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 52 SER OG : rot -115:sc= -0.186 USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0.026 USER MOD Set 2.1: A 14 CYS SG : rot -15:sc= -2.51! USER MOD Set 2.2: A 97 THR OG1 : rot -36:sc= 0.093 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.788 (180deg=-2.54!) 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+ 176:sc= 0 (180deg=-0.0222) USER MOD Single : A 73 ASN : amide:sc= -3.91 K(o=-3.9,f=-9.7!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.049 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -2.67 K(o=-2.7,f=-9.3!) USER MOD Single : A 87 GLN : amide:sc= -3.72! C(o=-3.7!,f=-3.4!) USER MOD Single : A 91 SER OG : rot -55:sc= 0.655 USER MOD Single : A 95 THR OG1 : rot -28:sc= 0.266 USER MOD Single : A 101 CYS SG : rot 19:sc= 0.0773 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.159 15.424 3.837 1.00 0.00 N ATOM 81 CA GLY A 9 -4.409 14.248 3.439 1.00 0.00 C ATOM 82 C GLY A 9 -2.910 14.457 3.534 1.00 0.00 C ATOM 83 O GLY A 9 -2.151 13.500 3.693 1.00 0.00 O ATOM 0 HA2 GLY A 9 -4.696 13.407 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.672 13.983 2.415 1.00 0.00 H new ATOM 87 N LEU A 10 -2.482 15.710 3.434 1.00 0.00 N ATOM 88 CA LEU A 10 -1.063 16.042 3.507 1.00 0.00 C ATOM 89 C LEU A 10 -0.610 16.174 4.958 1.00 0.00 C ATOM 90 O LEU A 10 0.294 16.951 5.267 1.00 0.00 O ATOM 91 CB LEU A 10 -0.784 17.343 2.753 1.00 0.00 C ATOM 92 CG LEU A 10 -1.763 18.490 3.007 1.00 0.00 C ATOM 93 CD1 LEU A 10 -2.972 18.372 2.092 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.195 18.508 4.466 1.00 0.00 C ATOM 0 H LEU A 10 -3.097 16.513 3.302 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.501 15.233 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.218 17.683 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.779 17.126 1.685 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.257 19.430 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.658 19.197 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.646 18.409 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.480 17.426 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.891 19.330 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.683 17.565 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.320 18.641 5.103 1.00 0.00 H new ATOM 106 N ARG A 11 -1.241 15.409 5.842 1.00 0.00 N ATOM 107 CA ARG A 11 -0.902 15.441 7.259 1.00 0.00 C ATOM 108 C ARG A 11 -0.103 14.202 7.655 1.00 0.00 C ATOM 109 O ARG A 11 -0.092 13.204 6.936 1.00 0.00 O ATOM 110 CB ARG A 11 -2.171 15.533 8.108 1.00 0.00 C ATOM 111 CG ARG A 11 -3.006 16.771 7.822 1.00 0.00 C ATOM 112 CD ARG A 11 -2.485 17.982 8.581 1.00 0.00 C ATOM 113 NE ARG A 11 -2.783 17.903 10.008 1.00 0.00 N ATOM 114 CZ ARG A 11 -2.709 18.941 10.833 1.00 0.00 C ATOM 115 NH1 ARG A 11 -2.349 20.132 10.374 1.00 0.00 N ATOM 116 NH2 ARG A 11 -2.996 18.790 12.120 1.00 0.00 N ATOM 0 H ARG A 11 -1.990 14.759 5.602 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.287 16.323 7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.780 14.646 7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.894 15.527 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.996 16.979 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.043 16.584 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.407 18.062 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.929 18.888 8.168 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.063 17.001 10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.128 20.252 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.293 20.928 11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.274 17.876 12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.939 19.588 12.752 1.00 0.00 H new ATOM 130 N GLU A 12 0.566 14.276 8.801 1.00 0.00 N ATOM 131 CA GLU A 12 1.368 13.162 9.290 1.00 0.00 C ATOM 132 C GLU A 12 0.478 12.036 9.809 1.00 0.00 C ATOM 133 O GLU A 12 -0.217 12.191 10.814 1.00 0.00 O ATOM 134 CB GLU A 12 2.312 13.632 10.399 1.00 0.00 C ATOM 135 CG GLU A 12 3.342 12.590 10.804 1.00 0.00 C ATOM 136 CD GLU A 12 4.182 13.030 11.987 1.00 0.00 C ATOM 137 OE1 GLU A 12 4.498 14.235 12.076 1.00 0.00 O ATOM 138 OE2 GLU A 12 4.524 12.168 12.825 1.00 0.00 O ATOM 0 H GLU A 12 0.568 15.096 9.408 1.00 0.00 H new ATOM 0 HA GLU A 12 1.958 12.781 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.829 14.532 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.723 13.907 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.833 11.658 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.995 12.382 9.957 1.00 0.00 H new ATOM 145 N LEU A 13 0.503 10.903 9.116 1.00 0.00 N ATOM 146 CA LEU A 13 -0.302 9.750 9.505 1.00 0.00 C ATOM 147 C LEU A 13 0.567 8.668 10.138 1.00 0.00 C ATOM 148 O LEU A 13 1.764 8.864 10.350 1.00 0.00 O ATOM 149 CB LEU A 13 -1.037 9.183 8.289 1.00 0.00 C ATOM 150 CG LEU A 13 -2.326 9.901 7.889 1.00 0.00 C ATOM 151 CD1 LEU A 13 -2.828 9.389 6.548 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.390 9.724 8.962 1.00 0.00 C ATOM 0 H LEU A 13 1.072 10.758 8.282 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.033 10.081 10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.356 9.200 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.274 8.138 8.487 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.111 10.965 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.746 9.911 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.072 9.568 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.026 8.319 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.301 10.242 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.602 8.663 9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.031 10.141 9.903 1.00 0.00 H new ATOM 164 N CYS A 14 -0.042 7.526 10.436 1.00 0.00 N ATOM 165 CA CYS A 14 0.676 6.412 11.043 1.00 0.00 C ATOM 166 C CYS A 14 -0.129 5.121 10.932 1.00 0.00 C ATOM 167 O CYS A 14 -1.358 5.149 10.856 1.00 0.00 O ATOM 168 CB CYS A 14 0.979 6.713 12.512 1.00 0.00 C ATOM 169 SG CYS A 14 2.506 5.960 13.120 1.00 0.00 S ATOM 0 H CYS A 14 -1.032 7.347 10.267 1.00 0.00 H new ATOM 0 HA CYS A 14 1.615 6.281 10.505 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.041 7.793 12.645 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.146 6.364 13.123 1.00 0.00 H new ATOM 0 HG CYS A 14 2.900 5.044 12.286 1.00 0.00 H new ATOM 175 N ILE A 15 0.572 3.992 10.923 1.00 0.00 N ATOM 176 CA ILE A 15 -0.078 2.691 10.820 1.00 0.00 C ATOM 177 C ILE A 15 0.348 1.773 11.961 1.00 0.00 C ATOM 178 O ILE A 15 1.526 1.447 12.101 1.00 0.00 O ATOM 179 CB ILE A 15 0.241 2.006 9.478 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.030 2.963 8.315 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.576 0.733 9.326 1.00 0.00 C ATOM 182 CD1 ILE A 15 0.143 2.325 6.955 1.00 0.00 C ATOM 0 H ILE A 15 1.589 3.952 10.986 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.152 2.869 10.881 1.00 0.00 H new ATOM 0 HB ILE A 15 1.298 1.739 9.465 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.046 3.347 8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.642 3.818 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.339 0.260 8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.337 0.048 10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.638 0.976 9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.065 3.061 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.167 1.966 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.548 1.488 6.855 1.00 0.00 H new ATOM 194 N GLN A 16 -0.620 1.357 12.771 1.00 0.00 N ATOM 195 CA GLN A 16 -0.345 0.475 13.899 1.00 0.00 C ATOM 196 C GLN A 16 -0.551 -0.986 13.510 1.00 0.00 C ATOM 197 O GLN A 16 -1.664 -1.404 13.193 1.00 0.00 O ATOM 198 CB GLN A 16 -1.245 0.831 15.084 1.00 0.00 C ATOM 199 CG GLN A 16 -0.612 1.816 16.054 1.00 0.00 C ATOM 200 CD GLN A 16 -1.638 2.681 16.759 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.139 2.324 17.826 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.955 3.826 16.166 1.00 0.00 N ATOM 0 H GLN A 16 -1.601 1.616 12.667 1.00 0.00 H new ATOM 0 HA GLN A 16 0.697 0.612 14.189 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.177 1.252 14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.502 -0.082 15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.033 1.267 16.797 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.086 2.455 15.513 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.515 4.082 15.282 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.639 4.450 16.594 1.00 0.00 H new ATOM 211 N LYS A 17 0.530 -1.758 13.537 1.00 0.00 N ATOM 212 CA LYS A 17 0.470 -3.172 13.189 1.00 0.00 C ATOM 213 C LYS A 17 1.114 -4.028 14.275 1.00 0.00 C ATOM 214 O LYS A 17 1.838 -3.521 15.130 1.00 0.00 O ATOM 215 CB LYS A 17 1.168 -3.419 11.850 1.00 0.00 C ATOM 216 CG LYS A 17 2.667 -3.628 11.975 1.00 0.00 C ATOM 217 CD LYS A 17 3.376 -3.385 10.653 1.00 0.00 C ATOM 218 CE LYS A 17 3.436 -1.903 10.316 1.00 0.00 C ATOM 219 NZ LYS A 17 4.650 -1.254 10.883 1.00 0.00 N ATOM 0 H LYS A 17 1.459 -1.427 13.797 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.579 -3.455 13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.726 -4.295 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.982 -2.571 11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.067 -2.954 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.867 -4.644 12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.387 -3.789 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.857 -3.919 9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.428 -1.776 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.545 -1.407 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.366 -0.518 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.229 -1.967 11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.204 -0.823 10.115 1.00 0.00 H new ATOM 233 N ALA A 18 0.845 -5.329 14.234 1.00 0.00 N ATOM 234 CA ALA A 18 1.401 -6.256 15.212 1.00 0.00 C ATOM 235 C ALA A 18 2.886 -5.991 15.437 1.00 0.00 C ATOM 236 O ALA A 18 3.526 -5.240 14.700 1.00 0.00 O ATOM 237 CB ALA A 18 1.181 -7.692 14.763 1.00 0.00 C ATOM 0 H ALA A 18 0.245 -5.765 13.534 1.00 0.00 H new ATOM 0 HA ALA A 18 0.883 -6.100 16.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.601 -8.373 15.503 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.112 -7.882 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.671 -7.852 13.803 1.00 0.00 H new ATOM 243 N PRO A 19 3.449 -6.621 16.478 1.00 0.00 N ATOM 244 CA PRO A 19 4.865 -6.468 16.824 1.00 0.00 C ATOM 245 C PRO A 19 5.786 -7.128 15.802 1.00 0.00 C ATOM 246 O PRO A 19 7.007 -7.112 15.951 1.00 0.00 O ATOM 247 CB PRO A 19 4.978 -7.173 18.178 1.00 0.00 C ATOM 248 CG PRO A 19 3.863 -8.161 18.185 1.00 0.00 C ATOM 249 CD PRO A 19 2.747 -7.530 17.399 1.00 0.00 C ATOM 0 HA PRO A 19 5.168 -5.421 16.846 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.944 -7.666 18.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.885 -6.465 19.002 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.174 -9.104 17.734 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.546 -8.384 19.204 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.164 -8.276 16.860 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.055 -6.991 18.046 1.00 0.00 H new ATOM 257 N GLY A 20 5.191 -7.707 14.764 1.00 0.00 N ATOM 258 CA GLY A 20 5.973 -8.364 13.732 1.00 0.00 C ATOM 259 C GLY A 20 5.145 -8.712 12.511 1.00 0.00 C ATOM 260 O GLY A 20 5.273 -9.805 11.959 1.00 0.00 O ATOM 0 H GLY A 20 4.182 -7.733 14.619 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.797 -7.714 13.436 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.415 -9.274 14.139 1.00 0.00 H new ATOM 264 N GLU A 21 4.293 -7.783 12.090 1.00 0.00 N ATOM 265 CA GLU A 21 3.440 -8.000 10.928 1.00 0.00 C ATOM 266 C GLU A 21 3.914 -7.165 9.742 1.00 0.00 C ATOM 267 O GLU A 21 4.333 -6.019 9.903 1.00 0.00 O ATOM 268 CB GLU A 21 1.988 -7.653 11.262 1.00 0.00 C ATOM 269 CG GLU A 21 1.022 -7.910 10.118 1.00 0.00 C ATOM 270 CD GLU A 21 1.273 -9.238 9.430 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.504 -10.240 10.139 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.238 -9.275 8.182 1.00 0.00 O ATOM 0 H GLU A 21 4.175 -6.873 12.536 1.00 0.00 H new ATOM 0 HA GLU A 21 3.501 -9.054 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.674 -8.235 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.930 -6.602 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.001 -7.889 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.107 -7.105 9.388 1.00 0.00 H new ATOM 279 N ARG A 22 3.844 -7.749 8.550 1.00 0.00 N ATOM 280 CA ARG A 22 4.268 -7.060 7.336 1.00 0.00 C ATOM 281 C ARG A 22 3.152 -6.169 6.799 1.00 0.00 C ATOM 282 O ARG A 22 2.060 -6.644 6.485 1.00 0.00 O ATOM 283 CB ARG A 22 4.684 -8.074 6.268 1.00 0.00 C ATOM 284 CG ARG A 22 6.112 -8.570 6.423 1.00 0.00 C ATOM 285 CD ARG A 22 6.270 -9.987 5.894 1.00 0.00 C ATOM 286 NE ARG A 22 7.642 -10.470 6.023 1.00 0.00 N ATOM 287 CZ ARG A 22 7.974 -11.756 6.003 1.00 0.00 C ATOM 288 NH1 ARG A 22 7.038 -12.683 5.860 1.00 0.00 N ATOM 289 NH2 ARG A 22 9.245 -12.116 6.126 1.00 0.00 N ATOM 0 H ARG A 22 3.498 -8.697 8.399 1.00 0.00 H new ATOM 0 HA ARG A 22 5.124 -6.432 7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.006 -8.927 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.571 -7.619 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.790 -7.904 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.397 -8.539 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.599 -10.653 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.972 -10.018 4.846 1.00 0.00 H new ATOM 0 HE ARG A 22 8.387 -9.782 6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.060 -12.410 5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.296 -13.670 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.968 -11.405 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.499 -13.104 6.111 1.00 0.00 H new ATOM 303 N LEU A 23 3.433 -4.875 6.697 1.00 0.00 N ATOM 304 CA LEU A 23 2.454 -3.916 6.199 1.00 0.00 C ATOM 305 C LEU A 23 1.547 -4.557 5.154 1.00 0.00 C ATOM 306 O LEU A 23 0.325 -4.570 5.301 1.00 0.00 O ATOM 307 CB LEU A 23 3.161 -2.699 5.599 1.00 0.00 C ATOM 308 CG LEU A 23 2.423 -1.365 5.723 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.979 -1.511 5.271 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.488 -0.851 7.153 1.00 0.00 C ATOM 0 H LEU A 23 4.332 -4.466 6.953 1.00 0.00 H new ATOM 0 HA LEU A 23 1.839 -3.593 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.136 -2.598 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.343 -2.894 4.542 1.00 0.00 H new ATOM 0 HG LEU A 23 2.913 -0.638 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.469 -0.552 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.954 -1.833 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.476 -2.252 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.958 0.099 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.023 -1.576 7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.529 -0.707 7.441 1.00 0.00 H new ATOM 322 N GLY A 24 2.154 -5.091 4.098 1.00 0.00 N ATOM 323 CA GLY A 24 1.386 -5.728 3.044 1.00 0.00 C ATOM 324 C GLY A 24 0.874 -4.737 2.018 1.00 0.00 C ATOM 325 O GLY A 24 -0.266 -4.837 1.564 1.00 0.00 O ATOM 0 H GLY A 24 3.164 -5.094 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.007 -6.473 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.542 -6.259 3.484 1.00 0.00 H new ATOM 329 N ILE A 25 1.717 -3.777 1.653 1.00 0.00 N ATOM 330 CA ILE A 25 1.343 -2.764 0.675 1.00 0.00 C ATOM 331 C ILE A 25 2.294 -2.773 -0.517 1.00 0.00 C ATOM 332 O ILE A 25 3.323 -3.449 -0.499 1.00 0.00 O ATOM 333 CB ILE A 25 1.334 -1.356 1.299 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.568 -1.156 2.181 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.061 -1.142 2.104 1.00 0.00 C ATOM 336 CD1 ILE A 25 3.036 0.281 2.250 1.00 0.00 C ATOM 0 H ILE A 25 2.664 -3.680 2.020 1.00 0.00 H new ATOM 0 HA ILE A 25 0.337 -3.009 0.336 1.00 0.00 H new ATOM 0 HB ILE A 25 1.362 -0.619 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.344 -1.505 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.380 -1.776 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.069 -0.143 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.805 -1.246 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.005 -1.884 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.914 0.347 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.292 0.629 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.240 0.904 2.658 1.00 0.00 H new ATOM 348 N SER A 26 1.944 -2.017 -1.552 1.00 0.00 N ATOM 349 CA SER A 26 2.765 -1.939 -2.755 1.00 0.00 C ATOM 350 C SER A 26 2.756 -0.525 -3.328 1.00 0.00 C ATOM 351 O SER A 26 1.754 0.186 -3.241 1.00 0.00 O ATOM 352 CB SER A 26 2.263 -2.931 -3.806 1.00 0.00 C ATOM 353 OG SER A 26 2.922 -4.179 -3.685 1.00 0.00 O ATOM 0 H SER A 26 1.097 -1.449 -1.582 1.00 0.00 H new ATOM 0 HA SER A 26 3.789 -2.196 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.188 -3.072 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.429 -2.524 -4.803 1.00 0.00 H new ATOM 0 HG SER A 26 2.582 -4.796 -4.367 1.00 0.00 H new ATOM 359 N ILE A 27 3.878 -0.124 -3.915 1.00 0.00 N ATOM 360 CA ILE A 27 4.000 1.203 -4.504 1.00 0.00 C ATOM 361 C ILE A 27 4.692 1.141 -5.862 1.00 0.00 C ATOM 362 O ILE A 27 5.367 0.162 -6.182 1.00 0.00 O ATOM 363 CB ILE A 27 4.784 2.158 -3.584 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.258 1.750 -3.527 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.177 2.166 -2.189 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.135 2.753 -2.811 1.00 0.00 C ATOM 0 H ILE A 27 4.716 -0.700 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 27 2.987 1.585 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 27 4.721 3.167 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.340 0.785 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.629 1.615 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.742 2.845 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.140 2.498 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.213 1.160 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.166 2.399 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.082 3.714 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.790 2.870 -1.784 1.00 0.00 H new ATOM 378 N ARG A 28 4.522 2.194 -6.655 1.00 0.00 N ATOM 379 CA ARG A 28 5.131 2.259 -7.978 1.00 0.00 C ATOM 380 C ARG A 28 5.828 3.600 -8.190 1.00 0.00 C ATOM 381 O ARG A 28 5.325 4.645 -7.779 1.00 0.00 O ATOM 382 CB ARG A 28 4.072 2.047 -9.062 1.00 0.00 C ATOM 383 CG ARG A 28 3.033 3.154 -9.123 1.00 0.00 C ATOM 384 CD ARG A 28 2.083 2.962 -10.295 1.00 0.00 C ATOM 385 NE ARG A 28 2.753 3.149 -11.579 1.00 0.00 N ATOM 386 CZ ARG A 28 3.381 2.176 -12.229 1.00 0.00 C ATOM 387 NH1 ARG A 28 3.425 0.953 -11.718 1.00 0.00 N ATOM 388 NH2 ARG A 28 3.968 2.424 -13.393 1.00 0.00 N ATOM 0 H ARG A 28 3.968 3.013 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 28 5.876 1.466 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.566 1.970 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.568 1.097 -8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.466 3.174 -8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.532 4.119 -9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.653 1.961 -10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.257 3.668 -10.211 1.00 0.00 H new ATOM 0 HE ARG A 28 2.738 4.078 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.976 0.758 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.908 0.208 -12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.937 3.363 -13.790 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.450 1.675 -13.891 1.00 0.00 H new ATOM 402 N GLY A 29 6.991 3.562 -8.834 1.00 0.00 N ATOM 403 CA GLY A 29 7.739 4.779 -9.089 1.00 0.00 C ATOM 404 C GLY A 29 9.231 4.592 -8.902 1.00 0.00 C ATOM 405 O GLY A 29 9.744 3.480 -9.019 1.00 0.00 O ATOM 0 H GLY A 29 7.428 2.709 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.543 5.116 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.388 5.565 -8.420 1.00 0.00 H new ATOM 409 N GLY A 30 9.931 5.685 -8.612 1.00 0.00 N ATOM 410 CA GLY A 30 11.367 5.616 -8.415 1.00 0.00 C ATOM 411 C GLY A 30 12.096 6.786 -9.045 1.00 0.00 C ATOM 412 O GLY A 30 11.495 7.590 -9.757 1.00 0.00 O ATOM 0 H GLY A 30 9.529 6.617 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.583 5.590 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.744 4.686 -8.839 1.00 0.00 H new ATOM 611 N GLY A 45 7.980 10.589 -9.583 1.00 0.00 N ATOM 612 CA GLY A 45 7.005 10.502 -8.512 1.00 0.00 C ATOM 613 C GLY A 45 6.798 9.080 -8.030 1.00 0.00 C ATOM 614 O GLY A 45 6.918 8.131 -8.805 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.331 11.122 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.054 10.907 -8.857 1.00 0.00 H new ATOM 618 N ILE A 46 6.488 8.931 -6.746 1.00 0.00 N ATOM 619 CA ILE A 46 6.265 7.615 -6.162 1.00 0.00 C ATOM 620 C ILE A 46 4.933 7.559 -5.423 1.00 0.00 C ATOM 621 O ILE A 46 4.719 8.285 -4.452 1.00 0.00 O ATOM 622 CB ILE A 46 7.396 7.232 -5.189 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.731 7.146 -5.931 1.00 0.00 C ATOM 624 CG2 ILE A 46 7.080 5.911 -4.503 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.932 7.108 -5.013 1.00 0.00 C ATOM 0 H ILE A 46 6.386 9.706 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 46 6.249 6.903 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 46 7.475 8.006 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.733 6.253 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.822 8.002 -6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.888 5.654 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.148 6.004 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.977 5.127 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.843 7.047 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.955 8.013 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.865 6.236 -4.362 1.00 0.00 H new ATOM 637 N PHE A 47 4.040 6.692 -5.889 1.00 0.00 N ATOM 638 CA PHE A 47 2.727 6.541 -5.271 1.00 0.00 C ATOM 639 C PHE A 47 2.408 5.069 -5.027 1.00 0.00 C ATOM 640 O PHE A 47 3.234 4.193 -5.284 1.00 0.00 O ATOM 641 CB PHE A 47 1.649 7.168 -6.157 1.00 0.00 C ATOM 642 CG PHE A 47 1.999 8.545 -6.644 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.084 8.742 -7.484 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.245 9.642 -6.262 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.409 10.007 -7.935 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.565 10.910 -6.710 1.00 0.00 C ATOM 647 CZ PHE A 47 2.649 11.093 -7.546 1.00 0.00 C ATOM 0 H PHE A 47 4.201 6.084 -6.692 1.00 0.00 H new ATOM 0 HA PHE A 47 2.743 7.056 -4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.475 6.521 -7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.714 7.215 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.683 7.897 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.397 9.505 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.256 10.146 -8.591 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.968 11.757 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.902 12.083 -7.895 1.00 0.00 H new ATOM 657 N ILE A 48 1.205 4.806 -4.529 1.00 0.00 N ATOM 658 CA ILE A 48 0.775 3.441 -4.250 1.00 0.00 C ATOM 659 C ILE A 48 0.207 2.777 -5.500 1.00 0.00 C ATOM 660 O ILE A 48 -0.511 3.406 -6.277 1.00 0.00 O ATOM 661 CB ILE A 48 -0.285 3.401 -3.134 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.326 3.847 -1.804 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.873 2.003 -3.011 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.676 3.920 -0.673 1.00 0.00 C ATOM 0 H ILE A 48 0.510 5.520 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 48 1.658 2.894 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.089 4.090 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.122 3.155 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.786 4.827 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.621 1.991 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.340 1.721 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.080 1.294 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.173 4.243 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.460 4.634 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.118 2.936 -0.515 1.00 0.00 H new ATOM 676 N SER A 49 0.532 1.502 -5.685 1.00 0.00 N ATOM 677 CA SER A 49 0.056 0.752 -6.842 1.00 0.00 C ATOM 678 C SER A 49 -0.792 -0.439 -6.406 1.00 0.00 C ATOM 679 O SER A 49 -1.465 -1.069 -7.221 1.00 0.00 O ATOM 680 CB SER A 49 1.237 0.271 -7.686 1.00 0.00 C ATOM 681 OG SER A 49 2.195 -0.402 -6.887 1.00 0.00 O ATOM 0 H SER A 49 1.123 0.966 -5.049 1.00 0.00 H new ATOM 0 HA SER A 49 -0.564 1.416 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.880 -0.396 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.705 1.122 -8.181 1.00 0.00 H new ATOM 0 HG SER A 49 2.939 -0.701 -7.450 1.00 0.00 H new ATOM 687 N LYS A 50 -0.752 -0.743 -5.113 1.00 0.00 N ATOM 688 CA LYS A 50 -1.516 -1.858 -4.565 1.00 0.00 C ATOM 689 C LYS A 50 -1.373 -1.922 -3.048 1.00 0.00 C ATOM 690 O LYS A 50 -0.344 -1.533 -2.494 1.00 0.00 O ATOM 691 CB LYS A 50 -1.052 -3.176 -5.188 1.00 0.00 C ATOM 692 CG LYS A 50 -1.444 -4.402 -4.381 1.00 0.00 C ATOM 693 CD LYS A 50 -1.567 -5.634 -5.262 1.00 0.00 C ATOM 694 CE LYS A 50 -2.093 -6.828 -4.481 1.00 0.00 C ATOM 695 NZ LYS A 50 -3.551 -6.708 -4.200 1.00 0.00 N ATOM 0 H LYS A 50 -0.198 -0.233 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.567 -1.699 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.472 -3.262 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.032 -3.155 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.700 -4.581 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.392 -4.218 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.235 -5.421 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.593 -5.877 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.906 -7.742 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.548 -6.916 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.885 -7.571 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.719 -5.887 -3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.068 -6.582 -5.094 1.00 0.00 H new ATOM 709 N VAL A 51 -2.410 -2.417 -2.380 1.00 0.00 N ATOM 710 CA VAL A 51 -2.398 -2.534 -0.927 1.00 0.00 C ATOM 711 C VAL A 51 -3.368 -3.612 -0.455 1.00 0.00 C ATOM 712 O VAL A 51 -4.577 -3.509 -0.666 1.00 0.00 O ATOM 713 CB VAL A 51 -2.764 -1.199 -0.253 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.741 -0.415 -1.115 1.00 0.00 C ATOM 715 CG2 VAL A 51 -3.340 -1.442 1.134 1.00 0.00 C ATOM 0 H VAL A 51 -3.269 -2.743 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.383 -2.811 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.856 -0.606 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.988 0.525 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.287 -0.208 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.650 -0.999 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.593 -0.487 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.238 -2.055 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.603 -1.958 1.749 1.00 0.00 H new ATOM 725 N SER A 52 -2.831 -4.645 0.186 1.00 0.00 N ATOM 726 CA SER A 52 -3.648 -5.744 0.686 1.00 0.00 C ATOM 727 C SER A 52 -4.572 -5.269 1.803 1.00 0.00 C ATOM 728 O SER A 52 -4.181 -4.502 2.683 1.00 0.00 O ATOM 729 CB SER A 52 -2.758 -6.880 1.193 1.00 0.00 C ATOM 730 OG SER A 52 -3.521 -8.043 1.466 1.00 0.00 O ATOM 0 H SER A 52 -1.833 -4.744 0.371 1.00 0.00 H new ATOM 0 HA SER A 52 -4.261 -6.112 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.995 -7.108 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.237 -6.563 2.096 1.00 0.00 H new ATOM 0 HG SER A 52 -3.490 -8.237 2.426 1.00 0.00 H new ATOM 736 N PRO A 53 -5.830 -5.735 1.768 1.00 0.00 N ATOM 737 CA PRO A 53 -6.836 -5.372 2.770 1.00 0.00 C ATOM 738 C PRO A 53 -6.543 -5.986 4.135 1.00 0.00 C ATOM 739 O PRO A 53 -6.946 -5.450 5.168 1.00 0.00 O ATOM 740 CB PRO A 53 -8.133 -5.946 2.193 1.00 0.00 C ATOM 741 CG PRO A 53 -7.694 -7.067 1.316 1.00 0.00 C ATOM 742 CD PRO A 53 -6.365 -6.652 0.748 1.00 0.00 C ATOM 0 HA PRO A 53 -6.869 -4.296 2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.796 -6.298 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.682 -5.193 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.604 -7.994 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.418 -7.248 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.709 -7.509 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.477 -6.158 -0.217 1.00 0.00 H new ATOM 750 N THR A 54 -5.839 -7.113 4.133 1.00 0.00 N ATOM 751 CA THR A 54 -5.492 -7.800 5.371 1.00 0.00 C ATOM 752 C THR A 54 -4.258 -7.180 6.017 1.00 0.00 C ATOM 753 O THR A 54 -4.077 -7.254 7.231 1.00 0.00 O ATOM 754 CB THR A 54 -5.232 -9.299 5.128 1.00 0.00 C ATOM 755 OG1 THR A 54 -4.084 -9.467 4.289 1.00 0.00 O ATOM 756 CG2 THR A 54 -6.440 -9.959 4.481 1.00 0.00 C ATOM 0 H THR A 54 -5.498 -7.570 3.287 1.00 0.00 H new ATOM 0 HA THR A 54 -6.344 -7.691 6.042 1.00 0.00 H new ATOM 0 HB THR A 54 -5.050 -9.775 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.924 -10.422 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.233 -11.017 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.306 -9.854 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.648 -9.479 3.525 1.00 0.00 H new ATOM 764 N GLY A 55 -3.411 -6.566 5.196 1.00 0.00 N ATOM 765 CA GLY A 55 -2.205 -5.941 5.706 1.00 0.00 C ATOM 766 C GLY A 55 -2.498 -4.882 6.750 1.00 0.00 C ATOM 767 O GLY A 55 -3.657 -4.559 7.007 1.00 0.00 O ATOM 0 H GLY A 55 -3.539 -6.490 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.559 -6.705 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.656 -5.490 4.880 1.00 0.00 H new ATOM 771 N ALA A 56 -1.444 -4.342 7.354 1.00 0.00 N ATOM 772 CA ALA A 56 -1.594 -3.313 8.375 1.00 0.00 C ATOM 773 C ALA A 56 -2.254 -2.063 7.803 1.00 0.00 C ATOM 774 O ALA A 56 -2.984 -1.359 8.501 1.00 0.00 O ATOM 775 CB ALA A 56 -0.241 -2.968 8.979 1.00 0.00 C ATOM 0 H ALA A 56 -0.478 -4.600 7.154 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.241 -3.706 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.368 -2.198 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.193 -3.859 9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.423 -2.599 8.197 1.00 0.00 H new ATOM 781 N ALA A 57 -1.992 -1.792 6.528 1.00 0.00 N ATOM 782 CA ALA A 57 -2.562 -0.627 5.862 1.00 0.00 C ATOM 783 C ALA A 57 -4.020 -0.869 5.486 1.00 0.00 C ATOM 784 O ALA A 57 -4.927 -0.265 6.058 1.00 0.00 O ATOM 785 CB ALA A 57 -1.748 -0.276 4.626 1.00 0.00 C ATOM 0 H ALA A 57 -1.389 -2.363 5.936 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.527 0.212 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.185 0.596 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.722 -0.053 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.754 -1.119 3.935 1.00 0.00 H new ATOM 791 N GLY A 58 -4.239 -1.755 4.520 1.00 0.00 N ATOM 792 CA GLY A 58 -5.589 -2.060 4.084 1.00 0.00 C ATOM 793 C GLY A 58 -6.579 -2.073 5.232 1.00 0.00 C ATOM 794 O GLY A 58 -7.668 -1.509 5.127 1.00 0.00 O ATOM 0 H GLY A 58 -3.505 -2.268 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.904 -1.324 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.597 -3.031 3.590 1.00 0.00 H new ATOM 798 N ARG A 59 -6.202 -2.721 6.329 1.00 0.00 N ATOM 799 CA ARG A 59 -7.067 -2.808 7.500 1.00 0.00 C ATOM 800 C ARG A 59 -7.230 -1.441 8.158 1.00 0.00 C ATOM 801 O ARG A 59 -8.297 -1.115 8.679 1.00 0.00 O ATOM 802 CB ARG A 59 -6.496 -3.807 8.509 1.00 0.00 C ATOM 803 CG ARG A 59 -5.210 -3.338 9.169 1.00 0.00 C ATOM 804 CD ARG A 59 -4.615 -4.418 10.059 1.00 0.00 C ATOM 805 NE ARG A 59 -3.831 -3.854 11.155 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.593 -4.495 12.294 1.00 0.00 C ATOM 807 NH1 ARG A 59 -4.075 -5.715 12.485 1.00 0.00 N ATOM 808 NH2 ARG A 59 -2.871 -3.915 13.244 1.00 0.00 N ATOM 0 H ARG A 59 -5.304 -3.193 6.432 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.047 -3.153 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.242 -3.998 9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.310 -4.755 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.488 -3.058 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.409 -2.445 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.417 -5.034 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.982 -5.073 9.460 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.445 -2.917 11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.630 -6.164 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.891 -6.205 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.498 -2.976 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.689 -4.408 14.118 1.00 0.00 H new ATOM 822 N ASP A 60 -6.166 -0.646 8.131 1.00 0.00 N ATOM 823 CA ASP A 60 -6.191 0.685 8.725 1.00 0.00 C ATOM 824 C ASP A 60 -7.466 1.428 8.340 1.00 0.00 C ATOM 825 O ASP A 60 -8.297 1.740 9.192 1.00 0.00 O ATOM 826 CB ASP A 60 -4.966 1.487 8.283 1.00 0.00 C ATOM 827 CG ASP A 60 -4.914 2.863 8.918 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.012 2.946 10.161 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.774 3.855 8.174 1.00 0.00 O ATOM 0 H ASP A 60 -5.275 -0.900 7.704 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.171 0.572 9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.062 0.936 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.976 1.591 7.198 1.00 0.00 H new ATOM 834 N GLY A 61 -7.614 1.710 7.049 1.00 0.00 N ATOM 835 CA GLY A 61 -8.790 2.415 6.573 1.00 0.00 C ATOM 836 C GLY A 61 -8.440 3.658 5.779 1.00 0.00 C ATOM 837 O GLY A 61 -9.262 4.169 5.019 1.00 0.00 O ATOM 0 H GLY A 61 -6.940 1.463 6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.384 1.746 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.411 2.694 7.424 1.00 0.00 H new ATOM 841 N ARG A 62 -7.217 4.146 5.957 1.00 0.00 N ATOM 842 CA ARG A 62 -6.760 5.339 5.254 1.00 0.00 C ATOM 843 C ARG A 62 -5.931 4.964 4.029 1.00 0.00 C ATOM 844 O ARG A 62 -6.188 5.438 2.922 1.00 0.00 O ATOM 845 CB ARG A 62 -5.936 6.225 6.189 1.00 0.00 C ATOM 846 CG ARG A 62 -6.626 6.523 7.511 1.00 0.00 C ATOM 847 CD ARG A 62 -7.617 7.668 7.376 1.00 0.00 C ATOM 848 NE ARG A 62 -8.909 7.218 6.865 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.986 7.992 6.806 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.928 9.249 7.225 1.00 0.00 N ATOM 851 NH2 ARG A 62 -11.126 7.510 6.328 1.00 0.00 N ATOM 0 H ARG A 62 -6.524 3.734 6.582 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.638 5.892 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.981 5.739 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.715 7.165 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.145 5.631 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.879 6.774 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.757 8.142 8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.207 8.425 6.708 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.988 6.256 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.054 9.624 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.757 9.841 7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.176 6.544 6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.953 8.106 6.283 1.00 0.00 H new ATOM 865 N LEU A 63 -4.934 4.110 4.236 1.00 0.00 N ATOM 866 CA LEU A 63 -4.065 3.671 3.149 1.00 0.00 C ATOM 867 C LEU A 63 -4.881 3.073 2.008 1.00 0.00 C ATOM 868 O LEU A 63 -5.736 2.214 2.226 1.00 0.00 O ATOM 869 CB LEU A 63 -3.054 2.644 3.661 1.00 0.00 C ATOM 870 CG LEU A 63 -1.709 2.607 2.935 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.912 2.368 1.447 1.00 0.00 C ATOM 872 CD2 LEU A 63 -0.939 3.898 3.170 1.00 0.00 C ATOM 0 H LEU A 63 -4.707 3.708 5.146 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.529 4.542 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.869 2.841 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.507 1.655 3.596 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.123 1.781 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.944 2.345 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.421 1.416 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.517 3.172 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.015 3.853 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.519 4.741 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.761 4.026 4.238 1.00 0.00 H new ATOM 884 N ARG A 64 -4.609 3.530 0.790 1.00 0.00 N ATOM 885 CA ARG A 64 -5.317 3.038 -0.386 1.00 0.00 C ATOM 886 C ARG A 64 -4.555 3.383 -1.663 1.00 0.00 C ATOM 887 O ARG A 64 -3.835 4.380 -1.719 1.00 0.00 O ATOM 888 CB ARG A 64 -6.726 3.632 -0.444 1.00 0.00 C ATOM 889 CG ARG A 64 -6.752 5.149 -0.363 1.00 0.00 C ATOM 890 CD ARG A 64 -7.988 5.722 -1.039 1.00 0.00 C ATOM 891 NE ARG A 64 -9.154 5.694 -0.160 1.00 0.00 N ATOM 892 CZ ARG A 64 -10.369 6.075 -0.540 1.00 0.00 C ATOM 893 NH1 ARG A 64 -10.575 6.510 -1.775 1.00 0.00 N ATOM 894 NH2 ARG A 64 -11.381 6.019 0.317 1.00 0.00 N ATOM 0 H ARG A 64 -3.904 4.240 0.592 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.390 1.953 -0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.205 3.318 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.317 3.223 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.731 5.459 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.857 5.555 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.790 6.749 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.202 5.154 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.029 5.364 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.800 6.553 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.509 6.802 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.226 5.683 1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.313 6.312 0.025 1.00 0.00 H new ATOM 908 N VAL A 65 -4.719 2.551 -2.687 1.00 0.00 N ATOM 909 CA VAL A 65 -4.048 2.768 -3.963 1.00 0.00 C ATOM 910 C VAL A 65 -4.447 4.107 -4.573 1.00 0.00 C ATOM 911 O VAL A 65 -5.549 4.258 -5.098 1.00 0.00 O ATOM 912 CB VAL A 65 -4.370 1.643 -4.965 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.840 1.991 -6.347 1.00 0.00 C ATOM 914 CG2 VAL A 65 -3.796 0.320 -4.482 1.00 0.00 C ATOM 0 H VAL A 65 -5.311 1.721 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.977 2.769 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.453 1.540 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.077 1.185 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.304 2.915 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.759 2.123 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.033 -0.464 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.714 0.407 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.229 0.067 -3.514 1.00 0.00 H new ATOM 924 N GLY A 66 -3.541 5.078 -4.500 1.00 0.00 N ATOM 925 CA GLY A 66 -3.817 6.392 -5.050 1.00 0.00 C ATOM 926 C GLY A 66 -3.200 7.506 -4.227 1.00 0.00 C ATOM 927 O GLY A 66 -3.208 8.668 -4.636 1.00 0.00 O ATOM 0 H GLY A 66 -2.622 4.978 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.435 6.443 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.895 6.540 -5.106 1.00 0.00 H new ATOM 931 N LEU A 67 -2.665 7.153 -3.064 1.00 0.00 N ATOM 932 CA LEU A 67 -2.042 8.132 -2.180 1.00 0.00 C ATOM 933 C LEU A 67 -0.557 8.281 -2.493 1.00 0.00 C ATOM 934 O LEU A 67 0.173 7.292 -2.571 1.00 0.00 O ATOM 935 CB LEU A 67 -2.228 7.720 -0.719 1.00 0.00 C ATOM 936 CG LEU A 67 -3.674 7.566 -0.244 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.732 6.734 1.028 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.310 8.930 -0.020 1.00 0.00 C ATOM 0 H LEU A 67 -2.650 6.196 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.527 9.094 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.712 6.773 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.736 8.460 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.238 7.047 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.768 6.635 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.316 5.745 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.153 7.225 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.338 8.801 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.745 9.475 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.303 9.493 -0.954 1.00 0.00 H new ATOM 950 N ARG A 68 -0.115 9.522 -2.669 1.00 0.00 N ATOM 951 CA ARG A 68 1.283 9.800 -2.972 1.00 0.00 C ATOM 952 C ARG A 68 2.136 9.740 -1.708 1.00 0.00 C ATOM 953 O ARG A 68 1.864 10.437 -0.729 1.00 0.00 O ATOM 954 CB ARG A 68 1.421 11.175 -3.629 1.00 0.00 C ATOM 955 CG ARG A 68 2.839 11.499 -4.070 1.00 0.00 C ATOM 956 CD ARG A 68 2.987 12.968 -4.435 1.00 0.00 C ATOM 957 NE ARG A 68 4.386 13.354 -4.595 1.00 0.00 N ATOM 958 CZ ARG A 68 4.789 14.611 -4.745 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.903 15.598 -4.755 1.00 0.00 N ATOM 960 NH2 ARG A 68 6.080 14.883 -4.884 1.00 0.00 N ATOM 0 H ARG A 68 -0.706 10.351 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 68 1.637 9.037 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.760 11.223 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.084 11.939 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.536 11.250 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.105 10.881 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.448 13.167 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.528 13.582 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 68 5.093 12.618 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.910 15.393 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.215 16.562 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.764 14.127 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.388 15.848 -4.999 1.00 0.00 H new ATOM 974 N LEU A 69 3.167 8.904 -1.735 1.00 0.00 N ATOM 975 CA LEU A 69 4.060 8.752 -0.592 1.00 0.00 C ATOM 976 C LEU A 69 5.003 9.945 -0.475 1.00 0.00 C ATOM 977 O LEU A 69 5.855 10.164 -1.338 1.00 0.00 O ATOM 978 CB LEU A 69 4.868 7.459 -0.718 1.00 0.00 C ATOM 979 CG LEU A 69 4.319 6.248 0.037 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.603 6.374 1.526 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.826 6.096 -0.212 1.00 0.00 C ATOM 0 H LEU A 69 3.406 8.320 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 69 3.450 8.705 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.940 7.201 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.882 7.652 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 69 4.821 5.354 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.205 5.503 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.679 6.433 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.128 7.276 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.453 5.229 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.307 6.991 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.647 5.959 -1.278 1.00 0.00 H new ATOM 993 N LEU A 70 4.847 10.713 0.597 1.00 0.00 N ATOM 994 CA LEU A 70 5.686 11.884 0.829 1.00 0.00 C ATOM 995 C LEU A 70 6.916 11.518 1.655 1.00 0.00 C ATOM 996 O LEU A 70 8.043 11.842 1.283 1.00 0.00 O ATOM 997 CB LEU A 70 4.887 12.977 1.540 1.00 0.00 C ATOM 998 CG LEU A 70 4.164 13.976 0.636 1.00 0.00 C ATOM 999 CD1 LEU A 70 3.347 13.247 -0.420 1.00 0.00 C ATOM 1000 CD2 LEU A 70 3.274 14.895 1.461 1.00 0.00 C ATOM 0 H LEU A 70 4.147 10.546 1.320 1.00 0.00 H new ATOM 0 HA LEU A 70 6.019 12.258 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.148 12.499 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.565 13.530 2.190 1.00 0.00 H new ATOM 0 HG LEU A 70 4.912 14.586 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.840 13.974 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.008 12.632 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.607 12.612 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.767 15.599 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.533 14.300 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.884 15.444 2.178 1.00 0.00 H new ATOM 1012 N GLU A 71 6.689 10.840 2.775 1.00 0.00 N ATOM 1013 CA GLU A 71 7.779 10.429 3.653 1.00 0.00 C ATOM 1014 C GLU A 71 7.379 9.214 4.484 1.00 0.00 C ATOM 1015 O GLU A 71 6.238 9.101 4.931 1.00 0.00 O ATOM 1016 CB GLU A 71 8.183 11.581 4.575 1.00 0.00 C ATOM 1017 CG GLU A 71 8.362 12.906 3.852 1.00 0.00 C ATOM 1018 CD GLU A 71 8.922 13.990 4.751 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.871 13.700 5.510 1.00 0.00 O ATOM 1020 OE2 GLU A 71 8.413 15.129 4.697 1.00 0.00 O ATOM 0 H GLU A 71 5.761 10.564 3.096 1.00 0.00 H new ATOM 0 HA GLU A 71 8.631 10.157 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.425 11.699 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.115 11.323 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.029 12.764 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.401 13.231 3.453 1.00 0.00 H new ATOM 1027 N VAL A 72 8.328 8.305 4.687 1.00 0.00 N ATOM 1028 CA VAL A 72 8.077 7.098 5.465 1.00 0.00 C ATOM 1029 C VAL A 72 8.903 7.088 6.746 1.00 0.00 C ATOM 1030 O VAL A 72 10.119 6.911 6.711 1.00 0.00 O ATOM 1031 CB VAL A 72 8.396 5.829 4.651 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.193 4.584 5.501 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.539 5.773 3.395 1.00 0.00 C ATOM 0 H VAL A 72 9.278 8.382 4.323 1.00 0.00 H new ATOM 0 HA VAL A 72 7.017 7.100 5.720 1.00 0.00 H new ATOM 0 HB VAL A 72 9.442 5.866 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.423 3.698 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.853 4.623 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.157 4.537 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.777 4.871 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.485 5.759 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.740 6.649 2.778 1.00 0.00 H new ATOM 1043 N ASN A 73 8.231 7.278 7.878 1.00 0.00 N ATOM 1044 CA ASN A 73 8.904 7.291 9.172 1.00 0.00 C ATOM 1045 C ASN A 73 9.846 8.485 9.284 1.00 0.00 C ATOM 1046 O ASN A 73 10.964 8.361 9.783 1.00 0.00 O ATOM 1047 CB ASN A 73 9.684 5.991 9.378 1.00 0.00 C ATOM 1048 CG ASN A 73 8.895 4.962 10.166 1.00 0.00 C ATOM 1049 OD1 ASN A 73 7.977 5.305 10.911 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.252 3.693 10.004 1.00 0.00 N ATOM 0 H ASN A 73 7.223 7.425 7.925 1.00 0.00 H new ATOM 0 HA ASN A 73 8.143 7.377 9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.952 5.574 8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.616 6.208 9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.759 2.956 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.019 3.455 9.376 1.00 0.00 H new ATOM 1057 N GLN A 74 9.386 9.641 8.815 1.00 0.00 N ATOM 1058 CA GLN A 74 10.188 10.858 8.863 1.00 0.00 C ATOM 1059 C GLN A 74 11.432 10.724 7.991 1.00 0.00 C ATOM 1060 O GLN A 74 12.468 11.325 8.276 1.00 0.00 O ATOM 1061 CB GLN A 74 10.592 11.172 10.304 1.00 0.00 C ATOM 1062 CG GLN A 74 9.427 11.599 11.183 1.00 0.00 C ATOM 1063 CD GLN A 74 9.678 11.333 12.654 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.467 12.027 13.296 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.005 10.325 13.197 1.00 0.00 N ATOM 0 H GLN A 74 8.463 9.760 8.398 1.00 0.00 H new ATOM 0 HA GLN A 74 9.582 11.678 8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.062 10.291 10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.341 11.964 10.298 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.237 12.662 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.527 11.069 10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.361 9.776 12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.132 10.100 14.184 1.00 0.00 H new ATOM 1074 N GLN A 75 11.323 9.931 6.930 1.00 0.00 N ATOM 1075 CA GLN A 75 12.441 9.718 6.018 1.00 0.00 C ATOM 1076 C GLN A 75 12.054 10.084 4.589 1.00 0.00 C ATOM 1077 O GLN A 75 11.573 9.242 3.831 1.00 0.00 O ATOM 1078 CB GLN A 75 12.904 8.261 6.077 1.00 0.00 C ATOM 1079 CG GLN A 75 13.274 7.797 7.476 1.00 0.00 C ATOM 1080 CD GLN A 75 14.316 6.696 7.469 1.00 0.00 C ATOM 1081 OE1 GLN A 75 14.955 6.436 6.449 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.493 6.040 8.611 1.00 0.00 N ATOM 0 H GLN A 75 10.473 9.426 6.681 1.00 0.00 H new ATOM 0 HA GLN A 75 13.261 10.365 6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.112 7.621 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.766 8.135 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.651 8.645 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.378 7.441 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.942 6.288 9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.180 5.288 8.666 1.00 0.00 H new ATOM 1091 N SER A 76 12.269 11.345 4.227 1.00 0.00 N ATOM 1092 CA SER A 76 11.939 11.823 2.890 1.00 0.00 C ATOM 1093 C SER A 76 12.364 10.810 1.830 1.00 0.00 C ATOM 1094 O SER A 76 13.496 10.324 1.838 1.00 0.00 O ATOM 1095 CB SER A 76 12.617 13.169 2.625 1.00 0.00 C ATOM 1096 OG SER A 76 12.355 13.622 1.308 1.00 0.00 O ATOM 0 H SER A 76 12.670 12.054 4.841 1.00 0.00 H new ATOM 0 HA SER A 76 10.858 11.951 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.261 13.907 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.693 13.073 2.773 1.00 0.00 H new ATOM 0 HG SER A 76 12.798 14.484 1.165 1.00 0.00 H new ATOM 1102 N LEU A 77 11.448 10.496 0.921 1.00 0.00 N ATOM 1103 CA LEU A 77 11.726 9.541 -0.146 1.00 0.00 C ATOM 1104 C LEU A 77 12.398 10.228 -1.331 1.00 0.00 C ATOM 1105 O LEU A 77 12.590 9.623 -2.386 1.00 0.00 O ATOM 1106 CB LEU A 77 10.432 8.865 -0.602 1.00 0.00 C ATOM 1107 CG LEU A 77 9.553 8.283 0.506 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.243 7.766 -0.069 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.289 7.173 1.242 1.00 0.00 C ATOM 0 H LEU A 77 10.507 10.888 0.901 1.00 0.00 H new ATOM 0 HA LEU A 77 12.406 8.785 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.843 9.592 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.689 8.063 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 77 9.326 9.076 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.630 7.356 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.709 8.585 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.450 6.987 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.649 6.770 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.546 6.379 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.200 7.573 1.687 1.00 0.00 H new ATOM 1121 N LEU A 78 12.757 11.494 -1.148 1.00 0.00 N ATOM 1122 CA LEU A 78 13.411 12.264 -2.201 1.00 0.00 C ATOM 1123 C LEU A 78 14.883 11.885 -2.317 1.00 0.00 C ATOM 1124 O LEU A 78 15.623 11.916 -1.334 1.00 0.00 O ATOM 1125 CB LEU A 78 13.278 13.762 -1.922 1.00 0.00 C ATOM 1126 CG LEU A 78 13.285 14.676 -3.148 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.432 14.312 -4.078 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.955 14.596 -3.881 1.00 0.00 C ATOM 0 H LEU A 78 12.606 12.009 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 78 12.920 12.032 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.350 13.928 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.094 14.063 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 78 13.429 15.703 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.421 14.973 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.379 14.423 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.319 13.279 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.979 15.253 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.780 13.570 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.152 14.907 -3.213 1.00 0.00 H new ATOM 1140 N GLY A 79 15.304 11.530 -3.528 1.00 0.00 N ATOM 1141 CA GLY A 79 16.688 11.152 -3.751 1.00 0.00 C ATOM 1142 C GLY A 79 16.859 9.657 -3.930 1.00 0.00 C ATOM 1143 O GLY A 79 17.693 9.210 -4.718 1.00 0.00 O ATOM 0 H GLY A 79 14.712 11.497 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.064 11.666 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.293 11.485 -2.908 1.00 0.00 H new ATOM 1147 N LEU A 80 16.070 8.881 -3.195 1.00 0.00 N ATOM 1148 CA LEU A 80 16.139 7.426 -3.274 1.00 0.00 C ATOM 1149 C LEU A 80 15.268 6.900 -4.411 1.00 0.00 C ATOM 1150 O LEU A 80 14.389 7.603 -4.910 1.00 0.00 O ATOM 1151 CB LEU A 80 15.699 6.802 -1.949 1.00 0.00 C ATOM 1152 CG LEU A 80 14.525 7.482 -1.244 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.780 6.487 -0.367 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.011 8.664 -0.418 1.00 0.00 C ATOM 0 H LEU A 80 15.375 9.235 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 80 17.173 7.147 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.434 5.761 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.552 6.799 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 80 13.836 7.853 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.948 6.989 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.399 5.673 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.459 6.085 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.162 9.136 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.721 8.316 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.499 9.388 -1.071 1.00 0.00 H new ATOM 1166 N THR A 81 15.517 5.658 -4.815 1.00 0.00 N ATOM 1167 CA THR A 81 14.756 5.038 -5.891 1.00 0.00 C ATOM 1168 C THR A 81 13.775 4.005 -5.347 1.00 0.00 C ATOM 1169 O THR A 81 13.853 3.614 -4.182 1.00 0.00 O ATOM 1170 CB THR A 81 15.683 4.358 -6.916 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.547 3.428 -6.254 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.517 5.391 -7.660 1.00 0.00 C ATOM 0 H THR A 81 16.240 5.062 -4.412 1.00 0.00 H new ATOM 0 HA THR A 81 14.202 5.836 -6.386 1.00 0.00 H new ATOM 0 HB THR A 81 15.062 3.827 -7.638 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.132 2.999 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.164 4.887 -8.378 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.857 6.080 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.128 5.946 -6.948 1.00 0.00 H new ATOM 1180 N HIS A 82 12.853 3.566 -6.197 1.00 0.00 N ATOM 1181 CA HIS A 82 11.857 2.576 -5.801 1.00 0.00 C ATOM 1182 C HIS A 82 12.440 1.594 -4.789 1.00 0.00 C ATOM 1183 O HIS A 82 12.014 1.550 -3.636 1.00 0.00 O ATOM 1184 CB HIS A 82 11.345 1.819 -7.026 1.00 0.00 C ATOM 1185 CG HIS A 82 9.955 1.286 -6.863 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.640 -0.050 -6.997 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.793 1.917 -6.571 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.345 -0.217 -6.798 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.808 0.961 -6.537 1.00 0.00 N ATOM 0 H HIS A 82 12.774 3.880 -7.164 1.00 0.00 H new ATOM 0 HA HIS A 82 11.024 3.101 -5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.372 2.483 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.020 0.990 -7.239 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.304 -0.793 -7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.665 2.975 -6.397 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.815 -1.157 -6.841 1.00 0.00 H new ATOM 1198 N GLY A 83 13.418 0.808 -5.229 1.00 0.00 N ATOM 1199 CA GLY A 83 14.042 -0.163 -4.350 1.00 0.00 C ATOM 1200 C GLY A 83 14.294 0.390 -2.961 1.00 0.00 C ATOM 1201 O GLY A 83 13.967 -0.250 -1.963 1.00 0.00 O ATOM 0 H GLY A 83 13.789 0.827 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.405 -1.044 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.987 -0.488 -4.785 1.00 0.00 H new ATOM 1205 N GLU A 84 14.877 1.583 -2.898 1.00 0.00 N ATOM 1206 CA GLU A 84 15.175 2.220 -1.621 1.00 0.00 C ATOM 1207 C GLU A 84 13.890 2.594 -0.887 1.00 0.00 C ATOM 1208 O GLU A 84 13.714 2.264 0.286 1.00 0.00 O ATOM 1209 CB GLU A 84 16.033 3.468 -1.836 1.00 0.00 C ATOM 1210 CG GLU A 84 17.525 3.183 -1.866 1.00 0.00 C ATOM 1211 CD GLU A 84 18.356 4.373 -1.427 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.595 4.513 -0.209 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.767 5.166 -2.301 1.00 0.00 O ATOM 0 H GLU A 84 15.152 2.127 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 84 15.729 1.508 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.743 3.941 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.824 4.184 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.742 2.334 -1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.816 2.895 -2.876 1.00 0.00 H new ATOM 1220 N ALA A 85 12.995 3.284 -1.586 1.00 0.00 N ATOM 1221 CA ALA A 85 11.727 3.702 -1.003 1.00 0.00 C ATOM 1222 C ALA A 85 10.997 2.521 -0.372 1.00 0.00 C ATOM 1223 O ALA A 85 10.644 2.554 0.807 1.00 0.00 O ATOM 1224 CB ALA A 85 10.852 4.362 -2.059 1.00 0.00 C ATOM 0 H ALA A 85 13.125 3.565 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 85 11.939 4.427 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.908 4.669 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.364 5.236 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.657 3.654 -2.864 1.00 0.00 H new ATOM 1230 N VAL A 86 10.774 1.477 -1.165 1.00 0.00 N ATOM 1231 CA VAL A 86 10.087 0.285 -0.683 1.00 0.00 C ATOM 1232 C VAL A 86 10.719 -0.232 0.604 1.00 0.00 C ATOM 1233 O VAL A 86 10.069 -0.283 1.648 1.00 0.00 O ATOM 1234 CB VAL A 86 10.106 -0.838 -1.738 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.490 -2.110 -1.174 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.378 -0.397 -2.998 1.00 0.00 C ATOM 0 H VAL A 86 11.059 1.433 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 86 9.054 0.573 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 86 11.143 -1.050 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.512 -2.892 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.058 -2.434 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.458 -1.916 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.401 -1.202 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.343 -0.157 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.867 0.485 -3.411 1.00 0.00 H new ATOM 1246 N GLN A 87 11.990 -0.612 0.522 1.00 0.00 N ATOM 1247 CA GLN A 87 12.710 -1.125 1.682 1.00 0.00 C ATOM 1248 C GLN A 87 12.549 -0.193 2.878 1.00 0.00 C ATOM 1249 O GLN A 87 12.668 -0.616 4.029 1.00 0.00 O ATOM 1250 CB GLN A 87 14.193 -1.299 1.352 1.00 0.00 C ATOM 1251 CG GLN A 87 14.461 -2.364 0.300 1.00 0.00 C ATOM 1252 CD GLN A 87 13.786 -3.683 0.619 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.271 -4.459 1.443 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.659 -3.944 -0.032 1.00 0.00 N ATOM 0 H GLN A 87 12.542 -0.574 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 87 12.287 -2.095 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.593 -0.347 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.732 -1.557 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.113 -2.007 -0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.536 -2.522 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.293 -3.273 -0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.159 -4.816 0.143 1.00 0.00 H new ATOM 1263 N LEU A 88 12.279 1.078 2.600 1.00 0.00 N ATOM 1264 CA LEU A 88 12.102 2.071 3.653 1.00 0.00 C ATOM 1265 C LEU A 88 10.753 1.898 4.344 1.00 0.00 C ATOM 1266 O LEU A 88 10.611 2.185 5.534 1.00 0.00 O ATOM 1267 CB LEU A 88 12.214 3.483 3.075 1.00 0.00 C ATOM 1268 CG LEU A 88 12.780 4.549 4.013 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.894 5.885 3.295 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.911 4.682 5.255 1.00 0.00 C ATOM 0 H LEU A 88 12.178 1.445 1.654 1.00 0.00 H new ATOM 0 HA LEU A 88 12.890 1.924 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.841 3.441 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.223 3.801 2.752 1.00 0.00 H new ATOM 0 HG LEU A 88 13.778 4.240 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.299 6.632 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.557 5.781 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.908 6.201 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.329 5.445 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.901 4.968 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.880 3.728 5.781 1.00 0.00 H new ATOM 1282 N LEU A 89 9.766 1.424 3.592 1.00 0.00 N ATOM 1283 CA LEU A 89 8.428 1.210 4.132 1.00 0.00 C ATOM 1284 C LEU A 89 8.369 -0.078 4.947 1.00 0.00 C ATOM 1285 O LEU A 89 7.579 -0.197 5.884 1.00 0.00 O ATOM 1286 CB LEU A 89 7.401 1.157 2.999 1.00 0.00 C ATOM 1287 CG LEU A 89 7.145 -0.222 2.390 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.100 -0.977 3.197 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.707 -0.090 0.938 1.00 0.00 C ATOM 0 H LEU A 89 9.867 1.181 2.607 1.00 0.00 H new ATOM 0 HA LEU A 89 8.191 2.046 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.455 1.548 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.730 1.827 2.205 1.00 0.00 H new ATOM 0 HG LEU A 89 8.075 -0.789 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.931 -1.956 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.452 -1.103 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.167 -0.414 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.529 -1.081 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.789 0.496 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.489 0.410 0.366 1.00 0.00 H new ATOM 1301 N ARG A 90 9.212 -1.040 4.585 1.00 0.00 N ATOM 1302 CA ARG A 90 9.257 -2.319 5.284 1.00 0.00 C ATOM 1303 C ARG A 90 10.317 -2.302 6.381 1.00 0.00 C ATOM 1304 O ARG A 90 10.525 -3.299 7.073 1.00 0.00 O ATOM 1305 CB ARG A 90 9.546 -3.453 4.298 1.00 0.00 C ATOM 1306 CG ARG A 90 10.736 -3.182 3.391 1.00 0.00 C ATOM 1307 CD ARG A 90 11.124 -4.420 2.598 1.00 0.00 C ATOM 1308 NE ARG A 90 10.134 -4.748 1.575 1.00 0.00 N ATOM 1309 CZ ARG A 90 10.012 -5.953 1.030 1.00 0.00 C ATOM 1310 NH1 ARG A 90 10.813 -6.940 1.408 1.00 0.00 N ATOM 1311 NH2 ARG A 90 9.087 -6.173 0.104 1.00 0.00 N ATOM 0 H ARG A 90 9.873 -0.958 3.812 1.00 0.00 H new ATOM 0 HA ARG A 90 8.284 -2.487 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.727 -4.371 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.662 -3.623 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.495 -2.370 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.584 -2.852 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.093 -4.259 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.237 -5.265 3.277 1.00 0.00 H new ATOM 0 HE ARG A 90 9.502 -4.011 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.525 -6.775 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.717 -7.864 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.469 -5.416 -0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.994 -7.099 -0.314 1.00 0.00 H new ATOM 1325 N SER A 91 10.985 -1.163 6.534 1.00 0.00 N ATOM 1326 CA SER A 91 12.026 -1.018 7.545 1.00 0.00 C ATOM 1327 C SER A 91 11.463 -0.402 8.821 1.00 0.00 C ATOM 1328 O SER A 91 12.162 0.312 9.541 1.00 0.00 O ATOM 1329 CB SER A 91 13.169 -0.153 7.009 1.00 0.00 C ATOM 1330 OG SER A 91 14.262 -0.136 7.911 1.00 0.00 O ATOM 0 H SER A 91 10.824 -0.328 5.971 1.00 0.00 H new ATOM 0 HA SER A 91 12.410 -2.011 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.497 -0.536 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.813 0.864 6.845 1.00 0.00 H new ATOM 0 HG SER A 91 13.953 0.154 8.795 1.00 0.00 H new ATOM 1336 N VAL A 92 10.193 -0.683 9.096 1.00 0.00 N ATOM 1337 CA VAL A 92 9.534 -0.158 10.286 1.00 0.00 C ATOM 1338 C VAL A 92 9.199 -1.276 11.267 1.00 0.00 C ATOM 1339 O VAL A 92 8.830 -2.379 10.866 1.00 0.00 O ATOM 1340 CB VAL A 92 8.241 0.597 9.924 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.363 -0.251 9.017 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.488 0.998 11.184 1.00 0.00 C ATOM 0 H VAL A 92 9.600 -1.271 8.511 1.00 0.00 H new ATOM 0 HA VAL A 92 10.232 0.536 10.755 1.00 0.00 H new ATOM 0 HB VAL A 92 8.510 1.505 9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.454 0.299 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.905 -0.484 8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.100 -1.177 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.577 1.530 10.910 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.229 0.105 11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.118 1.646 11.793 1.00 0.00 H new ATOM 1352 N GLY A 93 9.330 -0.982 12.557 1.00 0.00 N ATOM 1353 CA GLY A 93 9.038 -1.973 13.577 1.00 0.00 C ATOM 1354 C GLY A 93 7.603 -2.458 13.519 1.00 0.00 C ATOM 1355 O GLY A 93 7.254 -3.287 12.679 1.00 0.00 O ATOM 0 H GLY A 93 9.633 -0.076 12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.711 -2.822 13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.235 -1.547 14.561 1.00 0.00 H new ATOM 1359 N ASP A 94 6.769 -1.941 14.415 1.00 0.00 N ATOM 1360 CA ASP A 94 5.364 -2.327 14.463 1.00 0.00 C ATOM 1361 C ASP A 94 4.463 -1.144 14.120 1.00 0.00 C ATOM 1362 O ASP A 94 3.238 -1.264 14.112 1.00 0.00 O ATOM 1363 CB ASP A 94 5.009 -2.869 15.849 1.00 0.00 C ATOM 1364 CG ASP A 94 5.155 -1.821 16.935 1.00 0.00 C ATOM 1365 OD1 ASP A 94 6.119 -1.029 16.870 1.00 0.00 O ATOM 1366 OD2 ASP A 94 4.306 -1.793 17.850 1.00 0.00 O ATOM 0 H ASP A 94 7.042 -1.254 15.118 1.00 0.00 H new ATOM 0 HA ASP A 94 5.203 -3.110 13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.983 -3.238 15.840 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.652 -3.719 16.079 1.00 0.00 H new ATOM 1371 N THR A 95 5.079 0.000 13.839 1.00 0.00 N ATOM 1372 CA THR A 95 4.334 1.205 13.497 1.00 0.00 C ATOM 1373 C THR A 95 5.210 2.196 12.738 1.00 0.00 C ATOM 1374 O THR A 95 6.360 2.434 13.108 1.00 0.00 O ATOM 1375 CB THR A 95 3.772 1.894 14.755 1.00 0.00 C ATOM 1376 OG1 THR A 95 3.094 0.936 15.576 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.815 3.014 14.378 1.00 0.00 C ATOM 0 H THR A 95 6.092 0.117 13.842 1.00 0.00 H new ATOM 0 HA THR A 95 3.505 0.894 12.861 1.00 0.00 H new ATOM 0 HB THR A 95 4.606 2.323 15.310 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.747 0.212 15.015 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.432 3.485 15.283 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.342 3.756 13.778 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.985 2.605 13.802 1.00 0.00 H new ATOM 1385 N LEU A 96 4.658 2.772 11.675 1.00 0.00 N ATOM 1386 CA LEU A 96 5.389 3.739 10.863 1.00 0.00 C ATOM 1387 C LEU A 96 4.542 4.980 10.601 1.00 0.00 C ATOM 1388 O LEU A 96 3.313 4.932 10.666 1.00 0.00 O ATOM 1389 CB LEU A 96 5.811 3.105 9.537 1.00 0.00 C ATOM 1390 CG LEU A 96 4.877 3.346 8.351 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.619 3.151 7.038 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.670 2.421 8.425 1.00 0.00 C ATOM 0 H LEU A 96 3.707 2.586 11.356 1.00 0.00 H new ATOM 0 HA LEU A 96 6.280 4.040 11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.801 3.480 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.907 2.029 9.686 1.00 0.00 H new ATOM 0 HG LEU A 96 4.524 4.376 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.938 3.327 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.450 3.854 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.002 2.132 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.016 2.607 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.005 1.384 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.124 2.609 9.349 1.00 0.00 H new ATOM 1404 N THR A 97 5.207 6.091 10.301 1.00 0.00 N ATOM 1405 CA THR A 97 4.516 7.345 10.027 1.00 0.00 C ATOM 1406 C THR A 97 4.583 7.697 8.545 1.00 0.00 C ATOM 1407 O THR A 97 5.614 8.154 8.051 1.00 0.00 O ATOM 1408 CB THR A 97 5.112 8.505 10.846 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.284 8.104 12.210 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.213 9.731 10.782 1.00 0.00 C ATOM 0 H THR A 97 6.224 6.148 10.242 1.00 0.00 H new ATOM 0 HA THR A 97 3.475 7.202 10.317 1.00 0.00 H new ATOM 0 HB THR A 97 6.081 8.762 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.549 7.511 12.472 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.655 10.537 11.368 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.108 10.051 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.232 9.484 11.187 1.00 0.00 H new ATOM 1418 N VAL A 98 3.477 7.482 7.840 1.00 0.00 N ATOM 1419 CA VAL A 98 3.410 7.778 6.414 1.00 0.00 C ATOM 1420 C VAL A 98 2.777 9.143 6.166 1.00 0.00 C ATOM 1421 O VAL A 98 1.676 9.425 6.641 1.00 0.00 O ATOM 1422 CB VAL A 98 2.605 6.706 5.655 1.00 0.00 C ATOM 1423 CG1 VAL A 98 2.999 5.313 6.121 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.112 6.935 5.835 1.00 0.00 C ATOM 0 H VAL A 98 2.615 7.104 8.233 1.00 0.00 H new ATOM 0 HA VAL A 98 4.435 7.782 6.043 1.00 0.00 H new ATOM 0 HB VAL A 98 2.836 6.787 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.420 4.569 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.061 5.154 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.798 5.216 7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.558 6.169 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.861 6.882 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.845 7.918 5.447 1.00 0.00 H new ATOM 1434 N LEU A 99 3.480 9.988 5.419 1.00 0.00 N ATOM 1435 CA LEU A 99 2.987 11.325 5.106 1.00 0.00 C ATOM 1436 C LEU A 99 2.209 11.325 3.795 1.00 0.00 C ATOM 1437 O LEU A 99 2.170 12.330 3.084 1.00 0.00 O ATOM 1438 CB LEU A 99 4.152 12.312 5.022 1.00 0.00 C ATOM 1439 CG LEU A 99 3.774 13.791 4.936 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.824 14.165 6.064 1.00 0.00 C ATOM 1441 CD2 LEU A 99 5.020 14.664 4.975 1.00 0.00 C ATOM 0 H LEU A 99 4.393 9.771 5.019 1.00 0.00 H new ATOM 0 HA LEU A 99 2.314 11.634 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.786 12.170 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.753 12.060 4.148 1.00 0.00 H new ATOM 0 HG LEU A 99 3.265 13.961 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.566 15.221 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.918 13.564 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.307 13.979 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.731 15.713 4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.557 14.490 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.665 14.415 4.133 1.00 0.00 H new ATOM 1453 N VAL A 100 1.588 10.192 3.480 1.00 0.00 N ATOM 1454 CA VAL A 100 0.807 10.063 2.256 1.00 0.00 C ATOM 1455 C VAL A 100 -0.352 11.052 2.236 1.00 0.00 C ATOM 1456 O VAL A 100 -0.690 11.649 3.259 1.00 0.00 O ATOM 1457 CB VAL A 100 0.253 8.635 2.092 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.370 7.611 2.215 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.842 8.369 3.114 1.00 0.00 C ATOM 0 H VAL A 100 1.611 9.351 4.056 1.00 0.00 H new ATOM 0 HA VAL A 100 1.480 10.281 1.427 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.181 8.544 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.959 6.608 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.116 7.791 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.837 7.698 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.222 7.356 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.436 8.478 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.654 9.082 2.972 1.00 0.00 H new ATOM 1469 N CYS A 101 -0.959 11.221 1.066 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.082 12.139 0.913 1.00 0.00 C ATOM 1471 C CYS A 101 -2.830 11.869 -0.389 1.00 0.00 C ATOM 1472 O CYS A 101 -2.230 11.490 -1.395 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.592 13.587 0.943 1.00 0.00 C ATOM 1474 SG CYS A 101 -0.578 14.053 -0.480 1.00 0.00 S ATOM 0 H CYS A 101 -0.692 10.734 0.210 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.767 11.978 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.455 14.250 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.015 13.745 1.854 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.784 13.215 -1.452 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.144 12.066 -0.361 1.00 0.00 N ATOM 1481 CA ASP A 102 -4.975 11.844 -1.539 1.00 0.00 C ATOM 1482 C ASP A 102 -4.303 12.399 -2.791 1.00 0.00 C ATOM 1483 O ASP A 102 -4.024 13.593 -2.880 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.347 12.493 -1.351 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.444 11.755 -2.093 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -7.885 10.696 -1.599 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -7.862 12.237 -3.166 1.00 0.00 O ATOM 0 H ASP A 102 -4.656 12.379 0.464 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.104 10.769 -1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.588 12.524 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.308 13.525 -1.699 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.045 11.521 -3.756 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.407 11.942 -4.989 1.00 0.00 C ATOM 1494 C GLY A 103 -4.330 11.833 -6.187 1.00 0.00 C ATOM 1495 O GLY A 103 -4.290 12.669 -7.089 1.00 0.00 O ATOM 0 H GLY A 103 -4.266 10.527 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.071 12.974 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.520 11.333 -5.161 1.00 0.00 H new