USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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= -2.87 K(o=-2.9,f=-9.2!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.886 (180deg=-1.32) 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 52 SER OG : rot 180:sc= -0.931 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.07 K(o=-3.1,f=-9.8!) USER MOD Single : A 87 GLN :FLIP amide:sc= -2.81! C(o=-5.4!,f=-2.8!) USER MOD Single : A 91 SER OG : rot -55:sc= 0.569 USER MOD Single : A 95 THR OG1 : rot 78:sc= -0.178 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.672 15.011 5.086 1.00 0.00 N ATOM 81 CA GLY A 9 -5.147 14.036 4.148 1.00 0.00 C ATOM 82 C GLY A 9 -3.646 14.155 3.967 1.00 0.00 C ATOM 83 O GLY A 9 -2.943 13.149 3.868 1.00 0.00 O ATOM 0 HA2 GLY A 9 -5.389 13.033 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.638 14.164 3.183 1.00 0.00 H new ATOM 87 N LEU A 10 -3.154 15.388 3.922 1.00 0.00 N ATOM 88 CA LEU A 10 -1.727 15.636 3.750 1.00 0.00 C ATOM 89 C LEU A 10 -1.054 15.901 5.093 1.00 0.00 C ATOM 90 O LEU A 10 -0.101 16.676 5.180 1.00 0.00 O ATOM 91 CB LEU A 10 -1.505 16.825 2.813 1.00 0.00 C ATOM 92 CG LEU A 10 -2.308 18.087 3.128 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.700 18.000 2.521 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.394 18.303 4.632 1.00 0.00 C ATOM 0 H LEU A 10 -3.722 16.231 4.002 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.280 14.745 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.445 17.080 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.744 16.511 1.797 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.794 18.941 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.257 18.907 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.619 17.894 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.223 17.137 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.969 19.206 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.885 17.447 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.390 18.411 5.042 1.00 0.00 H new ATOM 106 N ARG A 11 -1.555 15.251 6.139 1.00 0.00 N ATOM 107 CA ARG A 11 -1.002 15.415 7.477 1.00 0.00 C ATOM 108 C ARG A 11 -0.158 14.206 7.869 1.00 0.00 C ATOM 109 O ARG A 11 -0.048 13.242 7.111 1.00 0.00 O ATOM 110 CB ARG A 11 -2.126 15.617 8.495 1.00 0.00 C ATOM 111 CG ARG A 11 -2.850 16.945 8.349 1.00 0.00 C ATOM 112 CD ARG A 11 -2.004 18.100 8.863 1.00 0.00 C ATOM 113 NE ARG A 11 -2.181 18.310 10.298 1.00 0.00 N ATOM 114 CZ ARG A 11 -1.665 19.341 10.958 1.00 0.00 C ATOM 115 NH1 ARG A 11 -0.944 20.250 10.317 1.00 0.00 N ATOM 116 NH2 ARG A 11 -1.870 19.464 12.263 1.00 0.00 N ATOM 0 H ARG A 11 -2.343 14.606 6.085 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.362 16.297 7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.848 14.807 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.711 15.548 9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.098 17.112 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.791 16.910 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.953 17.902 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.270 19.011 8.327 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.730 17.628 10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.784 20.159 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.549 21.040 10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.424 18.767 12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.473 20.256 12.769 1.00 0.00 H new ATOM 130 N GLU A 12 0.436 14.265 9.057 1.00 0.00 N ATOM 131 CA GLU A 12 1.271 13.175 9.548 1.00 0.00 C ATOM 132 C GLU A 12 0.414 12.025 10.070 1.00 0.00 C ATOM 133 O GLU A 12 -0.270 12.157 11.086 1.00 0.00 O ATOM 134 CB GLU A 12 2.202 13.675 10.654 1.00 0.00 C ATOM 135 CG GLU A 12 3.267 12.667 11.055 1.00 0.00 C ATOM 136 CD GLU A 12 3.992 13.060 12.327 1.00 0.00 C ATOM 137 OE1 GLU A 12 4.664 14.112 12.327 1.00 0.00 O ATOM 138 OE2 GLU A 12 3.887 12.314 13.324 1.00 0.00 O ATOM 0 H GLU A 12 0.355 15.055 9.697 1.00 0.00 H new ATOM 0 HA GLU A 12 1.872 12.808 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.688 14.592 10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.607 13.930 11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.804 11.690 11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.990 12.566 10.245 1.00 0.00 H new ATOM 145 N LEU A 13 0.456 10.898 9.368 1.00 0.00 N ATOM 146 CA LEU A 13 -0.317 9.724 9.759 1.00 0.00 C ATOM 147 C LEU A 13 0.599 8.537 10.037 1.00 0.00 C ATOM 148 O LEU A 13 1.765 8.534 9.639 1.00 0.00 O ATOM 149 CB LEU A 13 -1.322 9.362 8.664 1.00 0.00 C ATOM 150 CG LEU A 13 -2.635 10.146 8.673 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.328 10.041 7.323 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.548 9.644 9.782 1.00 0.00 C ATOM 0 H LEU A 13 1.017 10.772 8.525 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.858 9.964 10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.842 9.507 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.555 8.301 8.749 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.408 11.195 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.261 10.605 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.678 10.448 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.542 8.995 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.478 10.213 9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.767 8.588 9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.054 9.771 10.745 1.00 0.00 H new ATOM 164 N CYS A 14 0.064 7.530 10.719 1.00 0.00 N ATOM 165 CA CYS A 14 0.834 6.336 11.048 1.00 0.00 C ATOM 166 C CYS A 14 -0.045 5.091 10.995 1.00 0.00 C ATOM 167 O CYS A 14 -1.271 5.180 11.076 1.00 0.00 O ATOM 168 CB CYS A 14 1.459 6.474 12.437 1.00 0.00 C ATOM 169 SG CYS A 14 0.272 6.856 13.747 1.00 0.00 S ATOM 0 H CYS A 14 -0.899 7.517 11.055 1.00 0.00 H new ATOM 0 HA CYS A 14 1.628 6.230 10.309 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.972 5.545 12.686 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.215 7.258 12.407 1.00 0.00 H new ATOM 0 HG CYS A 14 0.896 6.951 14.884 1.00 0.00 H new ATOM 175 N ILE A 15 0.588 3.931 10.855 1.00 0.00 N ATOM 176 CA ILE A 15 -0.137 2.668 10.790 1.00 0.00 C ATOM 177 C ILE A 15 0.322 1.714 11.887 1.00 0.00 C ATOM 178 O ILE A 15 1.458 1.241 11.876 1.00 0.00 O ATOM 179 CB ILE A 15 0.044 1.985 9.421 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.514 2.872 8.306 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.635 0.624 9.414 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.262 2.327 6.918 1.00 0.00 C ATOM 0 H ILE A 15 1.601 3.840 10.784 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.192 2.901 10.933 1.00 0.00 H new ATOM 0 HB ILE A 15 1.109 1.838 9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.588 2.992 8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.069 3.864 8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.498 0.154 8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.194 -0.007 10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.700 0.748 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.685 3.007 6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.811 2.233 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.731 1.348 6.821 1.00 0.00 H new ATOM 194 N GLN A 16 -0.571 1.433 12.831 1.00 0.00 N ATOM 195 CA GLN A 16 -0.257 0.534 13.935 1.00 0.00 C ATOM 196 C GLN A 16 -0.476 -0.921 13.531 1.00 0.00 C ATOM 197 O GLN A 16 -1.601 -1.335 13.249 1.00 0.00 O ATOM 198 CB GLN A 16 -1.115 0.871 15.155 1.00 0.00 C ATOM 199 CG GLN A 16 -0.499 1.927 16.059 1.00 0.00 C ATOM 200 CD GLN A 16 -0.928 3.333 15.690 1.00 0.00 C ATOM 201 OE1 GLN A 16 -1.881 3.526 14.935 1.00 0.00 O ATOM 202 NE2 GLN A 16 -0.224 4.325 16.223 1.00 0.00 N ATOM 0 H GLN A 16 -1.517 1.815 12.853 1.00 0.00 H new ATOM 0 HA GLN A 16 0.794 0.667 14.191 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.091 1.218 14.817 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.282 -0.038 15.733 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.781 1.725 17.092 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.587 1.857 16.005 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.558 4.119 16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.466 5.293 16.011 1.00 0.00 H new ATOM 211 N LYS A 17 0.606 -1.691 13.503 1.00 0.00 N ATOM 212 CA LYS A 17 0.533 -3.100 13.134 1.00 0.00 C ATOM 213 C LYS A 17 1.193 -3.975 14.195 1.00 0.00 C ATOM 214 O LYS A 17 1.904 -3.478 15.068 1.00 0.00 O ATOM 215 CB LYS A 17 1.204 -3.329 11.778 1.00 0.00 C ATOM 216 CG LYS A 17 2.689 -3.633 11.879 1.00 0.00 C ATOM 217 CD LYS A 17 3.442 -3.146 10.652 1.00 0.00 C ATOM 218 CE LYS A 17 3.327 -1.638 10.490 1.00 0.00 C ATOM 219 NZ LYS A 17 4.527 -1.059 9.826 1.00 0.00 N ATOM 0 H LYS A 17 1.544 -1.363 13.731 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.519 -3.377 13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.706 -4.155 11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.064 -2.443 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.099 -3.159 12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.835 -4.707 11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.492 -3.425 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.049 -3.640 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.439 -1.402 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.195 -1.177 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.289 -0.127 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.293 -0.955 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.839 -1.690 9.060 1.00 0.00 H new ATOM 233 N ALA A 18 0.955 -5.280 14.112 1.00 0.00 N ATOM 234 CA ALA A 18 1.530 -6.224 15.062 1.00 0.00 C ATOM 235 C ALA A 18 3.007 -5.931 15.302 1.00 0.00 C ATOM 236 O ALA A 18 3.633 -5.147 14.587 1.00 0.00 O ATOM 237 CB ALA A 18 1.346 -7.650 14.566 1.00 0.00 C ATOM 0 H ALA A 18 0.368 -5.707 13.396 1.00 0.00 H new ATOM 0 HA ALA A 18 1.006 -6.111 16.011 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.780 -8.344 15.285 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.283 -7.862 14.454 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.843 -7.767 13.603 1.00 0.00 H new ATOM 243 N PRO A 19 3.579 -6.573 16.331 1.00 0.00 N ATOM 244 CA PRO A 19 4.990 -6.396 16.688 1.00 0.00 C ATOM 245 C PRO A 19 5.930 -7.009 15.656 1.00 0.00 C ATOM 246 O PRO A 19 7.151 -6.917 15.782 1.00 0.00 O ATOM 247 CB PRO A 19 5.112 -7.132 18.025 1.00 0.00 C ATOM 248 CG PRO A 19 4.020 -8.145 18.001 1.00 0.00 C ATOM 249 CD PRO A 19 2.893 -7.521 17.225 1.00 0.00 C ATOM 0 HA PRO A 19 5.269 -5.344 16.737 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.089 -7.605 18.129 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.998 -6.447 18.866 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.355 -9.068 17.528 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.703 -8.401 19.012 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.330 -8.267 16.664 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.185 -7.014 17.881 1.00 0.00 H new ATOM 257 N GLY A 20 5.354 -7.634 14.634 1.00 0.00 N ATOM 258 CA GLY A 20 6.156 -8.252 13.594 1.00 0.00 C ATOM 259 C GLY A 20 5.343 -8.597 12.362 1.00 0.00 C ATOM 260 O GLY A 20 5.562 -9.634 11.737 1.00 0.00 O ATOM 0 H GLY A 20 4.346 -7.724 14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.965 -7.577 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.618 -9.158 13.986 1.00 0.00 H new ATOM 264 N GLU A 21 4.400 -7.727 12.014 1.00 0.00 N ATOM 265 CA GLU A 21 3.550 -7.947 10.850 1.00 0.00 C ATOM 266 C GLU A 21 4.002 -7.084 9.675 1.00 0.00 C ATOM 267 O GLU A 21 4.436 -5.947 9.857 1.00 0.00 O ATOM 268 CB GLU A 21 2.091 -7.639 11.191 1.00 0.00 C ATOM 269 CG GLU A 21 1.167 -7.657 9.985 1.00 0.00 C ATOM 270 CD GLU A 21 0.895 -9.061 9.479 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.122 -10.021 10.244 1.00 0.00 O ATOM 272 OE2 GLU A 21 0.456 -9.198 8.319 1.00 0.00 O ATOM 0 H GLU A 21 4.206 -6.864 12.521 1.00 0.00 H new ATOM 0 HA GLU A 21 3.635 -8.995 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.736 -8.366 11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.037 -6.659 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.223 -7.180 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.610 -7.066 9.184 1.00 0.00 H new ATOM 279 N ARG A 22 3.898 -7.635 8.470 1.00 0.00 N ATOM 280 CA ARG A 22 4.298 -6.918 7.265 1.00 0.00 C ATOM 281 C ARG A 22 3.172 -6.014 6.772 1.00 0.00 C ATOM 282 O ARG A 22 2.069 -6.480 6.482 1.00 0.00 O ATOM 283 CB ARG A 22 4.693 -7.905 6.166 1.00 0.00 C ATOM 284 CG ARG A 22 3.636 -8.962 5.889 1.00 0.00 C ATOM 285 CD ARG A 22 3.642 -9.387 4.428 1.00 0.00 C ATOM 286 NE ARG A 22 2.380 -10.006 4.033 1.00 0.00 N ATOM 287 CZ ARG A 22 2.256 -10.823 2.993 1.00 0.00 C ATOM 288 NH1 ARG A 22 3.312 -11.119 2.249 1.00 0.00 N ATOM 289 NH2 ARG A 22 1.073 -11.347 2.697 1.00 0.00 N ATOM 0 H ARG A 22 3.540 -8.575 8.302 1.00 0.00 H new ATOM 0 HA ARG A 22 5.159 -6.296 7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.892 -7.353 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.623 -8.398 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.814 -9.831 6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.653 -8.572 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.832 -8.518 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.459 -10.089 4.258 1.00 0.00 H new ATOM 0 HE ARG A 22 1.548 -9.800 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.223 -10.719 2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.214 -11.747 1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.258 -11.122 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.979 -11.974 1.898 1.00 0.00 H new ATOM 303 N LEU A 23 3.457 -4.720 6.680 1.00 0.00 N ATOM 304 CA LEU A 23 2.469 -3.749 6.222 1.00 0.00 C ATOM 305 C LEU A 23 1.547 -4.364 5.174 1.00 0.00 C ATOM 306 O LEU A 23 0.325 -4.320 5.305 1.00 0.00 O ATOM 307 CB LEU A 23 3.166 -2.516 5.645 1.00 0.00 C ATOM 308 CG LEU A 23 2.432 -1.186 5.823 1.00 0.00 C ATOM 309 CD1 LEU A 23 1.021 -1.275 5.263 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.401 -0.786 7.291 1.00 0.00 C ATOM 0 H LEU A 23 4.364 -4.318 6.916 1.00 0.00 H new ATOM 0 HA LEU A 23 1.866 -3.449 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.150 -2.430 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.327 -2.680 4.579 1.00 0.00 H new ATOM 0 HG LEU A 23 2.972 -0.418 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.515 -0.319 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.066 -1.514 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.470 -2.055 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.875 0.163 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.885 -1.554 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.421 -0.679 7.661 1.00 0.00 H new ATOM 322 N GLY A 24 2.143 -4.939 4.133 1.00 0.00 N ATOM 323 CA GLY A 24 1.360 -5.557 3.079 1.00 0.00 C ATOM 324 C GLY A 24 0.848 -4.548 2.070 1.00 0.00 C ATOM 325 O GLY A 24 -0.298 -4.631 1.626 1.00 0.00 O ATOM 0 H GLY A 24 3.153 -4.988 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.969 -6.301 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.515 -6.086 3.520 1.00 0.00 H new ATOM 329 N ILE A 25 1.697 -3.591 1.709 1.00 0.00 N ATOM 330 CA ILE A 25 1.322 -2.562 0.748 1.00 0.00 C ATOM 331 C ILE A 25 2.256 -2.570 -0.458 1.00 0.00 C ATOM 332 O ILE A 25 3.350 -3.131 -0.404 1.00 0.00 O ATOM 333 CB ILE A 25 1.340 -1.161 1.387 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.565 -1.004 2.291 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.060 -0.922 2.174 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.999 0.433 2.476 1.00 0.00 C ATOM 0 H ILE A 25 2.648 -3.507 2.068 1.00 0.00 H new ATOM 0 HA ILE A 25 0.307 -2.790 0.421 1.00 0.00 H new ATOM 0 HB ILE A 25 1.400 -0.416 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.344 -1.437 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.393 -1.574 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.087 0.072 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.798 -0.996 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.028 -1.670 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.872 0.468 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.252 0.864 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.187 1.003 2.926 1.00 0.00 H new ATOM 348 N SER A 26 1.817 -1.942 -1.544 1.00 0.00 N ATOM 349 CA SER A 26 2.613 -1.879 -2.764 1.00 0.00 C ATOM 350 C SER A 26 2.696 -0.447 -3.284 1.00 0.00 C ATOM 351 O SER A 26 1.744 0.325 -3.165 1.00 0.00 O ATOM 352 CB SER A 26 2.012 -2.789 -3.838 1.00 0.00 C ATOM 353 OG SER A 26 2.575 -4.088 -3.777 1.00 0.00 O ATOM 0 H SER A 26 0.915 -1.470 -1.604 1.00 0.00 H new ATOM 0 HA SER A 26 3.621 -2.222 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.932 -2.850 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.188 -2.359 -4.824 1.00 0.00 H new ATOM 0 HG SER A 26 2.174 -4.651 -4.472 1.00 0.00 H new ATOM 359 N ILE A 27 3.842 -0.099 -3.861 1.00 0.00 N ATOM 360 CA ILE A 27 4.050 1.239 -4.400 1.00 0.00 C ATOM 361 C ILE A 27 4.729 1.182 -5.765 1.00 0.00 C ATOM 362 O ILE A 27 5.411 0.210 -6.090 1.00 0.00 O ATOM 363 CB ILE A 27 4.902 2.102 -3.451 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.360 1.638 -3.474 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.344 2.042 -2.037 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.297 2.550 -2.714 1.00 0.00 C ATOM 0 H ILE A 27 4.640 -0.725 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 27 3.065 1.694 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 27 4.865 3.136 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.420 0.635 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.694 1.568 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.957 2.657 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.320 2.416 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.355 1.010 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.313 2.159 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.266 3.548 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.988 2.601 -1.670 1.00 0.00 H new ATOM 378 N ARG A 28 4.538 2.231 -6.558 1.00 0.00 N ATOM 379 CA ARG A 28 5.133 2.301 -7.888 1.00 0.00 C ATOM 380 C ARG A 28 5.804 3.653 -8.113 1.00 0.00 C ATOM 381 O ARG A 28 5.225 4.700 -7.825 1.00 0.00 O ATOM 382 CB ARG A 28 4.067 2.064 -8.959 1.00 0.00 C ATOM 383 CG ARG A 28 2.965 3.111 -8.964 1.00 0.00 C ATOM 384 CD ARG A 28 2.118 3.023 -10.224 1.00 0.00 C ATOM 385 NE ARG A 28 2.640 3.868 -11.295 1.00 0.00 N ATOM 386 CZ ARG A 28 2.268 3.758 -12.565 1.00 0.00 C ATOM 387 NH1 ARG A 28 1.376 2.844 -12.922 1.00 0.00 N ATOM 388 NH2 ARG A 28 2.789 4.564 -13.482 1.00 0.00 N ATOM 0 H ARG A 28 3.977 3.044 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 28 5.892 1.522 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.545 2.048 -9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.622 1.081 -8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.331 2.977 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.406 4.105 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.081 1.988 -10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.095 3.320 -9.994 1.00 0.00 H new ATOM 0 HE ARG A 28 3.328 4.582 -11.054 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.973 2.223 -12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.092 2.762 -13.898 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.475 5.268 -13.211 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.503 4.479 -14.457 1.00 0.00 H new ATOM 402 N GLY A 29 7.029 3.621 -8.628 1.00 0.00 N ATOM 403 CA GLY A 29 7.759 4.849 -8.882 1.00 0.00 C ATOM 404 C GLY A 29 9.261 4.657 -8.808 1.00 0.00 C ATOM 405 O GLY A 29 9.784 3.629 -9.236 1.00 0.00 O ATOM 0 H GLY A 29 7.529 2.767 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.493 5.229 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.456 5.605 -8.157 1.00 0.00 H new ATOM 409 N GLY A 30 9.957 5.651 -8.266 1.00 0.00 N ATOM 410 CA GLY A 30 11.401 5.568 -8.149 1.00 0.00 C ATOM 411 C GLY A 30 12.111 6.637 -8.956 1.00 0.00 C ATOM 412 O GLY A 30 11.610 7.079 -9.990 1.00 0.00 O ATOM 0 H GLY A 30 9.547 6.513 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.683 5.661 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.733 4.585 -8.482 1.00 0.00 H new ATOM 611 N GLY A 45 7.981 10.551 -9.300 1.00 0.00 N ATOM 612 CA GLY A 45 7.202 10.444 -8.081 1.00 0.00 C ATOM 613 C GLY A 45 6.877 9.007 -7.725 1.00 0.00 C ATOM 614 O GLY A 45 6.978 8.114 -8.567 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.753 10.903 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.275 11.005 -8.196 1.00 0.00 H new ATOM 618 N ILE A 46 6.486 8.782 -6.475 1.00 0.00 N ATOM 619 CA ILE A 46 6.146 7.443 -6.011 1.00 0.00 C ATOM 620 C ILE A 46 4.763 7.419 -5.369 1.00 0.00 C ATOM 621 O ILE A 46 4.516 8.100 -4.374 1.00 0.00 O ATOM 622 CB ILE A 46 7.179 6.919 -4.996 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.583 6.945 -5.604 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.816 5.511 -4.548 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.689 6.981 -4.573 1.00 0.00 C ATOM 0 H ILE A 46 6.397 9.510 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 46 6.149 6.795 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 46 7.170 7.571 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.713 6.065 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.673 7.817 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.556 5.155 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.832 5.521 -4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.800 4.847 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.656 6.998 -5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.584 7.875 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.625 6.096 -3.940 1.00 0.00 H new ATOM 637 N PHE A 47 3.864 6.627 -5.945 1.00 0.00 N ATOM 638 CA PHE A 47 2.504 6.513 -5.429 1.00 0.00 C ATOM 639 C PHE A 47 2.103 5.049 -5.275 1.00 0.00 C ATOM 640 O PHE A 47 2.558 4.187 -6.028 1.00 0.00 O ATOM 641 CB PHE A 47 1.522 7.229 -6.358 1.00 0.00 C ATOM 642 CG PHE A 47 1.943 8.626 -6.713 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.120 8.853 -7.408 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.161 9.712 -6.353 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.510 10.138 -7.738 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.546 10.998 -6.680 1.00 0.00 C ATOM 647 CZ PHE A 47 2.722 11.212 -7.372 1.00 0.00 C ATOM 0 H PHE A 47 4.052 6.055 -6.768 1.00 0.00 H new ATOM 0 HA PHE A 47 2.473 6.985 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.411 6.648 -7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.542 7.263 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.740 8.017 -7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.241 9.551 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.429 10.302 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.927 11.836 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.025 12.217 -7.626 1.00 0.00 H new ATOM 657 N ILE A 48 1.248 4.776 -4.296 1.00 0.00 N ATOM 658 CA ILE A 48 0.784 3.417 -4.044 1.00 0.00 C ATOM 659 C ILE A 48 0.184 2.799 -5.302 1.00 0.00 C ATOM 660 O ILE A 48 -0.629 3.422 -5.985 1.00 0.00 O ATOM 661 CB ILE A 48 -0.265 3.380 -2.916 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.366 3.806 -1.589 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.869 1.989 -2.800 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.635 3.956 -0.465 1.00 0.00 C ATOM 0 H ILE A 48 0.862 5.478 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 48 1.655 2.838 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.063 4.082 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.117 3.071 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.886 4.754 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.608 1.979 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.350 1.722 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.082 1.268 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.117 4.260 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.372 4.713 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.138 3.004 -0.296 1.00 0.00 H new ATOM 676 N SER A 49 0.588 1.568 -5.601 1.00 0.00 N ATOM 677 CA SER A 49 0.091 0.866 -6.778 1.00 0.00 C ATOM 678 C SER A 49 -0.851 -0.266 -6.378 1.00 0.00 C ATOM 679 O SER A 49 -1.565 -0.820 -7.214 1.00 0.00 O ATOM 680 CB SER A 49 1.258 0.308 -7.595 1.00 0.00 C ATOM 681 OG SER A 49 1.613 -0.992 -7.156 1.00 0.00 O ATOM 0 H SER A 49 1.258 1.037 -5.044 1.00 0.00 H new ATOM 0 HA SER A 49 -0.464 1.579 -7.389 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.985 0.277 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.118 0.972 -7.507 1.00 0.00 H new ATOM 0 HG SER A 49 2.360 -1.327 -7.695 1.00 0.00 H new ATOM 687 N LYS A 50 -0.847 -0.604 -5.093 1.00 0.00 N ATOM 688 CA LYS A 50 -1.701 -1.669 -4.579 1.00 0.00 C ATOM 689 C LYS A 50 -1.582 -1.776 -3.062 1.00 0.00 C ATOM 690 O LYS A 50 -0.579 -1.367 -2.477 1.00 0.00 O ATOM 691 CB LYS A 50 -1.331 -3.005 -5.227 1.00 0.00 C ATOM 692 CG LYS A 50 -1.892 -4.212 -4.494 1.00 0.00 C ATOM 693 CD LYS A 50 -1.372 -5.512 -5.083 1.00 0.00 C ATOM 694 CE LYS A 50 -2.379 -6.641 -4.916 1.00 0.00 C ATOM 695 NZ LYS A 50 -2.576 -7.001 -3.484 1.00 0.00 N ATOM 0 H LYS A 50 -0.262 -0.156 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.734 -1.426 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.694 -3.014 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.245 -3.090 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.623 -4.156 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.981 -4.197 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.153 -5.371 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.435 -5.784 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.333 -6.344 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.037 -7.517 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.269 -7.773 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.670 -7.309 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.927 -6.172 -2.963 1.00 0.00 H new ATOM 709 N VAL A 51 -2.612 -2.332 -2.431 1.00 0.00 N ATOM 710 CA VAL A 51 -2.621 -2.496 -0.982 1.00 0.00 C ATOM 711 C VAL A 51 -3.303 -3.800 -0.581 1.00 0.00 C ATOM 712 O VAL A 51 -4.458 -4.041 -0.931 1.00 0.00 O ATOM 713 CB VAL A 51 -3.337 -1.322 -0.289 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.430 -1.563 1.210 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.619 -0.013 -0.583 1.00 0.00 C ATOM 0 H VAL A 51 -3.450 -2.676 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.580 -2.519 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.350 -1.252 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.939 -0.723 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.991 -2.479 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.427 -1.660 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.138 0.806 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.594 -0.070 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.610 0.163 -1.659 1.00 0.00 H new ATOM 725 N SER A 52 -2.579 -4.637 0.155 1.00 0.00 N ATOM 726 CA SER A 52 -3.113 -5.919 0.601 1.00 0.00 C ATOM 727 C SER A 52 -4.209 -5.718 1.643 1.00 0.00 C ATOM 728 O SER A 52 -4.144 -4.823 2.485 1.00 0.00 O ATOM 729 CB SER A 52 -1.994 -6.786 1.182 1.00 0.00 C ATOM 730 OG SER A 52 -2.294 -8.165 1.044 1.00 0.00 O ATOM 0 H SER A 52 -1.622 -4.451 0.455 1.00 0.00 H new ATOM 0 HA SER A 52 -3.545 -6.425 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.055 -6.562 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.852 -6.545 2.236 1.00 0.00 H new ATOM 0 HG SER A 52 -1.563 -8.698 1.421 1.00 0.00 H new ATOM 736 N PRO A 53 -5.242 -6.572 1.585 1.00 0.00 N ATOM 737 CA PRO A 53 -6.373 -6.509 2.516 1.00 0.00 C ATOM 738 C PRO A 53 -5.983 -6.924 3.930 1.00 0.00 C ATOM 739 O PRO A 53 -6.487 -6.375 4.911 1.00 0.00 O ATOM 740 CB PRO A 53 -7.374 -7.505 1.924 1.00 0.00 C ATOM 741 CG PRO A 53 -6.541 -8.462 1.144 1.00 0.00 C ATOM 742 CD PRO A 53 -5.386 -7.663 0.607 1.00 0.00 C ATOM 0 HA PRO A 53 -6.765 -5.497 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.935 -8.015 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.102 -7.003 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.191 -9.279 1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.116 -8.910 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.479 -8.264 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.592 -7.282 -0.393 1.00 0.00 H new ATOM 750 N THR A 54 -5.082 -7.896 4.030 1.00 0.00 N ATOM 751 CA THR A 54 -4.624 -8.384 5.325 1.00 0.00 C ATOM 752 C THR A 54 -3.435 -7.575 5.829 1.00 0.00 C ATOM 753 O THR A 54 -2.896 -7.847 6.901 1.00 0.00 O ATOM 754 CB THR A 54 -4.227 -9.871 5.257 1.00 0.00 C ATOM 755 OG1 THR A 54 -3.010 -10.019 4.518 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.326 -10.695 4.603 1.00 0.00 C ATOM 0 H THR A 54 -4.655 -8.361 3.229 1.00 0.00 H new ATOM 0 HA THR A 54 -5.457 -8.269 6.018 1.00 0.00 H new ATOM 0 HB THR A 54 -4.080 -10.232 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.763 -10.967 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.023 -11.741 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.244 -10.603 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.499 -10.332 3.590 1.00 0.00 H new ATOM 764 N GLY A 55 -3.030 -6.577 5.049 1.00 0.00 N ATOM 765 CA GLY A 55 -1.907 -5.743 5.434 1.00 0.00 C ATOM 766 C GLY A 55 -2.296 -4.672 6.433 1.00 0.00 C ATOM 767 O GLY A 55 -3.448 -4.241 6.475 1.00 0.00 O ATOM 0 H GLY A 55 -3.460 -6.332 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.124 -6.368 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.487 -5.271 4.545 1.00 0.00 H new ATOM 771 N ALA A 56 -1.333 -4.243 7.243 1.00 0.00 N ATOM 772 CA ALA A 56 -1.581 -3.216 8.247 1.00 0.00 C ATOM 773 C ALA A 56 -2.387 -2.060 7.663 1.00 0.00 C ATOM 774 O ALA A 56 -3.265 -1.508 8.324 1.00 0.00 O ATOM 775 CB ALA A 56 -0.265 -2.708 8.819 1.00 0.00 C ATOM 0 H ALA A 56 -0.374 -4.591 7.223 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.166 -3.663 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.465 -1.941 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.274 -3.535 9.282 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.340 -2.283 8.018 1.00 0.00 H new ATOM 781 N ALA A 57 -2.082 -1.700 6.421 1.00 0.00 N ATOM 782 CA ALA A 57 -2.779 -0.611 5.748 1.00 0.00 C ATOM 783 C ALA A 57 -4.189 -1.028 5.345 1.00 0.00 C ATOM 784 O ALA A 57 -5.174 -0.475 5.833 1.00 0.00 O ATOM 785 CB ALA A 57 -1.993 -0.155 4.528 1.00 0.00 C ATOM 0 H ALA A 57 -1.357 -2.147 5.860 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.860 0.222 6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.525 0.659 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.008 0.192 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.882 -0.988 3.834 1.00 0.00 H new ATOM 791 N GLY A 58 -4.279 -2.008 4.451 1.00 0.00 N ATOM 792 CA GLY A 58 -5.574 -2.482 3.997 1.00 0.00 C ATOM 793 C GLY A 58 -6.617 -2.461 5.097 1.00 0.00 C ATOM 794 O GLY A 58 -7.750 -2.031 4.879 1.00 0.00 O ATOM 0 H GLY A 58 -3.479 -2.482 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.914 -1.863 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.472 -3.498 3.616 1.00 0.00 H new ATOM 798 N ARG A 59 -6.235 -2.928 6.281 1.00 0.00 N ATOM 799 CA ARG A 59 -7.147 -2.964 7.419 1.00 0.00 C ATOM 800 C ARG A 59 -7.263 -1.587 8.066 1.00 0.00 C ATOM 801 O ARG A 59 -8.339 -1.189 8.512 1.00 0.00 O ATOM 802 CB ARG A 59 -6.668 -3.986 8.451 1.00 0.00 C ATOM 803 CG ARG A 59 -5.425 -3.549 9.210 1.00 0.00 C ATOM 804 CD ARG A 59 -5.081 -4.525 10.324 1.00 0.00 C ATOM 805 NE ARG A 59 -3.699 -4.378 10.773 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.016 -5.344 11.376 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.583 -6.521 11.601 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.762 -5.134 11.756 1.00 0.00 N ATOM 0 H ARG A 59 -5.301 -3.287 6.478 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.131 -3.259 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.471 -4.174 9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.462 -4.930 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.585 -3.472 8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.585 -2.556 9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.755 -4.366 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.242 -5.545 9.975 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.233 -3.485 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.547 -6.687 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.056 -7.261 12.064 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.322 -4.230 11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.238 -5.877 12.219 1.00 0.00 H new ATOM 822 N ASP A 60 -6.149 -0.865 8.113 1.00 0.00 N ATOM 823 CA ASP A 60 -6.125 0.467 8.705 1.00 0.00 C ATOM 824 C ASP A 60 -7.376 1.253 8.325 1.00 0.00 C ATOM 825 O ASP A 60 -8.189 1.598 9.181 1.00 0.00 O ATOM 826 CB ASP A 60 -4.875 1.226 8.257 1.00 0.00 C ATOM 827 CG ASP A 60 -4.690 2.531 9.006 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.689 3.257 9.186 1.00 0.00 O ATOM 829 OD2 ASP A 60 -3.546 2.826 9.410 1.00 0.00 O ATOM 0 H ASP A 60 -5.250 -1.180 7.748 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.103 0.355 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.998 0.597 8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.941 1.430 7.188 1.00 0.00 H new ATOM 834 N GLY A 61 -7.522 1.534 7.033 1.00 0.00 N ATOM 835 CA GLY A 61 -8.676 2.278 6.562 1.00 0.00 C ATOM 836 C GLY A 61 -8.300 3.634 5.998 1.00 0.00 C ATOM 837 O GLY A 61 -9.130 4.316 5.398 1.00 0.00 O ATOM 0 H GLY A 61 -6.862 1.260 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.190 1.699 5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.379 2.412 7.384 1.00 0.00 H new ATOM 841 N ARG A 62 -7.045 4.027 6.193 1.00 0.00 N ATOM 842 CA ARG A 62 -6.562 5.312 5.702 1.00 0.00 C ATOM 843 C ARG A 62 -5.634 5.123 4.506 1.00 0.00 C ATOM 844 O ARG A 62 -5.472 6.025 3.683 1.00 0.00 O ATOM 845 CB ARG A 62 -5.831 6.065 6.815 1.00 0.00 C ATOM 846 CG ARG A 62 -6.506 5.952 8.172 1.00 0.00 C ATOM 847 CD ARG A 62 -7.674 6.918 8.296 1.00 0.00 C ATOM 848 NE ARG A 62 -8.778 6.557 7.411 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.826 7.342 7.186 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.912 8.525 7.778 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.791 6.944 6.367 1.00 0.00 N ATOM 0 H ARG A 62 -6.345 3.474 6.687 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.424 5.898 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.813 5.683 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.757 7.118 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.859 4.932 8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.780 6.155 8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.026 6.931 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.336 7.927 8.061 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.743 5.653 6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.172 8.835 8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.718 9.125 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.729 6.035 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.595 7.547 6.195 1.00 0.00 H new ATOM 865 N LEU A 63 -5.025 3.945 4.417 1.00 0.00 N ATOM 866 CA LEU A 63 -4.112 3.637 3.322 1.00 0.00 C ATOM 867 C LEU A 63 -4.851 2.965 2.169 1.00 0.00 C ATOM 868 O LEU A 63 -5.534 1.959 2.359 1.00 0.00 O ATOM 869 CB LEU A 63 -2.981 2.732 3.814 1.00 0.00 C ATOM 870 CG LEU A 63 -1.656 2.842 3.058 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.719 2.059 1.756 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.314 4.300 2.791 1.00 0.00 C ATOM 0 H LEU A 63 -5.147 3.188 5.090 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.688 4.574 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.796 2.954 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.321 1.698 3.762 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.868 2.413 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.768 2.148 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.917 1.009 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.518 2.457 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.368 4.359 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.102 4.755 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.226 4.832 3.738 1.00 0.00 H new ATOM 884 N ARG A 64 -4.708 3.528 0.973 1.00 0.00 N ATOM 885 CA ARG A 64 -5.361 2.982 -0.210 1.00 0.00 C ATOM 886 C ARG A 64 -4.457 3.104 -1.434 1.00 0.00 C ATOM 887 O ARG A 64 -3.381 3.698 -1.368 1.00 0.00 O ATOM 888 CB ARG A 64 -6.685 3.705 -0.467 1.00 0.00 C ATOM 889 CG ARG A 64 -7.600 3.748 0.746 1.00 0.00 C ATOM 890 CD ARG A 64 -8.992 4.236 0.376 1.00 0.00 C ATOM 891 NE ARG A 64 -9.909 4.185 1.512 1.00 0.00 N ATOM 892 CZ ARG A 64 -11.232 4.185 1.389 1.00 0.00 C ATOM 893 NH1 ARG A 64 -11.789 4.231 0.186 1.00 0.00 N ATOM 894 NH2 ARG A 64 -12.000 4.137 2.469 1.00 0.00 N ATOM 0 H ARG A 64 -4.146 4.361 0.798 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.560 1.926 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.476 4.725 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.206 3.211 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.667 2.754 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.172 4.405 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.931 5.259 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.386 3.625 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.512 4.147 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.201 4.266 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.805 4.231 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.575 4.100 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.015 4.137 2.373 1.00 0.00 H new ATOM 908 N VAL A 65 -4.902 2.535 -2.550 1.00 0.00 N ATOM 909 CA VAL A 65 -4.135 2.580 -3.789 1.00 0.00 C ATOM 910 C VAL A 65 -4.360 3.895 -4.528 1.00 0.00 C ATOM 911 O VAL A 65 -5.291 4.022 -5.321 1.00 0.00 O ATOM 912 CB VAL A 65 -4.505 1.411 -4.721 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.480 1.272 -5.837 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.623 0.117 -3.930 1.00 0.00 C ATOM 0 H VAL A 65 -5.790 2.038 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.084 2.497 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.473 1.623 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.758 0.441 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.450 2.193 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.497 1.083 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.885 -0.699 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.671 -0.103 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.398 0.224 -3.171 1.00 0.00 H new ATOM 924 N GLY A 66 -3.498 4.872 -4.261 1.00 0.00 N ATOM 925 CA GLY A 66 -3.619 6.165 -4.909 1.00 0.00 C ATOM 926 C GLY A 66 -3.003 7.283 -4.091 1.00 0.00 C ATOM 927 O GLY A 66 -2.796 8.388 -4.594 1.00 0.00 O ATOM 0 H GLY A 66 -2.719 4.791 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.137 6.125 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.673 6.384 -5.083 1.00 0.00 H new ATOM 931 N LEU A 67 -2.711 6.997 -2.827 1.00 0.00 N ATOM 932 CA LEU A 67 -2.116 7.988 -1.937 1.00 0.00 C ATOM 933 C LEU A 67 -0.629 8.158 -2.228 1.00 0.00 C ATOM 934 O LEU A 67 0.150 7.213 -2.101 1.00 0.00 O ATOM 935 CB LEU A 67 -2.319 7.578 -0.477 1.00 0.00 C ATOM 936 CG LEU A 67 -3.752 7.235 -0.069 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.802 6.800 1.388 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.672 8.423 -0.305 1.00 0.00 C ATOM 0 H LEU A 67 -2.876 6.088 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.612 8.942 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.687 6.714 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.966 8.389 0.160 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.097 6.406 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.830 6.560 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.174 5.920 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.438 7.609 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.688 8.161 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.329 9.272 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.659 8.689 -1.362 1.00 0.00 H new ATOM 950 N ARG A 68 -0.241 9.369 -2.615 1.00 0.00 N ATOM 951 CA ARG A 68 1.153 9.663 -2.923 1.00 0.00 C ATOM 952 C ARG A 68 2.007 9.631 -1.659 1.00 0.00 C ATOM 953 O ARG A 68 1.742 10.357 -0.699 1.00 0.00 O ATOM 954 CB ARG A 68 1.271 11.031 -3.597 1.00 0.00 C ATOM 955 CG ARG A 68 2.693 11.395 -3.991 1.00 0.00 C ATOM 956 CD ARG A 68 2.793 12.844 -4.441 1.00 0.00 C ATOM 957 NE ARG A 68 3.994 13.090 -5.234 1.00 0.00 N ATOM 958 CZ ARG A 68 4.492 14.301 -5.460 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.894 15.371 -4.954 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.589 14.443 -6.192 1.00 0.00 N ATOM 0 H ARG A 68 -0.873 10.162 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 68 1.518 8.896 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.642 11.044 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.883 11.794 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.360 11.229 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.028 10.739 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.912 13.103 -5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.796 13.495 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 68 4.478 12.287 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.050 15.265 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.278 16.300 -5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.051 13.622 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.970 15.373 -6.365 1.00 0.00 H new ATOM 974 N LEU A 69 3.031 8.786 -1.664 1.00 0.00 N ATOM 975 CA LEU A 69 3.925 8.658 -0.518 1.00 0.00 C ATOM 976 C LEU A 69 4.839 9.874 -0.402 1.00 0.00 C ATOM 977 O LEU A 69 5.749 10.059 -1.212 1.00 0.00 O ATOM 978 CB LEU A 69 4.763 7.385 -0.638 1.00 0.00 C ATOM 979 CG LEU A 69 4.248 6.167 0.129 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.525 6.317 1.616 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.760 5.969 -0.122 1.00 0.00 C ATOM 0 H LEU A 69 3.264 8.178 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 69 3.314 8.598 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.836 7.121 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.773 7.605 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 69 4.777 5.284 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.152 5.441 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.599 6.409 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.024 7.209 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.410 5.098 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.214 6.852 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.588 5.815 -1.187 1.00 0.00 H new ATOM 993 N LEU A 70 4.592 10.699 0.610 1.00 0.00 N ATOM 994 CA LEU A 70 5.395 11.896 0.833 1.00 0.00 C ATOM 995 C LEU A 70 6.656 11.567 1.626 1.00 0.00 C ATOM 996 O LEU A 70 7.765 11.906 1.214 1.00 0.00 O ATOM 997 CB LEU A 70 4.574 12.953 1.575 1.00 0.00 C ATOM 998 CG LEU A 70 3.656 13.818 0.710 1.00 0.00 C ATOM 999 CD1 LEU A 70 4.459 14.549 -0.355 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.568 12.968 0.071 1.00 0.00 C ATOM 0 H LEU A 70 3.843 10.561 1.288 1.00 0.00 H new ATOM 0 HA LEU A 70 5.692 12.290 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.965 12.450 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.261 13.609 2.109 1.00 0.00 H new ATOM 0 HG LEU A 70 3.179 14.561 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.789 15.159 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.200 15.189 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.964 13.823 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.924 13.600 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.025 12.202 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.973 12.492 0.851 1.00 0.00 H new ATOM 1012 N GLU A 71 6.477 10.902 2.763 1.00 0.00 N ATOM 1013 CA GLU A 71 7.601 10.526 3.612 1.00 0.00 C ATOM 1014 C GLU A 71 7.231 9.354 4.517 1.00 0.00 C ATOM 1015 O GLU A 71 6.157 9.334 5.118 1.00 0.00 O ATOM 1016 CB GLU A 71 8.050 11.717 4.460 1.00 0.00 C ATOM 1017 CG GLU A 71 8.016 13.042 3.716 1.00 0.00 C ATOM 1018 CD GLU A 71 8.328 14.224 4.613 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.332 14.158 5.352 1.00 0.00 O ATOM 1020 OE2 GLU A 71 7.568 15.214 4.577 1.00 0.00 O ATOM 0 H GLU A 71 5.565 10.613 3.117 1.00 0.00 H new ATOM 0 HA GLU A 71 8.424 10.219 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.410 11.787 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.064 11.536 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.735 13.013 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.031 13.179 3.271 1.00 0.00 H new ATOM 1027 N VAL A 72 8.129 8.378 4.608 1.00 0.00 N ATOM 1028 CA VAL A 72 7.898 7.202 5.439 1.00 0.00 C ATOM 1029 C VAL A 72 8.754 7.245 6.700 1.00 0.00 C ATOM 1030 O VAL A 72 9.974 7.105 6.639 1.00 0.00 O ATOM 1031 CB VAL A 72 8.202 5.903 4.670 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.069 4.696 5.586 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.283 5.771 3.465 1.00 0.00 C ATOM 0 H VAL A 72 9.023 8.378 4.117 1.00 0.00 H new ATOM 0 HA VAL A 72 6.844 7.212 5.717 1.00 0.00 H new ATOM 0 HB VAL A 72 9.231 5.945 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.288 3.787 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.771 4.789 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.053 4.646 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.511 4.848 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.246 5.750 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.433 6.620 2.799 1.00 0.00 H new ATOM 1043 N ASN A 73 8.104 7.438 7.843 1.00 0.00 N ATOM 1044 CA ASN A 73 8.805 7.499 9.121 1.00 0.00 C ATOM 1045 C ASN A 73 9.734 8.708 9.174 1.00 0.00 C ATOM 1046 O ASN A 73 10.861 8.616 9.660 1.00 0.00 O ATOM 1047 CB ASN A 73 9.607 6.216 9.347 1.00 0.00 C ATOM 1048 CG ASN A 73 8.825 5.175 10.125 1.00 0.00 C ATOM 1049 OD1 ASN A 73 7.919 5.506 10.890 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.172 3.908 9.931 1.00 0.00 N ATOM 0 H ASN A 73 7.093 7.555 7.911 1.00 0.00 H new ATOM 0 HA ASN A 73 8.061 7.599 9.911 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.901 5.800 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.525 6.454 9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.681 3.163 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.929 3.680 9.287 1.00 0.00 H new ATOM 1057 N GLN A 74 9.251 9.840 8.672 1.00 0.00 N ATOM 1058 CA GLN A 74 10.038 11.068 8.663 1.00 0.00 C ATOM 1059 C GLN A 74 11.273 10.916 7.780 1.00 0.00 C ATOM 1060 O GLN A 74 12.315 11.514 8.048 1.00 0.00 O ATOM 1061 CB GLN A 74 10.457 11.441 10.086 1.00 0.00 C ATOM 1062 CG GLN A 74 9.299 11.883 10.965 1.00 0.00 C ATOM 1063 CD GLN A 74 9.563 11.651 12.440 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.110 12.514 13.128 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.176 10.481 12.934 1.00 0.00 N ATOM 0 H GLN A 74 8.320 9.932 8.267 1.00 0.00 H new ATOM 0 HA GLN A 74 9.417 11.865 8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.946 10.584 10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.194 12.243 10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.104 12.942 10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.399 11.343 10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.726 9.795 12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.328 10.268 13.920 1.00 0.00 H new ATOM 1074 N GLN A 75 11.147 10.114 6.728 1.00 0.00 N ATOM 1075 CA GLN A 75 12.254 9.884 5.807 1.00 0.00 C ATOM 1076 C GLN A 75 11.817 10.112 4.364 1.00 0.00 C ATOM 1077 O GLN A 75 11.342 9.193 3.696 1.00 0.00 O ATOM 1078 CB GLN A 75 12.793 8.462 5.970 1.00 0.00 C ATOM 1079 CG GLN A 75 13.137 8.102 7.407 1.00 0.00 C ATOM 1080 CD GLN A 75 14.217 7.043 7.501 1.00 0.00 C ATOM 1081 OE1 GLN A 75 14.999 6.853 6.569 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.267 6.347 8.631 1.00 0.00 N ATOM 0 H GLN A 75 10.290 9.613 6.492 1.00 0.00 H new ATOM 0 HA GLN A 75 13.046 10.595 6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.052 7.756 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.684 8.347 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.466 8.998 7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.240 7.746 7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.599 6.538 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.974 5.621 8.752 1.00 0.00 H new ATOM 1091 N SER A 76 11.980 11.343 3.889 1.00 0.00 N ATOM 1092 CA SER A 76 11.599 11.693 2.526 1.00 0.00 C ATOM 1093 C SER A 76 12.187 10.702 1.526 1.00 0.00 C ATOM 1094 O SER A 76 13.380 10.398 1.564 1.00 0.00 O ATOM 1095 CB SER A 76 12.065 13.111 2.191 1.00 0.00 C ATOM 1096 OG SER A 76 11.655 13.489 0.889 1.00 0.00 O ATOM 0 H SER A 76 12.373 12.114 4.428 1.00 0.00 H new ATOM 0 HA SER A 76 10.512 11.650 2.457 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.660 13.812 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.151 13.167 2.264 1.00 0.00 H new ATOM 0 HG SER A 76 11.964 14.400 0.700 1.00 0.00 H new ATOM 1102 N LEU A 77 11.342 10.203 0.631 1.00 0.00 N ATOM 1103 CA LEU A 77 11.776 9.246 -0.381 1.00 0.00 C ATOM 1104 C LEU A 77 12.461 9.957 -1.544 1.00 0.00 C ATOM 1105 O LEU A 77 12.816 9.332 -2.545 1.00 0.00 O ATOM 1106 CB LEU A 77 10.582 8.438 -0.893 1.00 0.00 C ATOM 1107 CG LEU A 77 9.540 8.044 0.153 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.426 7.227 -0.484 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.191 7.268 1.289 1.00 0.00 C ATOM 0 H LEU A 77 10.352 10.445 0.585 1.00 0.00 H new ATOM 0 HA LEU A 77 12.494 8.568 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.085 9.016 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.958 7.529 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 77 9.105 8.954 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.693 6.956 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.941 7.817 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.845 6.322 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.434 6.996 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.654 6.364 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.952 7.888 1.764 1.00 0.00 H new ATOM 1121 N LEU A 78 12.644 11.265 -1.406 1.00 0.00 N ATOM 1122 CA LEU A 78 13.288 12.061 -2.444 1.00 0.00 C ATOM 1123 C LEU A 78 14.788 11.787 -2.489 1.00 0.00 C ATOM 1124 O LEU A 78 15.513 12.089 -1.542 1.00 0.00 O ATOM 1125 CB LEU A 78 13.038 13.551 -2.202 1.00 0.00 C ATOM 1126 CG LEU A 78 13.018 14.439 -3.446 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.381 14.443 -4.121 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.941 13.975 -4.416 1.00 0.00 C ATOM 0 H LEU A 78 12.355 11.797 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 78 12.856 11.778 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.083 13.660 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.809 13.923 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 78 12.785 15.458 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.348 15.080 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.130 14.824 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.644 13.427 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.942 14.619 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.142 12.947 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.967 14.026 -3.930 1.00 0.00 H new ATOM 1140 N GLY A 79 15.248 11.215 -3.597 1.00 0.00 N ATOM 1141 CA GLY A 79 16.659 10.912 -3.746 1.00 0.00 C ATOM 1142 C GLY A 79 16.917 9.430 -3.939 1.00 0.00 C ATOM 1143 O GLY A 79 17.800 9.041 -4.704 1.00 0.00 O ATOM 0 H GLY A 79 14.668 10.956 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.057 11.461 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.197 11.259 -2.864 1.00 0.00 H new ATOM 1147 N LEU A 80 16.146 8.602 -3.243 1.00 0.00 N ATOM 1148 CA LEU A 80 16.296 7.154 -3.340 1.00 0.00 C ATOM 1149 C LEU A 80 15.481 6.599 -4.503 1.00 0.00 C ATOM 1150 O LEU A 80 14.643 7.295 -5.077 1.00 0.00 O ATOM 1151 CB LEU A 80 15.861 6.488 -2.033 1.00 0.00 C ATOM 1152 CG LEU A 80 14.761 7.204 -1.249 1.00 0.00 C ATOM 1153 CD1 LEU A 80 14.032 6.227 -0.339 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.345 8.354 -0.440 1.00 0.00 C ATOM 0 H LEU A 80 15.411 8.908 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 80 17.348 6.933 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.520 5.478 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.735 6.392 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 80 14.043 7.613 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.253 6.754 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.581 5.437 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.739 5.788 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.548 8.852 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.084 7.967 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.821 9.067 -1.113 1.00 0.00 H new ATOM 1166 N THR A 81 15.730 5.339 -4.846 1.00 0.00 N ATOM 1167 CA THR A 81 15.019 4.689 -5.940 1.00 0.00 C ATOM 1168 C THR A 81 13.970 3.717 -5.413 1.00 0.00 C ATOM 1169 O THR A 81 14.032 3.286 -4.261 1.00 0.00 O ATOM 1170 CB THR A 81 15.987 3.930 -6.867 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.639 2.881 -6.141 1.00 0.00 O ATOM 1172 CG2 THR A 81 17.028 4.872 -7.451 1.00 0.00 C ATOM 0 H THR A 81 16.419 4.748 -4.381 1.00 0.00 H new ATOM 0 HA THR A 81 14.526 5.477 -6.509 1.00 0.00 H new ATOM 0 HB THR A 81 15.409 3.501 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.251 2.402 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.700 4.313 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.530 5.652 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.601 5.327 -6.643 1.00 0.00 H new ATOM 1180 N HIS A 82 13.008 3.373 -6.263 1.00 0.00 N ATOM 1181 CA HIS A 82 11.945 2.450 -5.883 1.00 0.00 C ATOM 1182 C HIS A 82 12.461 1.404 -4.898 1.00 0.00 C ATOM 1183 O HIS A 82 11.912 1.239 -3.810 1.00 0.00 O ATOM 1184 CB HIS A 82 11.372 1.761 -7.122 1.00 0.00 C ATOM 1185 CG HIS A 82 9.967 1.273 -6.939 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.580 -0.022 -7.212 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.856 1.914 -6.507 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.290 -0.156 -6.957 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.828 1.004 -6.527 1.00 0.00 N ATOM 0 H HIS A 82 12.943 3.720 -7.220 1.00 0.00 H new ATOM 0 HA HIS A 82 11.155 3.023 -5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.400 2.457 -7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.010 0.917 -7.386 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.193 -0.761 -7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.790 2.948 -6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.712 -1.060 -7.079 1.00 0.00 H new ATOM 1198 N GLY A 83 13.519 0.700 -5.289 1.00 0.00 N ATOM 1199 CA GLY A 83 14.090 -0.320 -4.430 1.00 0.00 C ATOM 1200 C GLY A 83 14.373 0.191 -3.032 1.00 0.00 C ATOM 1201 O GLY A 83 14.047 -0.468 -2.045 1.00 0.00 O ATOM 0 H GLY A 83 13.991 0.818 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.406 -1.167 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.015 -0.688 -4.873 1.00 0.00 H new ATOM 1205 N GLU A 84 14.984 1.369 -2.946 1.00 0.00 N ATOM 1206 CA GLU A 84 15.314 1.967 -1.658 1.00 0.00 C ATOM 1207 C GLU A 84 14.052 2.422 -0.931 1.00 0.00 C ATOM 1208 O GLU A 84 13.869 2.140 0.253 1.00 0.00 O ATOM 1209 CB GLU A 84 16.263 3.152 -1.848 1.00 0.00 C ATOM 1210 CG GLU A 84 17.730 2.759 -1.873 1.00 0.00 C ATOM 1211 CD GLU A 84 18.230 2.283 -0.523 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.258 3.099 0.421 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.593 1.093 -0.412 1.00 0.00 O ATOM 0 H GLU A 84 15.260 1.928 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 84 15.809 1.209 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.015 3.659 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.101 3.869 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.878 1.970 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.325 3.613 -2.196 1.00 0.00 H new ATOM 1220 N ALA A 85 13.186 3.130 -1.648 1.00 0.00 N ATOM 1221 CA ALA A 85 11.941 3.624 -1.073 1.00 0.00 C ATOM 1222 C ALA A 85 11.139 2.490 -0.444 1.00 0.00 C ATOM 1223 O ALA A 85 10.679 2.598 0.693 1.00 0.00 O ATOM 1224 CB ALA A 85 11.113 4.332 -2.135 1.00 0.00 C ATOM 0 H ALA A 85 13.324 3.375 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 85 12.191 4.337 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.186 4.696 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.678 5.174 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.881 3.635 -2.940 1.00 0.00 H new ATOM 1230 N VAL A 86 10.974 1.403 -1.191 1.00 0.00 N ATOM 1231 CA VAL A 86 10.227 0.248 -0.705 1.00 0.00 C ATOM 1232 C VAL A 86 10.797 -0.260 0.614 1.00 0.00 C ATOM 1233 O VAL A 86 10.080 -0.375 1.607 1.00 0.00 O ATOM 1234 CB VAL A 86 10.238 -0.899 -1.733 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.607 -2.151 -1.142 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.519 -0.480 -3.006 1.00 0.00 C ATOM 0 H VAL A 86 11.347 1.298 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 86 9.200 0.577 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 86 11.273 -1.127 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.623 -2.951 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.169 -2.460 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.576 -1.940 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.536 -1.302 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.486 -0.224 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.019 0.387 -3.438 1.00 0.00 H new ATOM 1246 N GLN A 87 12.091 -0.562 0.616 1.00 0.00 N ATOM 1247 CA GLN A 87 12.758 -1.058 1.814 1.00 0.00 C ATOM 1248 C GLN A 87 12.543 -0.110 2.989 1.00 0.00 C ATOM 1249 O GLN A 87 12.565 -0.525 4.148 1.00 0.00 O ATOM 1250 CB GLN A 87 14.255 -1.236 1.554 1.00 0.00 C ATOM 1251 CG GLN A 87 14.569 -2.301 0.515 1.00 0.00 C ATOM 1252 CD GLN A 87 13.941 -3.641 0.845 1.00 0.00 C ATOM 1253 OE1 GLN A 87 12.820 -3.944 0.199 1.00 0.00 O flip ATOM 1254 NE2 GLN A 87 14.456 -4.395 1.670 1.00 0.00 N flip ATOM 0 H GLN A 87 12.699 -0.472 -0.198 1.00 0.00 H new ATOM 0 HA GLN A 87 12.323 -2.025 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.674 -0.285 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.750 -1.496 2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.214 -1.968 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.650 -2.420 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.318 -4.122 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.021 -5.293 1.881 1.00 0.00 H new ATOM 1263 N LEU A 88 12.337 1.166 2.682 1.00 0.00 N ATOM 1264 CA LEU A 88 12.118 2.175 3.713 1.00 0.00 C ATOM 1265 C LEU A 88 10.758 1.990 4.377 1.00 0.00 C ATOM 1266 O LEU A 88 10.577 2.319 5.550 1.00 0.00 O ATOM 1267 CB LEU A 88 12.218 3.578 3.111 1.00 0.00 C ATOM 1268 CG LEU A 88 12.719 4.677 4.049 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.857 5.994 3.301 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.781 4.832 5.237 1.00 0.00 C ATOM 0 H LEU A 88 12.317 1.527 1.728 1.00 0.00 H new ATOM 0 HA LEU A 88 12.891 2.056 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.882 3.535 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.233 3.864 2.742 1.00 0.00 H new ATOM 0 HG LEU A 88 13.702 4.390 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.215 6.765 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.568 5.875 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.887 6.287 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.153 5.618 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.785 5.097 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.732 3.892 5.787 1.00 0.00 H new ATOM 1282 N LEU A 89 9.804 1.459 3.620 1.00 0.00 N ATOM 1283 CA LEU A 89 8.459 1.227 4.136 1.00 0.00 C ATOM 1284 C LEU A 89 8.416 -0.030 4.999 1.00 0.00 C ATOM 1285 O LEU A 89 7.626 -0.123 5.938 1.00 0.00 O ATOM 1286 CB LEU A 89 7.464 1.100 2.981 1.00 0.00 C ATOM 1287 CG LEU A 89 7.232 -0.313 2.446 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.168 -1.027 3.265 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.837 -0.270 0.977 1.00 0.00 C ATOM 0 H LEU A 89 9.937 1.181 2.648 1.00 0.00 H new ATOM 0 HA LEU A 89 8.182 2.080 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.506 1.505 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.811 1.726 2.159 1.00 0.00 H new ATOM 0 HG LEU A 89 8.164 -0.871 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.017 -2.031 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.491 -1.092 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.232 -0.471 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.676 -1.285 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.918 0.306 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.633 0.200 0.400 1.00 0.00 H new ATOM 1301 N ARG A 90 9.272 -0.994 4.675 1.00 0.00 N ATOM 1302 CA ARG A 90 9.332 -2.245 5.421 1.00 0.00 C ATOM 1303 C ARG A 90 10.385 -2.170 6.522 1.00 0.00 C ATOM 1304 O ARG A 90 10.576 -3.123 7.279 1.00 0.00 O ATOM 1305 CB ARG A 90 9.644 -3.410 4.480 1.00 0.00 C ATOM 1306 CG ARG A 90 10.776 -3.122 3.508 1.00 0.00 C ATOM 1307 CD ARG A 90 11.155 -4.360 2.711 1.00 0.00 C ATOM 1308 NE ARG A 90 10.255 -4.581 1.582 1.00 0.00 N ATOM 1309 CZ ARG A 90 10.292 -5.664 0.814 1.00 0.00 C ATOM 1310 NH1 ARG A 90 11.178 -6.621 1.053 1.00 0.00 N ATOM 1311 NH2 ARG A 90 9.440 -5.792 -0.195 1.00 0.00 N ATOM 0 H ARG A 90 9.933 -0.932 3.901 1.00 0.00 H new ATOM 0 HA ARG A 90 8.359 -2.411 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.901 -4.287 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.746 -3.660 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.477 -2.326 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.646 -2.761 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.177 -4.257 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.137 -5.232 3.365 1.00 0.00 H new ATOM 0 HE ARG A 90 9.560 -3.864 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.834 -6.527 1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.204 -7.451 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.756 -5.058 -0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.469 -6.624 -0.784 1.00 0.00 H new ATOM 1325 N SER A 91 11.068 -1.032 6.606 1.00 0.00 N ATOM 1326 CA SER A 91 12.105 -0.835 7.612 1.00 0.00 C ATOM 1327 C SER A 91 11.520 -0.229 8.884 1.00 0.00 C ATOM 1328 O SER A 91 12.199 0.501 9.607 1.00 0.00 O ATOM 1329 CB SER A 91 13.210 0.070 7.064 1.00 0.00 C ATOM 1330 OG SER A 91 14.320 0.110 7.945 1.00 0.00 O ATOM 0 H SER A 91 10.922 -0.233 5.989 1.00 0.00 H new ATOM 0 HA SER A 91 12.530 -1.809 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.530 -0.292 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.821 1.078 6.919 1.00 0.00 H new ATOM 0 HG SER A 91 14.021 0.389 8.836 1.00 0.00 H new ATOM 1336 N VAL A 92 10.255 -0.537 9.151 1.00 0.00 N ATOM 1337 CA VAL A 92 9.577 -0.025 10.336 1.00 0.00 C ATOM 1338 C VAL A 92 9.277 -1.145 11.325 1.00 0.00 C ATOM 1339 O VAL A 92 8.975 -2.271 10.931 1.00 0.00 O ATOM 1340 CB VAL A 92 8.261 0.686 9.966 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.427 -0.184 9.039 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.479 1.044 11.221 1.00 0.00 C ATOM 0 H VAL A 92 9.679 -1.139 8.563 1.00 0.00 H new ATOM 0 HA VAL A 92 10.251 0.694 10.801 1.00 0.00 H new ATOM 0 HB VAL A 92 8.502 1.609 9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.501 0.334 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.988 -0.386 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.193 -1.125 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.552 1.545 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.247 0.135 11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.077 1.708 11.845 1.00 0.00 H new ATOM 1352 N GLY A 93 9.361 -0.828 12.614 1.00 0.00 N ATOM 1353 CA GLY A 93 9.095 -1.819 13.640 1.00 0.00 C ATOM 1354 C GLY A 93 7.676 -2.349 13.580 1.00 0.00 C ATOM 1355 O GLY A 93 7.387 -3.285 12.835 1.00 0.00 O ATOM 0 H GLY A 93 9.608 0.097 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.794 -2.648 13.530 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.274 -1.379 14.621 1.00 0.00 H new ATOM 1359 N ASP A 94 6.789 -1.751 14.369 1.00 0.00 N ATOM 1360 CA ASP A 94 5.393 -2.169 14.403 1.00 0.00 C ATOM 1361 C ASP A 94 4.473 -1.025 13.989 1.00 0.00 C ATOM 1362 O ASP A 94 3.271 -1.217 13.799 1.00 0.00 O ATOM 1363 CB ASP A 94 5.019 -2.660 15.803 1.00 0.00 C ATOM 1364 CG ASP A 94 5.122 -1.565 16.846 1.00 0.00 C ATOM 1365 OD1 ASP A 94 6.241 -1.056 17.064 1.00 0.00 O ATOM 1366 OD2 ASP A 94 4.083 -1.217 17.445 1.00 0.00 O ATOM 0 H ASP A 94 7.013 -0.976 14.993 1.00 0.00 H new ATOM 0 HA ASP A 94 5.267 -2.987 13.694 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.001 -3.050 15.789 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.673 -3.486 16.082 1.00 0.00 H new ATOM 1371 N THR A 95 5.044 0.167 13.852 1.00 0.00 N ATOM 1372 CA THR A 95 4.276 1.343 13.463 1.00 0.00 C ATOM 1373 C THR A 95 5.155 2.363 12.748 1.00 0.00 C ATOM 1374 O THR A 95 6.267 2.657 13.189 1.00 0.00 O ATOM 1375 CB THR A 95 3.620 2.015 14.684 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.966 1.030 15.493 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.614 3.068 14.247 1.00 0.00 C ATOM 0 H THR A 95 6.037 0.344 14.005 1.00 0.00 H new ATOM 0 HA THR A 95 3.496 1.000 12.783 1.00 0.00 H new ATOM 0 HB THR A 95 4.402 2.502 15.266 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.633 0.552 16.029 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.164 3.528 15.127 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.120 3.832 13.656 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.836 2.600 13.644 1.00 0.00 H new ATOM 1385 N LEU A 96 4.651 2.899 11.642 1.00 0.00 N ATOM 1386 CA LEU A 96 5.391 3.888 10.865 1.00 0.00 C ATOM 1387 C LEU A 96 4.590 5.179 10.723 1.00 0.00 C ATOM 1388 O LEU A 96 3.418 5.240 11.095 1.00 0.00 O ATOM 1389 CB LEU A 96 5.730 3.329 9.482 1.00 0.00 C ATOM 1390 CG LEU A 96 4.708 3.603 8.379 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.281 3.240 7.018 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.422 2.832 8.640 1.00 0.00 C ATOM 0 H LEU A 96 3.733 2.666 11.263 1.00 0.00 H new ATOM 0 HA LEU A 96 6.316 4.113 11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.690 3.741 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.860 2.250 9.570 1.00 0.00 H new ATOM 0 HG LEU A 96 4.477 4.668 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.539 3.442 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.174 3.836 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.541 2.182 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.706 3.039 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.637 1.764 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.001 3.140 9.597 1.00 0.00 H new ATOM 1404 N THR A 97 5.230 6.209 10.179 1.00 0.00 N ATOM 1405 CA THR A 97 4.578 7.498 9.985 1.00 0.00 C ATOM 1406 C THR A 97 4.573 7.896 8.514 1.00 0.00 C ATOM 1407 O THR A 97 5.565 8.411 7.996 1.00 0.00 O ATOM 1408 CB THR A 97 5.269 8.606 10.803 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.675 8.093 12.077 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.339 9.793 11.001 1.00 0.00 C ATOM 0 H THR A 97 6.200 6.176 9.865 1.00 0.00 H new ATOM 0 HA THR A 97 3.551 7.388 10.332 1.00 0.00 H new ATOM 0 HB THR A 97 6.147 8.941 10.250 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.115 8.803 12.590 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.849 10.562 11.581 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.056 10.199 10.030 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.445 9.470 11.534 1.00 0.00 H new ATOM 1418 N VAL A 98 3.450 7.656 7.844 1.00 0.00 N ATOM 1419 CA VAL A 98 3.316 7.992 6.432 1.00 0.00 C ATOM 1420 C VAL A 98 2.655 9.354 6.251 1.00 0.00 C ATOM 1421 O VAL A 98 1.625 9.643 6.863 1.00 0.00 O ATOM 1422 CB VAL A 98 2.492 6.930 5.679 1.00 0.00 C ATOM 1423 CG1 VAL A 98 2.947 5.530 6.062 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.008 7.112 5.957 1.00 0.00 C ATOM 0 H VAL A 98 2.620 7.230 8.257 1.00 0.00 H new ATOM 0 HA VAL A 98 4.323 8.022 6.017 1.00 0.00 H new ATOM 0 HB VAL A 98 2.656 7.059 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.354 4.794 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.999 5.407 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.814 5.385 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.441 6.354 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.823 7.011 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.695 8.102 5.627 1.00 0.00 H new ATOM 1434 N LEU A 99 3.253 10.188 5.408 1.00 0.00 N ATOM 1435 CA LEU A 99 2.723 11.521 5.145 1.00 0.00 C ATOM 1436 C LEU A 99 1.966 11.555 3.822 1.00 0.00 C ATOM 1437 O LEU A 99 1.937 12.578 3.137 1.00 0.00 O ATOM 1438 CB LEU A 99 3.857 12.548 5.124 1.00 0.00 C ATOM 1439 CG LEU A 99 3.433 14.017 5.119 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.536 14.317 6.310 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.655 14.924 5.127 1.00 0.00 C ATOM 0 H LEU A 99 4.106 9.965 4.895 1.00 0.00 H new ATOM 0 HA LEU A 99 2.028 11.773 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.491 12.377 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.470 12.365 4.241 1.00 0.00 H new ATOM 0 HG LEU A 99 2.868 14.210 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.244 15.367 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.645 13.691 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.076 14.108 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.335 15.966 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.247 14.729 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.260 14.727 4.242 1.00 0.00 H new ATOM 1453 N VAL A 100 1.351 10.431 3.468 1.00 0.00 N ATOM 1454 CA VAL A 100 0.591 10.332 2.229 1.00 0.00 C ATOM 1455 C VAL A 100 -0.638 11.235 2.264 1.00 0.00 C ATOM 1456 O VAL A 100 -0.930 11.863 3.283 1.00 0.00 O ATOM 1457 CB VAL A 100 0.142 8.884 1.959 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.310 7.923 2.127 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -1.009 8.503 2.877 1.00 0.00 C ATOM 0 H VAL A 100 1.365 9.575 4.023 1.00 0.00 H new ATOM 0 HA VAL A 100 1.253 10.655 1.426 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.208 8.816 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.974 6.904 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.101 8.185 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.693 7.990 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.313 7.477 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.689 8.586 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.851 9.173 2.702 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.354 11.294 1.147 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.552 12.121 1.050 1.00 0.00 C ATOM 1471 C CYS A 101 -3.377 11.740 -0.175 1.00 0.00 C ATOM 1472 O CYS A 101 -2.846 11.219 -1.156 1.00 0.00 O ATOM 1473 CB CYS A 101 -2.172 13.601 0.984 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.846 14.205 -0.689 1.00 0.00 S ATOM 0 H CYS A 101 -1.126 10.780 0.296 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.156 11.948 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.977 14.192 1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.286 13.765 1.597 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.535 15.466 -0.642 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.678 12.001 -0.110 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.577 11.685 -1.213 1.00 0.00 C ATOM 1482 C ASP A 102 -4.986 12.141 -2.544 1.00 0.00 C ATOM 1483 O ASP A 102 -5.025 13.323 -2.880 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.940 12.346 -0.994 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.426 12.208 0.436 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -7.276 11.109 1.010 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -7.957 13.199 0.980 1.00 0.00 O ATOM 0 H ASP A 102 -5.133 12.431 0.695 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.707 10.603 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.874 13.403 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.670 11.898 -1.668 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.438 11.192 -3.297 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.845 11.516 -4.582 1.00 0.00 C ATOM 1494 C GLY A 103 -4.797 11.277 -5.736 1.00 0.00 C ATOM 1495 O GLY A 103 -5.008 12.159 -6.569 1.00 0.00 O ATOM 0 H GLY A 103 -4.394 10.206 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.534 12.561 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.947 10.916 -4.726 1.00 0.00 H new