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 Set 1.1: A 116 HIS : no HD1:sc= -1.23 X(o=-3.6,f=-3.5) USER MOD Set 1.2: A 131 LYS NZ :NH3+ -160:sc= -2.37 (180deg=-3.18!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0095 X(o=-0.0095,f=-0.46) USER MOD Single : A 64 ASN : amide:sc= -0.822 K(o=-0.82,f=-0.082) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0182 (180deg=-0.212) 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 128:sc= 1.23 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -5.83! C(o=-5.8!,f=-5.8!) USER MOD Single : A 95 LYS NZ :NH3+ -130:sc= -0.377 (180deg=-2.82!) USER MOD Single : A 97 CYS SG : rot 166:sc= 0.131 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -140:sc= -2.2! USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -175:sc= -0.634 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -4.99! C(o=-5!,f=-4.1!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.9!) USER MOD Single : A 119 LYS NZ :NH3+ -123:sc= -4.27! (180deg=-7.32!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 156:sc= 0 (180deg=-0.538) USER MOD Single : A 125 ASN : amide:sc= -0.0563 X(o=-0.056,f=-0.5) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 1.485 10.538 -3.649 1.00 0.00 N ATOM 157 CA ILE A 54 2.637 9.873 -4.246 1.00 0.00 C ATOM 158 C ILE A 54 2.296 8.443 -4.652 1.00 0.00 C ATOM 159 O ILE A 54 1.552 7.749 -3.958 1.00 0.00 O ATOM 160 CB ILE A 54 3.836 9.848 -3.280 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.369 11.265 -3.058 1.00 0.00 C ATOM 162 CG2 ILE A 54 4.932 8.942 -3.819 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.411 11.355 -1.965 1.00 0.00 C ATOM 0 HA ILE A 54 2.908 10.446 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 54 3.503 9.451 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.799 11.633 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.536 11.923 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.772 8.935 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.545 7.929 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.265 9.312 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.743 12.388 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.980 11.018 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.262 10.724 -2.221 1.00 0.00 H new ATOM 175 N LYS A 55 2.846 8.007 -5.780 1.00 0.00 N ATOM 176 CA LYS A 55 2.605 6.658 -6.279 1.00 0.00 C ATOM 177 C LYS A 55 3.675 5.693 -5.779 1.00 0.00 C ATOM 178 O LYS A 55 4.778 5.638 -6.323 1.00 0.00 O ATOM 179 CB LYS A 55 2.575 6.656 -7.809 1.00 0.00 C ATOM 180 CG LYS A 55 2.396 5.273 -8.411 1.00 0.00 C ATOM 181 CD LYS A 55 2.341 5.329 -9.929 1.00 0.00 C ATOM 182 CE LYS A 55 3.692 5.699 -10.522 1.00 0.00 C ATOM 183 NZ LYS A 55 3.614 5.904 -11.995 1.00 0.00 N ATOM 0 H LYS A 55 3.463 8.569 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 55 1.638 6.326 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.763 7.299 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.503 7.089 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.219 4.630 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.479 4.825 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.024 4.362 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.594 6.059 -10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.060 6.609 -10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.413 4.911 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.555 6.155 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.287 5.028 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.945 6.673 -12.204 1.00 0.00 H new ATOM 197 N LEU A 56 3.342 4.934 -4.741 1.00 0.00 N ATOM 198 CA LEU A 56 4.275 3.969 -4.168 1.00 0.00 C ATOM 199 C LEU A 56 4.347 2.708 -5.023 1.00 0.00 C ATOM 200 O LEU A 56 3.322 2.128 -5.380 1.00 0.00 O ATOM 201 CB LEU A 56 3.855 3.609 -2.742 1.00 0.00 C ATOM 202 CG LEU A 56 4.179 4.645 -1.665 1.00 0.00 C ATOM 203 CD1 LEU A 56 3.470 4.301 -0.364 1.00 0.00 C ATOM 204 CD2 LEU A 56 5.682 4.736 -1.448 1.00 0.00 C ATOM 0 H LEU A 56 2.433 4.968 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 56 5.264 4.427 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.780 3.432 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.335 2.669 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 56 3.822 5.618 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.712 5.049 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.393 4.288 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.796 3.320 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.894 5.478 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.063 3.765 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.167 5.030 -2.379 1.00 0.00 H new ATOM 216 N PHE A 57 5.566 2.288 -5.347 1.00 0.00 N ATOM 217 CA PHE A 57 5.772 1.095 -6.159 1.00 0.00 C ATOM 218 C PHE A 57 6.120 -0.105 -5.283 1.00 0.00 C ATOM 219 O PHE A 57 7.152 -0.120 -4.612 1.00 0.00 O ATOM 220 CB PHE A 57 6.886 1.334 -7.181 1.00 0.00 C ATOM 221 CG PHE A 57 7.070 0.197 -8.144 1.00 0.00 C ATOM 222 CD1 PHE A 57 7.561 -1.024 -7.709 1.00 0.00 C ATOM 223 CD2 PHE A 57 6.752 0.348 -9.484 1.00 0.00 C ATOM 224 CE1 PHE A 57 7.732 -2.072 -8.593 1.00 0.00 C ATOM 225 CE2 PHE A 57 6.921 -0.697 -10.373 1.00 0.00 C ATOM 226 CZ PHE A 57 7.411 -1.909 -9.927 1.00 0.00 C ATOM 0 H PHE A 57 6.425 2.756 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 57 4.843 0.880 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.665 2.242 -7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.823 1.506 -6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.813 -1.158 -6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.368 1.293 -9.838 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.116 -3.018 -8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.670 -0.566 -11.415 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.543 -2.727 -10.619 1.00 0.00 H new ATOM 236 N ILE A 58 5.250 -1.110 -5.295 1.00 0.00 N ATOM 237 CA ILE A 58 5.464 -2.315 -4.503 1.00 0.00 C ATOM 238 C ILE A 58 5.929 -3.473 -5.379 1.00 0.00 C ATOM 239 O ILE A 58 5.308 -3.785 -6.394 1.00 0.00 O ATOM 240 CB ILE A 58 4.184 -2.732 -3.756 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.497 -1.506 -3.151 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.510 -3.750 -2.673 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.287 -0.860 -2.034 1.00 0.00 C ATOM 0 H ILE A 58 4.391 -1.113 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 58 6.240 -2.080 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 58 3.500 -3.194 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.327 -0.770 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.518 -1.799 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.595 -4.035 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.959 -4.633 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.210 -3.312 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.740 0.002 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.435 -1.580 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.256 -0.536 -2.414 1.00 0.00 H new ATOM 255 N GLY A 59 7.025 -4.109 -4.977 1.00 0.00 N ATOM 256 CA GLY A 59 7.554 -5.227 -5.736 1.00 0.00 C ATOM 257 C GLY A 59 7.683 -6.485 -4.900 1.00 0.00 C ATOM 258 O GLY A 59 7.291 -6.505 -3.734 1.00 0.00 O ATOM 0 H GLY A 59 7.556 -3.870 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.903 -5.425 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.531 -4.960 -6.138 1.00 0.00 H new ATOM 262 N GLN A 60 8.232 -7.538 -5.498 1.00 0.00 N ATOM 263 CA GLN A 60 8.409 -8.806 -4.801 1.00 0.00 C ATOM 264 C GLN A 60 7.081 -9.314 -4.250 1.00 0.00 C ATOM 265 O GLN A 60 6.957 -9.586 -3.056 1.00 0.00 O ATOM 266 CB GLN A 60 9.420 -8.650 -3.664 1.00 0.00 C ATOM 267 CG GLN A 60 10.862 -8.566 -4.139 1.00 0.00 C ATOM 268 CD GLN A 60 11.425 -9.917 -4.536 1.00 0.00 C ATOM 269 OE1 GLN A 60 11.232 -10.912 -3.838 1.00 0.00 O ATOM 270 NE2 GLN A 60 12.126 -9.957 -5.663 1.00 0.00 N ATOM 0 H GLN A 60 8.562 -7.538 -6.463 1.00 0.00 H new ATOM 0 HA GLN A 60 8.787 -9.536 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.180 -7.751 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.320 -9.494 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.921 -7.888 -4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.477 -8.139 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.261 -9.107 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.530 -10.838 -5.981 1.00 0.00 H new ATOM 279 N ILE A 61 6.092 -9.440 -5.128 1.00 0.00 N ATOM 280 CA ILE A 61 4.773 -9.916 -4.729 1.00 0.00 C ATOM 281 C ILE A 61 4.275 -11.008 -5.670 1.00 0.00 C ATOM 282 O ILE A 61 4.336 -10.883 -6.893 1.00 0.00 O ATOM 283 CB ILE A 61 3.745 -8.770 -4.700 1.00 0.00 C ATOM 284 CG1 ILE A 61 4.183 -7.688 -3.712 1.00 0.00 C ATOM 285 CG2 ILE A 61 2.368 -9.303 -4.336 1.00 0.00 C ATOM 286 CD1 ILE A 61 3.355 -6.424 -3.793 1.00 0.00 C ATOM 0 H ILE A 61 6.179 -9.219 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 61 4.876 -10.325 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 61 3.689 -8.326 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.124 -8.087 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.228 -7.440 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.652 -8.481 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.056 -10.041 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.407 -9.770 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.722 -5.701 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.433 -6.001 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.312 -6.658 -3.578 1.00 0.00 H new ATOM 298 N PRO A 62 3.767 -12.104 -5.088 1.00 0.00 N ATOM 299 CA PRO A 62 3.246 -13.239 -5.856 1.00 0.00 C ATOM 300 C PRO A 62 1.946 -12.901 -6.579 1.00 0.00 C ATOM 301 O PRO A 62 1.557 -11.736 -6.664 1.00 0.00 O ATOM 302 CB PRO A 62 3.001 -14.308 -4.789 1.00 0.00 C ATOM 303 CG PRO A 62 2.793 -13.543 -3.527 1.00 0.00 C ATOM 304 CD PRO A 62 3.662 -12.321 -3.635 1.00 0.00 C ATOM 0 HA PRO A 62 3.936 -13.551 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.130 -14.917 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.850 -14.986 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.745 -13.267 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.067 -14.141 -2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.214 -11.464 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.640 -12.482 -3.181 1.00 0.00 H new ATOM 312 N ARG A 63 1.279 -13.927 -7.097 1.00 0.00 N ATOM 313 CA ARG A 63 0.023 -13.738 -7.814 1.00 0.00 C ATOM 314 C ARG A 63 -1.116 -14.478 -7.118 1.00 0.00 C ATOM 315 O ARG A 63 -1.920 -15.148 -7.765 1.00 0.00 O ATOM 316 CB ARG A 63 0.156 -14.226 -9.257 1.00 0.00 C ATOM 317 CG ARG A 63 0.381 -15.724 -9.376 1.00 0.00 C ATOM 318 CD ARG A 63 1.863 -16.065 -9.396 1.00 0.00 C ATOM 319 NE ARG A 63 2.103 -17.437 -9.835 1.00 0.00 N ATOM 320 CZ ARG A 63 2.098 -17.812 -11.110 1.00 0.00 C ATOM 321 NH1 ARG A 63 1.866 -16.922 -12.065 1.00 0.00 N ATOM 322 NH2 ARG A 63 2.325 -19.079 -11.431 1.00 0.00 N ATOM 0 H ARG A 63 1.587 -14.897 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.207 -12.673 -7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.746 -13.958 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.986 -13.704 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.099 -16.233 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.091 -16.093 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.385 -15.376 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.281 -15.925 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 63 2.284 -18.146 -9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.691 -15.947 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.863 -17.212 -13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.504 -19.766 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.321 -19.366 -12.410 1.00 0.00 H new ATOM 336 N ASN A 64 -1.177 -14.352 -5.797 1.00 0.00 N ATOM 337 CA ASN A 64 -2.217 -15.010 -5.013 1.00 0.00 C ATOM 338 C ASN A 64 -2.856 -14.035 -4.030 1.00 0.00 C ATOM 339 O ASN A 64 -3.610 -14.436 -3.142 1.00 0.00 O ATOM 340 CB ASN A 64 -1.634 -16.206 -4.257 1.00 0.00 C ATOM 341 CG ASN A 64 -1.120 -15.826 -2.882 1.00 0.00 C ATOM 342 OD1 ASN A 64 -1.546 -16.385 -1.871 1.00 0.00 O ATOM 343 ND2 ASN A 64 -0.199 -14.870 -2.838 1.00 0.00 N ATOM 0 H ASN A 64 -0.519 -13.801 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.987 -15.362 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.399 -16.976 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.820 -16.639 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.184 -14.572 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.125 -14.434 -3.701 1.00 0.00 H new ATOM 350 N LEU A 65 -2.551 -12.752 -4.195 1.00 0.00 N ATOM 351 CA LEU A 65 -3.097 -11.718 -3.322 1.00 0.00 C ATOM 352 C LEU A 65 -4.268 -11.005 -3.990 1.00 0.00 C ATOM 353 O LEU A 65 -4.546 -11.217 -5.170 1.00 0.00 O ATOM 354 CB LEU A 65 -2.010 -10.706 -2.957 1.00 0.00 C ATOM 355 CG LEU A 65 -0.749 -11.279 -2.309 1.00 0.00 C ATOM 356 CD1 LEU A 65 0.299 -10.193 -2.127 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.083 -11.929 -0.975 1.00 0.00 C ATOM 0 H LEU A 65 -1.929 -12.403 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.459 -12.198 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.719 -10.173 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.440 -9.970 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.340 -12.043 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.189 -10.620 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.561 -9.773 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.100 -9.406 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.174 -12.331 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.517 -11.186 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.798 -12.737 -1.133 1.00 0.00 H new ATOM 369 N ASP A 66 -4.950 -10.157 -3.227 1.00 0.00 N ATOM 370 CA ASP A 66 -6.090 -9.410 -3.746 1.00 0.00 C ATOM 371 C ASP A 66 -6.084 -7.977 -3.222 1.00 0.00 C ATOM 372 O ASP A 66 -5.486 -7.688 -2.186 1.00 0.00 O ATOM 373 CB ASP A 66 -7.399 -10.101 -3.360 1.00 0.00 C ATOM 374 CG ASP A 66 -7.326 -11.607 -3.517 1.00 0.00 C ATOM 375 OD1 ASP A 66 -6.456 -12.229 -2.873 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.139 -12.163 -4.285 1.00 0.00 O ATOM 0 H ASP A 66 -4.733 -9.970 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.010 -9.382 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.644 -9.858 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.208 -9.713 -3.979 1.00 0.00 H new ATOM 381 N GLU A 67 -6.752 -7.084 -3.946 1.00 0.00 N ATOM 382 CA GLU A 67 -6.820 -5.681 -3.554 1.00 0.00 C ATOM 383 C GLU A 67 -7.457 -5.532 -2.176 1.00 0.00 C ATOM 384 O GLU A 67 -7.049 -4.686 -1.379 1.00 0.00 O ATOM 385 CB GLU A 67 -7.617 -4.879 -4.586 1.00 0.00 C ATOM 386 CG GLU A 67 -6.942 -4.795 -5.944 1.00 0.00 C ATOM 387 CD GLU A 67 -7.281 -5.971 -6.839 1.00 0.00 C ATOM 388 OE1 GLU A 67 -8.310 -5.904 -7.543 1.00 0.00 O ATOM 389 OE2 GLU A 67 -6.517 -6.959 -6.835 1.00 0.00 O ATOM 0 H GLU A 67 -7.253 -7.307 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.803 -5.292 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.601 -5.333 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.776 -3.870 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.241 -3.870 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.862 -4.748 -5.806 1.00 0.00 H new ATOM 396 N LYS A 68 -8.460 -6.359 -1.901 1.00 0.00 N ATOM 397 CA LYS A 68 -9.154 -6.321 -0.619 1.00 0.00 C ATOM 398 C LYS A 68 -8.324 -6.995 0.469 1.00 0.00 C ATOM 399 O LYS A 68 -8.639 -6.893 1.655 1.00 0.00 O ATOM 400 CB LYS A 68 -10.517 -7.007 -0.734 1.00 0.00 C ATOM 401 CG LYS A 68 -10.428 -8.513 -0.906 1.00 0.00 C ATOM 402 CD LYS A 68 -11.731 -9.196 -0.527 1.00 0.00 C ATOM 403 CE LYS A 68 -12.764 -9.081 -1.637 1.00 0.00 C ATOM 404 NZ LYS A 68 -14.130 -9.443 -1.165 1.00 0.00 N ATOM 0 H LYS A 68 -8.811 -7.064 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.301 -5.277 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.102 -6.786 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.057 -6.584 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.181 -8.748 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.619 -8.903 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.542 -10.248 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.125 -8.749 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.771 -8.061 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.482 -9.732 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.805 -9.352 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.130 -10.425 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.411 -8.806 -0.392 1.00 0.00 H new ATOM 418 N ASP A 69 -7.264 -7.682 0.058 1.00 0.00 N ATOM 419 CA ASP A 69 -6.388 -8.370 0.999 1.00 0.00 C ATOM 420 C ASP A 69 -5.104 -7.578 1.225 1.00 0.00 C ATOM 421 O ASP A 69 -4.415 -7.765 2.228 1.00 0.00 O ATOM 422 CB ASP A 69 -6.053 -9.771 0.484 1.00 0.00 C ATOM 423 CG ASP A 69 -7.048 -10.814 0.955 1.00 0.00 C ATOM 424 OD1 ASP A 69 -8.232 -10.464 1.139 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.642 -11.980 1.139 1.00 0.00 O ATOM 0 H ASP A 69 -6.991 -7.777 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.913 -8.456 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.032 -9.759 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.054 -10.049 0.819 1.00 0.00 H new ATOM 430 N LEU A 70 -4.788 -6.692 0.287 1.00 0.00 N ATOM 431 CA LEU A 70 -3.586 -5.871 0.383 1.00 0.00 C ATOM 432 C LEU A 70 -3.926 -4.463 0.860 1.00 0.00 C ATOM 433 O LEU A 70 -3.193 -3.870 1.652 1.00 0.00 O ATOM 434 CB LEU A 70 -2.879 -5.806 -0.972 1.00 0.00 C ATOM 435 CG LEU A 70 -2.072 -7.043 -1.368 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.547 -6.906 -2.789 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.926 -7.266 -0.393 1.00 0.00 C ATOM 0 H LEU A 70 -5.348 -6.524 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.919 -6.331 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.629 -5.624 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.210 -4.946 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.730 -7.911 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.975 -7.796 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.385 -6.796 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.904 -6.028 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.362 -8.150 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.268 -6.397 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.325 -7.411 0.611 1.00 0.00 H new ATOM 449 N LYS A 71 -5.043 -3.932 0.374 1.00 0.00 N ATOM 450 CA LYS A 71 -5.484 -2.595 0.753 1.00 0.00 C ATOM 451 C LYS A 71 -5.558 -2.456 2.270 1.00 0.00 C ATOM 452 O LYS A 71 -5.093 -1.475 2.851 1.00 0.00 O ATOM 453 CB LYS A 71 -6.850 -2.292 0.134 1.00 0.00 C ATOM 454 CG LYS A 71 -7.603 -1.177 0.840 1.00 0.00 C ATOM 455 CD LYS A 71 -8.943 -0.902 0.177 1.00 0.00 C ATOM 456 CE LYS A 71 -8.786 -0.018 -1.051 1.00 0.00 C ATOM 457 NZ LYS A 71 -8.441 1.384 -0.684 1.00 0.00 N ATOM 0 H LYS A 71 -5.660 -4.408 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.755 -1.878 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.713 -2.021 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.457 -3.197 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.761 -1.448 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.000 -0.269 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.409 -1.845 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.611 -0.420 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.008 -0.427 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.713 -0.026 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.606 2.007 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.036 1.691 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.440 1.434 -0.407 1.00 0.00 H new ATOM 471 N PRO A 72 -6.155 -3.460 2.929 1.00 0.00 N ATOM 472 CA PRO A 72 -6.302 -3.473 4.387 1.00 0.00 C ATOM 473 C PRO A 72 -5.000 -3.133 5.104 1.00 0.00 C ATOM 474 O PRO A 72 -4.949 -2.208 5.916 1.00 0.00 O ATOM 475 CB PRO A 72 -6.718 -4.915 4.689 1.00 0.00 C ATOM 476 CG PRO A 72 -7.378 -5.388 3.439 1.00 0.00 C ATOM 477 CD PRO A 72 -6.732 -4.660 2.300 1.00 0.00 C ATOM 0 HA PRO A 72 -7.019 -2.727 4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.855 -5.532 4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.399 -4.961 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.260 -6.466 3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.449 -5.186 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.965 -5.268 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.458 -4.398 1.530 1.00 0.00 H new ATOM 485 N LEU A 73 -3.949 -3.887 4.800 1.00 0.00 N ATOM 486 CA LEU A 73 -2.645 -3.665 5.415 1.00 0.00 C ATOM 487 C LEU A 73 -2.294 -2.181 5.427 1.00 0.00 C ATOM 488 O LEU A 73 -2.304 -1.538 6.478 1.00 0.00 O ATOM 489 CB LEU A 73 -1.566 -4.450 4.667 1.00 0.00 C ATOM 490 CG LEU A 73 -1.827 -5.946 4.489 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.798 -6.559 3.551 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.813 -6.654 5.835 1.00 0.00 C ATOM 0 H LEU A 73 -3.974 -4.657 4.132 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.693 -4.016 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.438 -4.004 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.622 -4.327 5.197 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.814 -6.073 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.999 -7.624 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.857 -6.072 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.200 -6.421 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.001 -7.718 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.840 -6.519 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.589 -6.234 6.475 1.00 0.00 H new ATOM 504 N PHE A 74 -1.985 -1.641 4.253 1.00 0.00 N ATOM 505 CA PHE A 74 -1.632 -0.232 4.127 1.00 0.00 C ATOM 506 C PHE A 74 -2.682 0.653 4.794 1.00 0.00 C ATOM 507 O PHE A 74 -2.352 1.524 5.599 1.00 0.00 O ATOM 508 CB PHE A 74 -1.489 0.151 2.653 1.00 0.00 C ATOM 509 CG PHE A 74 -0.509 -0.706 1.904 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.854 -0.482 2.014 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.951 -1.736 1.089 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.758 -1.269 1.326 1.00 0.00 C ATOM 513 CE2 PHE A 74 -0.052 -2.527 0.399 1.00 0.00 C ATOM 514 CZ PHE A 74 1.305 -2.292 0.517 1.00 0.00 C ATOM 0 H PHE A 74 -1.972 -2.159 3.374 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.677 -0.076 4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.464 0.080 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.175 1.193 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.214 0.317 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.010 -1.923 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.818 -1.084 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.409 -3.328 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.010 -2.907 -0.023 1.00 0.00 H new ATOM 524 N GLU A 75 -3.945 0.422 4.453 1.00 0.00 N ATOM 525 CA GLU A 75 -5.043 1.199 5.017 1.00 0.00 C ATOM 526 C GLU A 75 -4.814 1.464 6.502 1.00 0.00 C ATOM 527 O GLU A 75 -5.315 2.444 7.052 1.00 0.00 O ATOM 528 CB GLU A 75 -6.371 0.467 4.817 1.00 0.00 C ATOM 529 CG GLU A 75 -7.584 1.381 4.873 1.00 0.00 C ATOM 530 CD GLU A 75 -8.819 0.679 5.403 1.00 0.00 C ATOM 531 OE1 GLU A 75 -8.937 -0.548 5.202 1.00 0.00 O ATOM 532 OE2 GLU A 75 -9.668 1.357 6.019 1.00 0.00 O ATOM 0 H GLU A 75 -4.234 -0.297 3.789 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.083 2.156 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.354 -0.042 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.471 -0.303 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.359 2.239 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.790 1.767 3.875 1.00 0.00 H new ATOM 539 N GLU A 76 -4.054 0.583 7.144 1.00 0.00 N ATOM 540 CA GLU A 76 -3.760 0.721 8.566 1.00 0.00 C ATOM 541 C GLU A 76 -2.710 1.802 8.802 1.00 0.00 C ATOM 542 O GLU A 76 -2.820 2.596 9.737 1.00 0.00 O ATOM 543 CB GLU A 76 -3.274 -0.612 9.141 1.00 0.00 C ATOM 544 CG GLU A 76 -3.240 -0.643 10.660 1.00 0.00 C ATOM 545 CD GLU A 76 -2.296 -1.700 11.200 1.00 0.00 C ATOM 546 OE1 GLU A 76 -2.574 -2.901 11.002 1.00 0.00 O ATOM 547 OE2 GLU A 76 -1.279 -1.326 11.820 1.00 0.00 O ATOM 0 H GLU A 76 -3.631 -0.233 6.703 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.679 1.014 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.924 -1.411 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.274 -0.820 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.936 0.335 11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.245 -0.831 11.039 1.00 0.00 H new ATOM 554 N PHE A 77 -1.692 1.826 7.949 1.00 0.00 N ATOM 555 CA PHE A 77 -0.620 2.809 8.065 1.00 0.00 C ATOM 556 C PHE A 77 -1.058 4.159 7.505 1.00 0.00 C ATOM 557 O PHE A 77 -0.801 5.204 8.102 1.00 0.00 O ATOM 558 CB PHE A 77 0.630 2.320 7.330 1.00 0.00 C ATOM 559 CG PHE A 77 1.368 1.235 8.059 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.307 1.549 9.029 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.125 -0.099 7.775 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.988 0.552 9.703 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.802 -1.100 8.445 1.00 0.00 C ATOM 564 CZ PHE A 77 2.736 -0.774 9.410 1.00 0.00 C ATOM 0 H PHE A 77 -1.586 1.176 7.170 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.386 2.933 9.122 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.342 1.954 6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.302 3.163 7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.509 2.584 9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.397 -0.360 7.021 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.716 0.810 10.458 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.601 -2.136 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.268 -1.554 9.934 1.00 0.00 H new ATOM 574 N GLY A 78 -1.720 4.129 6.352 1.00 0.00 N ATOM 575 CA GLY A 78 -2.183 5.356 5.730 1.00 0.00 C ATOM 576 C GLY A 78 -3.557 5.208 5.108 1.00 0.00 C ATOM 577 O GLY A 78 -3.993 4.098 4.803 1.00 0.00 O ATOM 0 H GLY A 78 -1.944 3.277 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.209 6.150 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.471 5.662 4.963 1.00 0.00 H new ATOM 581 N LYS A 79 -4.244 6.331 4.921 1.00 0.00 N ATOM 582 CA LYS A 79 -5.577 6.323 4.332 1.00 0.00 C ATOM 583 C LYS A 79 -5.500 6.209 2.813 1.00 0.00 C ATOM 584 O LYS A 79 -5.712 7.187 2.096 1.00 0.00 O ATOM 585 CB LYS A 79 -6.336 7.594 4.721 1.00 0.00 C ATOM 586 CG LYS A 79 -7.844 7.463 4.599 1.00 0.00 C ATOM 587 CD LYS A 79 -8.543 8.784 4.875 1.00 0.00 C ATOM 588 CE LYS A 79 -10.007 8.737 4.464 1.00 0.00 C ATOM 589 NZ LYS A 79 -10.529 10.088 4.119 1.00 0.00 N ATOM 0 H LYS A 79 -3.899 7.258 5.169 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.112 5.455 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.085 7.857 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.999 8.416 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.100 7.117 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.202 6.708 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.469 9.021 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.038 9.584 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.123 8.073 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.599 8.315 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.529 10.014 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.442 10.715 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.981 10.480 3.327 1.00 0.00 H new ATOM 603 N ILE A 80 -5.198 5.009 2.329 1.00 0.00 N ATOM 604 CA ILE A 80 -5.096 4.767 0.895 1.00 0.00 C ATOM 605 C ILE A 80 -6.136 5.575 0.127 1.00 0.00 C ATOM 606 O ILE A 80 -7.264 5.752 0.587 1.00 0.00 O ATOM 607 CB ILE A 80 -5.273 3.274 0.562 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.210 2.439 1.279 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.202 3.055 -0.942 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.403 0.948 1.119 1.00 0.00 C ATOM 0 H ILE A 80 -5.020 4.189 2.909 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.098 5.082 0.591 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.255 2.953 0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.226 2.713 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.220 2.687 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.329 1.995 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.993 3.624 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.233 3.389 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.613 0.420 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.372 0.661 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.363 0.687 0.061 1.00 0.00 H new ATOM 622 N TYR A 81 -5.750 6.062 -1.047 1.00 0.00 N ATOM 623 CA TYR A 81 -6.649 6.851 -1.881 1.00 0.00 C ATOM 624 C TYR A 81 -7.088 6.061 -3.109 1.00 0.00 C ATOM 625 O TYR A 81 -8.221 6.192 -3.571 1.00 0.00 O ATOM 626 CB TYR A 81 -5.967 8.150 -2.314 1.00 0.00 C ATOM 627 CG TYR A 81 -6.698 8.879 -3.419 1.00 0.00 C ATOM 628 CD1 TYR A 81 -6.475 8.562 -4.753 1.00 0.00 C ATOM 629 CD2 TYR A 81 -7.613 9.883 -3.128 1.00 0.00 C ATOM 630 CE1 TYR A 81 -7.141 9.226 -5.765 1.00 0.00 C ATOM 631 CE2 TYR A 81 -8.284 10.552 -4.134 1.00 0.00 C ATOM 632 CZ TYR A 81 -8.044 10.220 -5.451 1.00 0.00 C ATOM 633 OH TYR A 81 -8.710 10.882 -6.456 1.00 0.00 O ATOM 0 H TYR A 81 -4.820 5.924 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.534 7.091 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.880 8.810 -1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.954 7.925 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.769 7.784 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.803 10.145 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.955 8.968 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.992 11.330 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.310 11.551 -6.065 1.00 0.00 H new ATOM 643 N GLU A 82 -6.183 5.239 -3.631 1.00 0.00 N ATOM 644 CA GLU A 82 -6.477 4.427 -4.806 1.00 0.00 C ATOM 645 C GLU A 82 -5.496 3.264 -4.923 1.00 0.00 C ATOM 646 O GLU A 82 -4.288 3.436 -4.756 1.00 0.00 O ATOM 647 CB GLU A 82 -6.422 5.284 -6.073 1.00 0.00 C ATOM 648 CG GLU A 82 -6.582 4.485 -7.355 1.00 0.00 C ATOM 649 CD GLU A 82 -5.257 3.999 -7.909 1.00 0.00 C ATOM 650 OE1 GLU A 82 -4.298 3.867 -7.120 1.00 0.00 O ATOM 651 OE2 GLU A 82 -5.178 3.751 -9.130 1.00 0.00 O ATOM 0 H GLU A 82 -5.241 5.118 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.483 4.022 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.207 6.039 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.470 5.814 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.229 3.628 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.080 5.102 -8.103 1.00 0.00 H new ATOM 658 N LEU A 83 -6.025 2.079 -5.209 1.00 0.00 N ATOM 659 CA LEU A 83 -5.197 0.886 -5.348 1.00 0.00 C ATOM 660 C LEU A 83 -5.394 0.242 -6.717 1.00 0.00 C ATOM 661 O LEU A 83 -6.524 0.030 -7.159 1.00 0.00 O ATOM 662 CB LEU A 83 -5.530 -0.121 -4.245 1.00 0.00 C ATOM 663 CG LEU A 83 -4.713 -1.414 -4.248 1.00 0.00 C ATOM 664 CD1 LEU A 83 -3.286 -1.144 -3.796 1.00 0.00 C ATOM 665 CD2 LEU A 83 -5.368 -2.460 -3.357 1.00 0.00 C ATOM 0 H LEU A 83 -7.023 1.919 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.153 1.186 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.395 0.369 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.585 -0.381 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.683 -1.801 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.719 -2.075 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.819 -0.429 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.296 -0.734 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.774 -3.374 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.429 -2.082 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.371 -2.674 -3.725 1.00 0.00 H new ATOM 677 N THR A 84 -4.287 -0.069 -7.384 1.00 0.00 N ATOM 678 CA THR A 84 -4.338 -0.690 -8.701 1.00 0.00 C ATOM 679 C THR A 84 -3.293 -1.792 -8.830 1.00 0.00 C ATOM 680 O THR A 84 -2.107 -1.569 -8.587 1.00 0.00 O ATOM 681 CB THR A 84 -4.115 0.347 -9.819 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.175 1.310 -9.813 1.00 0.00 O ATOM 683 CG2 THR A 84 -4.046 -0.331 -11.179 1.00 0.00 C ATOM 0 H THR A 84 -3.344 0.099 -7.033 1.00 0.00 H new ATOM 0 HA THR A 84 -5.333 -1.122 -8.809 1.00 0.00 H new ATOM 0 HB THR A 84 -3.167 0.851 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.796 2.213 -9.785 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.888 0.420 -11.953 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.220 -1.042 -11.190 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.981 -0.858 -11.371 1.00 0.00 H new ATOM 691 N VAL A 85 -3.741 -2.983 -9.215 1.00 0.00 N ATOM 692 CA VAL A 85 -2.844 -4.121 -9.379 1.00 0.00 C ATOM 693 C VAL A 85 -2.308 -4.198 -10.804 1.00 0.00 C ATOM 694 O VAL A 85 -3.005 -4.639 -11.719 1.00 0.00 O ATOM 695 CB VAL A 85 -3.550 -5.446 -9.036 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.639 -6.628 -9.329 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.994 -5.452 -7.581 1.00 0.00 C ATOM 0 H VAL A 85 -4.720 -3.185 -9.419 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.013 -3.971 -8.689 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.437 -5.538 -9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.155 -7.555 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.376 -6.631 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.732 -6.546 -8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.491 -6.396 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.124 -5.337 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.686 -4.628 -7.408 1.00 0.00 H new ATOM 707 N LEU A 86 -1.065 -3.766 -10.986 1.00 0.00 N ATOM 708 CA LEU A 86 -0.433 -3.786 -12.301 1.00 0.00 C ATOM 709 C LEU A 86 -0.449 -5.192 -12.892 1.00 0.00 C ATOM 710 O LEU A 86 0.454 -5.992 -12.646 1.00 0.00 O ATOM 711 CB LEU A 86 1.007 -3.278 -12.204 1.00 0.00 C ATOM 712 CG LEU A 86 1.175 -1.771 -12.007 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.574 -1.452 -11.504 1.00 0.00 C ATOM 714 CD2 LEU A 86 0.890 -1.028 -13.304 1.00 0.00 C ATOM 0 H LEU A 86 -0.475 -3.398 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.001 -3.129 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.496 -3.789 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.535 -3.567 -13.113 1.00 0.00 H new ATOM 0 HG LEU A 86 0.457 -1.440 -11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.676 -0.375 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.741 -1.954 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.309 -1.798 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.014 0.043 -13.145 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.584 -1.363 -14.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.132 -1.231 -13.622 1.00 0.00 H new ATOM 726 N LYS A 87 -1.482 -5.487 -13.674 1.00 0.00 N ATOM 727 CA LYS A 87 -1.616 -6.796 -14.304 1.00 0.00 C ATOM 728 C LYS A 87 -2.037 -6.656 -15.763 1.00 0.00 C ATOM 729 O LYS A 87 -2.896 -5.839 -16.096 1.00 0.00 O ATOM 730 CB LYS A 87 -2.637 -7.647 -13.546 1.00 0.00 C ATOM 731 CG LYS A 87 -4.025 -7.032 -13.498 1.00 0.00 C ATOM 732 CD LYS A 87 -5.102 -8.096 -13.366 1.00 0.00 C ATOM 733 CE LYS A 87 -5.277 -8.535 -11.921 1.00 0.00 C ATOM 734 NZ LYS A 87 -6.506 -9.356 -11.735 1.00 0.00 N ATOM 0 H LYS A 87 -2.239 -4.837 -13.887 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.645 -7.290 -14.270 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.700 -8.629 -14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.282 -7.803 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.089 -6.342 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.197 -6.449 -14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.047 -7.708 -13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.841 -8.958 -13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.405 -9.110 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.327 -7.656 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.589 -9.635 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.340 -8.799 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.448 -10.208 -12.329 1.00 0.00 H new ATOM 748 N ASP A 88 -1.428 -7.459 -16.629 1.00 0.00 N ATOM 749 CA ASP A 88 -1.742 -7.427 -18.053 1.00 0.00 C ATOM 750 C ASP A 88 -3.083 -8.100 -18.329 1.00 0.00 C ATOM 751 O ASP A 88 -3.740 -8.596 -17.413 1.00 0.00 O ATOM 752 CB ASP A 88 -0.637 -8.115 -18.856 1.00 0.00 C ATOM 753 CG ASP A 88 -0.488 -7.536 -20.249 1.00 0.00 C ATOM 754 OD1 ASP A 88 -0.881 -6.368 -20.452 1.00 0.00 O ATOM 755 OD2 ASP A 88 0.022 -8.251 -21.137 1.00 0.00 O ATOM 0 H ASP A 88 -0.714 -8.140 -16.370 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.809 -6.384 -18.362 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.309 -8.019 -18.323 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.855 -9.180 -18.930 1.00 0.00 H new ATOM 760 N ARG A 89 -3.483 -8.113 -19.596 1.00 0.00 N ATOM 761 CA ARG A 89 -4.746 -8.723 -19.993 1.00 0.00 C ATOM 762 C ARG A 89 -4.549 -9.657 -21.183 1.00 0.00 C ATOM 763 O ARG A 89 -5.511 -10.207 -21.720 1.00 0.00 O ATOM 764 CB ARG A 89 -5.771 -7.642 -20.343 1.00 0.00 C ATOM 765 CG ARG A 89 -5.345 -6.750 -21.498 1.00 0.00 C ATOM 766 CD ARG A 89 -6.497 -5.888 -21.990 1.00 0.00 C ATOM 767 NE ARG A 89 -7.588 -6.692 -22.535 1.00 0.00 N ATOM 768 CZ ARG A 89 -8.841 -6.262 -22.628 1.00 0.00 C ATOM 769 NH1 ARG A 89 -9.161 -5.044 -22.213 1.00 0.00 N ATOM 770 NH2 ARG A 89 -9.779 -7.053 -23.136 1.00 0.00 N ATOM 0 H ARG A 89 -2.950 -7.708 -20.366 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.118 -9.308 -19.152 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.718 -8.119 -20.594 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.949 -7.023 -19.463 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.521 -6.111 -21.181 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.974 -7.366 -22.317 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.871 -5.279 -21.167 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.135 -5.202 -22.755 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.376 -7.635 -22.862 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.444 -4.434 -21.821 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.124 -4.717 -22.286 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.537 -7.991 -23.455 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.741 -6.722 -23.207 1.00 0.00 H new ATOM 784 N PHE A 90 -3.296 -9.832 -21.590 1.00 0.00 N ATOM 785 CA PHE A 90 -2.973 -10.698 -22.718 1.00 0.00 C ATOM 786 C PHE A 90 -2.106 -11.872 -22.271 1.00 0.00 C ATOM 787 O PHE A 90 -2.558 -13.017 -22.239 1.00 0.00 O ATOM 788 CB PHE A 90 -2.253 -9.904 -23.809 1.00 0.00 C ATOM 789 CG PHE A 90 -3.117 -8.865 -24.464 1.00 0.00 C ATOM 790 CD1 PHE A 90 -4.218 -9.238 -25.219 1.00 0.00 C ATOM 791 CD2 PHE A 90 -2.830 -7.517 -24.326 1.00 0.00 C ATOM 792 CE1 PHE A 90 -5.016 -8.285 -25.823 1.00 0.00 C ATOM 793 CE2 PHE A 90 -3.624 -6.560 -24.928 1.00 0.00 C ATOM 794 CZ PHE A 90 -4.718 -6.944 -25.678 1.00 0.00 C ATOM 0 H PHE A 90 -2.488 -9.386 -21.156 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.906 -11.091 -23.121 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.379 -9.418 -23.376 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.889 -10.595 -24.570 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.455 -10.285 -25.337 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.976 -7.210 -23.741 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.872 -8.588 -26.408 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.389 -5.512 -24.812 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.339 -6.197 -26.150 1.00 0.00 H new ATOM 804 N THR A 91 -0.856 -11.578 -21.925 1.00 0.00 N ATOM 805 CA THR A 91 0.076 -12.608 -21.482 1.00 0.00 C ATOM 806 C THR A 91 0.659 -12.269 -20.115 1.00 0.00 C ATOM 807 O THR A 91 1.034 -13.158 -19.352 1.00 0.00 O ATOM 808 CB THR A 91 1.228 -12.793 -22.488 1.00 0.00 C ATOM 809 OG1 THR A 91 2.109 -13.829 -22.038 1.00 0.00 O ATOM 810 CG2 THR A 91 2.007 -11.498 -22.663 1.00 0.00 C ATOM 0 H THR A 91 -0.466 -10.636 -21.943 1.00 0.00 H new ATOM 0 HA THR A 91 -0.489 -13.538 -21.413 1.00 0.00 H new ATOM 0 HB THR A 91 0.800 -13.073 -23.450 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.838 -13.942 -22.683 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.815 -11.653 -23.378 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.340 -10.719 -23.033 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.425 -11.192 -21.704 1.00 0.00 H new ATOM 818 N GLY A 92 0.733 -10.976 -19.812 1.00 0.00 N ATOM 819 CA GLY A 92 1.271 -10.543 -18.536 1.00 0.00 C ATOM 820 C GLY A 92 0.258 -10.647 -17.413 1.00 0.00 C ATOM 821 O GLY A 92 0.168 -9.759 -16.565 1.00 0.00 O ATOM 0 H GLY A 92 0.430 -10.221 -20.428 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.144 -11.147 -18.290 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.611 -9.511 -18.620 1.00 0.00 H new ATOM 825 N MET A 93 -0.509 -11.732 -17.409 1.00 0.00 N ATOM 826 CA MET A 93 -1.522 -11.948 -16.382 1.00 0.00 C ATOM 827 C MET A 93 -1.065 -11.383 -15.040 1.00 0.00 C ATOM 828 O MET A 93 -1.860 -10.814 -14.292 1.00 0.00 O ATOM 829 CB MET A 93 -1.828 -13.440 -16.243 1.00 0.00 C ATOM 830 CG MET A 93 -2.843 -13.949 -17.254 1.00 0.00 C ATOM 831 SD MET A 93 -3.400 -15.626 -16.895 1.00 0.00 S ATOM 832 CE MET A 93 -4.678 -15.306 -15.682 1.00 0.00 C ATOM 0 H MET A 93 -0.449 -12.475 -18.105 1.00 0.00 H new ATOM 0 HA MET A 93 -2.429 -11.426 -16.686 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.902 -14.004 -16.354 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.201 -13.634 -15.237 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.703 -13.280 -17.268 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.402 -13.922 -18.251 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.120 -16.249 -15.361 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.244 -14.798 -14.821 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.450 -14.676 -16.124 1.00 0.00 H new ATOM 842 N HIS A 94 0.221 -11.545 -14.742 1.00 0.00 N ATOM 843 CA HIS A 94 0.783 -11.052 -13.490 1.00 0.00 C ATOM 844 C HIS A 94 2.269 -10.741 -13.647 1.00 0.00 C ATOM 845 O HIS A 94 3.091 -11.646 -13.794 1.00 0.00 O ATOM 846 CB HIS A 94 0.579 -12.078 -12.375 1.00 0.00 C ATOM 847 CG HIS A 94 0.853 -11.536 -11.006 1.00 0.00 C ATOM 848 ND1 HIS A 94 2.038 -11.751 -10.334 1.00 0.00 N ATOM 849 CD2 HIS A 94 0.087 -10.783 -10.182 1.00 0.00 C ATOM 850 CE1 HIS A 94 1.988 -11.155 -9.156 1.00 0.00 C ATOM 851 NE2 HIS A 94 0.815 -10.560 -9.040 1.00 0.00 N ATOM 0 H HIS A 94 0.892 -12.014 -15.350 1.00 0.00 H new ATOM 0 HA HIS A 94 0.263 -10.131 -13.225 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.447 -12.445 -12.413 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.230 -12.933 -12.556 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.911 -10.424 -10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.773 -11.155 -8.414 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.501 -10.022 -8.233 1.00 0.00 H new ATOM 859 N LYS A 95 2.607 -9.457 -13.616 1.00 0.00 N ATOM 860 CA LYS A 95 3.993 -9.026 -13.754 1.00 0.00 C ATOM 861 C LYS A 95 4.780 -9.308 -12.478 1.00 0.00 C ATOM 862 O LYS A 95 5.794 -10.003 -12.504 1.00 0.00 O ATOM 863 CB LYS A 95 4.054 -7.533 -14.084 1.00 0.00 C ATOM 864 CG LYS A 95 3.283 -7.155 -15.337 1.00 0.00 C ATOM 865 CD LYS A 95 3.504 -5.699 -15.709 1.00 0.00 C ATOM 866 CE LYS A 95 2.737 -4.765 -14.786 1.00 0.00 C ATOM 867 NZ LYS A 95 2.923 -3.336 -15.162 1.00 0.00 N ATOM 0 H LYS A 95 1.939 -8.695 -13.496 1.00 0.00 H new ATOM 0 HA LYS A 95 4.443 -9.591 -14.570 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.660 -6.967 -13.240 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.096 -7.239 -14.206 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.594 -7.794 -16.163 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.219 -7.334 -15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.568 -5.467 -15.660 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.189 -5.534 -16.739 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.676 -5.014 -14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.069 -4.916 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.189 -2.787 -14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.675 -3.260 -15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.035 -2.961 -15.553 1.00 0.00 H new ATOM 881 N GLY A 96 4.303 -8.765 -11.361 1.00 0.00 N ATOM 882 CA GLY A 96 4.974 -8.971 -10.091 1.00 0.00 C ATOM 883 C GLY A 96 5.121 -7.687 -9.298 1.00 0.00 C ATOM 884 O GLY A 96 6.163 -7.441 -8.689 1.00 0.00 O ATOM 0 H GLY A 96 3.464 -8.187 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.414 -9.697 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.960 -9.399 -10.270 1.00 0.00 H new ATOM 888 N CYS A 97 4.076 -6.867 -9.306 1.00 0.00 N ATOM 889 CA CYS A 97 4.094 -5.600 -8.583 1.00 0.00 C ATOM 890 C CYS A 97 2.733 -4.915 -8.653 1.00 0.00 C ATOM 891 O CYS A 97 1.844 -5.351 -9.384 1.00 0.00 O ATOM 892 CB CYS A 97 5.172 -4.678 -9.155 1.00 0.00 C ATOM 893 SG CYS A 97 5.002 -4.353 -10.926 1.00 0.00 S ATOM 0 H CYS A 97 3.206 -7.056 -9.804 1.00 0.00 H new ATOM 0 HA CYS A 97 4.322 -5.809 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 97 5.146 -3.730 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 97 6.150 -5.122 -8.970 1.00 0.00 H new ATOM 0 HG CYS A 97 5.764 -3.354 -11.259 1.00 0.00 H new ATOM 899 N ALA A 98 2.576 -3.841 -7.885 1.00 0.00 N ATOM 900 CA ALA A 98 1.324 -3.096 -7.860 1.00 0.00 C ATOM 901 C ALA A 98 1.561 -1.637 -7.487 1.00 0.00 C ATOM 902 O ALA A 98 2.548 -1.306 -6.830 1.00 0.00 O ATOM 903 CB ALA A 98 0.347 -3.740 -6.887 1.00 0.00 C ATOM 0 H ALA A 98 3.301 -3.468 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 98 0.894 -3.122 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.584 -3.174 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.145 -4.765 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.779 -3.744 -5.886 1.00 0.00 H new ATOM 909 N PHE A 99 0.649 -0.767 -7.911 1.00 0.00 N ATOM 910 CA PHE A 99 0.760 0.658 -7.622 1.00 0.00 C ATOM 911 C PHE A 99 -0.162 1.054 -6.473 1.00 0.00 C ATOM 912 O PHE A 99 -1.367 0.800 -6.514 1.00 0.00 O ATOM 913 CB PHE A 99 0.423 1.480 -8.868 1.00 0.00 C ATOM 914 CG PHE A 99 1.617 1.779 -9.730 1.00 0.00 C ATOM 915 CD1 PHE A 99 2.798 2.234 -9.167 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.557 1.605 -11.103 1.00 0.00 C ATOM 917 CE1 PHE A 99 3.898 2.510 -9.957 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.654 1.878 -11.898 1.00 0.00 C ATOM 919 CZ PHE A 99 3.826 2.333 -11.324 1.00 0.00 C ATOM 0 H PHE A 99 -0.174 -1.024 -8.455 1.00 0.00 H new ATOM 0 HA PHE A 99 1.789 0.864 -7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.317 0.941 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.037 2.419 -8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.860 2.375 -8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.643 1.252 -11.557 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.813 2.864 -9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.595 1.736 -12.967 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.684 2.550 -11.944 1.00 0.00 H new ATOM 929 N LEU A 100 0.411 1.677 -5.450 1.00 0.00 N ATOM 930 CA LEU A 100 -0.358 2.108 -4.288 1.00 0.00 C ATOM 931 C LEU A 100 -0.158 3.597 -4.025 1.00 0.00 C ATOM 932 O LEU A 100 0.972 4.076 -3.929 1.00 0.00 O ATOM 933 CB LEU A 100 0.048 1.301 -3.054 1.00 0.00 C ATOM 934 CG LEU A 100 -0.511 1.790 -1.718 1.00 0.00 C ATOM 935 CD1 LEU A 100 -2.031 1.808 -1.750 1.00 0.00 C ATOM 936 CD2 LEU A 100 -0.010 0.916 -0.577 1.00 0.00 C ATOM 0 H LEU A 100 1.406 1.895 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.413 1.933 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.267 0.268 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.136 1.296 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.159 2.808 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.411 2.159 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.370 2.477 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.403 0.801 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.418 1.279 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.331 -0.113 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.079 0.955 -0.540 1.00 0.00 H new ATOM 948 N THR A 101 -1.264 4.326 -3.906 1.00 0.00 N ATOM 949 CA THR A 101 -1.211 5.760 -3.653 1.00 0.00 C ATOM 950 C THR A 101 -1.711 6.089 -2.251 1.00 0.00 C ATOM 951 O THR A 101 -2.747 5.586 -1.817 1.00 0.00 O ATOM 952 CB THR A 101 -2.047 6.544 -4.682 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.522 6.339 -5.998 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.050 8.030 -4.357 1.00 0.00 C ATOM 0 H THR A 101 -2.208 3.946 -3.981 1.00 0.00 H new ATOM 0 HA THR A 101 -0.167 6.059 -3.743 1.00 0.00 H new ATOM 0 HB THR A 101 -3.073 6.177 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.060 6.839 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.647 8.563 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.478 8.185 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.028 8.408 -4.374 1.00 0.00 H new ATOM 962 N TYR A 102 -0.969 6.937 -1.548 1.00 0.00 N ATOM 963 CA TYR A 102 -1.337 7.333 -0.193 1.00 0.00 C ATOM 964 C TYR A 102 -2.037 8.688 -0.193 1.00 0.00 C ATOM 965 O TYR A 102 -1.785 9.531 -1.055 1.00 0.00 O ATOM 966 CB TYR A 102 -0.096 7.387 0.699 1.00 0.00 C ATOM 967 CG TYR A 102 0.209 6.078 1.392 1.00 0.00 C ATOM 968 CD1 TYR A 102 0.664 4.979 0.673 1.00 0.00 C ATOM 969 CD2 TYR A 102 0.043 5.940 2.764 1.00 0.00 C ATOM 970 CE1 TYR A 102 0.944 3.781 1.301 1.00 0.00 C ATOM 971 CE2 TYR A 102 0.322 4.746 3.401 1.00 0.00 C ATOM 972 CZ TYR A 102 0.771 3.669 2.665 1.00 0.00 C ATOM 973 OH TYR A 102 1.049 2.478 3.295 1.00 0.00 O ATOM 0 H TYR A 102 -0.109 7.364 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.028 6.588 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.763 7.677 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.233 8.164 1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.801 5.063 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.310 6.780 3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.296 2.937 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.189 4.656 4.469 1.00 0.00 H new ATOM 0 HH TYR A 102 0.371 2.305 3.981 1.00 0.00 H new ATOM 983 N CYS A 103 -2.918 8.891 0.781 1.00 0.00 N ATOM 984 CA CYS A 103 -3.656 10.144 0.895 1.00 0.00 C ATOM 985 C CYS A 103 -2.724 11.292 1.270 1.00 0.00 C ATOM 986 O CYS A 103 -2.846 12.399 0.746 1.00 0.00 O ATOM 987 CB CYS A 103 -4.767 10.012 1.938 1.00 0.00 C ATOM 988 SG CYS A 103 -5.612 11.565 2.316 1.00 0.00 S ATOM 0 H CYS A 103 -3.138 8.204 1.502 1.00 0.00 H new ATOM 0 HA CYS A 103 -4.102 10.364 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.501 9.289 1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.342 9.609 2.857 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.535 11.351 3.206 1.00 0.00 H new ATOM 994 N GLU A 104 -1.795 11.020 2.181 1.00 0.00 N ATOM 995 CA GLU A 104 -0.845 12.032 2.627 1.00 0.00 C ATOM 996 C GLU A 104 0.534 11.788 2.021 1.00 0.00 C ATOM 997 O GLU A 104 0.810 10.710 1.494 1.00 0.00 O ATOM 998 CB GLU A 104 -0.749 12.035 4.154 1.00 0.00 C ATOM 999 CG GLU A 104 -1.868 12.808 4.832 1.00 0.00 C ATOM 1000 CD GLU A 104 -1.503 13.251 6.236 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -0.865 12.461 6.962 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -1.857 14.390 6.608 1.00 0.00 O ATOM 0 H GLU A 104 -1.680 10.108 2.624 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.204 13.004 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.761 11.006 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.208 12.464 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.116 13.683 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.762 12.186 4.872 1.00 0.00 H new ATOM 1009 N ARG A 105 1.396 12.797 2.100 1.00 0.00 N ATOM 1010 CA ARG A 105 2.745 12.693 1.557 1.00 0.00 C ATOM 1011 C ARG A 105 3.687 12.040 2.565 1.00 0.00 C ATOM 1012 O ARG A 105 4.358 11.057 2.253 1.00 0.00 O ATOM 1013 CB ARG A 105 3.271 14.078 1.175 1.00 0.00 C ATOM 1014 CG ARG A 105 4.623 14.045 0.480 1.00 0.00 C ATOM 1015 CD ARG A 105 4.920 15.360 -0.223 1.00 0.00 C ATOM 1016 NE ARG A 105 6.281 15.404 -0.751 1.00 0.00 N ATOM 1017 CZ ARG A 105 7.359 15.564 0.009 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.235 15.696 1.322 1.00 0.00 N ATOM 1019 NH2 ARG A 105 8.564 15.593 -0.545 1.00 0.00 N ATOM 0 H ARG A 105 1.184 13.695 2.535 1.00 0.00 H new ATOM 0 HA ARG A 105 2.704 12.068 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.547 14.565 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.349 14.689 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.404 13.838 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.641 13.231 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.210 15.504 -1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.775 16.185 0.475 1.00 0.00 H new ATOM 0 HE ARG A 105 6.411 15.307 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.310 15.675 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.064 15.819 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.663 15.492 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.391 15.716 0.039 1.00 0.00 H new ATOM 1033 N GLU A 106 3.730 12.593 3.772 1.00 0.00 N ATOM 1034 CA GLU A 106 4.591 12.065 4.824 1.00 0.00 C ATOM 1035 C GLU A 106 4.152 10.661 5.231 1.00 0.00 C ATOM 1036 O GLU A 106 4.981 9.807 5.547 1.00 0.00 O ATOM 1037 CB GLU A 106 4.573 12.990 6.042 1.00 0.00 C ATOM 1038 CG GLU A 106 3.185 13.209 6.620 1.00 0.00 C ATOM 1039 CD GLU A 106 3.221 13.767 8.029 1.00 0.00 C ATOM 1040 OE1 GLU A 106 4.058 13.300 8.830 1.00 0.00 O ATOM 1041 OE2 GLU A 106 2.413 14.670 8.332 1.00 0.00 O ATOM 0 H GLU A 106 3.179 13.406 4.046 1.00 0.00 H new ATOM 0 HA GLU A 106 5.607 12.011 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.217 12.571 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.997 13.954 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.631 13.893 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.643 12.263 6.622 1.00 0.00 H new ATOM 1048 N SER A 107 2.843 10.431 5.223 1.00 0.00 N ATOM 1049 CA SER A 107 2.293 9.133 5.596 1.00 0.00 C ATOM 1050 C SER A 107 3.032 8.004 4.883 1.00 0.00 C ATOM 1051 O SER A 107 3.436 7.022 5.505 1.00 0.00 O ATOM 1052 CB SER A 107 0.802 9.072 5.261 1.00 0.00 C ATOM 1053 OG SER A 107 0.030 9.740 6.244 1.00 0.00 O ATOM 0 H SER A 107 2.144 11.126 4.962 1.00 0.00 H new ATOM 0 HA SER A 107 2.423 9.007 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.626 9.526 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.484 8.032 5.190 1.00 0.00 H new ATOM 0 HG SER A 107 -0.923 9.620 6.049 1.00 0.00 H new ATOM 1059 N ALA A 108 3.206 8.153 3.574 1.00 0.00 N ATOM 1060 CA ALA A 108 3.898 7.149 2.776 1.00 0.00 C ATOM 1061 C ALA A 108 5.244 6.788 3.395 1.00 0.00 C ATOM 1062 O ALA A 108 5.599 5.613 3.492 1.00 0.00 O ATOM 1063 CB ALA A 108 4.086 7.645 1.350 1.00 0.00 C ATOM 0 H ALA A 108 2.877 8.960 3.044 1.00 0.00 H new ATOM 0 HA ALA A 108 3.283 6.249 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.604 6.885 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.112 7.845 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.676 8.561 1.358 1.00 0.00 H new ATOM 1069 N LEU A 109 5.991 7.806 3.810 1.00 0.00 N ATOM 1070 CA LEU A 109 7.299 7.596 4.420 1.00 0.00 C ATOM 1071 C LEU A 109 7.229 6.528 5.507 1.00 0.00 C ATOM 1072 O LEU A 109 8.137 5.708 5.646 1.00 0.00 O ATOM 1073 CB LEU A 109 7.825 8.906 5.009 1.00 0.00 C ATOM 1074 CG LEU A 109 7.828 10.112 4.069 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.223 11.374 4.820 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.768 9.871 2.896 1.00 0.00 C ATOM 0 H LEU A 109 5.713 8.784 3.735 1.00 0.00 H new ATOM 0 HA LEU A 109 7.983 7.253 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.225 9.154 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.844 8.741 5.358 1.00 0.00 H new ATOM 0 HG LEU A 109 6.819 10.247 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.220 12.221 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.511 11.556 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.222 11.250 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.758 10.739 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.780 9.710 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.440 8.991 2.342 1.00 0.00 H new ATOM 1088 N LYS A 110 6.144 6.542 6.273 1.00 0.00 N ATOM 1089 CA LYS A 110 5.952 5.573 7.346 1.00 0.00 C ATOM 1090 C LYS A 110 5.880 4.154 6.791 1.00 0.00 C ATOM 1091 O LYS A 110 6.720 3.312 7.104 1.00 0.00 O ATOM 1092 CB LYS A 110 4.676 5.893 8.127 1.00 0.00 C ATOM 1093 CG LYS A 110 4.717 7.235 8.836 1.00 0.00 C ATOM 1094 CD LYS A 110 3.776 7.265 10.029 1.00 0.00 C ATOM 1095 CE LYS A 110 4.421 6.653 11.263 1.00 0.00 C ATOM 1096 NZ LYS A 110 5.232 7.649 12.017 1.00 0.00 N ATOM 0 H LYS A 110 5.383 7.214 6.171 1.00 0.00 H new ATOM 0 HA LYS A 110 6.808 5.638 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.828 5.879 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.504 5.108 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.734 7.441 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.444 8.025 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.488 8.295 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.863 6.722 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.647 6.248 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.056 5.819 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.655 7.193 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.987 8.018 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.621 8.433 12.324 1.00 0.00 H new ATOM 1110 N ALA A 111 4.870 3.898 5.965 1.00 0.00 N ATOM 1111 CA ALA A 111 4.691 2.582 5.364 1.00 0.00 C ATOM 1112 C ALA A 111 5.872 2.221 4.470 1.00 0.00 C ATOM 1113 O ALA A 111 6.073 1.054 4.134 1.00 0.00 O ATOM 1114 CB ALA A 111 3.393 2.537 4.571 1.00 0.00 C ATOM 0 H ALA A 111 4.164 4.584 5.697 1.00 0.00 H new ATOM 0 HA ALA A 111 4.640 1.847 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.272 1.549 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.554 2.742 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.423 3.288 3.781 1.00 0.00 H new ATOM 1120 N GLN A 112 6.650 3.229 4.089 1.00 0.00 N ATOM 1121 CA GLN A 112 7.810 3.016 3.233 1.00 0.00 C ATOM 1122 C GLN A 112 8.939 2.340 4.004 1.00 0.00 C ATOM 1123 O GLN A 112 9.564 1.401 3.512 1.00 0.00 O ATOM 1124 CB GLN A 112 8.296 4.347 2.656 1.00 0.00 C ATOM 1125 CG GLN A 112 7.647 4.710 1.331 1.00 0.00 C ATOM 1126 CD GLN A 112 8.321 5.886 0.652 1.00 0.00 C ATOM 1127 OE1 GLN A 112 9.548 5.940 0.552 1.00 0.00 O ATOM 1128 NE2 GLN A 112 7.522 6.836 0.182 1.00 0.00 N ATOM 0 H GLN A 112 6.498 4.201 4.360 1.00 0.00 H new ATOM 0 HA GLN A 112 7.511 2.361 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.098 5.140 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 112 9.377 4.302 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.678 3.846 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.596 4.946 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.511 6.750 0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.919 7.652 -0.284 1.00 0.00 H new ATOM 1137 N SER A 113 9.195 2.824 5.215 1.00 0.00 N ATOM 1138 CA SER A 113 10.252 2.269 6.052 1.00 0.00 C ATOM 1139 C SER A 113 9.691 1.226 7.014 1.00 0.00 C ATOM 1140 O SER A 113 10.435 0.429 7.585 1.00 0.00 O ATOM 1141 CB SER A 113 10.946 3.383 6.839 1.00 0.00 C ATOM 1142 OG SER A 113 11.454 4.381 5.970 1.00 0.00 O ATOM 0 H SER A 113 8.685 3.599 5.638 1.00 0.00 H new ATOM 0 HA SER A 113 10.980 1.785 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.241 3.831 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.760 2.963 7.430 1.00 0.00 H new ATOM 0 HG SER A 113 11.891 5.082 6.497 1.00 0.00 H new ATOM 1148 N ALA A 114 8.373 1.238 7.188 1.00 0.00 N ATOM 1149 CA ALA A 114 7.712 0.293 8.078 1.00 0.00 C ATOM 1150 C ALA A 114 7.557 -1.071 7.413 1.00 0.00 C ATOM 1151 O ALA A 114 7.712 -2.109 8.058 1.00 0.00 O ATOM 1152 CB ALA A 114 6.354 0.831 8.505 1.00 0.00 C ATOM 0 H ALA A 114 7.743 1.892 6.724 1.00 0.00 H new ATOM 0 HA ALA A 114 8.336 0.168 8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.871 0.115 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.486 1.779 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.731 0.986 7.624 1.00 0.00 H new ATOM 1158 N LEU A 115 7.248 -1.062 6.121 1.00 0.00 N ATOM 1159 CA LEU A 115 7.071 -2.299 5.368 1.00 0.00 C ATOM 1160 C LEU A 115 8.390 -2.756 4.754 1.00 0.00 C ATOM 1161 O LEU A 115 8.858 -3.865 5.017 1.00 0.00 O ATOM 1162 CB LEU A 115 6.024 -2.105 4.270 1.00 0.00 C ATOM 1163 CG LEU A 115 4.567 -2.069 4.731 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.673 -1.512 3.633 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.103 -3.458 5.144 1.00 0.00 C ATOM 0 H LEU A 115 7.115 -0.212 5.573 1.00 0.00 H new ATOM 0 HA LEU A 115 6.727 -3.069 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.242 -1.173 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.135 -2.910 3.544 1.00 0.00 H new ATOM 0 HG LEU A 115 4.497 -1.412 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.640 -1.494 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.990 -0.499 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.748 -2.143 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.064 -3.413 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.189 -4.137 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.724 -3.820 5.963 1.00 0.00 H new ATOM 1177 N HIS A 116 8.987 -1.894 3.937 1.00 0.00 N ATOM 1178 CA HIS A 116 10.255 -2.209 3.288 1.00 0.00 C ATOM 1179 C HIS A 116 11.145 -3.040 4.207 1.00 0.00 C ATOM 1180 O HIS A 116 11.380 -2.671 5.357 1.00 0.00 O ATOM 1181 CB HIS A 116 10.978 -0.924 2.885 1.00 0.00 C ATOM 1182 CG HIS A 116 12.191 -1.159 2.038 1.00 0.00 C ATOM 1183 ND1 HIS A 116 12.142 -1.264 0.664 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.493 -1.309 2.379 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.360 -1.469 0.196 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.198 -1.501 1.217 1.00 0.00 N ATOM 0 H HIS A 116 8.614 -0.973 3.709 1.00 0.00 H new ATOM 0 HA HIS A 116 10.041 -2.794 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.285 -0.282 2.342 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.273 -0.385 3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.901 -1.282 3.379 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.626 -1.590 -0.844 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.206 -1.645 1.152 1.00 0.00 H new ATOM 1194 N GLU A 117 11.635 -4.163 3.692 1.00 0.00 N ATOM 1195 CA GLU A 117 12.497 -5.047 4.468 1.00 0.00 C ATOM 1196 C GLU A 117 12.012 -5.149 5.912 1.00 0.00 C ATOM 1197 O GLU A 117 12.801 -5.040 6.850 1.00 0.00 O ATOM 1198 CB GLU A 117 13.941 -4.542 4.438 1.00 0.00 C ATOM 1199 CG GLU A 117 14.488 -4.345 3.034 1.00 0.00 C ATOM 1200 CD GLU A 117 15.016 -5.631 2.428 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.156 -6.018 2.760 1.00 0.00 O ATOM 1202 OE2 GLU A 117 14.290 -6.249 1.622 1.00 0.00 O ATOM 0 H GLU A 117 11.450 -4.482 2.741 1.00 0.00 H new ATOM 0 HA GLU A 117 12.457 -6.039 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.997 -3.596 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.576 -5.250 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.702 -3.943 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.288 -3.605 3.060 1.00 0.00 H new ATOM 1209 N GLN A 118 10.711 -5.359 6.079 1.00 0.00 N ATOM 1210 CA GLN A 118 10.121 -5.475 7.408 1.00 0.00 C ATOM 1211 C GLN A 118 9.171 -6.665 7.480 1.00 0.00 C ATOM 1212 O GLN A 118 9.300 -7.525 8.351 1.00 0.00 O ATOM 1213 CB GLN A 118 9.376 -4.189 7.772 1.00 0.00 C ATOM 1214 CG GLN A 118 9.315 -3.924 9.267 1.00 0.00 C ATOM 1215 CD GLN A 118 8.094 -4.540 9.921 1.00 0.00 C ATOM 1216 OE1 GLN A 118 7.936 -5.761 9.942 1.00 0.00 O ATOM 1217 NE2 GLN A 118 7.221 -3.695 10.458 1.00 0.00 N ATOM 0 H GLN A 118 10.045 -5.452 5.312 1.00 0.00 H new ATOM 0 HA GLN A 118 10.928 -5.634 8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.863 -3.346 7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.361 -4.244 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.214 -4.321 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 118 9.312 -2.848 9.441 1.00 0.00 H new ATOM 0 HE21 GLN A 118 7.392 -2.690 10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 118 6.379 -4.051 10.911 1.00 0.00 H new ATOM 1226 N LYS A 119 8.215 -6.709 6.558 1.00 0.00 N ATOM 1227 CA LYS A 119 7.242 -7.795 6.515 1.00 0.00 C ATOM 1228 C LYS A 119 7.499 -8.708 5.321 1.00 0.00 C ATOM 1229 O LYS A 119 7.922 -8.254 4.257 1.00 0.00 O ATOM 1230 CB LYS A 119 5.821 -7.231 6.444 1.00 0.00 C ATOM 1231 CG LYS A 119 4.749 -8.299 6.315 1.00 0.00 C ATOM 1232 CD LYS A 119 3.532 -7.781 5.566 1.00 0.00 C ATOM 1233 CE LYS A 119 2.629 -6.958 6.472 1.00 0.00 C ATOM 1234 NZ LYS A 119 1.202 -7.041 6.055 1.00 0.00 N ATOM 0 H LYS A 119 8.093 -6.005 5.830 1.00 0.00 H new ATOM 0 HA LYS A 119 7.348 -8.382 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.628 -6.641 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.750 -6.552 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.157 -9.164 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.450 -8.637 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.855 -7.172 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.971 -8.621 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.728 -7.309 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.952 -5.917 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.838 -6.084 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.126 -7.612 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.644 -7.485 6.812 1.00 0.00 H new ATOM 1248 N THR A 120 7.238 -9.999 5.502 1.00 0.00 N ATOM 1249 CA THR A 120 7.440 -10.976 4.440 1.00 0.00 C ATOM 1250 C THR A 120 6.143 -11.705 4.109 1.00 0.00 C ATOM 1251 O THR A 120 5.494 -12.269 4.990 1.00 0.00 O ATOM 1252 CB THR A 120 8.514 -12.012 4.826 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.718 -11.346 5.219 1.00 0.00 O ATOM 1254 CG2 THR A 120 8.803 -12.950 3.664 1.00 0.00 C ATOM 0 H THR A 120 6.886 -10.392 6.375 1.00 0.00 H new ATOM 0 HA THR A 120 7.777 -10.424 3.563 1.00 0.00 H new ATOM 0 HB THR A 120 8.136 -12.601 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.395 -12.011 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.564 -13.672 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.890 -13.477 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.162 -12.373 2.812 1.00 0.00 H new ATOM 1262 N LEU A 121 5.771 -11.690 2.834 1.00 0.00 N ATOM 1263 CA LEU A 121 4.550 -12.351 2.385 1.00 0.00 C ATOM 1264 C LEU A 121 4.746 -13.862 2.307 1.00 0.00 C ATOM 1265 O LEU A 121 5.851 -14.359 2.089 1.00 0.00 O ATOM 1266 CB LEU A 121 4.125 -11.809 1.020 1.00 0.00 C ATOM 1267 CG LEU A 121 3.676 -10.347 0.988 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.556 -9.857 -0.446 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.355 -10.179 1.723 1.00 0.00 C ATOM 0 H LEU A 121 6.297 -11.227 2.093 1.00 0.00 H new ATOM 0 HA LEU A 121 3.765 -12.142 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.959 -11.927 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.310 -12.427 0.644 1.00 0.00 H new ATOM 0 HG LEU A 121 4.430 -9.744 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.236 -8.815 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.523 -9.940 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.823 -10.464 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.051 -9.133 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.592 -10.794 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.474 -10.490 2.761 1.00 0.00 H new ATOM 1281 N PRO A 122 3.648 -14.611 2.485 1.00 0.00 N ATOM 1282 CA PRO A 122 3.673 -16.076 2.436 1.00 0.00 C ATOM 1283 C PRO A 122 3.924 -16.605 1.028 1.00 0.00 C ATOM 1284 O PRO A 122 3.104 -16.419 0.130 1.00 0.00 O ATOM 1285 CB PRO A 122 2.273 -16.471 2.914 1.00 0.00 C ATOM 1286 CG PRO A 122 1.417 -15.295 2.591 1.00 0.00 C ATOM 1287 CD PRO A 122 2.297 -14.086 2.748 1.00 0.00 C ATOM 0 HA PRO A 122 4.478 -16.490 3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.920 -17.369 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.265 -16.685 3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.026 -15.364 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.558 -15.242 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.028 -13.299 2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.219 -13.659 3.748 1.00 0.00 H new ATOM 1295 N GLY A 123 5.063 -17.265 0.843 1.00 0.00 N ATOM 1296 CA GLY A 123 5.401 -17.811 -0.459 1.00 0.00 C ATOM 1297 C GLY A 123 6.669 -17.207 -1.029 1.00 0.00 C ATOM 1298 O GLY A 123 7.345 -17.828 -1.848 1.00 0.00 O ATOM 0 H GLY A 123 5.758 -17.431 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.522 -18.891 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 123 4.576 -17.634 -1.149 1.00 0.00 H new ATOM 1302 N MET A 124 6.991 -15.993 -0.596 1.00 0.00 N ATOM 1303 CA MET A 124 8.186 -15.305 -1.069 1.00 0.00 C ATOM 1304 C MET A 124 9.314 -15.408 -0.047 1.00 0.00 C ATOM 1305 O MET A 124 9.169 -14.976 1.096 1.00 0.00 O ATOM 1306 CB MET A 124 7.875 -13.835 -1.357 1.00 0.00 C ATOM 1307 CG MET A 124 6.730 -13.636 -2.337 1.00 0.00 C ATOM 1308 SD MET A 124 7.133 -14.206 -3.999 1.00 0.00 S ATOM 1309 CE MET A 124 7.857 -12.725 -4.699 1.00 0.00 C ATOM 0 H MET A 124 6.441 -15.465 0.082 1.00 0.00 H new ATOM 0 HA MET A 124 8.510 -15.787 -1.991 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.632 -13.333 -0.420 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.769 -13.354 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.851 -14.171 -1.977 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.467 -12.579 -2.373 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.522 -12.997 -5.519 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.066 -12.075 -5.074 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.425 -12.199 -3.931 1.00 0.00 H new ATOM 1319 N ASN A 125 10.436 -15.982 -0.467 1.00 0.00 N ATOM 1320 CA ASN A 125 11.588 -16.142 0.413 1.00 0.00 C ATOM 1321 C ASN A 125 12.065 -14.791 0.937 1.00 0.00 C ATOM 1322 O ASN A 125 12.511 -14.678 2.079 1.00 0.00 O ATOM 1323 CB ASN A 125 12.728 -16.845 -0.327 1.00 0.00 C ATOM 1324 CG ASN A 125 12.264 -18.094 -1.050 1.00 0.00 C ATOM 1325 OD1 ASN A 125 11.876 -18.041 -2.217 1.00 0.00 O ATOM 1326 ND2 ASN A 125 12.301 -19.227 -0.358 1.00 0.00 N ATOM 0 H ASN A 125 10.572 -16.344 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 125 11.282 -16.754 1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 125 13.171 -16.156 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.511 -17.110 0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 125 12.000 -20.100 -0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.630 -19.224 0.607 1.00 0.00 H new ATOM 1333 N ARG A 126 11.966 -13.767 0.095 1.00 0.00 N ATOM 1334 CA ARG A 126 12.386 -12.424 0.472 1.00 0.00 C ATOM 1335 C ARG A 126 11.192 -11.585 0.919 1.00 0.00 C ATOM 1336 O ARG A 126 10.048 -11.841 0.543 1.00 0.00 O ATOM 1337 CB ARG A 126 13.094 -11.740 -0.699 1.00 0.00 C ATOM 1338 CG ARG A 126 14.535 -12.186 -0.884 1.00 0.00 C ATOM 1339 CD ARG A 126 14.615 -13.543 -1.566 1.00 0.00 C ATOM 1340 NE ARG A 126 15.990 -14.022 -1.671 1.00 0.00 N ATOM 1341 CZ ARG A 126 16.365 -15.007 -2.481 1.00 0.00 C ATOM 1342 NH1 ARG A 126 15.472 -15.613 -3.251 1.00 0.00 N ATOM 1343 NH2 ARG A 126 17.636 -15.387 -2.521 1.00 0.00 N ATOM 0 H ARG A 126 11.598 -13.843 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 126 13.081 -12.510 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.540 -11.942 -1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.073 -10.661 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.072 -11.447 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.029 -12.236 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.021 -14.266 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.178 -13.474 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 126 16.702 -13.577 -1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.494 -15.324 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.763 -16.369 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.326 -14.923 -1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.923 -16.143 -3.143 1.00 0.00 H new ATOM 1357 N PRO A 127 11.463 -10.560 1.740 1.00 0.00 N ATOM 1358 CA PRO A 127 10.424 -9.663 2.255 1.00 0.00 C ATOM 1359 C PRO A 127 9.841 -8.766 1.168 1.00 0.00 C ATOM 1360 O PRO A 127 10.237 -8.848 0.005 1.00 0.00 O ATOM 1361 CB PRO A 127 11.165 -8.824 3.299 1.00 0.00 C ATOM 1362 CG PRO A 127 12.590 -8.850 2.864 1.00 0.00 C ATOM 1363 CD PRO A 127 12.804 -10.196 2.228 1.00 0.00 C ATOM 0 HA PRO A 127 9.573 -10.214 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 127 10.780 -7.805 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.049 -9.243 4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 127 12.797 -8.047 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.260 -8.708 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.528 -10.145 1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.182 -10.924 2.946 1.00 0.00 H new ATOM 1371 N ILE A 128 8.899 -7.912 1.554 1.00 0.00 N ATOM 1372 CA ILE A 128 8.263 -7.000 0.612 1.00 0.00 C ATOM 1373 C ILE A 128 9.045 -5.696 0.496 1.00 0.00 C ATOM 1374 O ILE A 128 9.531 -5.162 1.493 1.00 0.00 O ATOM 1375 CB ILE A 128 6.815 -6.681 1.027 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.116 -5.865 -0.062 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.796 -5.932 2.352 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.607 -5.910 0.022 1.00 0.00 C ATOM 0 H ILE A 128 8.560 -7.833 2.513 1.00 0.00 H new ATOM 0 HA ILE A 128 8.253 -7.503 -0.355 1.00 0.00 H new ATOM 0 HB ILE A 128 6.275 -7.619 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.444 -4.828 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.428 -6.235 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 128 5.765 -5.714 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.259 -6.546 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.350 -4.999 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.180 -5.309 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.268 -6.941 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.284 -5.512 0.984 1.00 0.00 H new ATOM 1390 N GLN A 129 9.162 -5.189 -0.727 1.00 0.00 N ATOM 1391 CA GLN A 129 9.884 -3.946 -0.972 1.00 0.00 C ATOM 1392 C GLN A 129 8.922 -2.819 -1.332 1.00 0.00 C ATOM 1393 O GLN A 129 8.108 -2.951 -2.245 1.00 0.00 O ATOM 1394 CB GLN A 129 10.906 -4.139 -2.095 1.00 0.00 C ATOM 1395 CG GLN A 129 12.272 -4.589 -1.604 1.00 0.00 C ATOM 1396 CD GLN A 129 13.212 -4.944 -2.739 1.00 0.00 C ATOM 1397 OE1 GLN A 129 12.813 -5.581 -3.714 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.469 -4.532 -2.618 1.00 0.00 N ATOM 0 H GLN A 129 8.767 -5.619 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 129 10.408 -3.672 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.522 -4.875 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 129 11.016 -3.201 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.717 -3.796 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.153 -5.454 -0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.756 -4.007 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.147 -4.741 -3.351 1.00 0.00 H new ATOM 1407 N VAL A 130 9.021 -1.709 -0.606 1.00 0.00 N ATOM 1408 CA VAL A 130 8.160 -0.558 -0.849 1.00 0.00 C ATOM 1409 C VAL A 130 8.983 0.700 -1.106 1.00 0.00 C ATOM 1410 O VAL A 130 9.722 1.160 -0.235 1.00 0.00 O ATOM 1411 CB VAL A 130 7.213 -0.305 0.339 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.217 0.794 0.003 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.493 -1.587 0.728 1.00 0.00 C ATOM 0 H VAL A 130 9.689 -1.583 0.155 1.00 0.00 H new ATOM 0 HA VAL A 130 7.567 -0.788 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 130 7.807 0.024 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.556 0.959 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.754 1.715 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.626 0.497 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.828 -1.390 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.910 -1.948 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.225 -2.343 1.013 1.00 0.00 H new ATOM 1423 N LYS A 131 8.850 1.253 -2.306 1.00 0.00 N ATOM 1424 CA LYS A 131 9.580 2.459 -2.679 1.00 0.00 C ATOM 1425 C LYS A 131 8.768 3.306 -3.654 1.00 0.00 C ATOM 1426 O LYS A 131 8.073 2.792 -4.531 1.00 0.00 O ATOM 1427 CB LYS A 131 10.927 2.092 -3.304 1.00 0.00 C ATOM 1428 CG LYS A 131 10.809 1.183 -4.515 1.00 0.00 C ATOM 1429 CD LYS A 131 12.021 0.277 -4.653 1.00 0.00 C ATOM 1430 CE LYS A 131 11.822 -1.037 -3.914 1.00 0.00 C ATOM 1431 NZ LYS A 131 11.772 -0.841 -2.438 1.00 0.00 N ATOM 0 H LYS A 131 8.243 0.885 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 131 9.754 3.043 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.444 3.006 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.546 1.602 -2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.908 0.576 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.701 1.787 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.209 0.077 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 131 12.903 0.785 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.897 -1.506 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.634 -1.720 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.975 -1.743 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 12.481 -0.133 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.825 -0.510 -2.164 1.00 0.00 H new ATOM 1445 N PRO A 132 8.859 4.635 -3.501 1.00 0.00 N ATOM 1446 CA PRO A 132 8.141 5.581 -4.361 1.00 0.00 C ATOM 1447 C PRO A 132 8.695 5.609 -5.782 1.00 0.00 C ATOM 1448 O PRO A 132 9.865 5.923 -5.996 1.00 0.00 O ATOM 1449 CB PRO A 132 8.369 6.930 -3.673 1.00 0.00 C ATOM 1450 CG PRO A 132 9.638 6.757 -2.912 1.00 0.00 C ATOM 1451 CD PRO A 132 9.668 5.318 -2.478 1.00 0.00 C ATOM 0 HA PRO A 132 7.090 5.314 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.451 7.737 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.541 7.181 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.501 6.995 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 132 9.671 7.425 -2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.686 4.929 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.246 5.190 -1.481 1.00 0.00 H new ATOM 1459 N ALA A 133 7.846 5.277 -6.749 1.00 0.00 N ATOM 1460 CA ALA A 133 8.250 5.266 -8.150 1.00 0.00 C ATOM 1461 C ALA A 133 8.723 6.646 -8.595 1.00 0.00 C ATOM 1462 O ALA A 133 9.786 6.782 -9.202 1.00 0.00 O ATOM 1463 CB ALA A 133 7.102 4.791 -9.027 1.00 0.00 C ATOM 0 H ALA A 133 6.874 5.012 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 133 9.084 4.573 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.418 4.788 -10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.813 3.782 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.251 5.462 -8.908 1.00 0.00 H new