USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 73 ASN : amide:sc= -2.76 K(o=-2.8,f=-7.7!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.771 (180deg=-1.58) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.23) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.16 K(o=-3.2,f=-10!) USER MOD Single : A 87 GLN : amide:sc= -3.42! C(o=-3.4!,f=-3.2!) USER MOD Single : A 91 SER OG : rot -52:sc= 0.512 USER MOD Single : A 95 THR OG1 : rot -17:sc= -0.951 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.373 15.323 4.390 1.00 0.00 N ATOM 81 CA GLY A 9 -4.727 14.183 3.766 1.00 0.00 C ATOM 82 C GLY A 9 -3.215 14.292 3.786 1.00 0.00 C ATOM 83 O GLY A 9 -2.515 13.293 3.957 1.00 0.00 O ATOM 0 HA2 GLY A 9 -5.029 13.271 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.068 14.095 2.735 1.00 0.00 H new ATOM 87 N LEU A 10 -2.708 15.507 3.609 1.00 0.00 N ATOM 88 CA LEU A 10 -1.269 15.743 3.606 1.00 0.00 C ATOM 89 C LEU A 10 -0.730 15.843 5.030 1.00 0.00 C ATOM 90 O LEU A 10 0.382 16.322 5.251 1.00 0.00 O ATOM 91 CB LEU A 10 -0.944 17.024 2.835 1.00 0.00 C ATOM 92 CG LEU A 10 -1.768 18.257 3.204 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.038 18.320 2.371 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.102 18.251 4.689 1.00 0.00 C ATOM 0 H LEU A 10 -3.273 16.344 3.466 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.788 14.898 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.110 17.258 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.078 16.828 1.771 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.173 19.145 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.611 19.205 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.778 18.373 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.637 17.428 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.689 19.136 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.677 17.357 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.179 18.256 5.269 1.00 0.00 H new ATOM 106 N ARG A 11 -1.525 15.385 5.991 1.00 0.00 N ATOM 107 CA ARG A 11 -1.128 15.421 7.393 1.00 0.00 C ATOM 108 C ARG A 11 -0.302 14.191 7.757 1.00 0.00 C ATOM 109 O ARG A 11 -0.334 13.181 7.054 1.00 0.00 O ATOM 110 CB ARG A 11 -2.362 15.504 8.293 1.00 0.00 C ATOM 111 CG ARG A 11 -3.062 16.853 8.246 1.00 0.00 C ATOM 112 CD ARG A 11 -2.322 17.893 9.072 1.00 0.00 C ATOM 113 NE ARG A 11 -3.222 18.917 9.596 1.00 0.00 N ATOM 114 CZ ARG A 11 -2.935 19.684 10.641 1.00 0.00 C ATOM 115 NH1 ARG A 11 -1.777 19.543 11.272 1.00 0.00 N ATOM 116 NH2 ARG A 11 -3.806 20.594 11.058 1.00 0.00 N ATOM 0 H ARG A 11 -2.448 14.985 5.824 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.514 16.308 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.068 14.728 7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.066 15.293 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.134 17.191 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.081 16.749 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.811 17.402 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.555 18.365 8.458 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.121 19.050 9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.105 18.844 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.558 20.133 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.698 20.705 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.584 21.182 11.861 1.00 0.00 H new ATOM 130 N GLU A 12 0.437 14.285 8.857 1.00 0.00 N ATOM 131 CA GLU A 12 1.272 13.179 9.312 1.00 0.00 C ATOM 132 C GLU A 12 0.416 12.031 9.838 1.00 0.00 C ATOM 133 O GLU A 12 -0.265 12.164 10.855 1.00 0.00 O ATOM 134 CB GLU A 12 2.234 13.653 10.404 1.00 0.00 C ATOM 135 CG GLU A 12 3.242 12.597 10.828 1.00 0.00 C ATOM 136 CD GLU A 12 3.958 12.958 12.115 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.273 13.129 13.146 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.201 13.069 12.092 1.00 0.00 O ATOM 0 H GLU A 12 0.475 15.114 9.449 1.00 0.00 H new ATOM 0 HA GLU A 12 1.849 12.819 8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.770 14.532 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.657 13.963 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.731 11.643 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.976 12.461 10.034 1.00 0.00 H new ATOM 145 N LEU A 13 0.455 10.903 9.137 1.00 0.00 N ATOM 146 CA LEU A 13 -0.317 9.730 9.531 1.00 0.00 C ATOM 147 C LEU A 13 0.604 8.582 9.933 1.00 0.00 C ATOM 148 O LEU A 13 1.821 8.662 9.766 1.00 0.00 O ATOM 149 CB LEU A 13 -1.231 9.289 8.387 1.00 0.00 C ATOM 150 CG LEU A 13 -2.570 10.020 8.277 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.298 9.612 7.006 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.431 9.741 9.500 1.00 0.00 C ATOM 0 H LEU A 13 1.013 10.776 8.293 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.928 10.000 10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.692 9.417 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.430 8.223 8.498 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.375 11.091 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.248 10.142 6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.686 9.863 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.482 8.538 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.380 10.269 9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.618 8.670 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.913 10.084 10.396 1.00 0.00 H new ATOM 164 N CYS A 14 0.014 7.515 10.461 1.00 0.00 N ATOM 165 CA CYS A 14 0.781 6.349 10.885 1.00 0.00 C ATOM 166 C CYS A 14 -0.059 5.080 10.785 1.00 0.00 C ATOM 167 O CYS A 14 -1.288 5.138 10.760 1.00 0.00 O ATOM 168 CB CYS A 14 1.278 6.534 12.320 1.00 0.00 C ATOM 169 SG CYS A 14 0.014 7.132 13.467 1.00 0.00 S ATOM 0 H CYS A 14 -0.992 7.433 10.606 1.00 0.00 H new ATOM 0 HA CYS A 14 1.639 6.248 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.664 5.582 12.685 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.112 7.236 12.317 1.00 0.00 H new ATOM 0 HG CYS A 14 0.529 7.255 14.654 1.00 0.00 H new ATOM 175 N ILE A 15 0.614 3.935 10.726 1.00 0.00 N ATOM 176 CA ILE A 15 -0.071 2.652 10.628 1.00 0.00 C ATOM 177 C ILE A 15 0.438 1.675 11.682 1.00 0.00 C ATOM 178 O ILE A 15 1.586 1.234 11.630 1.00 0.00 O ATOM 179 CB ILE A 15 0.108 2.024 9.233 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.411 2.974 8.151 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.610 0.685 9.159 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.161 2.481 6.743 1.00 0.00 C ATOM 0 H ILE A 15 1.632 3.870 10.744 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.130 2.846 10.797 1.00 0.00 H new ATOM 0 HB ILE A 15 1.171 1.854 9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.482 3.121 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.063 3.948 8.276 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.474 0.254 8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.198 0.009 9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.673 0.831 9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.555 3.204 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.911 2.361 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.658 1.522 6.600 1.00 0.00 H new ATOM 194 N GLN A 16 -0.424 1.340 12.636 1.00 0.00 N ATOM 195 CA GLN A 16 -0.062 0.414 13.702 1.00 0.00 C ATOM 196 C GLN A 16 -0.156 -1.031 13.223 1.00 0.00 C ATOM 197 O GLN A 16 -1.182 -1.454 12.691 1.00 0.00 O ATOM 198 CB GLN A 16 -0.968 0.621 14.917 1.00 0.00 C ATOM 199 CG GLN A 16 -0.410 1.607 15.931 1.00 0.00 C ATOM 200 CD GLN A 16 -1.497 2.316 16.714 1.00 0.00 C ATOM 201 OE1 GLN A 16 -1.853 1.903 17.818 1.00 0.00 O ATOM 202 NE2 GLN A 16 -2.031 3.391 16.146 1.00 0.00 N ATOM 0 H GLN A 16 -1.378 1.696 12.693 1.00 0.00 H new ATOM 0 HA GLN A 16 0.970 0.616 13.989 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.942 0.974 14.578 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.130 -0.339 15.407 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.245 1.079 16.623 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.202 2.347 15.414 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.706 3.698 15.229 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.766 3.909 16.626 1.00 0.00 H new ATOM 211 N LYS A 17 0.922 -1.784 13.415 1.00 0.00 N ATOM 212 CA LYS A 17 0.961 -3.183 13.004 1.00 0.00 C ATOM 213 C LYS A 17 1.675 -4.036 14.047 1.00 0.00 C ATOM 214 O LYS A 17 2.231 -3.516 15.014 1.00 0.00 O ATOM 215 CB LYS A 17 1.664 -3.318 11.651 1.00 0.00 C ATOM 216 CG LYS A 17 3.157 -3.573 11.764 1.00 0.00 C ATOM 217 CD LYS A 17 3.879 -3.238 10.470 1.00 0.00 C ATOM 218 CE LYS A 17 3.899 -1.738 10.215 1.00 0.00 C ATOM 219 NZ LYS A 17 4.474 -0.988 11.366 1.00 0.00 N ATOM 0 H LYS A 17 1.780 -1.449 13.853 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.065 -3.538 12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.206 -4.134 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.502 -2.407 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.569 -2.975 12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.330 -4.619 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.901 -3.614 10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.389 -3.743 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.482 -1.530 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.884 -1.388 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.753 -0.036 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.762 -0.911 12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.309 -1.493 11.727 1.00 0.00 H new ATOM 233 N ALA A 18 1.657 -5.349 13.844 1.00 0.00 N ATOM 234 CA ALA A 18 2.305 -6.274 14.765 1.00 0.00 C ATOM 235 C ALA A 18 3.805 -6.011 14.842 1.00 0.00 C ATOM 236 O ALA A 18 4.369 -5.255 14.050 1.00 0.00 O ATOM 237 CB ALA A 18 2.041 -7.712 14.343 1.00 0.00 C ATOM 0 H ALA A 18 1.200 -5.796 13.049 1.00 0.00 H new ATOM 0 HA ALA A 18 1.883 -6.115 15.757 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.531 -8.392 15.040 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.967 -7.901 14.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.435 -7.875 13.340 1.00 0.00 H new ATOM 243 N PRO A 19 4.469 -6.646 15.819 1.00 0.00 N ATOM 244 CA PRO A 19 5.913 -6.495 16.023 1.00 0.00 C ATOM 245 C PRO A 19 6.727 -7.149 14.911 1.00 0.00 C ATOM 246 O PRO A 19 7.954 -7.066 14.896 1.00 0.00 O ATOM 247 CB PRO A 19 6.160 -7.208 17.355 1.00 0.00 C ATOM 248 CG PRO A 19 5.050 -8.196 17.467 1.00 0.00 C ATOM 249 CD PRO A 19 3.862 -7.561 16.800 1.00 0.00 C ATOM 0 HA PRO A 19 6.217 -5.448 16.021 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.132 -7.701 17.366 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.150 -6.505 18.188 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.314 -9.136 16.982 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.835 -8.425 18.511 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.228 -8.304 16.317 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.238 -7.026 17.516 1.00 0.00 H new ATOM 257 N GLY A 20 6.034 -7.798 13.980 1.00 0.00 N ATOM 258 CA GLY A 20 6.710 -8.456 12.877 1.00 0.00 C ATOM 259 C GLY A 20 5.787 -8.711 11.702 1.00 0.00 C ATOM 260 O GLY A 20 5.924 -9.716 11.005 1.00 0.00 O ATOM 0 H GLY A 20 5.017 -7.880 13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.549 -7.841 12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.125 -9.403 13.222 1.00 0.00 H new ATOM 264 N GLU A 21 4.844 -7.800 11.483 1.00 0.00 N ATOM 265 CA GLU A 21 3.894 -7.933 10.385 1.00 0.00 C ATOM 266 C GLU A 21 4.292 -7.044 9.210 1.00 0.00 C ATOM 267 O GLU A 21 4.695 -5.896 9.395 1.00 0.00 O ATOM 268 CB GLU A 21 2.483 -7.574 10.855 1.00 0.00 C ATOM 269 CG GLU A 21 1.431 -7.686 9.765 1.00 0.00 C ATOM 270 CD GLU A 21 1.487 -9.013 9.033 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.931 -10.009 9.642 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.087 -9.055 7.851 1.00 0.00 O ATOM 0 H GLU A 21 4.718 -6.962 12.051 1.00 0.00 H new ATOM 0 HA GLU A 21 3.905 -8.971 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.208 -8.228 11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.486 -6.555 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.442 -7.560 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.567 -6.875 9.050 1.00 0.00 H new ATOM 279 N ARG A 22 4.175 -7.584 8.001 1.00 0.00 N ATOM 280 CA ARG A 22 4.524 -6.841 6.796 1.00 0.00 C ATOM 281 C ARG A 22 3.380 -5.923 6.373 1.00 0.00 C ATOM 282 O ARG A 22 2.279 -6.384 6.072 1.00 0.00 O ATOM 283 CB ARG A 22 4.865 -7.805 5.658 1.00 0.00 C ATOM 284 CG ARG A 22 6.291 -8.330 5.711 1.00 0.00 C ATOM 285 CD ARG A 22 6.419 -9.667 5.000 1.00 0.00 C ATOM 286 NE ARG A 22 6.143 -9.555 3.570 1.00 0.00 N ATOM 287 CZ ARG A 22 6.001 -10.602 2.765 1.00 0.00 C ATOM 288 NH1 ARG A 22 6.109 -11.833 3.246 1.00 0.00 N ATOM 289 NH2 ARG A 22 5.750 -10.419 1.475 1.00 0.00 N ATOM 0 H ARG A 22 3.841 -8.533 7.830 1.00 0.00 H new ATOM 0 HA ARG A 22 5.397 -6.227 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.175 -8.648 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.708 -7.299 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.964 -7.606 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.602 -8.438 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.425 -10.060 5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.730 -10.383 5.447 1.00 0.00 H new ATOM 0 HE ARG A 22 6.054 -8.622 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.302 -11.978 4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.999 -12.635 2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.666 -9.474 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.641 -11.224 0.857 1.00 0.00 H new ATOM 303 N LEU A 23 3.650 -4.623 6.354 1.00 0.00 N ATOM 304 CA LEU A 23 2.644 -3.639 5.968 1.00 0.00 C ATOM 305 C LEU A 23 1.682 -4.219 4.936 1.00 0.00 C ATOM 306 O LEU A 23 0.470 -4.027 5.025 1.00 0.00 O ATOM 307 CB LEU A 23 3.317 -2.385 5.408 1.00 0.00 C ATOM 308 CG LEU A 23 2.574 -1.067 5.631 1.00 0.00 C ATOM 309 CD1 LEU A 23 1.103 -1.217 5.276 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.732 -0.604 7.072 1.00 0.00 C ATOM 0 H LEU A 23 4.556 -4.225 6.601 1.00 0.00 H new ATOM 0 HA LEU A 23 2.074 -3.371 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.308 -2.300 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.460 -2.522 4.336 1.00 0.00 H new ATOM 0 HG LEU A 23 3.009 -0.311 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.590 -0.269 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.009 -1.503 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.654 -1.986 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.197 0.335 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.323 -1.359 7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.789 -0.456 7.293 1.00 0.00 H new ATOM 322 N GLY A 24 2.232 -4.931 3.957 1.00 0.00 N ATOM 323 CA GLY A 24 1.409 -5.530 2.922 1.00 0.00 C ATOM 324 C GLY A 24 0.885 -4.507 1.934 1.00 0.00 C ATOM 325 O GLY A 24 -0.271 -4.572 1.517 1.00 0.00 O ATOM 0 H GLY A 24 3.233 -5.104 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.991 -6.281 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.569 -6.048 3.384 1.00 0.00 H new ATOM 329 N ILE A 25 1.738 -3.559 1.558 1.00 0.00 N ATOM 330 CA ILE A 25 1.354 -2.518 0.613 1.00 0.00 C ATOM 331 C ILE A 25 2.235 -2.553 -0.631 1.00 0.00 C ATOM 332 O ILE A 25 3.321 -3.133 -0.619 1.00 0.00 O ATOM 333 CB ILE A 25 1.440 -1.119 1.250 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.647 -1.035 2.187 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.156 -0.799 2.002 1.00 0.00 C ATOM 336 CD1 ILE A 25 3.245 0.352 2.278 1.00 0.00 C ATOM 0 H ILE A 25 2.699 -3.491 1.893 1.00 0.00 H new ATOM 0 HA ILE A 25 0.320 -2.716 0.329 1.00 0.00 H new ATOM 0 HB ILE A 25 1.567 -0.382 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.347 -1.359 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.413 -1.730 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.232 0.193 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.686 -0.823 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.001 -1.538 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.096 0.337 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.577 0.671 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.494 1.048 2.651 1.00 0.00 H new ATOM 348 N SER A 26 1.760 -1.927 -1.704 1.00 0.00 N ATOM 349 CA SER A 26 2.504 -1.888 -2.957 1.00 0.00 C ATOM 350 C SER A 26 2.588 -0.463 -3.495 1.00 0.00 C ATOM 351 O SER A 26 1.598 0.270 -3.498 1.00 0.00 O ATOM 352 CB SER A 26 1.844 -2.798 -3.995 1.00 0.00 C ATOM 353 OG SER A 26 2.401 -4.101 -3.958 1.00 0.00 O ATOM 0 H SER A 26 0.864 -1.440 -1.730 1.00 0.00 H new ATOM 0 HA SER A 26 3.515 -2.245 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.772 -2.852 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.972 -2.372 -4.990 1.00 0.00 H new ATOM 0 HG SER A 26 1.961 -4.664 -4.629 1.00 0.00 H new ATOM 359 N ILE A 27 3.776 -0.077 -3.948 1.00 0.00 N ATOM 360 CA ILE A 27 3.990 1.259 -4.489 1.00 0.00 C ATOM 361 C ILE A 27 4.676 1.199 -5.849 1.00 0.00 C ATOM 362 O ILE A 27 5.356 0.223 -6.170 1.00 0.00 O ATOM 363 CB ILE A 27 4.838 2.123 -3.537 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.298 1.667 -3.563 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.281 2.055 -2.123 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.222 2.551 -2.755 1.00 0.00 C ATOM 0 H ILE A 27 4.605 -0.671 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 27 3.006 1.714 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 27 4.795 3.159 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.359 0.648 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.644 1.642 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.891 2.671 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.255 2.423 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.297 1.022 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.240 2.168 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.191 3.567 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.901 2.557 -1.713 1.00 0.00 H new ATOM 378 N ARG A 28 4.496 2.248 -6.644 1.00 0.00 N ATOM 379 CA ARG A 28 5.098 2.315 -7.970 1.00 0.00 C ATOM 380 C ARG A 28 5.772 3.665 -8.194 1.00 0.00 C ATOM 381 O ARG A 28 5.193 4.714 -7.913 1.00 0.00 O ATOM 382 CB ARG A 28 4.039 2.076 -9.048 1.00 0.00 C ATOM 383 CG ARG A 28 2.948 3.134 -9.074 1.00 0.00 C ATOM 384 CD ARG A 28 2.106 3.035 -10.337 1.00 0.00 C ATOM 385 NE ARG A 28 2.647 3.852 -11.420 1.00 0.00 N ATOM 386 CZ ARG A 28 2.064 3.977 -12.607 1.00 0.00 C ATOM 387 NH1 ARG A 28 0.929 3.342 -12.862 1.00 0.00 N ATOM 388 NH2 ARG A 28 2.617 4.739 -13.542 1.00 0.00 N ATOM 0 H ARG A 28 3.938 3.064 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 28 5.856 1.535 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.526 2.044 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.583 1.099 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.308 3.020 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.399 4.125 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.055 1.995 -10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.086 3.352 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 28 3.520 4.354 -11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.501 2.755 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.484 3.440 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.490 5.229 -13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.169 4.834 -14.453 1.00 0.00 H new ATOM 402 N GLY A 29 7.000 3.632 -8.703 1.00 0.00 N ATOM 403 CA GLY A 29 7.732 4.859 -8.955 1.00 0.00 C ATOM 404 C GLY A 29 9.234 4.654 -8.928 1.00 0.00 C ATOM 405 O GLY A 29 9.743 3.670 -9.463 1.00 0.00 O ATOM 0 H GLY A 29 7.501 2.777 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.440 5.259 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.456 5.603 -8.208 1.00 0.00 H new ATOM 409 N GLY A 30 9.946 5.587 -8.304 1.00 0.00 N ATOM 410 CA GLY A 30 11.392 5.487 -8.222 1.00 0.00 C ATOM 411 C GLY A 30 12.093 6.624 -8.939 1.00 0.00 C ATOM 412 O GLY A 30 11.534 7.228 -9.854 1.00 0.00 O ATOM 0 H GLY A 30 9.547 6.411 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.694 5.481 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.713 4.538 -8.652 1.00 0.00 H new ATOM 611 N GLY A 45 8.168 10.255 -9.403 1.00 0.00 N ATOM 612 CA GLY A 45 7.326 10.199 -8.223 1.00 0.00 C ATOM 613 C GLY A 45 7.002 8.777 -7.808 1.00 0.00 C ATOM 614 O GLY A 45 7.185 7.840 -8.585 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.825 10.710 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.399 10.738 -8.416 1.00 0.00 H new ATOM 618 N ILE A 46 6.523 8.616 -6.579 1.00 0.00 N ATOM 619 CA ILE A 46 6.174 7.298 -6.063 1.00 0.00 C ATOM 620 C ILE A 46 4.799 7.312 -5.403 1.00 0.00 C ATOM 621 O ILE A 46 4.585 8.001 -4.406 1.00 0.00 O ATOM 622 CB ILE A 46 7.215 6.799 -5.044 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.605 6.757 -5.682 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.826 5.426 -4.518 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.733 6.887 -4.682 1.00 0.00 C ATOM 0 H ILE A 46 6.368 9.381 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 46 6.158 6.619 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 46 7.242 7.493 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.718 5.819 -6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.685 7.561 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.572 5.087 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.853 5.485 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.774 4.720 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.689 6.849 -5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.645 7.837 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.679 6.068 -3.964 1.00 0.00 H new ATOM 637 N PHE A 47 3.871 6.545 -5.965 1.00 0.00 N ATOM 638 CA PHE A 47 2.516 6.469 -5.431 1.00 0.00 C ATOM 639 C PHE A 47 2.083 5.016 -5.255 1.00 0.00 C ATOM 640 O PHE A 47 2.599 4.118 -5.921 1.00 0.00 O ATOM 641 CB PHE A 47 1.539 7.196 -6.356 1.00 0.00 C ATOM 642 CG PHE A 47 1.977 8.587 -6.717 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.155 8.797 -7.414 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.210 9.684 -6.359 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.561 10.075 -7.748 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.610 10.964 -6.691 1.00 0.00 C ATOM 647 CZ PHE A 47 2.788 11.160 -7.385 1.00 0.00 C ATOM 0 H PHE A 47 4.032 5.967 -6.790 1.00 0.00 H new ATOM 0 HA PHE A 47 2.509 6.953 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.415 6.614 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.563 7.245 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.764 7.952 -7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.289 9.537 -5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.482 10.225 -8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.002 11.811 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.104 12.160 -7.643 1.00 0.00 H new ATOM 657 N ILE A 48 1.132 4.794 -4.353 1.00 0.00 N ATOM 658 CA ILE A 48 0.629 3.452 -4.090 1.00 0.00 C ATOM 659 C ILE A 48 -0.074 2.878 -5.315 1.00 0.00 C ATOM 660 O ILE A 48 -0.983 3.496 -5.868 1.00 0.00 O ATOM 661 CB ILE A 48 -0.348 3.441 -2.899 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.349 3.945 -1.634 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.904 2.041 -2.683 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.574 4.063 -0.442 1.00 0.00 C ATOM 0 H ILE A 48 0.695 5.526 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 48 1.493 2.833 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.179 4.110 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.166 3.268 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.793 4.919 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.593 2.049 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.433 1.717 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.085 1.352 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.012 4.426 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.378 4.763 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.999 3.086 -0.212 1.00 0.00 H new ATOM 676 N SER A 49 0.353 1.691 -5.733 1.00 0.00 N ATOM 677 CA SER A 49 -0.234 1.033 -6.895 1.00 0.00 C ATOM 678 C SER A 49 -1.136 -0.121 -6.468 1.00 0.00 C ATOM 679 O SER A 49 -1.974 -0.589 -7.239 1.00 0.00 O ATOM 680 CB SER A 49 0.866 0.518 -7.826 1.00 0.00 C ATOM 681 OG SER A 49 0.430 -0.620 -8.549 1.00 0.00 O ATOM 0 H SER A 49 1.103 1.165 -5.285 1.00 0.00 H new ATOM 0 HA SER A 49 -0.839 1.766 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.156 1.305 -8.522 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.752 0.265 -7.243 1.00 0.00 H new ATOM 0 HG SER A 49 1.150 -0.929 -9.138 1.00 0.00 H new ATOM 687 N LYS A 50 -0.958 -0.577 -5.232 1.00 0.00 N ATOM 688 CA LYS A 50 -1.755 -1.675 -4.699 1.00 0.00 C ATOM 689 C LYS A 50 -1.606 -1.770 -3.184 1.00 0.00 C ATOM 690 O LYS A 50 -0.596 -1.348 -2.622 1.00 0.00 O ATOM 691 CB LYS A 50 -1.337 -2.997 -5.347 1.00 0.00 C ATOM 692 CG LYS A 50 -1.749 -4.222 -4.550 1.00 0.00 C ATOM 693 CD LYS A 50 -1.070 -5.479 -5.068 1.00 0.00 C ATOM 694 CE LYS A 50 -1.908 -6.719 -4.794 1.00 0.00 C ATOM 695 NZ LYS A 50 -2.989 -6.891 -5.803 1.00 0.00 N ATOM 0 H LYS A 50 -0.268 -0.202 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.801 -1.478 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.775 -3.058 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.254 -3.004 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.495 -4.076 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.831 -4.344 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.897 -5.385 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.093 -5.587 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.265 -7.599 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.348 -6.648 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.537 -7.746 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.617 -6.062 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.569 -6.985 -6.750 1.00 0.00 H new ATOM 709 N VAL A 51 -2.619 -2.328 -2.528 1.00 0.00 N ATOM 710 CA VAL A 51 -2.599 -2.481 -1.078 1.00 0.00 C ATOM 711 C VAL A 51 -3.299 -3.766 -0.652 1.00 0.00 C ATOM 712 O VAL A 51 -4.461 -3.993 -0.986 1.00 0.00 O ATOM 713 CB VAL A 51 -3.274 -1.286 -0.379 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.279 -1.482 1.129 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.577 0.013 -0.754 1.00 0.00 C ATOM 0 H VAL A 51 -3.463 -2.681 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.552 -2.524 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.309 -1.227 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.760 -0.628 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.827 -2.391 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.253 -1.568 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.067 0.847 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.532 -0.033 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.632 0.157 -1.833 1.00 0.00 H new ATOM 725 N SER A 52 -2.582 -4.605 0.089 1.00 0.00 N ATOM 726 CA SER A 52 -3.133 -5.871 0.560 1.00 0.00 C ATOM 727 C SER A 52 -4.234 -5.635 1.589 1.00 0.00 C ATOM 728 O SER A 52 -4.088 -4.846 2.522 1.00 0.00 O ATOM 729 CB SER A 52 -2.028 -6.738 1.168 1.00 0.00 C ATOM 730 OG SER A 52 -2.366 -8.112 1.107 1.00 0.00 O ATOM 0 H SER A 52 -1.619 -4.431 0.376 1.00 0.00 H new ATOM 0 HA SER A 52 -3.564 -6.392 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.093 -6.567 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.862 -6.447 2.205 1.00 0.00 H new ATOM 0 HG SER A 52 -1.643 -8.644 1.500 1.00 0.00 H new ATOM 736 N PRO A 53 -5.364 -6.337 1.416 1.00 0.00 N ATOM 737 CA PRO A 53 -6.513 -6.222 2.320 1.00 0.00 C ATOM 738 C PRO A 53 -6.233 -6.824 3.692 1.00 0.00 C ATOM 739 O PRO A 53 -7.030 -6.680 4.620 1.00 0.00 O ATOM 740 CB PRO A 53 -7.609 -7.013 1.602 1.00 0.00 C ATOM 741 CG PRO A 53 -6.875 -7.987 0.746 1.00 0.00 C ATOM 742 CD PRO A 53 -5.607 -7.296 0.326 1.00 0.00 C ATOM 0 HA PRO A 53 -6.777 -5.182 2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.260 -7.522 2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.242 -6.358 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.657 -8.903 1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.471 -8.270 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.782 -8.000 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.723 -6.793 -0.634 1.00 0.00 H new ATOM 750 N THR A 54 -5.095 -7.501 3.816 1.00 0.00 N ATOM 751 CA THR A 54 -4.711 -8.126 5.075 1.00 0.00 C ATOM 752 C THR A 54 -3.511 -7.419 5.696 1.00 0.00 C ATOM 753 O THR A 54 -3.146 -7.684 6.840 1.00 0.00 O ATOM 754 CB THR A 54 -4.371 -9.616 4.882 1.00 0.00 C ATOM 755 OG1 THR A 54 -3.205 -9.750 4.063 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.535 -10.357 4.242 1.00 0.00 C ATOM 0 H THR A 54 -4.423 -7.630 3.059 1.00 0.00 H new ATOM 0 HA THR A 54 -5.567 -8.040 5.745 1.00 0.00 H new ATOM 0 HB THR A 54 -4.178 -10.052 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.994 -10.700 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.272 -11.407 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.413 -10.277 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.755 -9.918 3.269 1.00 0.00 H new ATOM 764 N GLY A 55 -2.901 -6.517 4.933 1.00 0.00 N ATOM 765 CA GLY A 55 -1.749 -5.785 5.426 1.00 0.00 C ATOM 766 C GLY A 55 -2.120 -4.762 6.481 1.00 0.00 C ATOM 767 O GLY A 55 -3.298 -4.471 6.686 1.00 0.00 O ATOM 0 H GLY A 55 -3.184 -6.280 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.028 -6.487 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.259 -5.282 4.593 1.00 0.00 H new ATOM 771 N ALA A 56 -1.112 -4.216 7.153 1.00 0.00 N ATOM 772 CA ALA A 56 -1.338 -3.219 8.193 1.00 0.00 C ATOM 773 C ALA A 56 -2.123 -2.029 7.651 1.00 0.00 C ATOM 774 O ALA A 56 -2.939 -1.438 8.358 1.00 0.00 O ATOM 775 CB ALA A 56 -0.012 -2.756 8.778 1.00 0.00 C ATOM 0 H ALA A 56 -0.131 -4.447 6.996 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.929 -3.682 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.196 -2.012 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.512 -3.608 9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.599 -2.316 7.990 1.00 0.00 H new ATOM 781 N ALA A 57 -1.871 -1.683 6.393 1.00 0.00 N ATOM 782 CA ALA A 57 -2.555 -0.565 5.756 1.00 0.00 C ATOM 783 C ALA A 57 -3.995 -0.928 5.409 1.00 0.00 C ATOM 784 O ALA A 57 -4.938 -0.358 5.956 1.00 0.00 O ATOM 785 CB ALA A 57 -1.803 -0.127 4.508 1.00 0.00 C ATOM 0 H ALA A 57 -1.198 -2.161 5.795 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.577 0.265 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.326 0.709 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.794 0.183 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.750 -0.958 3.805 1.00 0.00 H new ATOM 791 N GLY A 58 -4.156 -1.880 4.495 1.00 0.00 N ATOM 792 CA GLY A 58 -5.485 -2.302 4.090 1.00 0.00 C ATOM 793 C GLY A 58 -6.442 -2.404 5.260 1.00 0.00 C ATOM 794 O GLY A 58 -7.610 -2.028 5.150 1.00 0.00 O ATOM 0 H GLY A 58 -3.391 -2.366 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.881 -1.595 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.420 -3.270 3.592 1.00 0.00 H new ATOM 798 N ARG A 59 -5.949 -2.915 6.383 1.00 0.00 N ATOM 799 CA ARG A 59 -6.771 -3.068 7.578 1.00 0.00 C ATOM 800 C ARG A 59 -6.959 -1.729 8.284 1.00 0.00 C ATOM 801 O ARG A 59 -7.969 -1.505 8.953 1.00 0.00 O ATOM 802 CB ARG A 59 -6.133 -4.076 8.536 1.00 0.00 C ATOM 803 CG ARG A 59 -4.868 -3.564 9.205 1.00 0.00 C ATOM 804 CD ARG A 59 -4.266 -4.608 10.133 1.00 0.00 C ATOM 805 NE ARG A 59 -3.544 -3.999 11.247 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.284 -4.630 12.386 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.685 -5.881 12.562 1.00 0.00 N ATOM 808 NH2 ARG A 59 -2.621 -4.009 13.354 1.00 0.00 N ATOM 0 H ARG A 59 -4.985 -3.230 6.491 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.749 -3.438 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.858 -4.343 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.900 -4.989 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.138 -3.289 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.095 -2.660 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.058 -5.248 10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.588 -5.247 9.568 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.222 -3.037 11.144 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.195 -6.362 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.484 -6.363 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.311 -3.046 13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.422 -4.495 14.229 1.00 0.00 H new ATOM 822 N ASP A 60 -5.982 -0.843 8.130 1.00 0.00 N ATOM 823 CA ASP A 60 -6.040 0.475 8.752 1.00 0.00 C ATOM 824 C ASP A 60 -7.330 1.197 8.376 1.00 0.00 C ATOM 825 O ASP A 60 -8.165 1.485 9.232 1.00 0.00 O ATOM 826 CB ASP A 60 -4.831 1.314 8.334 1.00 0.00 C ATOM 827 CG ASP A 60 -4.680 2.569 9.170 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.630 3.379 9.201 1.00 0.00 O ATOM 829 OD2 ASP A 60 -3.612 2.743 9.793 1.00 0.00 O ATOM 0 H ASP A 60 -5.140 -1.013 7.580 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.022 0.340 9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.927 0.712 8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.930 1.590 7.284 1.00 0.00 H new ATOM 834 N GLY A 61 -7.485 1.489 7.088 1.00 0.00 N ATOM 835 CA GLY A 61 -8.675 2.176 6.621 1.00 0.00 C ATOM 836 C GLY A 61 -8.350 3.452 5.869 1.00 0.00 C ATOM 837 O GLY A 61 -9.142 3.915 5.048 1.00 0.00 O ATOM 0 H GLY A 61 -6.808 1.262 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.244 1.510 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.312 2.412 7.473 1.00 0.00 H new ATOM 841 N ARG A 62 -7.183 4.022 6.150 1.00 0.00 N ATOM 842 CA ARG A 62 -6.757 5.254 5.497 1.00 0.00 C ATOM 843 C ARG A 62 -5.926 4.950 4.254 1.00 0.00 C ATOM 844 O ARG A 62 -6.346 5.230 3.130 1.00 0.00 O ATOM 845 CB ARG A 62 -5.948 6.117 6.466 1.00 0.00 C ATOM 846 CG ARG A 62 -6.550 6.196 7.860 1.00 0.00 C ATOM 847 CD ARG A 62 -7.718 7.168 7.908 1.00 0.00 C ATOM 848 NE ARG A 62 -8.884 6.658 7.192 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.886 7.426 6.777 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.862 8.732 7.005 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.913 6.888 6.132 1.00 0.00 N ATOM 0 H ARG A 62 -6.515 3.650 6.826 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.649 5.802 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.937 5.717 6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.864 7.124 6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.886 5.206 8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.785 6.509 8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.986 7.361 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.415 8.121 7.475 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.932 5.657 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.073 9.149 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.632 9.320 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.934 5.884 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.681 7.479 5.814 1.00 0.00 H new ATOM 865 N LEU A 63 -4.747 4.376 4.463 1.00 0.00 N ATOM 866 CA LEU A 63 -3.856 4.034 3.359 1.00 0.00 C ATOM 867 C LEU A 63 -4.609 3.291 2.261 1.00 0.00 C ATOM 868 O LEU A 63 -5.139 2.203 2.485 1.00 0.00 O ATOM 869 CB LEU A 63 -2.692 3.179 3.863 1.00 0.00 C ATOM 870 CG LEU A 63 -1.514 3.015 2.903 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.969 2.367 1.605 1.00 0.00 C ATOM 872 CD2 LEU A 63 -0.859 4.361 2.627 1.00 0.00 C ATOM 0 H LEU A 63 -4.385 4.137 5.386 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.464 4.961 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.321 3.616 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.075 2.189 4.109 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.777 2.363 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.117 2.259 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.391 1.385 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.726 2.993 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.022 4.225 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.589 5.036 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.496 4.788 3.562 1.00 0.00 H new ATOM 884 N ARG A 64 -4.652 3.886 1.073 1.00 0.00 N ATOM 885 CA ARG A 64 -5.340 3.280 -0.061 1.00 0.00 C ATOM 886 C ARG A 64 -4.580 3.538 -1.358 1.00 0.00 C ATOM 887 O ARG A 64 -3.834 4.511 -1.471 1.00 0.00 O ATOM 888 CB ARG A 64 -6.764 3.829 -0.173 1.00 0.00 C ATOM 889 CG ARG A 64 -6.827 5.261 -0.677 1.00 0.00 C ATOM 890 CD ARG A 64 -8.151 5.551 -1.366 1.00 0.00 C ATOM 891 NE ARG A 64 -9.256 5.632 -0.415 1.00 0.00 N ATOM 892 CZ ARG A 64 -10.403 6.252 -0.671 1.00 0.00 C ATOM 893 NH1 ARG A 64 -10.593 6.843 -1.843 1.00 0.00 N ATOM 894 NH2 ARG A 64 -11.361 6.282 0.245 1.00 0.00 N ATOM 0 H ARG A 64 -4.219 4.787 0.871 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.385 2.204 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.338 3.191 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.243 3.776 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.692 5.948 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.007 5.440 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.076 6.489 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.358 4.769 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.141 5.188 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.858 6.822 -2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.474 7.318 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.218 5.829 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.241 6.758 0.047 1.00 0.00 H new ATOM 908 N VAL A 65 -4.775 2.659 -2.337 1.00 0.00 N ATOM 909 CA VAL A 65 -4.109 2.791 -3.627 1.00 0.00 C ATOM 910 C VAL A 65 -4.503 4.092 -4.318 1.00 0.00 C ATOM 911 O VAL A 65 -5.614 4.224 -4.828 1.00 0.00 O ATOM 912 CB VAL A 65 -4.443 1.608 -4.555 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.740 1.765 -5.895 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.063 0.291 -3.895 1.00 0.00 C ATOM 0 H VAL A 65 -5.389 1.848 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.037 2.797 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.518 1.602 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.988 0.920 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.066 2.690 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.662 1.798 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.306 -0.535 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.994 0.285 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.617 0.178 -2.963 1.00 0.00 H new ATOM 924 N GLY A 66 -3.582 5.051 -4.331 1.00 0.00 N ATOM 925 CA GLY A 66 -3.852 6.330 -4.963 1.00 0.00 C ATOM 926 C GLY A 66 -3.141 7.478 -4.274 1.00 0.00 C ATOM 927 O GLY A 66 -2.838 8.495 -4.899 1.00 0.00 O ATOM 0 H GLY A 66 -2.654 4.965 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.542 6.289 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.926 6.516 -4.957 1.00 0.00 H new ATOM 931 N LEU A 67 -2.875 7.318 -2.982 1.00 0.00 N ATOM 932 CA LEU A 67 -2.197 8.351 -2.207 1.00 0.00 C ATOM 933 C LEU A 67 -0.709 8.394 -2.542 1.00 0.00 C ATOM 934 O LEU A 67 -0.074 7.355 -2.724 1.00 0.00 O ATOM 935 CB LEU A 67 -2.388 8.100 -0.710 1.00 0.00 C ATOM 936 CG LEU A 67 -3.783 8.386 -0.154 1.00 0.00 C ATOM 937 CD1 LEU A 67 -4.771 7.329 -0.624 1.00 0.00 C ATOM 938 CD2 LEU A 67 -3.749 8.448 1.366 1.00 0.00 C ATOM 0 H LEU A 67 -3.119 6.483 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.637 9.314 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.143 7.058 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.669 8.712 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.112 9.355 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.759 7.548 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.817 7.332 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.446 6.348 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.751 8.652 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.399 7.494 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.073 9.242 1.683 1.00 0.00 H new ATOM 950 N ARG A 68 -0.160 9.602 -2.618 1.00 0.00 N ATOM 951 CA ARG A 68 1.253 9.780 -2.930 1.00 0.00 C ATOM 952 C ARG A 68 2.099 9.732 -1.661 1.00 0.00 C ATOM 953 O ARG A 68 1.908 10.532 -0.744 1.00 0.00 O ATOM 954 CB ARG A 68 1.474 11.110 -3.653 1.00 0.00 C ATOM 955 CG ARG A 68 2.896 11.303 -4.152 1.00 0.00 C ATOM 956 CD ARG A 68 3.101 12.696 -4.726 1.00 0.00 C ATOM 957 NE ARG A 68 4.302 12.776 -5.553 1.00 0.00 N ATOM 958 CZ ARG A 68 4.846 13.921 -5.950 1.00 0.00 C ATOM 959 NH1 ARG A 68 4.300 15.076 -5.596 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.940 13.912 -6.701 1.00 0.00 N ATOM 0 H ARG A 68 -0.672 10.471 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 68 1.561 8.964 -3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.790 11.172 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.221 11.927 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.596 11.140 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.119 10.557 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.232 12.974 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.173 13.417 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 68 4.748 11.905 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.460 15.087 -5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.720 15.954 -5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.364 13.025 -6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.357 14.792 -7.005 1.00 0.00 H new ATOM 974 N LEU A 69 3.035 8.790 -1.616 1.00 0.00 N ATOM 975 CA LEU A 69 3.911 8.638 -0.459 1.00 0.00 C ATOM 976 C LEU A 69 4.858 9.827 -0.332 1.00 0.00 C ATOM 977 O LEU A 69 5.815 9.957 -1.096 1.00 0.00 O ATOM 978 CB LEU A 69 4.715 7.341 -0.572 1.00 0.00 C ATOM 979 CG LEU A 69 4.158 6.138 0.189 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.468 6.254 1.673 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.658 6.013 -0.036 1.00 0.00 C ATOM 0 H LEU A 69 3.207 8.121 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 69 3.288 8.597 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.791 7.075 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.728 7.533 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 69 4.639 5.237 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.064 5.389 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.548 6.294 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.015 7.163 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.278 5.151 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.161 6.916 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.459 5.882 -1.100 1.00 0.00 H new ATOM 993 N LEU A 70 4.585 10.692 0.639 1.00 0.00 N ATOM 994 CA LEU A 70 5.414 11.871 0.868 1.00 0.00 C ATOM 995 C LEU A 70 6.672 11.508 1.651 1.00 0.00 C ATOM 996 O LEU A 70 7.783 11.858 1.254 1.00 0.00 O ATOM 997 CB LEU A 70 4.620 12.938 1.623 1.00 0.00 C ATOM 998 CG LEU A 70 3.854 13.941 0.760 1.00 0.00 C ATOM 999 CD1 LEU A 70 4.735 14.457 -0.367 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.588 13.308 0.202 1.00 0.00 C ATOM 0 H LEU A 70 3.797 10.599 1.280 1.00 0.00 H new ATOM 0 HA LEU A 70 5.714 12.268 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.909 12.436 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.309 13.491 2.262 1.00 0.00 H new ATOM 0 HG LEU A 70 3.568 14.786 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.173 15.170 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.612 14.949 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.052 13.622 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.056 14.037 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.852 12.445 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.948 12.988 1.024 1.00 0.00 H new ATOM 1012 N GLU A 71 6.488 10.802 2.762 1.00 0.00 N ATOM 1013 CA GLU A 71 7.609 10.391 3.599 1.00 0.00 C ATOM 1014 C GLU A 71 7.224 9.208 4.483 1.00 0.00 C ATOM 1015 O GLU A 71 6.097 9.125 4.971 1.00 0.00 O ATOM 1016 CB GLU A 71 8.081 11.559 4.468 1.00 0.00 C ATOM 1017 CG GLU A 71 8.102 12.891 3.738 1.00 0.00 C ATOM 1018 CD GLU A 71 8.486 14.046 4.643 1.00 0.00 C ATOM 1019 OE1 GLU A 71 8.845 13.789 5.811 1.00 0.00 O ATOM 1020 OE2 GLU A 71 8.427 15.205 4.183 1.00 0.00 O ATOM 0 H GLU A 71 5.574 10.503 3.103 1.00 0.00 H new ATOM 0 HA GLU A 71 8.424 10.082 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.429 11.641 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.082 11.342 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.806 12.835 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.118 13.082 3.309 1.00 0.00 H new ATOM 1027 N VAL A 72 8.168 8.294 4.683 1.00 0.00 N ATOM 1028 CA VAL A 72 7.928 7.116 5.508 1.00 0.00 C ATOM 1029 C VAL A 72 8.800 7.134 6.759 1.00 0.00 C ATOM 1030 O VAL A 72 10.015 6.961 6.683 1.00 0.00 O ATOM 1031 CB VAL A 72 8.200 5.818 4.725 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.041 4.605 5.629 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.277 5.720 3.520 1.00 0.00 C ATOM 0 H VAL A 72 9.106 8.347 4.285 1.00 0.00 H new ATOM 0 HA VAL A 72 6.878 7.143 5.800 1.00 0.00 H new ATOM 0 HB VAL A 72 9.229 5.840 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.237 3.697 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.747 4.673 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.024 4.574 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.483 4.797 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.240 5.720 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.446 6.572 2.862 1.00 0.00 H new ATOM 1043 N ASN A 73 8.169 7.345 7.910 1.00 0.00 N ATOM 1044 CA ASN A 73 8.887 7.386 9.178 1.00 0.00 C ATOM 1045 C ASN A 73 9.839 8.578 9.226 1.00 0.00 C ATOM 1046 O ASN A 73 10.970 8.462 9.696 1.00 0.00 O ATOM 1047 CB ASN A 73 9.668 6.087 9.389 1.00 0.00 C ATOM 1048 CG ASN A 73 8.883 5.064 10.186 1.00 0.00 C ATOM 1049 OD1 ASN A 73 7.990 5.414 10.958 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.213 3.791 10.002 1.00 0.00 N ATOM 0 H ASN A 73 7.163 7.490 7.990 1.00 0.00 H new ATOM 0 HA ASN A 73 8.155 7.496 9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.932 5.664 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.602 6.308 9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.719 3.058 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.960 3.547 9.352 1.00 0.00 H new ATOM 1057 N GLN A 74 9.370 9.722 8.739 1.00 0.00 N ATOM 1058 CA GLN A 74 10.180 10.935 8.726 1.00 0.00 C ATOM 1059 C GLN A 74 11.392 10.771 7.816 1.00 0.00 C ATOM 1060 O GLN A 74 12.463 11.313 8.089 1.00 0.00 O ATOM 1061 CB GLN A 74 10.635 11.284 10.144 1.00 0.00 C ATOM 1062 CG GLN A 74 9.501 11.721 11.057 1.00 0.00 C ATOM 1063 CD GLN A 74 9.778 11.420 12.517 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.510 12.150 13.185 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.192 10.340 13.021 1.00 0.00 N ATOM 0 H GLN A 74 8.434 9.835 8.349 1.00 0.00 H new ATOM 0 HA GLN A 74 9.566 11.748 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.129 10.417 10.582 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.377 12.081 10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.334 12.791 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.582 11.219 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.593 9.763 12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.341 10.088 13.998 1.00 0.00 H new ATOM 1074 N GLN A 75 11.216 10.019 6.734 1.00 0.00 N ATOM 1075 CA GLN A 75 12.297 9.784 5.784 1.00 0.00 C ATOM 1076 C GLN A 75 11.851 10.103 4.361 1.00 0.00 C ATOM 1077 O GLN A 75 11.332 9.240 3.654 1.00 0.00 O ATOM 1078 CB GLN A 75 12.771 8.332 5.869 1.00 0.00 C ATOM 1079 CG GLN A 75 13.178 7.905 7.270 1.00 0.00 C ATOM 1080 CD GLN A 75 14.214 6.798 7.265 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.306 6.957 6.719 1.00 0.00 O ATOM 1082 NE2 GLN A 75 13.877 5.669 7.876 1.00 0.00 N ATOM 0 H GLN A 75 10.336 9.563 6.494 1.00 0.00 H new ATOM 0 HA GLN A 75 13.124 10.445 6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.974 7.677 5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.618 8.195 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.575 8.766 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.295 7.569 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.961 5.581 8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.534 4.890 7.906 1.00 0.00 H new ATOM 1091 N SER A 76 12.057 11.350 3.948 1.00 0.00 N ATOM 1092 CA SER A 76 11.672 11.785 2.610 1.00 0.00 C ATOM 1093 C SER A 76 12.114 10.770 1.560 1.00 0.00 C ATOM 1094 O SER A 76 13.275 10.359 1.528 1.00 0.00 O ATOM 1095 CB SER A 76 12.281 13.154 2.301 1.00 0.00 C ATOM 1096 OG SER A 76 11.883 13.612 1.020 1.00 0.00 O ATOM 0 H SER A 76 12.488 12.076 4.520 1.00 0.00 H new ATOM 0 HA SER A 76 10.585 11.863 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.972 13.873 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.368 13.090 2.346 1.00 0.00 H new ATOM 0 HG SER A 76 12.284 14.489 0.847 1.00 0.00 H new ATOM 1102 N LEU A 77 11.182 10.370 0.704 1.00 0.00 N ATOM 1103 CA LEU A 77 11.474 9.402 -0.349 1.00 0.00 C ATOM 1104 C LEU A 77 12.190 10.070 -1.518 1.00 0.00 C ATOM 1105 O LEU A 77 12.533 9.417 -2.505 1.00 0.00 O ATOM 1106 CB LEU A 77 10.182 8.744 -0.836 1.00 0.00 C ATOM 1107 CG LEU A 77 9.345 8.038 0.231 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.282 7.163 -0.416 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.235 7.209 1.146 1.00 0.00 C ATOM 0 H LEU A 77 10.217 10.700 0.717 1.00 0.00 H new ATOM 0 HA LEU A 77 12.130 8.637 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.564 9.508 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.436 8.018 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 77 8.845 8.797 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.696 6.669 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.625 7.781 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.762 6.411 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.622 6.714 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.763 6.459 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.958 7.860 1.638 1.00 0.00 H new ATOM 1121 N LEU A 78 12.415 11.374 -1.401 1.00 0.00 N ATOM 1122 CA LEU A 78 13.093 12.131 -2.448 1.00 0.00 C ATOM 1123 C LEU A 78 14.594 11.863 -2.427 1.00 0.00 C ATOM 1124 O LEU A 78 15.278 12.179 -1.455 1.00 0.00 O ATOM 1125 CB LEU A 78 12.828 13.627 -2.276 1.00 0.00 C ATOM 1126 CG LEU A 78 12.874 14.468 -3.552 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.238 14.357 -4.215 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.775 14.040 -4.513 1.00 0.00 C ATOM 0 H LEU A 78 12.138 11.929 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 78 12.698 11.807 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.847 13.751 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.560 14.027 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 78 12.707 15.511 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.252 14.962 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.006 14.713 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.435 13.316 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.823 14.649 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.910 12.991 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.803 14.173 -4.037 1.00 0.00 H new ATOM 1140 N GLY A 79 15.101 11.280 -3.510 1.00 0.00 N ATOM 1141 CA GLY A 79 16.519 10.982 -3.596 1.00 0.00 C ATOM 1142 C GLY A 79 16.791 9.498 -3.741 1.00 0.00 C ATOM 1143 O GLY A 79 17.736 9.096 -4.421 1.00 0.00 O ATOM 0 H GLY A 79 14.555 11.009 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.948 11.512 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.020 11.355 -2.703 1.00 0.00 H new ATOM 1147 N LEU A 80 15.963 8.680 -3.099 1.00 0.00 N ATOM 1148 CA LEU A 80 16.120 7.231 -3.158 1.00 0.00 C ATOM 1149 C LEU A 80 15.364 6.650 -4.349 1.00 0.00 C ATOM 1150 O LEU A 80 14.595 7.347 -5.011 1.00 0.00 O ATOM 1151 CB LEU A 80 15.622 6.591 -1.861 1.00 0.00 C ATOM 1152 CG LEU A 80 14.416 7.261 -1.203 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.595 6.240 -0.430 1.00 0.00 C ATOM 1154 CD2 LEU A 80 14.866 8.390 -0.287 1.00 0.00 C ATOM 0 H LEU A 80 15.176 8.996 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 80 17.180 7.009 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.368 5.551 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.443 6.582 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 80 13.788 7.685 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.741 6.735 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.242 5.466 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.214 5.787 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.994 8.855 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.516 7.990 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.411 9.135 -0.868 1.00 0.00 H new ATOM 1166 N THR A 81 15.586 5.366 -4.614 1.00 0.00 N ATOM 1167 CA THR A 81 14.925 4.690 -5.724 1.00 0.00 C ATOM 1168 C THR A 81 13.861 3.721 -5.221 1.00 0.00 C ATOM 1169 O THR A 81 13.873 3.318 -4.058 1.00 0.00 O ATOM 1170 CB THR A 81 15.936 3.919 -6.594 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.698 3.020 -5.780 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.873 4.877 -7.313 1.00 0.00 C ATOM 0 H THR A 81 16.218 4.774 -4.075 1.00 0.00 H new ATOM 0 HA THR A 81 14.452 5.463 -6.329 1.00 0.00 H new ATOM 0 HB THR A 81 15.380 3.351 -7.340 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.337 2.533 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.578 4.309 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.293 5.541 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.421 5.469 -6.580 1.00 0.00 H new ATOM 1180 N HIS A 82 12.941 3.349 -6.106 1.00 0.00 N ATOM 1181 CA HIS A 82 11.870 2.425 -5.752 1.00 0.00 C ATOM 1182 C HIS A 82 12.348 1.409 -4.719 1.00 0.00 C ATOM 1183 O HIS A 82 11.733 1.242 -3.667 1.00 0.00 O ATOM 1184 CB HIS A 82 11.359 1.702 -6.998 1.00 0.00 C ATOM 1185 CG HIS A 82 9.941 1.234 -6.880 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.547 -0.055 -7.170 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.820 1.892 -6.500 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.245 -0.170 -6.975 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.781 0.998 -6.567 1.00 0.00 N ATOM 0 H HIS A 82 12.916 3.673 -7.073 1.00 0.00 H new ATOM 0 HA HIS A 82 11.054 3.002 -5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.442 2.370 -7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.001 0.844 -7.199 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.164 -0.803 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.756 2.928 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.660 -1.066 -7.124 1.00 0.00 H new ATOM 1198 N GLY A 83 13.449 0.731 -5.029 1.00 0.00 N ATOM 1199 CA GLY A 83 13.990 -0.261 -4.119 1.00 0.00 C ATOM 1200 C GLY A 83 14.234 0.297 -2.731 1.00 0.00 C ATOM 1201 O GLY A 83 13.813 -0.291 -1.735 1.00 0.00 O ATOM 0 H GLY A 83 13.976 0.851 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.301 -1.103 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.926 -0.647 -4.522 1.00 0.00 H new ATOM 1205 N GLU A 84 14.917 1.436 -2.664 1.00 0.00 N ATOM 1206 CA GLU A 84 15.218 2.072 -1.387 1.00 0.00 C ATOM 1207 C GLU A 84 13.938 2.518 -0.686 1.00 0.00 C ATOM 1208 O GLU A 84 13.766 2.299 0.512 1.00 0.00 O ATOM 1209 CB GLU A 84 16.144 3.272 -1.596 1.00 0.00 C ATOM 1210 CG GLU A 84 17.620 2.916 -1.560 1.00 0.00 C ATOM 1211 CD GLU A 84 18.189 2.925 -0.155 1.00 0.00 C ATOM 1212 OE1 GLU A 84 17.932 1.959 0.594 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.890 3.897 0.197 1.00 0.00 O ATOM 0 H GLU A 84 15.272 1.937 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 84 15.721 1.340 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.914 3.735 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.940 4.016 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.762 1.929 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.175 3.622 -2.177 1.00 0.00 H new ATOM 1220 N ALA A 85 13.044 3.146 -1.443 1.00 0.00 N ATOM 1221 CA ALA A 85 11.780 3.622 -0.896 1.00 0.00 C ATOM 1222 C ALA A 85 10.986 2.479 -0.274 1.00 0.00 C ATOM 1223 O ALA A 85 10.483 2.595 0.844 1.00 0.00 O ATOM 1224 CB ALA A 85 10.961 4.308 -1.980 1.00 0.00 C ATOM 0 H ALA A 85 13.172 3.337 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 85 12.001 4.345 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.019 4.659 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.519 5.156 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.757 3.601 -2.784 1.00 0.00 H new ATOM 1230 N VAL A 86 10.876 1.374 -1.005 1.00 0.00 N ATOM 1231 CA VAL A 86 10.143 0.209 -0.524 1.00 0.00 C ATOM 1232 C VAL A 86 10.736 -0.314 0.779 1.00 0.00 C ATOM 1233 O VAL A 86 10.049 -0.391 1.797 1.00 0.00 O ATOM 1234 CB VAL A 86 10.144 -0.925 -1.567 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.536 -2.190 -0.982 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.397 -0.495 -2.821 1.00 0.00 C ATOM 0 H VAL A 86 11.285 1.261 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 86 9.116 0.531 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 86 11.176 -1.141 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.546 -2.979 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.117 -2.506 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.509 -1.992 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.407 -1.308 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.366 -0.251 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.882 0.382 -3.251 1.00 0.00 H new ATOM 1246 N GLN A 87 12.015 -0.672 0.739 1.00 0.00 N ATOM 1247 CA GLN A 87 12.701 -1.189 1.918 1.00 0.00 C ATOM 1248 C GLN A 87 12.504 -0.260 3.112 1.00 0.00 C ATOM 1249 O GLN A 87 12.566 -0.692 4.264 1.00 0.00 O ATOM 1250 CB GLN A 87 14.193 -1.361 1.631 1.00 0.00 C ATOM 1251 CG GLN A 87 14.490 -2.384 0.547 1.00 0.00 C ATOM 1252 CD GLN A 87 13.834 -3.725 0.814 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.244 -4.462 1.711 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.808 -4.047 0.035 1.00 0.00 N ATOM 0 H GLN A 87 12.597 -0.614 -0.096 1.00 0.00 H new ATOM 0 HA GLN A 87 12.271 -2.161 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.611 -0.399 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.699 -1.659 2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.146 -2.000 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.568 -2.521 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.502 -3.405 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.326 -4.936 0.168 1.00 0.00 H new ATOM 1263 N LEU A 88 12.268 1.016 2.830 1.00 0.00 N ATOM 1264 CA LEU A 88 12.062 2.006 3.881 1.00 0.00 C ATOM 1265 C LEU A 88 10.705 1.817 4.550 1.00 0.00 C ATOM 1266 O LEU A 88 10.532 2.130 5.729 1.00 0.00 O ATOM 1267 CB LEU A 88 12.166 3.420 3.305 1.00 0.00 C ATOM 1268 CG LEU A 88 12.694 4.495 4.256 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.934 5.797 3.508 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.725 4.710 5.409 1.00 0.00 C ATOM 0 H LEU A 88 12.214 1.390 1.882 1.00 0.00 H new ATOM 0 HA LEU A 88 12.839 1.868 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.815 3.387 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.178 3.723 2.959 1.00 0.00 H new ATOM 0 HG LEU A 88 13.645 4.155 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.309 6.550 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.667 5.633 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.998 6.142 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.117 5.478 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.759 5.028 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.604 3.778 5.961 1.00 0.00 H new ATOM 1282 N LEU A 89 9.744 1.300 3.792 1.00 0.00 N ATOM 1283 CA LEU A 89 8.401 1.066 4.312 1.00 0.00 C ATOM 1284 C LEU A 89 8.358 -0.204 5.156 1.00 0.00 C ATOM 1285 O LEU A 89 7.562 -0.314 6.088 1.00 0.00 O ATOM 1286 CB LEU A 89 7.399 0.962 3.161 1.00 0.00 C ATOM 1287 CG LEU A 89 7.163 -0.442 2.601 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.171 -1.202 3.467 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.671 -0.367 1.163 1.00 0.00 C ATOM 0 H LEU A 89 9.870 1.035 2.815 1.00 0.00 H new ATOM 0 HA LEU A 89 8.130 1.910 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.443 1.361 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.742 1.603 2.348 1.00 0.00 H new ATOM 0 HG LEU A 89 8.110 -0.981 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.016 -2.198 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.563 -1.287 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.222 -0.666 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.508 -1.375 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.735 0.190 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.417 0.138 0.549 1.00 0.00 H new ATOM 1301 N ARG A 90 9.221 -1.159 4.824 1.00 0.00 N ATOM 1302 CA ARG A 90 9.282 -2.420 5.552 1.00 0.00 C ATOM 1303 C ARG A 90 10.312 -2.350 6.675 1.00 0.00 C ATOM 1304 O ARG A 90 10.522 -3.323 7.399 1.00 0.00 O ATOM 1305 CB ARG A 90 9.627 -3.567 4.600 1.00 0.00 C ATOM 1306 CG ARG A 90 10.786 -3.255 3.666 1.00 0.00 C ATOM 1307 CD ARG A 90 11.203 -4.481 2.869 1.00 0.00 C ATOM 1308 NE ARG A 90 11.621 -5.581 3.734 1.00 0.00 N ATOM 1309 CZ ARG A 90 10.777 -6.462 4.261 1.00 0.00 C ATOM 1310 NH1 ARG A 90 9.478 -6.372 4.011 1.00 0.00 N ATOM 1311 NH2 ARG A 90 11.233 -7.435 5.039 1.00 0.00 N ATOM 0 H ARG A 90 9.887 -1.083 4.055 1.00 0.00 H new ATOM 0 HA ARG A 90 8.302 -2.604 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.872 -4.453 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.747 -3.811 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.499 -2.455 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.634 -2.890 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.371 -4.807 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.021 -4.216 2.199 1.00 0.00 H new ATOM 0 HE ARG A 90 12.614 -5.678 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.124 -5.625 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.832 -7.050 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.232 -7.507 5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.585 -8.111 5.443 1.00 0.00 H new ATOM 1325 N SER A 91 10.950 -1.193 6.814 1.00 0.00 N ATOM 1326 CA SER A 91 11.961 -0.997 7.847 1.00 0.00 C ATOM 1327 C SER A 91 11.372 -0.272 9.054 1.00 0.00 C ATOM 1328 O SER A 91 12.039 0.545 9.688 1.00 0.00 O ATOM 1329 CB SER A 91 13.144 -0.203 7.289 1.00 0.00 C ATOM 1330 OG SER A 91 14.214 -0.162 8.216 1.00 0.00 O ATOM 0 H SER A 91 10.785 -0.377 6.225 1.00 0.00 H new ATOM 0 HA SER A 91 12.310 -1.978 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.483 -0.656 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.825 0.812 7.052 1.00 0.00 H new ATOM 0 HG SER A 91 13.883 0.149 9.084 1.00 0.00 H new ATOM 1336 N VAL A 92 10.116 -0.579 9.365 1.00 0.00 N ATOM 1337 CA VAL A 92 9.436 0.042 10.495 1.00 0.00 C ATOM 1338 C VAL A 92 9.182 -0.971 11.607 1.00 0.00 C ATOM 1339 O VAL A 92 8.918 -2.143 11.344 1.00 0.00 O ATOM 1340 CB VAL A 92 8.094 0.666 10.069 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.314 -0.296 9.187 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.280 1.063 11.291 1.00 0.00 C ATOM 0 H VAL A 92 9.550 -1.253 8.850 1.00 0.00 H new ATOM 0 HA VAL A 92 10.093 0.829 10.866 1.00 0.00 H new ATOM 0 HB VAL A 92 8.299 1.566 9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.369 0.162 8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.896 -0.525 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.117 -1.216 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.335 1.502 10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.083 0.180 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.838 1.791 11.879 1.00 0.00 H new ATOM 1352 N GLY A 93 9.265 -0.509 12.851 1.00 0.00 N ATOM 1353 CA GLY A 93 9.041 -1.387 13.984 1.00 0.00 C ATOM 1354 C GLY A 93 7.619 -1.909 14.042 1.00 0.00 C ATOM 1355 O GLY A 93 7.237 -2.778 13.258 1.00 0.00 O ATOM 0 H GLY A 93 9.483 0.457 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.732 -2.229 13.929 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.265 -0.850 14.906 1.00 0.00 H new ATOM 1359 N ASP A 94 6.833 -1.379 14.973 1.00 0.00 N ATOM 1360 CA ASP A 94 5.445 -1.797 15.130 1.00 0.00 C ATOM 1361 C ASP A 94 4.495 -0.758 14.544 1.00 0.00 C ATOM 1362 O ASP A 94 3.279 -0.953 14.523 1.00 0.00 O ATOM 1363 CB ASP A 94 5.123 -2.024 16.608 1.00 0.00 C ATOM 1364 CG ASP A 94 4.078 -3.102 16.814 1.00 0.00 C ATOM 1365 OD1 ASP A 94 4.405 -4.291 16.615 1.00 0.00 O ATOM 1366 OD2 ASP A 94 2.932 -2.758 17.174 1.00 0.00 O ATOM 0 H ASP A 94 7.134 -0.659 15.630 1.00 0.00 H new ATOM 0 HA ASP A 94 5.310 -2.733 14.588 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.035 -2.300 17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.770 -1.091 17.047 1.00 0.00 H new ATOM 1371 N THR A 95 5.057 0.349 14.068 1.00 0.00 N ATOM 1372 CA THR A 95 4.261 1.420 13.483 1.00 0.00 C ATOM 1373 C THR A 95 5.139 2.403 12.717 1.00 0.00 C ATOM 1374 O THR A 95 6.261 2.700 13.128 1.00 0.00 O ATOM 1375 CB THR A 95 3.472 2.187 14.561 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.672 1.276 15.324 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.581 3.246 13.930 1.00 0.00 C ATOM 0 H THR A 95 6.061 0.527 14.076 1.00 0.00 H new ATOM 0 HA THR A 95 3.559 0.951 12.794 1.00 0.00 H new ATOM 0 HB THR A 95 4.186 2.682 15.219 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.592 0.427 14.841 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.034 3.774 14.711 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.195 3.955 13.375 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.874 2.769 13.251 1.00 0.00 H new ATOM 1385 N LEU A 96 4.621 2.906 11.602 1.00 0.00 N ATOM 1386 CA LEU A 96 5.359 3.857 10.777 1.00 0.00 C ATOM 1387 C LEU A 96 4.594 5.170 10.645 1.00 0.00 C ATOM 1388 O LEU A 96 3.420 5.258 11.006 1.00 0.00 O ATOM 1389 CB LEU A 96 5.622 3.265 9.392 1.00 0.00 C ATOM 1390 CG LEU A 96 4.580 3.581 8.318 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.145 3.312 6.931 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.315 2.767 8.547 1.00 0.00 C ATOM 0 H LEU A 96 3.693 2.672 11.248 1.00 0.00 H new ATOM 0 HA LEU A 96 6.312 4.060 11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.592 3.621 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.697 2.182 9.490 1.00 0.00 H new ATOM 0 HG LEU A 96 4.325 4.639 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.390 3.542 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.022 3.938 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.428 2.263 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.585 3.005 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.554 1.704 8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.899 3.008 9.525 1.00 0.00 H new ATOM 1404 N THR A 97 5.266 6.191 10.121 1.00 0.00 N ATOM 1405 CA THR A 97 4.650 7.499 9.939 1.00 0.00 C ATOM 1406 C THR A 97 4.659 7.912 8.472 1.00 0.00 C ATOM 1407 O THR A 97 5.663 8.412 7.963 1.00 0.00 O ATOM 1408 CB THR A 97 5.369 8.579 10.769 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.780 8.036 12.029 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.462 9.778 10.999 1.00 0.00 C ATOM 0 H THR A 97 6.238 6.136 9.815 1.00 0.00 H new ATOM 0 HA THR A 97 3.619 7.413 10.283 1.00 0.00 H new ATOM 0 HB THR A 97 6.246 8.909 10.213 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.238 8.728 12.550 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.992 10.527 11.587 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.175 10.207 10.039 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.568 9.460 11.536 1.00 0.00 H new ATOM 1418 N VAL A 98 3.535 7.701 7.795 1.00 0.00 N ATOM 1419 CA VAL A 98 3.413 8.053 6.385 1.00 0.00 C ATOM 1420 C VAL A 98 2.709 9.394 6.213 1.00 0.00 C ATOM 1421 O VAL A 98 1.645 9.628 6.788 1.00 0.00 O ATOM 1422 CB VAL A 98 2.640 6.975 5.602 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.134 5.586 5.976 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.146 7.104 5.853 1.00 0.00 C ATOM 0 H VAL A 98 2.695 7.288 8.200 1.00 0.00 H new ATOM 0 HA VAL A 98 4.425 8.124 5.987 1.00 0.00 H new ATOM 0 HB VAL A 98 2.821 7.124 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.576 4.838 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.195 5.501 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.985 5.422 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.615 6.335 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.944 6.982 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.806 8.088 5.530 1.00 0.00 H new ATOM 1434 N LEU A 99 3.309 10.272 5.417 1.00 0.00 N ATOM 1435 CA LEU A 99 2.739 11.592 5.167 1.00 0.00 C ATOM 1436 C LEU A 99 1.936 11.601 3.870 1.00 0.00 C ATOM 1437 O LEU A 99 1.707 12.656 3.277 1.00 0.00 O ATOM 1438 CB LEU A 99 3.848 12.644 5.101 1.00 0.00 C ATOM 1439 CG LEU A 99 3.392 14.103 5.133 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.590 14.384 6.394 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.588 15.038 5.039 1.00 0.00 C ATOM 0 H LEU A 99 4.189 10.094 4.934 1.00 0.00 H new ATOM 0 HA LEU A 99 2.067 11.833 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.528 12.479 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.420 12.483 4.187 1.00 0.00 H new ATOM 0 HG LEU A 99 2.749 14.282 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.274 15.427 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.712 13.739 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.208 14.188 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.244 16.072 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.257 14.858 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.121 14.855 4.106 1.00 0.00 H new ATOM 1453 N VAL A 100 1.509 10.420 3.436 1.00 0.00 N ATOM 1454 CA VAL A 100 0.728 10.292 2.211 1.00 0.00 C ATOM 1455 C VAL A 100 -0.473 11.231 2.225 1.00 0.00 C ATOM 1456 O VAL A 100 -0.643 12.026 3.151 1.00 0.00 O ATOM 1457 CB VAL A 100 0.234 8.848 2.009 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.350 7.856 2.299 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.978 8.571 2.887 1.00 0.00 C ATOM 0 H VAL A 100 1.691 9.538 3.914 1.00 0.00 H new ATOM 0 HA VAL A 100 1.387 10.561 1.386 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.065 8.728 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.982 6.841 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.186 8.041 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.683 7.974 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.314 7.546 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.708 8.709 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.782 9.259 2.626 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.304 11.135 1.193 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.491 11.977 1.086 1.00 0.00 C ATOM 1471 C CYS A 101 -3.319 11.596 -0.137 1.00 0.00 C ATOM 1472 O CYS A 101 -2.805 11.004 -1.087 1.00 0.00 O ATOM 1473 CB CYS A 101 -2.090 13.451 1.007 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.737 14.031 -0.669 1.00 0.00 S ATOM 0 H CYS A 101 -1.178 10.483 0.419 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.099 11.821 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.891 14.058 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.209 13.611 1.628 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.409 15.289 -0.633 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.602 11.937 -0.105 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.502 11.630 -1.211 1.00 0.00 C ATOM 1482 C ASP A 102 -4.933 12.137 -2.532 1.00 0.00 C ATOM 1483 O ASP A 102 -5.019 13.324 -2.842 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.878 12.249 -0.963 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.298 12.164 0.491 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.959 11.158 1.148 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -7.967 13.103 0.972 1.00 0.00 O ATOM 0 H ASP A 102 -5.043 12.426 0.674 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.605 10.547 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.864 13.294 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.618 11.742 -1.582 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.349 11.228 -3.307 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.772 11.602 -4.585 1.00 0.00 C ATOM 1494 C GLY A 103 -4.766 11.491 -5.724 1.00 0.00 C ATOM 1495 O GLY A 103 -5.013 12.462 -6.439 1.00 0.00 O ATOM 0 H GLY A 103 -4.265 10.239 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.402 12.626 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.913 10.964 -4.793 1.00 0.00 H new