.261 -2.824 1.00 0.00 N ATOM 1424 CA LYS A 131 9.820 2.463 -3.255 1.00 0.00 C ATOM 1425 C LYS A 131 8.917 3.345 -4.111 1.00 0.00 C ATOM 1426 O LYS A 131 8.130 2.864 -4.926 1.00 0.00 O ATOM 1427 CB LYS A 131 11.077 2.087 -4.042 1.00 0.00 C ATOM 1428 CG LYS A 131 10.811 1.139 -5.198 1.00 0.00 C ATOM 1429 CD LYS A 131 12.053 0.345 -5.566 1.00 0.00 C ATOM 1430 CE LYS A 131 13.049 1.195 -6.341 1.00 0.00 C ATOM 1431 NZ LYS A 131 14.003 1.893 -5.436 1.00 0.00 N ATOM 0 H LYS A 131 8.524 0.839 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 131 10.109 3.023 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.539 2.996 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.796 1.627 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.006 0.454 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.471 1.707 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.525 -0.035 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.769 -0.521 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.603 0.563 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.511 1.931 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.002 2.911 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 13.715 1.746 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.960 1.510 -5.578 1.00 0.00 H new ATOM 1445 N PRO A 132 9.032 4.669 -3.924 1.00 0.00 N ATOM 1446 CA PRO A 132 8.236 5.646 -4.671 1.00 0.00 C ATOM 1447 C PRO A 132 8.638 5.720 -6.140 1.00 0.00 C ATOM 1448 O PRO A 132 9.819 5.837 -6.465 1.00 0.00 O ATOM 1449 CB PRO A 132 8.544 6.969 -3.965 1.00 0.00 C ATOM 1450 CG PRO A 132 9.885 6.766 -3.349 1.00 0.00 C ATOM 1451 CD PRO A 132 9.950 5.312 -2.968 1.00 0.00 C ATOM 0 HA PRO A 132 7.177 5.388 -4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.554 7.801 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.792 7.199 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.679 7.022 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.014 7.405 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.963 4.918 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.634 5.152 -1.937 1.00 0.00 H new ATOM 1459 N ALA A 133 7.648 5.651 -7.024 1.00 0.00 N ATOM 1460 CA ALA A 133 7.898 5.713 -8.458 1.00 0.00 C ATOM 1461 C ALA A 133 8.713 6.950 -8.821 1.00 0.00 C ATOM 1462 O ALA A 133 9.737 6.855 -9.498 1.00 0.00 O ATOM 1463 CB ALA A 133 6.584 5.701 -9.225 1.00 0.00 C ATOM 0 H ALA A 133 6.665 5.552 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 133 8.477 4.833 -8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.787 5.748 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.039 4.785 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.984 6.562 -8.932 1.00 0.00 H new