USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ -162:sc= 0.645 (180deg=0.463) USER MOD Set 1.2: A 88 THR OG1 : rot -119:sc= 1.24 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 1.06 K(o=2.4,f=-5.3!) USER MOD Set 2.2: B 208 THR OG1 : rot 117:sc= 1.31 USER MOD Single : A 13 THR OG1 : rot -24:sc= 0.252 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 28:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -42:sc= 0.0413 USER MOD Single : A 60 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 72 SER OG : rot 167:sc= 1.24 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.775 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 87 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.14) USER MOD Single : A 90 GLN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.79 X(o=-0.79,f=-0.32) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.033 -7.745 -5.926 1.00 0.00 N ATOM 74 CA THR A 13 -6.112 -6.651 -5.888 1.00 0.00 C ATOM 75 C THR A 13 -6.803 -5.358 -6.156 1.00 0.00 C ATOM 76 O THR A 13 -7.487 -5.186 -7.164 1.00 0.00 O ATOM 77 CB THR A 13 -4.956 -6.779 -6.836 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.338 -7.381 -8.065 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.900 -7.687 -6.186 1.00 0.00 C ATOM 0 HA THR A 13 -5.705 -6.672 -4.877 1.00 0.00 H new ATOM 0 HB THR A 13 -4.577 -5.778 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.145 -7.920 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.049 -7.795 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.567 -7.244 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.334 -8.668 -5.990 1.00 0.00 H new ATOM 87 N PHE A 14 -6.634 -4.380 -5.248 1.00 0.00 N ATOM 88 CA PHE A 14 -7.193 -3.067 -5.330 1.00 0.00 C ATOM 89 C PHE A 14 -6.085 -2.082 -5.491 1.00 0.00 C ATOM 90 O PHE A 14 -5.170 -2.011 -4.673 1.00 0.00 O ATOM 91 CB PHE A 14 -8.170 -2.638 -4.223 1.00 0.00 C ATOM 92 CG PHE A 14 -7.893 -2.996 -2.803 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.685 -4.294 -2.397 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.994 -2.029 -1.832 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.507 -4.612 -1.071 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.768 -2.323 -0.507 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.534 -3.620 -0.119 1.00 0.00 C ATOM 0 H PHE A 14 -6.073 -4.515 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.844 -3.094 -6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.259 -1.553 -4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.147 -3.049 -4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.661 -5.081 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.256 -1.020 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.346 -5.639 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.775 -1.533 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.373 -3.858 0.922 1.00 0.00 H new ATOM 107 N GLU A 15 -6.116 -1.298 -6.584 1.00 0.00 N ATOM 108 CA GLU A 15 -5.148 -0.300 -6.918 1.00 0.00 C ATOM 109 C GLU A 15 -5.640 1.067 -6.585 1.00 0.00 C ATOM 110 O GLU A 15 -6.068 1.851 -7.429 1.00 0.00 O ATOM 111 CB GLU A 15 -4.835 -0.437 -8.417 1.00 0.00 C ATOM 112 CG GLU A 15 -3.439 0.119 -8.711 1.00 0.00 C ATOM 113 CD GLU A 15 -3.048 0.077 -10.181 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.858 -0.365 -11.039 1.00 0.00 O ATOM 115 OE2 GLU A 15 -1.890 0.476 -10.478 1.00 0.00 O ATOM 0 H GLU A 15 -6.863 -1.366 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.240 -0.447 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.889 -1.484 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.581 0.100 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.390 1.151 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.706 -0.446 -8.135 1.00 0.00 H new ATOM 122 N VAL A 16 -5.641 1.407 -5.284 1.00 0.00 N ATOM 123 CA VAL A 16 -6.265 2.586 -4.770 1.00 0.00 C ATOM 124 C VAL A 16 -5.429 3.818 -4.841 1.00 0.00 C ATOM 125 O VAL A 16 -4.356 3.869 -4.243 1.00 0.00 O ATOM 126 CB VAL A 16 -6.621 2.397 -3.324 1.00 0.00 C ATOM 127 CG1 VAL A 16 -7.753 3.385 -2.995 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.064 0.945 -3.077 1.00 0.00 C ATOM 0 H VAL A 16 -5.191 0.841 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.137 2.728 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.762 2.589 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.039 3.276 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.410 4.404 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.614 3.176 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.320 0.817 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.935 0.721 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.251 0.267 -3.337 1.00 0.00 H new ATOM 138 N GLU A 17 -5.871 4.896 -5.513 1.00 0.00 N ATOM 139 CA GLU A 17 -5.157 6.136 -5.530 1.00 0.00 C ATOM 140 C GLU A 17 -5.693 7.084 -4.513 1.00 0.00 C ATOM 141 O GLU A 17 -6.874 7.422 -4.476 1.00 0.00 O ATOM 142 CB GLU A 17 -5.046 6.716 -6.950 1.00 0.00 C ATOM 143 CG GLU A 17 -5.442 8.177 -7.169 1.00 0.00 C ATOM 144 CD GLU A 17 -5.395 8.581 -8.636 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.185 8.038 -9.454 1.00 0.00 O ATOM 146 OE2 GLU A 17 -4.609 9.498 -8.995 1.00 0.00 O ATOM 0 H GLU A 17 -6.737 4.908 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.127 5.944 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.013 6.599 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.661 6.103 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.448 8.339 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.774 8.821 -6.597 1.00 0.00 H new ATOM 153 N LEU A 18 -4.812 7.530 -3.600 1.00 0.00 N ATOM 154 CA LEU A 18 -5.105 8.517 -2.609 1.00 0.00 C ATOM 155 C LEU A 18 -3.877 9.326 -2.367 1.00 0.00 C ATOM 156 O LEU A 18 -2.792 9.015 -2.856 1.00 0.00 O ATOM 157 CB LEU A 18 -5.641 7.950 -1.283 1.00 0.00 C ATOM 158 CG LEU A 18 -4.994 6.655 -0.763 1.00 0.00 C ATOM 159 CD1 LEU A 18 -5.014 6.631 0.774 1.00 0.00 C ATOM 160 CD2 LEU A 18 -5.750 5.413 -1.266 1.00 0.00 C ATOM 0 H LEU A 18 -3.853 7.187 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.915 9.131 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.527 8.717 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.710 7.771 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.969 6.634 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.553 5.709 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.458 7.486 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.045 6.680 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.269 4.514 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.782 5.449 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.735 5.395 -2.356 1.00 0.00 H new ATOM 172 N ALA A 19 -4.014 10.427 -1.607 1.00 0.00 N ATOM 173 CA ALA A 19 -2.946 11.320 -1.277 1.00 0.00 C ATOM 174 C ALA A 19 -2.731 11.315 0.198 1.00 0.00 C ATOM 175 O ALA A 19 -3.676 11.389 0.982 1.00 0.00 O ATOM 176 CB ALA A 19 -3.254 12.738 -1.785 1.00 0.00 C ATOM 0 H ALA A 19 -4.908 10.707 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.031 10.984 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.431 13.404 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.377 12.718 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.173 13.099 -1.322 1.00 0.00 H new ATOM 182 N LYS A 20 -1.467 11.210 0.645 1.00 0.00 N ATOM 183 CA LYS A 20 -1.138 11.089 2.031 1.00 0.00 C ATOM 184 C LYS A 20 -1.250 12.398 2.733 1.00 0.00 C ATOM 185 O LYS A 20 -1.122 13.466 2.136 1.00 0.00 O ATOM 186 CB LYS A 20 0.244 10.473 2.308 1.00 0.00 C ATOM 187 CG LYS A 20 0.953 9.807 1.126 1.00 0.00 C ATOM 188 CD LYS A 20 2.043 10.661 0.474 1.00 0.00 C ATOM 189 CE LYS A 20 3.373 10.547 1.220 1.00 0.00 C ATOM 190 NZ LYS A 20 4.469 11.288 0.554 1.00 0.00 N ATOM 0 H LYS A 20 -0.654 11.209 0.028 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.875 10.390 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.894 11.258 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.133 9.731 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.397 8.872 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.210 9.551 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.179 10.349 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.725 11.703 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.249 10.925 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.649 9.496 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.385 10.943 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.415 11.139 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.378 12.303 0.762 1.00 0.00 H new ATOM 204 N THR A 21 -1.480 12.372 4.058 1.00 0.00 N ATOM 205 CA THR A 21 -1.581 13.548 4.865 1.00 0.00 C ATOM 206 C THR A 21 -0.296 13.752 5.590 1.00 0.00 C ATOM 207 O THR A 21 0.019 13.087 6.576 1.00 0.00 O ATOM 208 CB THR A 21 -2.817 13.574 5.715 1.00 0.00 C ATOM 209 OG1 THR A 21 -2.986 14.818 6.376 1.00 0.00 O ATOM 210 CG2 THR A 21 -2.895 12.450 6.762 1.00 0.00 C ATOM 0 H THR A 21 -1.599 11.506 4.584 1.00 0.00 H new ATOM 0 HA THR A 21 -1.724 14.420 4.227 1.00 0.00 H new ATOM 0 HB THR A 21 -3.624 13.415 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.803 14.793 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.820 12.546 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.877 11.483 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.044 12.524 7.439 1.00 0.00 H new ATOM 218 N ASP A 22 0.548 14.660 5.070 1.00 0.00 N ATOM 219 CA ASP A 22 1.891 14.956 5.463 1.00 0.00 C ATOM 220 C ASP A 22 2.748 13.808 5.873 1.00 0.00 C ATOM 221 O ASP A 22 3.267 13.736 6.987 1.00 0.00 O ATOM 222 CB ASP A 22 1.922 16.153 6.427 1.00 0.00 C ATOM 223 CG ASP A 22 1.804 17.450 5.640 1.00 0.00 C ATOM 224 OD1 ASP A 22 0.669 17.891 5.314 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.873 18.021 5.297 1.00 0.00 O ATOM 0 H ASP A 22 0.255 15.249 4.290 1.00 0.00 H new ATOM 0 HA ASP A 22 2.396 15.248 4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.105 16.076 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.850 16.147 6.999 1.00 0.00 H new ATOM 230 N GLY A 23 2.955 12.852 4.950 1.00 0.00 N ATOM 231 CA GLY A 23 3.765 11.691 5.153 1.00 0.00 C ATOM 232 C GLY A 23 3.128 10.642 5.998 1.00 0.00 C ATOM 233 O GLY A 23 3.702 10.225 7.003 1.00 0.00 O ATOM 0 H GLY A 23 2.539 12.890 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.012 11.260 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.704 11.994 5.616 1.00 0.00 H new ATOM 237 N SER A 24 1.917 10.191 5.626 1.00 0.00 N ATOM 238 CA SER A 24 1.092 9.311 6.395 1.00 0.00 C ATOM 239 C SER A 24 -0.161 9.087 5.621 1.00 0.00 C ATOM 240 O SER A 24 -1.004 9.964 5.444 1.00 0.00 O ATOM 241 CB SER A 24 0.661 9.821 7.780 1.00 0.00 C ATOM 242 OG SER A 24 1.726 9.701 8.712 1.00 0.00 O ATOM 0 H SER A 24 1.490 10.456 4.738 1.00 0.00 H new ATOM 0 HA SER A 24 1.699 8.423 6.569 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.349 10.863 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.201 9.253 8.130 1.00 0.00 H new ATOM 0 HG SER A 24 2.582 9.753 8.239 1.00 0.00 H new ATOM 248 N LEU A 25 -0.319 7.856 5.101 1.00 0.00 N ATOM 249 CA LEU A 25 -1.536 7.321 4.575 1.00 0.00 C ATOM 250 C LEU A 25 -2.375 6.953 5.749 1.00 0.00 C ATOM 251 O LEU A 25 -3.567 7.245 5.832 1.00 0.00 O ATOM 252 CB LEU A 25 -1.227 6.023 3.809 1.00 0.00 C ATOM 253 CG LEU A 25 -0.115 6.151 2.754 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.608 4.805 2.579 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.635 6.736 1.430 1.00 0.00 C ATOM 0 H LEU A 25 0.454 7.193 5.045 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.025 8.038 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.943 5.253 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.138 5.681 3.318 1.00 0.00 H new ATOM 0 HG LEU A 25 0.621 6.871 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.393 4.908 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.050 4.503 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.106 4.048 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.186 6.807 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.412 6.087 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.048 7.729 1.608 1.00 0.00 H new ATOM 267 N GLY A 26 -1.721 6.300 6.726 1.00 0.00 N ATOM 268 CA GLY A 26 -2.287 5.943 7.990 1.00 0.00 C ATOM 269 C GLY A 26 -2.380 4.462 8.128 1.00 0.00 C ATOM 270 O GLY A 26 -3.402 3.931 8.559 1.00 0.00 O ATOM 0 H GLY A 26 -0.749 6.006 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.676 6.350 8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.279 6.385 8.088 1.00 0.00 H new ATOM 274 N ILE A 27 -1.288 3.764 7.770 1.00 0.00 N ATOM 275 CA ILE A 27 -1.157 2.371 8.065 1.00 0.00 C ATOM 276 C ILE A 27 0.078 2.112 8.858 1.00 0.00 C ATOM 277 O ILE A 27 1.143 2.666 8.590 1.00 0.00 O ATOM 278 CB ILE A 27 -1.216 1.526 6.828 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.201 1.979 5.766 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.672 1.605 6.338 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.027 0.975 4.628 1.00 0.00 C ATOM 0 H ILE A 27 -0.493 4.166 7.274 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.011 2.081 8.676 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.936 0.494 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.522 2.935 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.764 2.146 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.784 1.007 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.337 1.222 7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.927 2.642 6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.703 1.357 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.323 0.025 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.983 0.826 4.125 1.00 0.00 H new ATOM 293 N SER A 28 -0.060 1.254 9.885 1.00 0.00 N ATOM 294 CA SER A 28 1.003 0.655 10.631 1.00 0.00 C ATOM 295 C SER A 28 1.606 -0.511 9.926 1.00 0.00 C ATOM 296 O SER A 28 0.986 -1.567 9.816 1.00 0.00 O ATOM 297 CB SER A 28 0.543 0.049 11.967 1.00 0.00 C ATOM 298 OG SER A 28 0.112 1.078 12.846 1.00 0.00 O ATOM 0 H SER A 28 -0.979 0.959 10.216 1.00 0.00 H new ATOM 0 HA SER A 28 1.699 1.482 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.269 -0.657 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.360 -0.510 12.422 1.00 0.00 H new ATOM 0 HG SER A 28 -0.181 0.683 13.694 1.00 0.00 H new ATOM 304 N VAL A 29 2.856 -0.389 9.445 1.00 0.00 N ATOM 305 CA VAL A 29 3.449 -1.397 8.622 1.00 0.00 C ATOM 306 C VAL A 29 4.176 -2.482 9.338 1.00 0.00 C ATOM 307 O VAL A 29 5.086 -2.257 10.135 1.00 0.00 O ATOM 308 CB VAL A 29 4.219 -0.764 7.501 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.250 0.177 6.767 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.465 -0.001 7.983 1.00 0.00 C ATOM 0 H VAL A 29 3.459 0.413 9.628 1.00 0.00 H new ATOM 0 HA VAL A 29 2.622 -1.958 8.187 1.00 0.00 H new ATOM 0 HB VAL A 29 4.598 -1.543 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.769 0.661 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.408 -0.397 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.884 0.935 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.979 0.434 7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.164 0.793 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.136 -0.688 8.498 1.00 0.00 H new ATOM 320 N THR A 30 3.776 -3.744 9.098 1.00 0.00 N ATOM 321 CA THR A 30 4.354 -4.952 9.599 1.00 0.00 C ATOM 322 C THR A 30 4.775 -5.823 8.466 1.00 0.00 C ATOM 323 O THR A 30 4.477 -5.574 7.299 1.00 0.00 O ATOM 324 CB THR A 30 3.471 -5.709 10.546 1.00 0.00 C ATOM 325 OG1 THR A 30 4.069 -6.845 11.154 1.00 0.00 O ATOM 326 CG2 THR A 30 2.183 -6.196 9.863 1.00 0.00 C ATOM 0 H THR A 30 2.974 -3.933 8.497 1.00 0.00 H new ATOM 0 HA THR A 30 5.223 -4.653 10.185 1.00 0.00 H new ATOM 0 HB THR A 30 3.265 -4.974 11.324 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.423 -7.273 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.572 -6.739 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.624 -5.339 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.438 -6.855 9.033 1.00 0.00 H new ATOM 334 N GLY A 31 5.503 -6.912 8.774 1.00 0.00 N ATOM 335 CA GLY A 31 5.982 -7.877 7.834 1.00 0.00 C ATOM 336 C GLY A 31 7.294 -7.495 7.239 1.00 0.00 C ATOM 337 O GLY A 31 8.246 -7.153 7.938 1.00 0.00 O ATOM 0 H GLY A 31 5.772 -7.130 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.079 -8.843 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.248 -7.999 7.038 1.00 0.00 H new ATOM 341 N GLY A 32 7.386 -7.566 5.899 1.00 0.00 N ATOM 342 CA GLY A 32 8.566 -7.251 5.155 1.00 0.00 C ATOM 343 C GLY A 32 9.465 -8.432 5.012 1.00 0.00 C ATOM 344 O GLY A 32 9.297 -9.456 5.672 1.00 0.00 O ATOM 0 H GLY A 32 6.605 -7.855 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.286 -6.886 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.104 -6.443 5.652 1.00 0.00 H new ATOM 348 N VAL A 33 10.480 -8.308 4.138 1.00 0.00 N ATOM 349 CA VAL A 33 11.362 -9.351 3.716 1.00 0.00 C ATOM 350 C VAL A 33 12.259 -9.886 4.779 1.00 0.00 C ATOM 351 O VAL A 33 12.855 -10.953 4.640 1.00 0.00 O ATOM 352 CB VAL A 33 12.134 -8.905 2.509 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.342 -8.025 2.875 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.561 -10.112 1.656 1.00 0.00 C ATOM 0 H VAL A 33 10.698 -7.415 3.696 1.00 0.00 H new ATOM 0 HA VAL A 33 10.728 -10.199 3.457 1.00 0.00 H new ATOM 0 HB VAL A 33 11.465 -8.283 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.866 -7.730 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.997 -7.135 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.020 -8.587 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.119 -9.764 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.191 -10.773 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.676 -10.655 1.325 1.00 0.00 H new ATOM 467 N GLY A 41 6.943 -8.118 0.553 1.00 0.00 N ATOM 468 CA GLY A 41 5.730 -7.366 0.649 1.00 0.00 C ATOM 469 C GLY A 41 5.634 -6.786 2.018 1.00 0.00 C ATOM 470 O GLY A 41 6.191 -7.353 2.957 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.717 -6.573 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.871 -8.007 0.449 1.00 0.00 H new ATOM 474 N ILE A 42 4.930 -5.653 2.189 1.00 0.00 N ATOM 475 CA ILE A 42 4.679 -5.089 3.480 1.00 0.00 C ATOM 476 C ILE A 42 3.225 -5.265 3.756 1.00 0.00 C ATOM 477 O ILE A 42 2.442 -5.510 2.840 1.00 0.00 O ATOM 478 CB ILE A 42 5.202 -3.695 3.666 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.557 -3.387 5.131 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.257 -2.576 3.196 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.805 -4.104 5.644 1.00 0.00 C ATOM 0 H ILE A 42 4.528 -5.119 1.418 1.00 0.00 H new ATOM 0 HA ILE A 42 5.255 -5.621 4.237 1.00 0.00 H new ATOM 0 HB ILE A 42 6.089 -3.693 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.701 -2.312 5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.711 -3.660 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.724 -1.607 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.056 -2.693 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.321 -2.634 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.981 -3.829 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.660 -5.182 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.665 -3.813 5.041 1.00 0.00 H new ATOM 493 N TYR A 43 2.789 -5.251 5.028 1.00 0.00 N ATOM 494 CA TYR A 43 1.458 -5.634 5.389 1.00 0.00 C ATOM 495 C TYR A 43 0.951 -4.654 6.391 1.00 0.00 C ATOM 496 O TYR A 43 1.721 -4.053 7.139 1.00 0.00 O ATOM 497 CB TYR A 43 1.447 -7.007 6.080 1.00 0.00 C ATOM 498 CG TYR A 43 1.814 -8.130 5.171 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.109 -8.327 4.754 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.841 -9.012 4.764 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.408 -9.331 3.863 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.148 -10.068 3.937 1.00 0.00 C ATOM 503 CZ TYR A 43 2.434 -10.220 3.474 1.00 0.00 C ATOM 504 OH TYR A 43 2.778 -11.266 2.593 1.00 0.00 O ATOM 0 H TYR A 43 3.369 -4.970 5.819 1.00 0.00 H new ATOM 0 HA TYR A 43 0.852 -5.667 4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.141 -6.988 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.454 -7.191 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.896 -7.689 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.177 -8.874 5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.409 -9.421 3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.382 -10.775 3.653 1.00 0.00 H new ATOM 0 HH TYR A 43 1.986 -11.813 2.410 1.00 0.00 H new ATOM 514 N VAL A 44 -0.376 -4.452 6.475 1.00 0.00 N ATOM 515 CA VAL A 44 -0.955 -3.552 7.424 1.00 0.00 C ATOM 516 C VAL A 44 -1.299 -4.233 8.704 1.00 0.00 C ATOM 517 O VAL A 44 -2.139 -5.131 8.748 1.00 0.00 O ATOM 518 CB VAL A 44 -2.188 -2.905 6.868 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.592 -1.766 7.820 1.00 0.00 C ATOM 520 CG2 VAL A 44 -1.909 -2.362 5.456 1.00 0.00 C ATOM 0 H VAL A 44 -1.057 -4.920 5.876 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.202 -2.791 7.628 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.999 -3.629 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.488 -1.275 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.793 -2.174 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.781 -1.041 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.811 -1.894 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.108 -1.624 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.610 -3.182 4.803 1.00 0.00 H new ATOM 530 N LYS A 45 -0.676 -3.816 9.821 1.00 0.00 N ATOM 531 CA LYS A 45 -0.932 -4.339 11.128 1.00 0.00 C ATOM 532 C LYS A 45 -2.137 -3.725 11.751 1.00 0.00 C ATOM 533 O LYS A 45 -2.863 -4.350 12.523 1.00 0.00 O ATOM 534 CB LYS A 45 0.261 -4.055 12.056 1.00 0.00 C ATOM 535 CG LYS A 45 0.219 -4.757 13.414 1.00 0.00 C ATOM 536 CD LYS A 45 0.367 -6.278 13.346 1.00 0.00 C ATOM 537 CE LYS A 45 -0.010 -6.958 14.663 1.00 0.00 C ATOM 538 NZ LYS A 45 0.345 -8.396 14.655 1.00 0.00 N ATOM 0 H LYS A 45 0.035 -3.085 9.813 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.094 -5.410 11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.177 -4.349 11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.321 -2.980 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.014 -4.355 14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.725 -4.518 13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.263 -6.667 12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.397 -6.529 13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.500 -6.461 15.489 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.080 -6.848 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.075 -8.825 15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.161 -8.874 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.370 -8.500 14.514 1.00 0.00 H new ATOM 552 N ALA A 46 -2.372 -2.434 11.455 1.00 0.00 N ATOM 553 CA ALA A 46 -3.464 -1.699 12.013 1.00 0.00 C ATOM 554 C ALA A 46 -3.786 -0.535 11.141 1.00 0.00 C ATOM 555 O ALA A 46 -2.913 0.071 10.519 1.00 0.00 O ATOM 556 CB ALA A 46 -3.138 -1.200 13.432 1.00 0.00 C ATOM 0 H ALA A 46 -1.792 -1.890 10.816 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.323 -2.368 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.989 -0.645 13.827 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.929 -2.052 14.078 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.265 -0.548 13.397 1.00 0.00 H new ATOM 562 N ILE A 47 -5.087 -0.199 11.085 1.00 0.00 N ATOM 563 CA ILE A 47 -5.615 0.950 10.418 1.00 0.00 C ATOM 564 C ILE A 47 -5.871 1.962 11.480 1.00 0.00 C ATOM 565 O ILE A 47 -6.589 1.721 12.449 1.00 0.00 O ATOM 566 CB ILE A 47 -6.878 0.650 9.664 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.698 -0.529 8.692 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.384 1.902 8.930 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.607 -0.295 7.648 1.00 0.00 C ATOM 0 H ILE A 47 -5.811 -0.762 11.531 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.905 1.307 9.671 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.633 0.352 10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.458 -1.427 9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.643 -0.718 8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.300 1.662 8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.586 2.692 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.626 2.242 8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.534 -1.166 6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.855 0.584 7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.652 -0.136 8.149 1.00 0.00 H new ATOM 581 N ILE A 48 -5.246 3.149 11.370 1.00 0.00 N ATOM 582 CA ILE A 48 -5.381 4.134 12.397 1.00 0.00 C ATOM 583 C ILE A 48 -6.678 4.865 12.321 1.00 0.00 C ATOM 584 O ILE A 48 -7.189 5.066 11.221 1.00 0.00 O ATOM 585 CB ILE A 48 -4.274 5.145 12.413 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.220 5.979 11.122 1.00 0.00 C ATOM 587 CG2 ILE A 48 -2.975 4.396 12.756 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.016 6.917 11.042 1.00 0.00 C ATOM 0 H ILE A 48 -4.657 3.423 10.584 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.336 3.556 13.320 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.447 5.901 13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.201 5.305 10.266 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.134 6.568 11.043 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.144 5.101 12.777 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.075 3.923 13.733 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.785 3.633 12.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.048 7.471 10.104 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.044 7.617 11.877 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.096 6.333 11.088 1.00 0.00 H new ATOM 643 N ALA A 52 -5.912 8.632 5.871 1.00 0.00 N ATOM 644 CA ALA A 52 -6.396 8.674 4.526 1.00 0.00 C ATOM 645 C ALA A 52 -6.669 7.309 3.991 1.00 0.00 C ATOM 646 O ALA A 52 -7.529 7.115 3.134 1.00 0.00 O ATOM 647 CB ALA A 52 -5.253 9.330 3.733 1.00 0.00 C ATOM 0 HA ALA A 52 -7.338 9.217 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.535 9.405 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.061 10.327 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.352 8.723 3.824 1.00 0.00 H new ATOM 653 N ALA A 53 -5.941 6.299 4.499 1.00 0.00 N ATOM 654 CA ALA A 53 -6.000 4.931 4.086 1.00 0.00 C ATOM 655 C ALA A 53 -7.263 4.244 4.475 1.00 0.00 C ATOM 656 O ALA A 53 -7.883 3.559 3.663 1.00 0.00 O ATOM 657 CB ALA A 53 -4.758 4.227 4.658 1.00 0.00 C ATOM 0 H ALA A 53 -5.266 6.449 5.249 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.001 4.887 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.767 3.178 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.858 4.705 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.768 4.299 5.746 1.00 0.00 H new ATOM 663 N GLU A 54 -7.768 4.470 5.701 1.00 0.00 N ATOM 664 CA GLU A 54 -9.098 4.126 6.100 1.00 0.00 C ATOM 665 C GLU A 54 -10.149 4.681 5.200 1.00 0.00 C ATOM 666 O GLU A 54 -11.178 4.071 4.918 1.00 0.00 O ATOM 667 CB GLU A 54 -9.391 4.684 7.502 1.00 0.00 C ATOM 668 CG GLU A 54 -10.799 4.360 8.009 1.00 0.00 C ATOM 669 CD GLU A 54 -11.168 5.073 9.300 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.024 6.323 9.372 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.687 4.380 10.216 1.00 0.00 O ATOM 0 H GLU A 54 -7.227 4.911 6.445 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.136 3.037 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.660 4.283 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.259 5.766 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.522 4.627 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.880 3.284 8.164 1.00 0.00 H new ATOM 678 N SER A 55 -9.894 5.904 4.700 1.00 0.00 N ATOM 679 CA SER A 55 -10.786 6.624 3.845 1.00 0.00 C ATOM 680 C SER A 55 -10.840 6.139 2.437 1.00 0.00 C ATOM 681 O SER A 55 -11.607 6.661 1.629 1.00 0.00 O ATOM 682 CB SER A 55 -10.482 8.131 3.901 1.00 0.00 C ATOM 683 OG SER A 55 -11.617 8.929 3.599 1.00 0.00 O ATOM 0 H SER A 55 -9.032 6.411 4.900 1.00 0.00 H new ATOM 0 HA SER A 55 -11.784 6.433 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.117 8.387 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.682 8.363 3.198 1.00 0.00 H new ATOM 0 HG SER A 55 -12.096 8.541 2.837 1.00 0.00 H new ATOM 689 N ASP A 56 -10.119 5.067 2.063 1.00 0.00 N ATOM 690 CA ASP A 56 -10.494 4.228 0.967 1.00 0.00 C ATOM 691 C ASP A 56 -11.717 3.476 1.363 1.00 0.00 C ATOM 692 O ASP A 56 -12.846 3.881 1.090 1.00 0.00 O ATOM 693 CB ASP A 56 -9.309 3.311 0.620 1.00 0.00 C ATOM 694 CG ASP A 56 -9.672 2.156 -0.302 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.403 2.372 -1.306 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.278 1.011 0.050 1.00 0.00 O ATOM 0 H ASP A 56 -9.260 4.777 2.530 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.729 4.800 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.527 3.907 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.891 2.909 1.543 1.00 0.00 H new ATOM 701 N GLY A 57 -11.518 2.347 2.065 1.00 0.00 N ATOM 702 CA GLY A 57 -12.586 1.628 2.687 1.00 0.00 C ATOM 703 C GLY A 57 -12.322 0.161 2.710 1.00 0.00 C ATOM 704 O GLY A 57 -12.808 -0.564 3.578 1.00 0.00 O ATOM 0 H GLY A 57 -10.599 1.926 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.723 1.989 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.516 1.822 2.152 1.00 0.00 H new ATOM 708 N ARG A 58 -11.546 -0.338 1.732 1.00 0.00 N ATOM 709 CA ARG A 58 -11.311 -1.736 1.543 1.00 0.00 C ATOM 710 C ARG A 58 -10.255 -2.302 2.428 1.00 0.00 C ATOM 711 O ARG A 58 -10.303 -3.490 2.746 1.00 0.00 O ATOM 712 CB ARG A 58 -10.935 -1.944 0.066 1.00 0.00 C ATOM 713 CG ARG A 58 -12.049 -1.561 -0.909 1.00 0.00 C ATOM 714 CD ARG A 58 -11.520 -0.927 -2.197 1.00 0.00 C ATOM 715 NE ARG A 58 -12.728 -0.528 -2.972 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.427 0.619 -2.728 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.930 1.657 -1.993 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.687 0.727 -3.240 1.00 0.00 N ATOM 0 H ARG A 58 -11.066 0.250 1.050 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.222 -2.270 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.047 -1.354 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.671 -2.990 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.628 -2.450 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.730 -0.864 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.891 -0.064 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.909 -1.633 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.048 -1.141 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.993 1.598 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.496 2.492 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.082 -0.037 -3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.234 1.572 -3.075 1.00 0.00 H new ATOM 732 N ILE A 59 -9.270 -1.501 2.870 1.00 0.00 N ATOM 733 CA ILE A 59 -8.229 -1.928 3.752 1.00 0.00 C ATOM 734 C ILE A 59 -8.714 -2.273 5.118 1.00 0.00 C ATOM 735 O ILE A 59 -9.466 -1.522 5.737 1.00 0.00 O ATOM 736 CB ILE A 59 -7.124 -0.928 3.930 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.882 -0.027 2.708 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.843 -1.709 4.270 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.773 0.987 2.984 1.00 0.00 C ATOM 0 H ILE A 59 -9.196 -0.519 2.603 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.845 -2.814 3.246 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.417 -0.249 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.613 -0.640 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.802 0.497 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.017 -1.011 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.995 -2.275 5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.608 -2.395 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.623 1.611 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.056 1.615 3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.848 0.460 3.217 1.00 0.00 H new ATOM 751 N HIS A 60 -8.273 -3.415 5.674 1.00 0.00 N ATOM 752 CA HIS A 60 -8.435 -3.736 7.058 1.00 0.00 C ATOM 753 C HIS A 60 -7.112 -4.098 7.641 1.00 0.00 C ATOM 754 O HIS A 60 -6.073 -4.081 6.984 1.00 0.00 O ATOM 755 CB HIS A 60 -9.477 -4.842 7.291 1.00 0.00 C ATOM 756 CG HIS A 60 -9.135 -6.232 6.844 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.059 -7.225 7.097 1.00 0.00 N ATOM 758 CD2 HIS A 60 -8.025 -6.759 6.259 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.503 -8.340 6.659 1.00 0.00 C ATOM 760 NE2 HIS A 60 -8.266 -8.113 6.140 1.00 0.00 N ATOM 0 H HIS A 60 -7.788 -4.139 5.143 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.822 -2.853 7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.694 -4.878 8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.398 -4.546 6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.137 -6.227 5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.972 -9.312 6.707 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.637 -8.810 5.740 1.00 0.00 H new ATOM 768 N LYS A 61 -7.072 -4.463 8.934 1.00 0.00 N ATOM 769 CA LYS A 61 -5.871 -4.944 9.544 1.00 0.00 C ATOM 770 C LYS A 61 -5.594 -6.353 9.147 1.00 0.00 C ATOM 771 O LYS A 61 -6.235 -7.298 9.607 1.00 0.00 O ATOM 772 CB LYS A 61 -5.902 -4.742 11.068 1.00 0.00 C ATOM 773 CG LYS A 61 -7.152 -5.216 11.813 1.00 0.00 C ATOM 774 CD LYS A 61 -7.035 -4.926 13.311 1.00 0.00 C ATOM 775 CE LYS A 61 -8.175 -5.463 14.178 1.00 0.00 C ATOM 776 NZ LYS A 61 -9.495 -4.930 13.773 1.00 0.00 N ATOM 0 H LYS A 61 -7.876 -4.425 9.561 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.035 -4.351 9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.040 -5.256 11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.771 -3.679 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.033 -4.717 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.291 -6.285 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.097 -5.348 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.974 -3.847 13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.192 -6.551 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.987 -5.205 15.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.233 -5.324 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.491 -3.893 13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.690 -5.198 12.787 1.00 0.00 H new ATOM 790 N GLY A 62 -4.636 -6.555 8.225 1.00 0.00 N ATOM 791 CA GLY A 62 -4.352 -7.834 7.651 1.00 0.00 C ATOM 792 C GLY A 62 -3.924 -7.816 6.224 1.00 0.00 C ATOM 793 O GLY A 62 -3.377 -8.810 5.748 1.00 0.00 O ATOM 0 H GLY A 62 -4.041 -5.807 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.570 -8.312 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.242 -8.457 7.737 1.00 0.00 H new ATOM 797 N ASP A 63 -4.162 -6.731 5.466 1.00 0.00 N ATOM 798 CA ASP A 63 -3.913 -6.718 4.057 1.00 0.00 C ATOM 799 C ASP A 63 -2.479 -6.636 3.667 1.00 0.00 C ATOM 800 O ASP A 63 -1.615 -6.180 4.415 1.00 0.00 O ATOM 801 CB ASP A 63 -4.672 -5.580 3.352 1.00 0.00 C ATOM 802 CG ASP A 63 -6.171 -5.817 3.457 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.653 -6.925 3.097 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.894 -4.884 3.897 1.00 0.00 O ATOM 0 H ASP A 63 -4.531 -5.854 5.833 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.280 -7.691 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.413 -4.623 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.376 -5.527 2.304 1.00 0.00 H new ATOM 809 N ARG A 64 -2.183 -7.102 2.440 1.00 0.00 N ATOM 810 CA ARG A 64 -0.870 -7.213 1.885 1.00 0.00 C ATOM 811 C ARG A 64 -0.653 -6.118 0.896 1.00 0.00 C ATOM 812 O ARG A 64 -1.382 -5.985 -0.085 1.00 0.00 O ATOM 813 CB ARG A 64 -0.711 -8.611 1.266 1.00 0.00 C ATOM 814 CG ARG A 64 0.595 -8.968 0.552 1.00 0.00 C ATOM 815 CD ARG A 64 0.634 -8.571 -0.925 1.00 0.00 C ATOM 816 NE ARG A 64 1.776 -9.245 -1.604 1.00 0.00 N ATOM 817 CZ ARG A 64 1.610 -10.197 -2.569 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.461 -10.920 -2.707 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.619 -10.411 -3.463 1.00 0.00 N ATOM 0 H ARG A 64 -2.907 -7.421 1.796 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.108 -7.102 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.860 -9.341 2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.523 -8.748 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.423 -8.482 1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.757 -10.043 0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.302 -8.848 -1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.733 -7.489 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 64 2.725 -8.984 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.322 -10.760 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.385 -11.621 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.478 -9.864 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.514 -11.118 -4.191 1.00 0.00 H new ATOM 833 N VAL A 65 0.383 -5.285 1.097 1.00 0.00 N ATOM 834 CA VAL A 65 0.765 -4.215 0.228 1.00 0.00 C ATOM 835 C VAL A 65 1.816 -4.754 -0.682 1.00 0.00 C ATOM 836 O VAL A 65 2.899 -5.130 -0.240 1.00 0.00 O ATOM 837 CB VAL A 65 1.323 -3.017 0.936 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.196 -1.785 0.025 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.653 -2.761 2.296 1.00 0.00 C ATOM 0 H VAL A 65 0.989 -5.363 1.914 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.130 -3.872 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 65 2.373 -3.216 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.601 -0.911 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.751 -1.956 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.146 -1.613 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.098 -1.882 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.414 -2.593 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.799 -3.626 2.942 1.00 0.00 H new ATOM 849 N LEU A 66 1.546 -4.852 -1.996 1.00 0.00 N ATOM 850 CA LEU A 66 2.492 -5.349 -2.946 1.00 0.00 C ATOM 851 C LEU A 66 3.221 -4.264 -3.662 1.00 0.00 C ATOM 852 O LEU A 66 4.421 -4.398 -3.895 1.00 0.00 O ATOM 853 CB LEU A 66 1.905 -6.391 -3.913 1.00 0.00 C ATOM 854 CG LEU A 66 0.595 -6.080 -4.656 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.555 -6.841 -5.992 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.640 -6.467 -3.826 1.00 0.00 C ATOM 0 H LEU A 66 0.653 -4.581 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 66 3.234 -5.882 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.665 -6.603 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.750 -7.310 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 66 0.569 -5.004 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.376 -6.615 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.399 -6.535 -6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.614 -7.913 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.544 -6.231 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.614 -7.535 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.638 -5.909 -2.889 1.00 0.00 H new ATOM 868 N ALA A 67 2.570 -3.147 -4.033 1.00 0.00 N ATOM 869 CA ALA A 67 3.265 -2.132 -4.762 1.00 0.00 C ATOM 870 C ALA A 67 2.740 -0.755 -4.541 1.00 0.00 C ATOM 871 O ALA A 67 1.618 -0.557 -4.078 1.00 0.00 O ATOM 872 CB ALA A 67 3.276 -2.433 -6.270 1.00 0.00 C ATOM 0 H ALA A 67 1.589 -2.949 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 67 4.281 -2.155 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.812 -1.642 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.772 -3.387 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.251 -2.483 -6.638 1.00 0.00 H new ATOM 878 N VAL A 68 3.563 0.265 -4.845 1.00 0.00 N ATOM 879 CA VAL A 68 3.241 1.637 -4.601 1.00 0.00 C ATOM 880 C VAL A 68 3.560 2.490 -5.779 1.00 0.00 C ATOM 881 O VAL A 68 4.731 2.622 -6.128 1.00 0.00 O ATOM 882 CB VAL A 68 4.003 2.168 -3.422 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.562 3.617 -3.154 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.766 1.278 -2.192 1.00 0.00 C ATOM 0 H VAL A 68 4.479 0.131 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 68 2.170 1.674 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 68 5.072 2.158 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.110 4.012 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.770 4.229 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.493 3.639 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.324 1.674 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.703 1.264 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.103 0.264 -2.406 1.00 0.00 H new ATOM 894 N ASN A 69 2.566 3.083 -6.466 1.00 0.00 N ATOM 895 CA ASN A 69 2.679 3.644 -7.777 1.00 0.00 C ATOM 896 C ASN A 69 3.432 2.859 -8.794 1.00 0.00 C ATOM 897 O ASN A 69 4.091 3.391 -9.685 1.00 0.00 O ATOM 898 CB ASN A 69 2.925 5.162 -7.808 1.00 0.00 C ATOM 899 CG ASN A 69 4.318 5.618 -7.396 1.00 0.00 C ATOM 900 OD1 ASN A 69 5.253 5.643 -8.195 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.463 6.091 -6.130 1.00 0.00 N ATOM 0 H ASN A 69 1.626 3.176 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 69 1.661 3.527 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.730 5.522 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.198 5.642 -7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.359 6.475 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.676 6.062 -5.481 1.00 0.00 H new ATOM 908 N GLY A 70 3.344 1.518 -8.715 1.00 0.00 N ATOM 909 CA GLY A 70 4.060 0.636 -9.583 1.00 0.00 C ATOM 910 C GLY A 70 5.469 0.403 -9.158 1.00 0.00 C ATOM 911 O GLY A 70 6.325 0.012 -9.951 1.00 0.00 O ATOM 0 H GLY A 70 2.761 1.036 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.539 -0.320 -9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.056 1.049 -10.592 1.00 0.00 H new ATOM 915 N VAL A 71 5.756 0.624 -7.863 1.00 0.00 N ATOM 916 CA VAL A 71 7.012 0.314 -7.252 1.00 0.00 C ATOM 917 C VAL A 71 6.722 -0.801 -6.307 1.00 0.00 C ATOM 918 O VAL A 71 6.215 -0.602 -5.203 1.00 0.00 O ATOM 919 CB VAL A 71 7.693 1.433 -6.523 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.106 0.993 -6.105 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.784 2.664 -7.441 1.00 0.00 C ATOM 0 H VAL A 71 5.085 1.036 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 71 7.719 0.068 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 71 7.118 1.688 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.599 1.808 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.038 0.124 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.684 0.735 -6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.279 3.477 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.357 2.411 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.781 2.977 -7.730 1.00 0.00 H new ATOM 931 N SER A 72 6.973 -2.048 -6.741 1.00 0.00 N ATOM 932 CA SER A 72 6.762 -3.213 -5.940 1.00 0.00 C ATOM 933 C SER A 72 7.735 -3.340 -4.819 1.00 0.00 C ATOM 934 O SER A 72 8.914 -3.007 -4.927 1.00 0.00 O ATOM 935 CB SER A 72 6.717 -4.525 -6.742 1.00 0.00 C ATOM 936 OG SER A 72 7.903 -4.748 -7.489 1.00 0.00 O ATOM 0 H SER A 72 7.332 -2.252 -7.674 1.00 0.00 H new ATOM 0 HA SER A 72 5.770 -3.055 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.560 -5.359 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.864 -4.503 -7.420 1.00 0.00 H new ATOM 0 HG SER A 72 7.920 -5.675 -7.807 1.00 0.00 H new ATOM 942 N LEU A 73 7.257 -3.858 -3.672 1.00 0.00 N ATOM 943 CA LEU A 73 8.035 -4.083 -2.493 1.00 0.00 C ATOM 944 C LEU A 73 8.726 -5.400 -2.581 1.00 0.00 C ATOM 945 O LEU A 73 8.606 -6.255 -1.706 1.00 0.00 O ATOM 946 CB LEU A 73 7.102 -4.038 -1.273 1.00 0.00 C ATOM 947 CG LEU A 73 6.537 -2.640 -0.970 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.147 -2.748 -0.322 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.465 -1.844 -0.037 1.00 0.00 C ATOM 0 H LEU A 73 6.281 -4.133 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 73 8.797 -3.310 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.273 -4.726 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.646 -4.396 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 73 6.461 -2.112 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.763 -1.749 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.468 -3.264 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.223 -3.308 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.033 -0.862 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.580 -2.380 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.441 -1.726 -0.509 1.00 0.00 H new ATOM 961 N GLU A 74 9.520 -5.597 -3.649 1.00 0.00 N ATOM 962 CA GLU A 74 10.045 -6.828 -4.156 1.00 0.00 C ATOM 963 C GLU A 74 11.202 -7.373 -3.390 1.00 0.00 C ATOM 964 O GLU A 74 12.025 -8.150 -3.869 1.00 0.00 O ATOM 965 CB GLU A 74 10.430 -6.570 -5.622 1.00 0.00 C ATOM 966 CG GLU A 74 10.399 -7.771 -6.569 1.00 0.00 C ATOM 967 CD GLU A 74 9.001 -8.207 -6.982 1.00 0.00 C ATOM 968 OE1 GLU A 74 8.240 -7.390 -7.566 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.650 -9.395 -6.754 1.00 0.00 O ATOM 0 H GLU A 74 9.825 -4.807 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 74 9.279 -7.597 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.760 -5.808 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.436 -6.150 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.970 -7.527 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.902 -8.611 -6.089 1.00 0.00 H new ATOM 976 N GLY A 75 11.286 -6.985 -2.105 1.00 0.00 N ATOM 977 CA GLY A 75 12.333 -7.320 -1.191 1.00 0.00 C ATOM 978 C GLY A 75 12.576 -6.214 -0.222 1.00 0.00 C ATOM 979 O GLY A 75 13.720 -5.927 0.126 1.00 0.00 O ATOM 0 H GLY A 75 10.572 -6.396 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.071 -8.230 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.249 -7.531 -1.744 1.00 0.00 H new ATOM 983 N ALA A 76 11.510 -5.561 0.275 1.00 0.00 N ATOM 984 CA ALA A 76 11.630 -4.489 1.213 1.00 0.00 C ATOM 985 C ALA A 76 11.336 -4.935 2.604 1.00 0.00 C ATOM 986 O ALA A 76 10.554 -5.854 2.846 1.00 0.00 O ATOM 987 CB ALA A 76 10.759 -3.286 0.813 1.00 0.00 C ATOM 0 H ALA A 76 10.547 -5.782 0.020 1.00 0.00 H new ATOM 0 HA ALA A 76 12.669 -4.161 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.876 -2.491 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.069 -2.922 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.713 -3.591 0.772 1.00 0.00 H new ATOM 993 N THR A 77 12.003 -4.302 3.585 1.00 0.00 N ATOM 994 CA THR A 77 12.011 -4.583 4.987 1.00 0.00 C ATOM 995 C THR A 77 11.024 -3.711 5.684 1.00 0.00 C ATOM 996 O THR A 77 10.151 -3.118 5.052 1.00 0.00 O ATOM 997 CB THR A 77 13.361 -4.269 5.563 1.00 0.00 C ATOM 998 OG1 THR A 77 13.765 -2.933 5.300 1.00 0.00 O ATOM 999 CG2 THR A 77 14.417 -5.143 4.866 1.00 0.00 C ATOM 0 H THR A 77 12.602 -3.505 3.368 1.00 0.00 H new ATOM 0 HA THR A 77 11.765 -5.636 5.124 1.00 0.00 H new ATOM 0 HB THR A 77 13.286 -4.440 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.648 -2.774 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.402 -4.922 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.183 -6.195 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.415 -4.932 3.797 1.00 0.00 H new ATOM 1007 N HIS A 78 11.147 -3.507 7.008 1.00 0.00 N ATOM 1008 CA HIS A 78 10.482 -2.436 7.683 1.00 0.00 C ATOM 1009 C HIS A 78 10.952 -1.101 7.221 1.00 0.00 C ATOM 1010 O HIS A 78 10.147 -0.280 6.782 1.00 0.00 O ATOM 1011 CB HIS A 78 10.616 -2.548 9.212 1.00 0.00 C ATOM 1012 CG HIS A 78 10.071 -1.393 9.998 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.878 -0.559 10.725 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.807 -0.903 10.105 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.144 0.394 11.268 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.890 0.212 10.898 1.00 0.00 N ATOM 0 H HIS A 78 11.716 -4.094 7.618 1.00 0.00 H new ATOM 0 HA HIS A 78 9.427 -2.527 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.109 -3.457 9.537 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.671 -2.666 9.458 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.888 -0.659 10.830 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.915 -1.311 9.654 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.507 1.187 11.906 1.00 0.00 H new ATOM 1025 N LYS A 79 12.266 -0.816 7.265 1.00 0.00 N ATOM 1026 CA LYS A 79 12.802 0.449 6.865 1.00 0.00 C ATOM 1027 C LYS A 79 12.698 0.729 5.405 1.00 0.00 C ATOM 1028 O LYS A 79 12.385 1.848 5.001 1.00 0.00 O ATOM 1029 CB LYS A 79 14.239 0.638 7.378 1.00 0.00 C ATOM 1030 CG LYS A 79 14.665 2.105 7.452 1.00 0.00 C ATOM 1031 CD LYS A 79 16.083 2.359 7.969 1.00 0.00 C ATOM 1032 CE LYS A 79 16.312 1.978 9.434 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.596 2.539 9.910 1.00 0.00 N ATOM 0 H LYS A 79 12.972 -1.479 7.586 1.00 0.00 H new ATOM 0 HA LYS A 79 12.165 1.194 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.326 0.191 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.925 0.100 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.578 2.540 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.963 2.636 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.785 1.801 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.316 3.416 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.493 2.352 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.319 0.893 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.742 2.275 10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.375 2.161 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.574 3.575 9.826 1.00 0.00 H new ATOM 1047 N GLN A 80 12.902 -0.270 4.527 1.00 0.00 N ATOM 1048 CA GLN A 80 12.701 -0.092 3.123 1.00 0.00 C ATOM 1049 C GLN A 80 11.269 0.097 2.756 1.00 0.00 C ATOM 1050 O GLN A 80 10.959 0.915 1.891 1.00 0.00 O ATOM 1051 CB GLN A 80 13.258 -1.240 2.264 1.00 0.00 C ATOM 1052 CG GLN A 80 14.781 -1.383 2.295 1.00 0.00 C ATOM 1053 CD GLN A 80 15.308 -2.581 1.516 1.00 0.00 C ATOM 1054 OE1 GLN A 80 16.052 -3.417 2.026 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.934 -2.674 0.212 1.00 0.00 N ATOM 0 H GLN A 80 13.208 -1.206 4.792 1.00 0.00 H new ATOM 0 HA GLN A 80 13.261 0.818 2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.812 -2.176 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.942 -1.089 1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 80 15.229 -0.475 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 80 15.107 -1.465 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.316 -1.971 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.271 -3.447 -0.361 1.00 0.00 H new ATOM 1064 N ALA A 81 10.311 -0.611 3.380 1.00 0.00 N ATOM 1065 CA ALA A 81 8.929 -0.395 3.085 1.00 0.00 C ATOM 1066 C ALA A 81 8.434 0.949 3.497 1.00 0.00 C ATOM 1067 O ALA A 81 7.646 1.566 2.784 1.00 0.00 O ATOM 1068 CB ALA A 81 8.043 -1.451 3.768 1.00 0.00 C ATOM 0 H ALA A 81 10.491 -1.327 4.083 1.00 0.00 H new ATOM 0 HA ALA A 81 8.860 -0.470 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.998 -1.261 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.323 -2.444 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.180 -1.398 4.848 1.00 0.00 H new ATOM 1074 N VAL A 82 8.887 1.462 4.655 1.00 0.00 N ATOM 1075 CA VAL A 82 8.583 2.774 5.137 1.00 0.00 C ATOM 1076 C VAL A 82 8.955 3.806 4.129 1.00 0.00 C ATOM 1077 O VAL A 82 8.089 4.559 3.684 1.00 0.00 O ATOM 1078 CB VAL A 82 9.228 3.055 6.462 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.337 4.549 6.811 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.405 2.343 7.549 1.00 0.00 C ATOM 0 H VAL A 82 9.494 0.937 5.285 1.00 0.00 H new ATOM 0 HA VAL A 82 7.505 2.819 5.294 1.00 0.00 H new ATOM 0 HB VAL A 82 10.252 2.687 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.815 4.661 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.933 5.057 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.340 4.989 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.852 2.530 8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.383 2.723 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.395 1.271 7.354 1.00 0.00 H new ATOM 1090 N GLU A 83 10.214 3.829 3.658 1.00 0.00 N ATOM 1091 CA GLU A 83 10.679 4.681 2.607 1.00 0.00 C ATOM 1092 C GLU A 83 9.863 4.635 1.362 1.00 0.00 C ATOM 1093 O GLU A 83 9.569 5.662 0.752 1.00 0.00 O ATOM 1094 CB GLU A 83 12.138 4.348 2.253 1.00 0.00 C ATOM 1095 CG GLU A 83 13.161 4.890 3.254 1.00 0.00 C ATOM 1096 CD GLU A 83 13.322 6.398 3.135 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.075 6.856 2.236 1.00 0.00 O ATOM 1098 OE2 GLU A 83 12.710 7.140 3.950 1.00 0.00 O ATOM 0 H GLU A 83 10.945 3.222 4.029 1.00 0.00 H new ATOM 0 HA GLU A 83 10.588 5.692 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.247 3.265 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.363 4.751 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.848 4.636 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.124 4.407 3.087 1.00 0.00 H new ATOM 1105 N THR A 84 9.425 3.431 0.954 1.00 0.00 N ATOM 1106 CA THR A 84 8.707 3.170 -0.254 1.00 0.00 C ATOM 1107 C THR A 84 7.312 3.692 -0.254 1.00 0.00 C ATOM 1108 O THR A 84 6.777 4.025 -1.311 1.00 0.00 O ATOM 1109 CB THR A 84 8.776 1.705 -0.571 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.133 1.297 -0.654 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.155 1.282 -1.912 1.00 0.00 C ATOM 0 H THR A 84 9.583 2.586 1.504 1.00 0.00 H new ATOM 0 HA THR A 84 9.196 3.728 -1.052 1.00 0.00 H new ATOM 0 HB THR A 84 8.209 1.241 0.236 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.438 0.993 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.261 0.204 -2.038 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.098 1.547 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.666 1.795 -2.727 1.00 0.00 H new ATOM 1119 N LEU A 85 6.671 3.881 0.913 1.00 0.00 N ATOM 1120 CA LEU A 85 5.449 4.608 1.063 1.00 0.00 C ATOM 1121 C LEU A 85 5.634 6.058 1.349 1.00 0.00 C ATOM 1122 O LEU A 85 4.879 6.901 0.868 1.00 0.00 O ATOM 1123 CB LEU A 85 4.603 4.037 2.213 1.00 0.00 C ATOM 1124 CG LEU A 85 4.020 2.634 1.971 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.331 2.155 3.260 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.989 2.606 0.829 1.00 0.00 C ATOM 0 H LEU A 85 7.022 3.508 1.795 1.00 0.00 H new ATOM 0 HA LEU A 85 4.954 4.500 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.218 4.006 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.781 4.724 2.412 1.00 0.00 H new ATOM 0 HG LEU A 85 4.847 1.983 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.913 1.161 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.060 2.117 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.531 2.847 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.612 1.591 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.161 3.273 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.462 2.934 -0.097 1.00 0.00 H new ATOM 1138 N ARG A 86 6.615 6.420 2.195 1.00 0.00 N ATOM 1139 CA ARG A 86 6.867 7.741 2.679 1.00 0.00 C ATOM 1140 C ARG A 86 7.471 8.667 1.681 1.00 0.00 C ATOM 1141 O ARG A 86 7.010 9.798 1.533 1.00 0.00 O ATOM 1142 CB ARG A 86 7.642 7.596 4.000 1.00 0.00 C ATOM 1143 CG ARG A 86 8.282 8.838 4.623 1.00 0.00 C ATOM 1144 CD ARG A 86 9.767 8.844 4.253 1.00 0.00 C ATOM 1145 NE ARG A 86 10.401 10.114 4.704 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.593 10.541 4.195 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.401 9.738 3.443 1.00 0.00 N ATOM 1148 NH2 ARG A 86 12.045 11.806 4.441 1.00 0.00 N ATOM 0 H ARG A 86 7.278 5.740 2.566 1.00 0.00 H new ATOM 0 HA ARG A 86 5.924 8.252 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.960 7.172 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.433 6.863 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.795 9.742 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.160 8.827 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.269 7.994 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.882 8.734 3.175 1.00 0.00 H new ATOM 0 HE ARG A 86 9.932 10.679 5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.121 8.778 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.284 10.098 3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.490 12.444 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.938 12.113 4.055 1.00 0.00 H new ATOM 1162 N ASN A 87 8.514 8.264 0.933 1.00 0.00 N ATOM 1163 CA ASN A 87 9.301 9.104 0.086 1.00 0.00 C ATOM 1164 C ASN A 87 8.705 9.312 -1.264 1.00 0.00 C ATOM 1165 O ASN A 87 9.398 9.442 -2.271 1.00 0.00 O ATOM 1166 CB ASN A 87 10.706 8.481 0.018 1.00 0.00 C ATOM 1167 CG ASN A 87 11.824 9.328 -0.572 1.00 0.00 C ATOM 1168 OD1 ASN A 87 12.619 8.862 -1.388 1.00 0.00 O ATOM 1169 ND2 ASN A 87 11.943 10.607 -0.126 1.00 0.00 N ATOM 0 H ASN A 87 8.825 7.293 0.920 1.00 0.00 H new ATOM 0 HA ASN A 87 9.345 10.109 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.997 8.198 1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.638 7.562 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.701 11.198 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.274 10.976 0.550 1.00 0.00 H new ATOM 1176 N THR A 88 7.363 9.360 -1.333 1.00 0.00 N ATOM 1177 CA THR A 88 6.553 9.366 -2.512 1.00 0.00 C ATOM 1178 C THR A 88 6.004 10.705 -2.868 1.00 0.00 C ATOM 1179 O THR A 88 5.775 11.553 -2.006 1.00 0.00 O ATOM 1180 CB THR A 88 5.397 8.429 -2.326 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.661 8.741 -1.153 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.955 7.009 -2.133 1.00 0.00 C ATOM 0 H THR A 88 6.795 9.398 -0.486 1.00 0.00 H new ATOM 0 HA THR A 88 7.210 9.057 -3.325 1.00 0.00 H new ATOM 0 HB THR A 88 4.749 8.512 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.689 7.979 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.130 6.310 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.532 6.722 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.599 6.988 -1.254 1.00 0.00 H new ATOM 1190 N GLY A 89 5.724 10.935 -4.163 1.00 0.00 N ATOM 1191 CA GLY A 89 5.279 12.182 -4.704 1.00 0.00 C ATOM 1192 C GLY A 89 3.826 12.473 -4.557 1.00 0.00 C ATOM 1193 O GLY A 89 3.095 12.640 -5.532 1.00 0.00 O ATOM 0 H GLY A 89 5.813 10.208 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.841 12.985 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.529 12.206 -5.765 1.00 0.00 H new ATOM 1197 N GLN A 90 3.383 12.565 -3.289 1.00 0.00 N ATOM 1198 CA GLN A 90 2.078 12.859 -2.783 1.00 0.00 C ATOM 1199 C GLN A 90 1.000 11.876 -3.085 1.00 0.00 C ATOM 1200 O GLN A 90 0.305 11.422 -2.177 1.00 0.00 O ATOM 1201 CB GLN A 90 1.650 14.321 -2.992 1.00 0.00 C ATOM 1202 CG GLN A 90 0.501 14.725 -2.066 1.00 0.00 C ATOM 1203 CD GLN A 90 0.238 16.223 -2.007 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.881 16.690 -2.218 1.00 0.00 O ATOM 1205 NE2 GLN A 90 1.287 17.021 -1.674 1.00 0.00 N ATOM 0 H GLN A 90 4.034 12.411 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 90 2.217 12.727 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.503 14.976 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.346 14.464 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.408 14.221 -2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.718 14.367 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.205 16.611 -1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.156 18.029 -1.594 1.00 0.00 H new ATOM 1214 N VAL A 91 0.834 11.484 -4.361 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.074 10.459 -4.773 1.00 0.00 C ATOM 1216 C VAL A 91 0.533 9.119 -4.530 1.00 0.00 C ATOM 1217 O VAL A 91 1.642 8.794 -4.952 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.525 10.543 -6.201 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.241 9.270 -6.682 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.465 11.756 -6.299 1.00 0.00 C ATOM 0 H VAL A 91 1.353 11.897 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.968 10.611 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 91 0.346 10.650 -6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.543 9.393 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.565 8.419 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.123 9.094 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.821 11.859 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.315 11.612 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.926 12.658 -6.010 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.232 8.274 -3.816 1.00 0.00 N ATOM 1231 CA VAL A 92 0.132 6.916 -3.552 1.00 0.00 C ATOM 1232 C VAL A 92 -0.944 6.071 -4.142 1.00 0.00 C ATOM 1233 O VAL A 92 -2.044 5.949 -3.605 1.00 0.00 O ATOM 1234 CB VAL A 92 0.309 6.702 -2.078 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.771 5.268 -1.771 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.406 7.670 -1.602 1.00 0.00 C ATOM 0 H VAL A 92 -1.129 8.542 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 92 1.089 6.649 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.643 6.873 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.890 5.147 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.027 4.560 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.724 5.079 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.563 7.543 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.334 7.458 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.099 8.696 -1.805 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.658 5.446 -5.298 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.459 4.388 -5.831 1.00 0.00 C ATOM 1248 C HIS A 93 -1.105 3.145 -5.092 1.00 0.00 C ATOM 1249 O HIS A 93 -0.046 2.567 -5.335 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.224 4.097 -7.323 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.717 5.138 -8.283 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.003 6.295 -8.516 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.849 5.109 -9.038 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.725 6.966 -9.395 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.850 6.290 -9.751 1.00 0.00 N ATOM 0 H HIS A 93 0.149 5.681 -5.876 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.498 4.699 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.154 3.963 -7.482 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.704 3.150 -7.568 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.591 4.325 -9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.454 7.936 -9.785 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.559 6.597 -10.417 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.944 2.703 -4.139 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.650 1.578 -3.306 1.00 0.00 C ATOM 1265 C LEU A 94 -2.100 0.317 -3.959 1.00 0.00 C ATOM 1266 O LEU A 94 -3.296 0.087 -4.133 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.310 1.656 -1.920 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.658 2.726 -1.030 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.645 3.270 0.017 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.341 2.201 -0.434 1.00 0.00 C ATOM 0 H LEU A 94 -2.846 3.136 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.569 1.589 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.371 1.878 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.239 0.685 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.394 3.586 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.149 4.024 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.501 3.718 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.986 2.454 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.107 2.972 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.542 1.315 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.346 1.944 -1.240 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.150 -0.560 -4.331 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.465 -1.864 -4.825 1.00 0.00 C ATOM 1284 C LEU A 95 -1.568 -2.791 -3.662 1.00 0.00 C ATOM 1285 O LEU A 95 -0.572 -3.294 -3.146 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.408 -2.322 -5.844 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.000 -2.920 -7.130 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.135 -3.519 -7.977 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.109 -3.954 -6.871 1.00 0.00 C ATOM 0 H LEU A 95 -0.150 -0.361 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.419 -1.856 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.221 -1.472 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.238 -3.064 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.484 -2.111 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.279 -3.945 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.850 -2.737 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.640 -4.300 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.481 -4.334 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.707 -4.779 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.926 -3.482 -6.324 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.817 -2.985 -3.203 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.219 -3.764 -2.073 1.00 0.00 C ATOM 1303 C LEU A 96 -3.803 -5.058 -2.522 1.00 0.00 C ATOM 1304 O LEU A 96 -4.536 -5.117 -3.508 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.308 -2.998 -1.301 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.802 -1.872 -0.385 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.667 -0.605 -0.494 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.786 -2.394 1.062 1.00 0.00 C ATOM 0 H LEU A 96 -3.618 -2.556 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.347 -3.949 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.007 -2.571 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.869 -3.710 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.797 -1.589 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.272 0.163 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.650 -0.240 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.693 -0.839 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.429 -1.608 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.794 -2.687 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.123 -3.256 1.130 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.520 -6.162 -1.806 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.184 -7.420 -1.949 1.00 0.00 C ATOM 1322 C GLU A 97 -5.023 -7.673 -0.745 1.00 0.00 C ATOM 1323 O GLU A 97 -4.622 -7.429 0.392 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.183 -8.580 -2.098 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.769 -9.993 -2.118 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.698 -11.067 -1.989 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.734 -10.894 -1.197 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.836 -12.143 -2.632 1.00 0.00 O ATOM 0 H GLU A 97 -2.792 -6.177 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.796 -7.372 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.623 -8.430 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.467 -8.520 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.485 -10.098 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.319 -10.142 -3.047 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.233 -8.207 -0.990 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.228 -8.582 -0.034 1.00 0.00 C ATOM 1337 C LYS A 98 -6.828 -9.703 0.863 1.00 0.00 C ATOM 1338 O LYS A 98 -6.754 -10.861 0.456 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.475 -9.001 -0.832 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.747 -9.273 -0.027 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.523 -8.002 0.321 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.499 -7.580 -0.779 1.00 0.00 C ATOM 1343 NZ LYS A 98 -12.067 -6.248 -0.474 1.00 0.00 N ATOM 0 H LYS A 98 -6.541 -8.392 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.400 -7.728 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.693 -8.218 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.231 -9.901 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.393 -9.941 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.482 -9.793 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.075 -8.161 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.818 -7.191 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.986 -7.553 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.300 -8.314 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.728 -5.972 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.573 -6.286 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.299 -5.549 -0.414 1.00 0.00 H new ATOM 1434 N LEU B 206 9.312 -2.412 14.089 1.00 0.00 N ATOM 1435 CA LEU B 206 8.073 -2.749 13.457 1.00 0.00 C ATOM 1436 C LEU B 206 7.077 -1.670 13.706 1.00 0.00 C ATOM 1437 O LEU B 206 7.140 -1.001 14.737 1.00 0.00 O ATOM 1438 CB LEU B 206 7.488 -4.049 14.036 1.00 0.00 C ATOM 1439 CG LEU B 206 6.444 -4.758 13.157 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.159 -5.403 11.957 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.749 -5.832 14.010 1.00 0.00 C ATOM 0 HA LEU B 206 8.271 -2.873 12.392 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.308 -4.742 14.226 1.00 0.00 H new ATOM 0 HB3 LEU B 206 7.032 -3.823 15.000 1.00 0.00 H new ATOM 0 HG LEU B 206 5.701 -4.052 12.785 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.428 -5.909 11.327 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.666 -4.631 11.377 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.891 -6.127 12.316 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.003 -6.349 13.407 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.489 -6.549 14.366 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.262 -5.360 14.863 1.00 0.00 H new ATOM 1453 N VAL B 207 6.102 -1.495 12.797 1.00 0.00 N ATOM 1454 CA VAL B 207 4.972 -0.635 12.970 1.00 0.00 C ATOM 1455 C VAL B 207 5.295 0.819 13.006 1.00 0.00 C ATOM 1456 O VAL B 207 5.744 1.406 13.989 1.00 0.00 O ATOM 1457 CB VAL B 207 3.990 -1.120 13.995 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.041 -0.017 14.493 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.213 -2.296 13.381 1.00 0.00 C ATOM 0 H VAL B 207 6.101 -1.976 11.898 1.00 0.00 H new ATOM 0 HA VAL B 207 4.413 -0.717 12.038 1.00 0.00 H new ATOM 0 HB VAL B 207 4.536 -1.442 14.881 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.356 -0.433 15.232 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.622 0.785 14.948 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.471 0.379 13.653 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.489 -2.671 14.105 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.690 -1.959 12.486 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.908 -3.093 13.117 1.00 0.00 H new ATOM 1469 N THR B 208 5.050 1.462 11.850 1.00 0.00 N ATOM 1470 CA THR B 208 5.286 2.855 11.634 1.00 0.00 C ATOM 1471 C THR B 208 4.087 3.296 10.866 1.00 0.00 C ATOM 1472 O THR B 208 3.697 2.597 9.933 1.00 0.00 O ATOM 1473 CB THR B 208 6.501 3.129 10.798 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.653 2.617 11.452 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.747 4.630 10.576 1.00 0.00 C ATOM 0 H THR B 208 4.670 0.989 11.030 1.00 0.00 H new ATOM 0 HA THR B 208 5.450 3.366 12.583 1.00 0.00 H new ATOM 0 HB THR B 208 6.323 2.651 9.835 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.057 1.914 10.901 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.639 4.766 9.965 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.888 5.068 10.067 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.888 5.122 11.538 1.00 0.00 H new ATOM 1483 N SER B 209 3.479 4.430 11.258 1.00 0.00 N ATOM 1484 CA SER B 209 2.434 5.100 10.546 1.00 0.00 C ATOM 1485 C SER B 209 3.007 5.796 9.360 1.00 0.00 C ATOM 1486 O SER B 209 3.857 6.673 9.508 1.00 0.00 O ATOM 1487 CB SER B 209 1.741 6.187 11.383 1.00 0.00 C ATOM 1488 OG SER B 209 1.201 5.657 12.585 1.00 0.00 O ATOM 0 H SER B 209 3.732 4.907 12.123 1.00 0.00 H new ATOM 0 HA SER B 209 1.710 4.330 10.278 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.456 6.975 11.621 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.945 6.646 10.797 1.00 0.00 H new ATOM 0 HG SER B 209 0.769 6.375 13.094 1.00 0.00 H new ATOM 1494 N VAL B 210 2.586 5.443 8.133 1.00 0.00 N ATOM 1495 CA VAL B 210 3.111 5.987 6.920 1.00 0.00 C ATOM 1496 C VAL B 210 1.938 5.893 5.954 1.00 0.00 C ATOM 1497 O VAL B 210 0.855 5.345 6.288 1.00 0.00 O ATOM 1498 CB VAL B 210 4.297 5.293 6.318 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.590 5.950 6.829 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.266 3.781 6.596 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.094 6.487 4.853 1.00 0.00 O ATOM 0 H VAL B 210 1.852 4.752 7.980 1.00 0.00 H new ATOM 0 HA VAL B 210 3.494 6.986 7.127 1.00 0.00 H new ATOM 0 HB VAL B 210 4.261 5.404 5.234 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.452 5.446 6.392 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.601 7.002 6.543 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.635 5.869 7.915 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.140 3.310 6.145 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.275 3.609 7.672 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.361 3.351 6.168 1.00 0.00 H new