USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 72 HIS : no HE2:sc= -0.148 X(o=0.16,f=-0.087) USER MOD Set 1.2: B 116 THR OG1 : rot 94:sc= 0.306 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 SER OG : rot -160:sc= 0 USER MOD Set 3.1: A 16 SER OG : rot 59:sc= 0.271 USER MOD Set 3.2: A 84 SER OG : rot 171:sc= -0.37 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -0.693 (180deg=-0.705) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -49:sc= -7.46! USER MOD Single : A 26 SER OG : rot 180:sc= -1.57 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.042) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.21 F(o=-0.89,f=-0.21) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= -0.284 USER MOD Single : A 48 SER OG : rot 60:sc= -1.13 USER MOD Single : A 58 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.2!) USER MOD Single : A 63 ASN : amide:sc= -0.71 K(o=-0.71,f=-2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.8!) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0.0191 (180deg=-0.66) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 153:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 10 -2.339 -2.255 -14.265 1.00 0.00 N ATOM 26 CA GLU A 10 -1.255 -1.464 -13.694 1.00 0.00 C ATOM 27 C GLU A 10 -1.590 0.023 -13.732 1.00 0.00 C ATOM 28 O GLU A 10 -1.601 0.639 -14.798 1.00 0.00 O ATOM 29 CB GLU A 10 0.047 -1.724 -14.454 1.00 0.00 C ATOM 30 CG GLU A 10 0.830 -2.917 -13.933 1.00 0.00 C ATOM 31 CD GLU A 10 0.029 -4.204 -13.973 1.00 0.00 C ATOM 32 OE1 GLU A 10 -0.735 -4.397 -14.941 1.00 0.00 O ATOM 33 OE2 GLU A 10 0.165 -5.017 -13.035 1.00 0.00 O ATOM 0 HA GLU A 10 -1.127 -1.763 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.183 -1.884 -15.507 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.675 -0.835 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.736 -3.039 -14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.144 -2.721 -12.908 1.00 0.00 H new ATOM 40 N LYS A 11 -1.859 0.597 -12.564 1.00 0.00 N ATOM 41 CA LYS A 11 -2.191 2.016 -12.470 1.00 0.00 C ATOM 42 C LYS A 11 -0.967 2.838 -12.075 1.00 0.00 C ATOM 43 O LYS A 11 -0.097 2.367 -11.343 1.00 0.00 O ATOM 44 CB LYS A 11 -3.326 2.234 -11.462 1.00 0.00 C ATOM 45 CG LYS A 11 -3.606 3.700 -11.161 1.00 0.00 C ATOM 46 CD LYS A 11 -4.988 3.890 -10.558 1.00 0.00 C ATOM 47 CE LYS A 11 -5.034 3.415 -9.114 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.582 2.036 -8.998 1.00 0.00 N ATOM 0 H LYS A 11 -1.854 0.104 -11.671 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.524 2.352 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.235 1.771 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.077 1.723 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.852 4.082 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.525 4.283 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.265 4.943 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.722 3.340 -11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.030 3.443 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.646 4.099 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.426 1.680 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.602 2.050 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.102 1.413 -9.679 1.00 0.00 H new ATOM 62 N LYS A 12 -0.910 4.072 -12.564 1.00 0.00 N ATOM 63 CA LYS A 12 0.206 4.962 -12.262 1.00 0.00 C ATOM 64 C LYS A 12 -0.200 6.010 -11.232 1.00 0.00 C ATOM 65 O LYS A 12 -1.340 6.474 -11.218 1.00 0.00 O ATOM 66 CB LYS A 12 0.697 5.647 -13.539 1.00 0.00 C ATOM 67 CG LYS A 12 2.120 6.172 -13.437 1.00 0.00 C ATOM 68 CD LYS A 12 3.140 5.097 -13.782 1.00 0.00 C ATOM 69 CE LYS A 12 4.161 5.598 -14.789 1.00 0.00 C ATOM 70 NZ LYS A 12 4.552 4.538 -15.761 1.00 0.00 N ATOM 0 H LYS A 12 -1.622 4.479 -13.170 1.00 0.00 H new ATOM 0 HA LYS A 12 1.016 4.363 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.637 4.940 -14.367 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.029 6.475 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.244 7.021 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.302 6.536 -12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.651 4.775 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.627 4.224 -14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.750 6.451 -15.329 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.047 5.951 -14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.250 4.921 -16.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.968 3.734 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.711 4.218 -16.283 1.00 0.00 H new ATOM 84 N VAL A 13 0.743 6.379 -10.370 1.00 0.00 N ATOM 85 CA VAL A 13 0.485 7.371 -9.334 1.00 0.00 C ATOM 86 C VAL A 13 1.741 8.180 -9.025 1.00 0.00 C ATOM 87 O VAL A 13 2.855 7.663 -9.095 1.00 0.00 O ATOM 88 CB VAL A 13 -0.024 6.705 -8.039 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.296 7.746 -6.964 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.273 5.884 -8.321 1.00 0.00 C ATOM 0 H VAL A 13 1.692 6.005 -10.369 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.286 8.041 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 13 0.753 6.036 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.654 7.252 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.623 8.288 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.053 8.446 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.620 5.420 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.054 6.534 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.042 5.109 -9.051 1.00 0.00 H new ATOM 100 N PHE A 14 1.552 9.450 -8.682 1.00 0.00 N ATOM 101 CA PHE A 14 2.670 10.329 -8.361 1.00 0.00 C ATOM 102 C PHE A 14 2.358 11.180 -7.134 1.00 0.00 C ATOM 103 O PHE A 14 1.391 11.941 -7.124 1.00 0.00 O ATOM 104 CB PHE A 14 2.999 11.231 -9.551 1.00 0.00 C ATOM 105 CG PHE A 14 1.810 11.969 -10.095 1.00 0.00 C ATOM 106 CD1 PHE A 14 0.818 11.295 -10.789 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.684 13.336 -9.911 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.278 11.972 -11.291 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.590 14.018 -10.410 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.392 13.335 -11.101 1.00 0.00 C ATOM 0 H PHE A 14 0.635 9.893 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 14 3.536 9.705 -8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.757 11.954 -9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.434 10.625 -10.346 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.902 10.229 -10.939 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.449 13.875 -9.372 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.044 11.435 -11.831 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.503 15.084 -10.260 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.247 13.866 -11.492 1.00 0.00 H new ATOM 120 N ILE A 15 3.183 11.043 -6.101 1.00 0.00 N ATOM 121 CA ILE A 15 2.997 11.798 -4.868 1.00 0.00 C ATOM 122 C ILE A 15 4.017 12.926 -4.756 1.00 0.00 C ATOM 123 O ILE A 15 5.222 12.682 -4.698 1.00 0.00 O ATOM 124 CB ILE A 15 3.117 10.889 -3.631 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.264 9.633 -3.808 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.704 11.645 -2.376 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.793 9.926 -4.010 1.00 0.00 C ATOM 0 H ILE A 15 3.987 10.416 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 15 1.993 12.221 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 15 4.158 10.585 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.635 9.069 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.383 8.996 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.794 10.989 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.351 12.512 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.670 11.976 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.248 8.989 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.407 10.463 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.663 10.537 -4.903 1.00 0.00 H new ATOM 139 N SER A 16 3.526 14.160 -4.725 1.00 0.00 N ATOM 140 CA SER A 16 4.393 15.328 -4.618 1.00 0.00 C ATOM 141 C SER A 16 3.999 16.187 -3.422 1.00 0.00 C ATOM 142 O SER A 16 2.840 16.581 -3.281 1.00 0.00 O ATOM 143 CB SER A 16 4.329 16.158 -5.901 1.00 0.00 C ATOM 144 OG SER A 16 4.867 17.452 -5.697 1.00 0.00 O ATOM 0 H SER A 16 2.531 14.378 -4.773 1.00 0.00 H new ATOM 0 HA SER A 16 5.415 14.979 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.881 15.652 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.294 16.239 -6.234 1.00 0.00 H new ATOM 0 HG SER A 16 5.797 17.376 -5.397 1.00 0.00 H new ATOM 234 N LEU A 23 1.158 12.536 2.584 1.00 0.00 N ATOM 235 CA LEU A 23 0.449 11.913 1.476 1.00 0.00 C ATOM 236 C LEU A 23 -1.038 11.782 1.800 1.00 0.00 C ATOM 237 O LEU A 23 -1.892 12.241 1.043 1.00 0.00 O ATOM 238 CB LEU A 23 1.056 10.537 1.175 1.00 0.00 C ATOM 239 CG LEU A 23 0.142 9.560 0.431 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.124 10.049 -0.984 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.757 8.169 0.411 1.00 0.00 C ATOM 0 HA LEU A 23 0.552 12.544 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.962 10.680 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.358 10.079 2.117 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.810 9.508 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.775 9.342 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.607 11.026 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.819 10.131 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.095 7.486 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.723 8.205 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.895 7.817 1.433 1.00 0.00 H new ATOM 253 N GLY A 24 -1.335 11.154 2.933 1.00 0.00 N ATOM 254 CA GLY A 24 -2.717 10.972 3.338 1.00 0.00 C ATOM 255 C GLY A 24 -3.185 9.536 3.197 1.00 0.00 C ATOM 256 O GLY A 24 -4.385 9.268 3.195 1.00 0.00 O ATOM 0 H GLY A 24 -0.645 10.768 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.832 11.287 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.356 11.619 2.736 1.00 0.00 H new ATOM 260 N CYS A 25 -2.238 8.612 3.074 1.00 0.00 N ATOM 261 CA CYS A 25 -2.566 7.199 2.927 1.00 0.00 C ATOM 262 C CYS A 25 -1.594 6.328 3.718 1.00 0.00 C ATOM 263 O CYS A 25 -0.466 6.736 3.997 1.00 0.00 O ATOM 264 CB CYS A 25 -2.545 6.805 1.447 1.00 0.00 C ATOM 265 SG CYS A 25 -2.780 5.037 1.140 1.00 0.00 S ATOM 0 H CYS A 25 -1.239 8.816 3.073 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.568 7.037 3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.325 7.359 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.593 7.113 1.015 1.00 0.00 H new ATOM 0 HG CYS A 25 -1.974 4.354 1.898 1.00 0.00 H new ATOM 271 N SER A 26 -2.039 5.128 4.070 1.00 0.00 N ATOM 272 CA SER A 26 -1.211 4.196 4.823 1.00 0.00 C ATOM 273 C SER A 26 -0.901 2.961 3.985 1.00 0.00 C ATOM 274 O SER A 26 -1.427 2.803 2.885 1.00 0.00 O ATOM 275 CB SER A 26 -1.915 3.786 6.118 1.00 0.00 C ATOM 276 OG SER A 26 -1.678 4.728 7.150 1.00 0.00 O ATOM 0 H SER A 26 -2.970 4.778 3.845 1.00 0.00 H new ATOM 0 HA SER A 26 -0.274 4.694 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.987 3.699 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.563 2.803 6.431 1.00 0.00 H new ATOM 0 HG SER A 26 -2.140 4.443 7.966 1.00 0.00 H new ATOM 282 N ILE A 27 -0.044 2.091 4.508 1.00 0.00 N ATOM 283 CA ILE A 27 0.327 0.874 3.798 1.00 0.00 C ATOM 284 C ILE A 27 0.401 -0.315 4.749 1.00 0.00 C ATOM 285 O ILE A 27 0.857 -0.189 5.885 1.00 0.00 O ATOM 286 CB ILE A 27 1.680 1.028 3.078 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.711 1.672 4.005 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.512 1.852 1.810 1.00 0.00 C ATOM 289 CD1 ILE A 27 4.067 1.856 3.360 1.00 0.00 C ATOM 0 H ILE A 27 0.405 2.205 5.417 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.450 0.695 3.054 1.00 0.00 H new ATOM 0 HB ILE A 27 2.041 0.037 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.338 2.642 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.822 1.055 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.476 1.953 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.809 1.354 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.131 2.841 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.750 2.318 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.461 0.886 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.969 2.497 2.484 1.00 0.00 H new ATOM 301 N SER A 28 -0.053 -1.470 4.274 1.00 0.00 N ATOM 302 CA SER A 28 -0.043 -2.685 5.081 1.00 0.00 C ATOM 303 C SER A 28 0.565 -3.847 4.302 1.00 0.00 C ATOM 304 O SER A 28 0.657 -3.803 3.076 1.00 0.00 O ATOM 305 CB SER A 28 -1.464 -3.040 5.523 1.00 0.00 C ATOM 306 OG SER A 28 -2.395 -2.822 4.479 1.00 0.00 O ATOM 0 H SER A 28 -0.432 -1.590 3.335 1.00 0.00 H new ATOM 0 HA SER A 28 0.569 -2.502 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.501 -4.084 5.834 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.739 -2.439 6.390 1.00 0.00 H new ATOM 0 HG SER A 28 -3.294 -3.058 4.788 1.00 0.00 H new ATOM 312 N SER A 29 0.976 -4.885 5.020 1.00 0.00 N ATOM 313 CA SER A 29 1.574 -6.058 4.392 1.00 0.00 C ATOM 314 C SER A 29 0.593 -7.224 4.378 1.00 0.00 C ATOM 315 O SER A 29 -0.201 -7.391 5.304 1.00 0.00 O ATOM 316 CB SER A 29 2.854 -6.459 5.127 1.00 0.00 C ATOM 317 OG SER A 29 3.353 -7.695 4.643 1.00 0.00 O ATOM 0 H SER A 29 0.907 -4.939 6.036 1.00 0.00 H new ATOM 0 HA SER A 29 1.822 -5.803 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.609 -5.683 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.654 -6.537 6.196 1.00 0.00 H new ATOM 0 HG SER A 29 4.172 -7.929 5.127 1.00 0.00 H new ATOM 323 N GLY A 30 0.649 -8.027 3.320 1.00 0.00 N ATOM 324 CA GLY A 30 -0.245 -9.165 3.203 1.00 0.00 C ATOM 325 C GLY A 30 0.324 -10.423 3.834 1.00 0.00 C ATOM 326 O GLY A 30 1.443 -10.413 4.346 1.00 0.00 O ATOM 0 H GLY A 30 1.298 -7.910 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.197 -8.924 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.451 -9.353 2.149 1.00 0.00 H new ATOM 330 N PRO A 31 -0.434 -11.533 3.812 1.00 0.00 N ATOM 331 CA PRO A 31 0.010 -12.805 4.389 1.00 0.00 C ATOM 332 C PRO A 31 1.113 -13.464 3.568 1.00 0.00 C ATOM 333 O PRO A 31 1.691 -12.844 2.676 1.00 0.00 O ATOM 334 CB PRO A 31 -1.257 -13.664 4.366 1.00 0.00 C ATOM 335 CG PRO A 31 -2.066 -13.110 3.246 1.00 0.00 C ATOM 336 CD PRO A 31 -1.783 -11.634 3.222 1.00 0.00 C ATOM 0 HA PRO A 31 0.437 -12.673 5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.020 -14.715 4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.795 -13.602 5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.792 -13.575 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.128 -13.301 3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.808 -11.237 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.518 -11.075 3.801 1.00 0.00 H new ATOM 344 N ILE A 32 1.400 -14.723 3.879 1.00 0.00 N ATOM 345 CA ILE A 32 2.434 -15.471 3.171 1.00 0.00 C ATOM 346 C ILE A 32 1.991 -15.820 1.753 1.00 0.00 C ATOM 347 O ILE A 32 2.820 -15.993 0.861 1.00 0.00 O ATOM 348 CB ILE A 32 2.795 -16.770 3.919 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.123 -16.470 5.382 1.00 0.00 C ATOM 350 CG2 ILE A 32 3.965 -17.467 3.240 1.00 0.00 C ATOM 351 CD1 ILE A 32 1.946 -16.651 6.315 1.00 0.00 C ATOM 0 H ILE A 32 0.931 -15.248 4.617 1.00 0.00 H new ATOM 0 HA ILE A 32 3.313 -14.829 3.124 1.00 0.00 H new ATOM 0 HB ILE A 32 1.934 -17.437 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.935 -17.121 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.485 -15.445 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.207 -18.382 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.696 -17.713 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.832 -16.806 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.252 -16.421 7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.140 -15.980 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.597 -17.682 6.265 1.00 0.00 H new ATOM 363 N GLN A 33 0.681 -15.926 1.554 1.00 0.00 N ATOM 364 CA GLN A 33 0.131 -16.259 0.245 1.00 0.00 C ATOM 365 C GLN A 33 0.322 -15.107 -0.738 1.00 0.00 C ATOM 366 O GLN A 33 0.453 -15.325 -1.943 1.00 0.00 O ATOM 367 CB GLN A 33 -1.355 -16.603 0.367 1.00 0.00 C ATOM 368 CG GLN A 33 -1.622 -17.858 1.180 1.00 0.00 C ATOM 369 CD GLN A 33 -1.940 -17.557 2.631 1.00 0.00 C ATOM 370 OE1 GLN A 33 -3.008 -17.030 2.949 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.013 -17.888 3.521 1.00 0.00 N ATOM 0 H GLN A 33 -0.019 -15.786 2.282 1.00 0.00 H new ATOM 0 HA GLN A 33 0.668 -17.127 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.877 -15.764 0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.773 -16.731 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.454 -18.404 0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.750 -18.510 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.143 -18.323 3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.171 -17.708 4.513 1.00 0.00 H new ATOM 380 N LYS A 34 0.334 -13.884 -0.219 1.00 0.00 N ATOM 381 CA LYS A 34 0.507 -12.703 -1.058 1.00 0.00 C ATOM 382 C LYS A 34 1.214 -11.586 -0.289 1.00 0.00 C ATOM 383 O LYS A 34 0.616 -10.552 0.012 1.00 0.00 O ATOM 384 CB LYS A 34 -0.849 -12.210 -1.568 1.00 0.00 C ATOM 385 CG LYS A 34 -0.794 -11.616 -2.965 1.00 0.00 C ATOM 386 CD LYS A 34 -2.120 -10.982 -3.354 1.00 0.00 C ATOM 387 CE LYS A 34 -2.945 -11.911 -4.230 1.00 0.00 C ATOM 388 NZ LYS A 34 -2.883 -11.521 -5.667 1.00 0.00 N ATOM 0 H LYS A 34 0.226 -13.684 0.775 1.00 0.00 H new ATOM 0 HA LYS A 34 1.128 -12.981 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.554 -13.042 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.236 -11.460 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.004 -10.867 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.538 -12.395 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.683 -10.733 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.936 -10.048 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.584 -12.933 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.982 -11.900 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.458 -12.179 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.251 -10.555 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.896 -11.557 -5.994 1.00 0.00 H new ATOM 402 N PRO A 35 2.504 -11.780 0.035 1.00 0.00 N ATOM 403 CA PRO A 35 3.292 -10.786 0.769 1.00 0.00 C ATOM 404 C PRO A 35 3.710 -9.616 -0.114 1.00 0.00 C ATOM 405 O PRO A 35 4.075 -9.801 -1.277 1.00 0.00 O ATOM 406 CB PRO A 35 4.515 -11.579 1.221 1.00 0.00 C ATOM 407 CG PRO A 35 4.683 -12.635 0.184 1.00 0.00 C ATOM 408 CD PRO A 35 3.295 -12.985 -0.286 1.00 0.00 C ATOM 0 HA PRO A 35 2.730 -10.337 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.398 -10.943 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.362 -12.014 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.295 -12.275 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.187 -13.509 0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.277 -13.204 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.909 -13.866 0.226 1.00 0.00 H new ATOM 416 N GLY A 36 3.659 -8.410 0.444 1.00 0.00 N ATOM 417 CA GLY A 36 4.037 -7.229 -0.307 1.00 0.00 C ATOM 418 C GLY A 36 3.507 -5.952 0.316 1.00 0.00 C ATOM 419 O GLY A 36 2.840 -5.990 1.349 1.00 0.00 O ATOM 0 H GLY A 36 3.362 -8.231 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.124 -7.175 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.662 -7.315 -1.327 1.00 0.00 H new ATOM 423 N ILE A 37 3.803 -4.821 -0.315 1.00 0.00 N ATOM 424 CA ILE A 37 3.349 -3.528 0.185 1.00 0.00 C ATOM 425 C ILE A 37 1.974 -3.178 -0.373 1.00 0.00 C ATOM 426 O ILE A 37 1.810 -2.986 -1.578 1.00 0.00 O ATOM 427 CB ILE A 37 4.338 -2.403 -0.172 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.779 -2.864 0.058 1.00 0.00 C ATOM 429 CG2 ILE A 37 4.036 -1.158 0.648 1.00 0.00 C ATOM 430 CD1 ILE A 37 6.105 -3.134 1.510 1.00 0.00 C ATOM 0 H ILE A 37 4.354 -4.773 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 37 3.289 -3.613 1.270 1.00 0.00 H new ATOM 0 HB ILE A 37 4.222 -2.158 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.958 -3.770 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.460 -2.103 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.742 -0.370 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.021 -0.821 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.128 -1.390 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.143 -3.457 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.959 -2.224 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.449 -3.917 1.891 1.00 0.00 H new ATOM 442 N PHE A 38 0.987 -3.102 0.512 1.00 0.00 N ATOM 443 CA PHE A 38 -0.379 -2.783 0.114 1.00 0.00 C ATOM 444 C PHE A 38 -0.796 -1.408 0.619 1.00 0.00 C ATOM 445 O PHE A 38 -0.036 -0.731 1.314 1.00 0.00 O ATOM 446 CB PHE A 38 -1.340 -3.853 0.629 1.00 0.00 C ATOM 447 CG PHE A 38 -1.001 -5.231 0.139 1.00 0.00 C ATOM 448 CD1 PHE A 38 0.072 -5.926 0.673 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.750 -5.829 -0.861 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.392 -7.191 0.218 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.437 -7.094 -1.319 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.364 -7.775 -0.779 1.00 0.00 C ATOM 0 H PHE A 38 1.108 -3.257 1.513 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.418 -2.764 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.330 -3.848 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.354 -3.602 0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.665 -5.474 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.589 -5.300 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.232 -7.722 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.030 -7.550 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.116 -8.764 -1.136 1.00 0.00 H new ATOM 462 N ILE A 39 -2.005 -0.995 0.253 1.00 0.00 N ATOM 463 CA ILE A 39 -2.521 0.306 0.650 1.00 0.00 C ATOM 464 C ILE A 39 -3.612 0.181 1.712 1.00 0.00 C ATOM 465 O ILE A 39 -4.499 -0.668 1.616 1.00 0.00 O ATOM 466 CB ILE A 39 -3.080 1.072 -0.570 1.00 0.00 C ATOM 467 CG1 ILE A 39 -1.939 1.467 -1.510 1.00 0.00 C ATOM 468 CG2 ILE A 39 -3.863 2.303 -0.133 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.036 2.541 -0.943 1.00 0.00 C ATOM 0 H ILE A 39 -2.645 -1.545 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.686 0.862 1.075 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.765 0.413 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.342 0.583 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.360 1.817 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.245 2.822 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.697 1.998 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.208 2.971 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.250 2.772 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.620 3.439 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.587 2.186 -0.015 1.00 0.00 H new ATOM 481 N SER A 40 -3.536 1.047 2.716 1.00 0.00 N ATOM 482 CA SER A 40 -4.507 1.067 3.802 1.00 0.00 C ATOM 483 C SER A 40 -5.438 2.268 3.661 1.00 0.00 C ATOM 484 O SER A 40 -5.442 2.941 2.632 1.00 0.00 O ATOM 485 CB SER A 40 -3.793 1.108 5.155 1.00 0.00 C ATOM 486 OG SER A 40 -4.244 0.063 6.000 1.00 0.00 O ATOM 0 H SER A 40 -2.803 1.752 2.800 1.00 0.00 H new ATOM 0 HA SER A 40 -5.103 0.156 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.717 1.020 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.971 2.071 5.635 1.00 0.00 H new ATOM 0 HG SER A 40 -4.032 0.281 6.932 1.00 0.00 H new ATOM 492 N HIS A 41 -6.226 2.527 4.701 1.00 0.00 N ATOM 493 CA HIS A 41 -7.166 3.648 4.699 1.00 0.00 C ATOM 494 C HIS A 41 -6.519 4.917 4.147 1.00 0.00 C ATOM 495 O HIS A 41 -5.351 5.198 4.417 1.00 0.00 O ATOM 496 CB HIS A 41 -7.684 3.905 6.116 1.00 0.00 C ATOM 497 CG HIS A 41 -9.114 4.347 6.159 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.986 4.627 5.162 1.00 0.00 N flip ATOM 499 CD2 HIS A 41 -9.803 4.550 7.337 1.00 0.00 C flip ATOM 500 CE1 HIS A 41 -11.172 4.988 5.749 1.00 0.00 C flip ATOM 501 NE2 HIS A 41 -11.037 4.934 7.062 1.00 0.00 N flip ATOM 0 H HIS A 41 -6.233 1.975 5.559 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.000 3.382 4.050 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.576 2.994 6.704 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.063 4.666 6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.397 4.416 8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.072 5.271 5.222 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.761 5.152 7.746 1.00 0.00 H new ATOM 510 N VAL A 42 -7.285 5.674 3.367 1.00 0.00 N ATOM 511 CA VAL A 42 -6.788 6.911 2.771 1.00 0.00 C ATOM 512 C VAL A 42 -7.575 8.120 3.266 1.00 0.00 C ATOM 513 O VAL A 42 -8.712 7.988 3.721 1.00 0.00 O ATOM 514 CB VAL A 42 -6.862 6.863 1.234 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.154 8.064 0.626 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.268 5.562 0.713 1.00 0.00 C ATOM 0 H VAL A 42 -8.253 5.453 3.133 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.746 7.010 3.077 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.910 6.902 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.217 8.012 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.630 8.981 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.107 8.061 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.328 5.545 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.225 5.490 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.825 4.719 1.121 1.00 0.00 H new ATOM 526 N LYS A 43 -6.963 9.295 3.171 1.00 0.00 N ATOM 527 CA LYS A 43 -7.606 10.530 3.607 1.00 0.00 C ATOM 528 C LYS A 43 -8.186 11.291 2.415 1.00 0.00 C ATOM 529 O LYS A 43 -7.497 11.512 1.419 1.00 0.00 O ATOM 530 CB LYS A 43 -6.603 11.415 4.352 1.00 0.00 C ATOM 531 CG LYS A 43 -6.013 10.759 5.589 1.00 0.00 C ATOM 532 CD LYS A 43 -7.020 10.709 6.727 1.00 0.00 C ATOM 533 CE LYS A 43 -7.639 9.327 6.864 1.00 0.00 C ATOM 534 NZ LYS A 43 -8.305 9.144 8.183 1.00 0.00 N ATOM 0 H LYS A 43 -6.023 9.419 2.796 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.422 10.269 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.794 11.684 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.096 12.343 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.687 9.748 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.129 11.311 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.529 10.983 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.805 11.445 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.366 9.174 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.866 8.569 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.714 8.189 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.607 9.264 8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.060 9.851 8.291 1.00 0.00 H new ATOM 548 N PRO A 44 -9.466 11.702 2.496 1.00 0.00 N ATOM 549 CA PRO A 44 -10.128 12.439 1.412 1.00 0.00 C ATOM 550 C PRO A 44 -9.362 13.695 1.008 1.00 0.00 C ATOM 551 O PRO A 44 -9.099 13.921 -0.173 1.00 0.00 O ATOM 552 CB PRO A 44 -11.488 12.815 2.009 1.00 0.00 C ATOM 553 CG PRO A 44 -11.721 11.815 3.087 1.00 0.00 C ATOM 554 CD PRO A 44 -10.367 11.482 3.642 1.00 0.00 C ATOM 0 HA PRO A 44 -10.197 11.842 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.478 13.830 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.275 12.775 1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.371 12.221 3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.211 10.924 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.109 12.123 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.320 10.453 3.998 1.00 0.00 H new ATOM 562 N GLY A 45 -9.008 14.512 1.996 1.00 0.00 N ATOM 563 CA GLY A 45 -8.278 15.736 1.722 1.00 0.00 C ATOM 564 C GLY A 45 -6.780 15.559 1.853 1.00 0.00 C ATOM 565 O GLY A 45 -6.179 15.995 2.834 1.00 0.00 O ATOM 0 H GLY A 45 -9.214 14.348 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.514 16.078 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.610 16.515 2.409 1.00 0.00 H new ATOM 569 N SER A 46 -6.174 14.916 0.860 1.00 0.00 N ATOM 570 CA SER A 46 -4.734 14.680 0.867 1.00 0.00 C ATOM 571 C SER A 46 -4.225 14.365 -0.538 1.00 0.00 C ATOM 572 O SER A 46 -4.997 14.338 -1.495 1.00 0.00 O ATOM 573 CB SER A 46 -4.395 13.532 1.815 1.00 0.00 C ATOM 574 OG SER A 46 -3.281 13.855 2.630 1.00 0.00 O ATOM 0 H SER A 46 -6.657 14.549 0.040 1.00 0.00 H new ATOM 0 HA SER A 46 -4.242 15.589 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.257 13.309 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.179 12.632 1.239 1.00 0.00 H new ATOM 0 HG SER A 46 -2.454 13.718 2.123 1.00 0.00 H new ATOM 580 N LEU A 47 -2.922 14.128 -0.650 1.00 0.00 N ATOM 581 CA LEU A 47 -2.310 13.815 -1.938 1.00 0.00 C ATOM 582 C LEU A 47 -2.758 12.445 -2.434 1.00 0.00 C ATOM 583 O LEU A 47 -3.049 12.268 -3.617 1.00 0.00 O ATOM 584 CB LEU A 47 -0.786 13.854 -1.830 1.00 0.00 C ATOM 585 CG LEU A 47 -0.193 15.236 -1.552 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.203 15.109 -0.965 1.00 0.00 C ATOM 587 CD2 LEU A 47 -0.164 16.068 -2.824 1.00 0.00 C ATOM 0 H LEU A 47 -2.270 14.146 0.134 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.635 14.568 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.476 13.175 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.361 13.473 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.826 15.743 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.609 16.102 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.155 14.550 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.847 14.583 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.261 17.048 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.447 15.565 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.179 16.188 -3.203 1.00 0.00 H new ATOM 599 N SER A 48 -2.814 11.476 -1.524 1.00 0.00 N ATOM 600 CA SER A 48 -3.229 10.123 -1.877 1.00 0.00 C ATOM 601 C SER A 48 -4.571 10.144 -2.600 1.00 0.00 C ATOM 602 O SER A 48 -4.758 9.464 -3.608 1.00 0.00 O ATOM 603 CB SER A 48 -3.326 9.252 -0.622 1.00 0.00 C ATOM 604 OG SER A 48 -3.778 10.009 0.488 1.00 0.00 O ATOM 0 H SER A 48 -2.578 11.603 -0.540 1.00 0.00 H new ATOM 0 HA SER A 48 -2.479 9.699 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.009 8.422 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.351 8.819 -0.399 1.00 0.00 H new ATOM 0 HG SER A 48 -4.664 10.380 0.292 1.00 0.00 H new ATOM 610 N ALA A 49 -5.499 10.943 -2.082 1.00 0.00 N ATOM 611 CA ALA A 49 -6.820 11.068 -2.680 1.00 0.00 C ATOM 612 C ALA A 49 -6.737 11.787 -4.018 1.00 0.00 C ATOM 613 O ALA A 49 -7.458 11.461 -4.961 1.00 0.00 O ATOM 614 CB ALA A 49 -7.752 11.817 -1.742 1.00 0.00 C ATOM 0 H ALA A 49 -5.358 11.513 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.217 10.067 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.737 11.904 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.836 11.272 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.352 12.813 -1.550 1.00 0.00 H new ATOM 620 N GLU A 50 -5.849 12.772 -4.089 1.00 0.00 N ATOM 621 CA GLU A 50 -5.660 13.550 -5.304 1.00 0.00 C ATOM 622 C GLU A 50 -5.249 12.653 -6.467 1.00 0.00 C ATOM 623 O GLU A 50 -5.658 12.870 -7.607 1.00 0.00 O ATOM 624 CB GLU A 50 -4.599 14.626 -5.075 1.00 0.00 C ATOM 625 CG GLU A 50 -5.122 15.851 -4.342 1.00 0.00 C ATOM 626 CD GLU A 50 -4.153 17.017 -4.389 1.00 0.00 C ATOM 627 OE1 GLU A 50 -3.340 17.075 -5.336 1.00 0.00 O ATOM 628 OE2 GLU A 50 -4.207 17.871 -3.480 1.00 0.00 O ATOM 0 H GLU A 50 -5.247 13.050 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.608 14.026 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.775 14.196 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.193 14.935 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.072 16.155 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.321 15.590 -3.302 1.00 0.00 H new ATOM 635 N VAL A 51 -4.439 11.643 -6.169 1.00 0.00 N ATOM 636 CA VAL A 51 -3.972 10.710 -7.185 1.00 0.00 C ATOM 637 C VAL A 51 -4.980 9.586 -7.407 1.00 0.00 C ATOM 638 O VAL A 51 -5.039 8.997 -8.486 1.00 0.00 O ATOM 639 CB VAL A 51 -2.611 10.096 -6.805 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.520 11.156 -6.836 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.685 9.435 -5.437 1.00 0.00 C ATOM 0 H VAL A 51 -4.092 11.450 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.859 11.281 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.362 9.329 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.566 10.704 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.450 11.577 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.761 11.947 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.714 9.007 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.958 10.178 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.436 8.645 -5.455 1.00 0.00 H new ATOM 651 N GLY A 52 -5.771 9.294 -6.379 1.00 0.00 N ATOM 652 CA GLY A 52 -6.766 8.243 -6.485 1.00 0.00 C ATOM 653 C GLY A 52 -6.387 7.007 -5.694 1.00 0.00 C ATOM 654 O GLY A 52 -6.595 5.882 -6.148 1.00 0.00 O ATOM 0 H GLY A 52 -5.741 9.766 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.726 8.618 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.897 7.974 -7.533 1.00 0.00 H new ATOM 658 N LEU A 53 -5.829 7.213 -4.505 1.00 0.00 N ATOM 659 CA LEU A 53 -5.421 6.106 -3.650 1.00 0.00 C ATOM 660 C LEU A 53 -6.558 5.678 -2.730 1.00 0.00 C ATOM 661 O LEU A 53 -7.222 6.513 -2.114 1.00 0.00 O ATOM 662 CB LEU A 53 -4.198 6.496 -2.818 1.00 0.00 C ATOM 663 CG LEU A 53 -2.848 6.237 -3.488 1.00 0.00 C ATOM 664 CD1 LEU A 53 -1.724 6.876 -2.688 1.00 0.00 C ATOM 665 CD2 LEU A 53 -2.612 4.741 -3.643 1.00 0.00 C ATOM 0 H LEU A 53 -5.649 8.137 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.161 5.265 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.267 7.556 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.229 5.949 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.861 6.689 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.771 6.681 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.887 7.952 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.707 6.454 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.647 4.573 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.618 4.268 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.402 4.310 -4.258 1.00 0.00 H new ATOM 677 N GLU A 54 -6.776 4.372 -2.640 1.00 0.00 N ATOM 678 CA GLU A 54 -7.831 3.825 -1.794 1.00 0.00 C ATOM 679 C GLU A 54 -7.439 2.447 -1.272 1.00 0.00 C ATOM 680 O GLU A 54 -6.526 1.811 -1.799 1.00 0.00 O ATOM 681 CB GLU A 54 -9.144 3.737 -2.573 1.00 0.00 C ATOM 682 CG GLU A 54 -10.088 4.900 -2.311 1.00 0.00 C ATOM 683 CD GLU A 54 -11.093 4.601 -1.218 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.877 3.641 -1.378 1.00 0.00 O ATOM 685 OE2 GLU A 54 -11.097 5.325 -0.199 1.00 0.00 O ATOM 0 H GLU A 54 -6.235 3.669 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.970 4.493 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.922 3.694 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.648 2.806 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.507 5.779 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.619 5.146 -3.230 1.00 0.00 H new ATOM 692 N ILE A 55 -8.133 1.989 -0.236 1.00 0.00 N ATOM 693 CA ILE A 55 -7.850 0.684 0.348 1.00 0.00 C ATOM 694 C ILE A 55 -8.007 -0.420 -0.692 1.00 0.00 C ATOM 695 O ILE A 55 -8.824 -0.313 -1.607 1.00 0.00 O ATOM 696 CB ILE A 55 -8.774 0.382 1.546 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.739 1.535 2.552 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.369 -0.924 2.215 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.599 1.298 3.776 1.00 0.00 C ATOM 0 H ILE A 55 -8.892 2.500 0.215 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.819 0.712 0.700 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.795 0.277 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.709 1.699 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.070 2.448 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.031 -1.122 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.444 -1.740 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.342 -0.847 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.525 2.156 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.637 1.164 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.255 0.403 4.295 1.00 0.00 H new ATOM 711 N GLY A 56 -7.218 -1.478 -0.551 1.00 0.00 N ATOM 712 CA GLY A 56 -7.282 -2.580 -1.491 1.00 0.00 C ATOM 713 C GLY A 56 -6.197 -2.504 -2.546 1.00 0.00 C ATOM 714 O GLY A 56 -5.833 -3.515 -3.145 1.00 0.00 O ATOM 0 H GLY A 56 -6.535 -1.592 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.193 -3.522 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.258 -2.583 -1.977 1.00 0.00 H new ATOM 718 N ASP A 57 -5.675 -1.302 -2.773 1.00 0.00 N ATOM 719 CA ASP A 57 -4.622 -1.102 -3.760 1.00 0.00 C ATOM 720 C ASP A 57 -3.318 -1.744 -3.294 1.00 0.00 C ATOM 721 O ASP A 57 -3.150 -2.036 -2.110 1.00 0.00 O ATOM 722 CB ASP A 57 -4.410 0.391 -4.013 1.00 0.00 C ATOM 723 CG ASP A 57 -5.453 0.975 -4.945 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.518 0.343 -5.114 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.207 2.064 -5.505 1.00 0.00 O ATOM 0 H ASP A 57 -5.965 -0.453 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.930 -1.579 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.437 0.925 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.419 0.547 -4.439 1.00 0.00 H new ATOM 730 N GLN A 58 -2.400 -1.963 -4.229 1.00 0.00 N ATOM 731 CA GLN A 58 -1.115 -2.572 -3.909 1.00 0.00 C ATOM 732 C GLN A 58 0.010 -1.926 -4.711 1.00 0.00 C ATOM 733 O GLN A 58 0.056 -2.043 -5.935 1.00 0.00 O ATOM 734 CB GLN A 58 -1.159 -4.076 -4.189 1.00 0.00 C ATOM 735 CG GLN A 58 0.001 -4.843 -3.576 1.00 0.00 C ATOM 736 CD GLN A 58 1.106 -5.125 -4.574 1.00 0.00 C ATOM 737 OE1 GLN A 58 2.048 -4.345 -4.712 1.00 0.00 O ATOM 738 NE2 GLN A 58 0.996 -6.246 -5.279 1.00 0.00 N ATOM 0 H GLN A 58 -2.522 -1.728 -5.214 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.918 -2.411 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.095 -4.481 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.161 -4.237 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.408 -4.273 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.366 -5.786 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.198 -6.864 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.709 -6.488 -5.967 1.00 0.00 H new ATOM 747 N ILE A 59 0.919 -1.253 -4.014 1.00 0.00 N ATOM 748 CA ILE A 59 2.043 -0.593 -4.668 1.00 0.00 C ATOM 749 C ILE A 59 3.015 -1.624 -5.231 1.00 0.00 C ATOM 750 O ILE A 59 3.601 -2.410 -4.486 1.00 0.00 O ATOM 751 CB ILE A 59 2.797 0.338 -3.697 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.816 1.275 -2.988 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.860 1.139 -4.440 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.430 2.022 -1.824 1.00 0.00 C ATOM 0 H ILE A 59 0.900 -1.150 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 59 1.635 0.009 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 59 3.294 -0.276 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.429 1.996 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.966 0.695 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.381 1.790 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.574 0.456 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.386 1.744 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.679 2.667 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.792 1.308 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.262 2.630 -2.180 1.00 0.00 H new ATOM 766 N VAL A 60 3.172 -1.622 -6.550 1.00 0.00 N ATOM 767 CA VAL A 60 4.062 -2.567 -7.212 1.00 0.00 C ATOM 768 C VAL A 60 5.377 -1.912 -7.640 1.00 0.00 C ATOM 769 O VAL A 60 6.216 -2.552 -8.271 1.00 0.00 O ATOM 770 CB VAL A 60 3.382 -3.200 -8.444 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.092 -3.902 -8.040 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.106 -2.152 -9.515 1.00 0.00 C ATOM 0 H VAL A 60 2.695 -0.977 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 60 4.286 -3.346 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 60 4.064 -3.940 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.626 -4.342 -8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.316 -4.687 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.410 -3.180 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.627 -2.625 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.448 -1.383 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.045 -1.698 -9.830 1.00 0.00 H new ATOM 782 N GLU A 61 5.555 -0.637 -7.294 1.00 0.00 N ATOM 783 CA GLU A 61 6.774 0.081 -7.653 1.00 0.00 C ATOM 784 C GLU A 61 6.781 1.489 -7.062 1.00 0.00 C ATOM 785 O GLU A 61 5.728 2.088 -6.845 1.00 0.00 O ATOM 786 CB GLU A 61 6.918 0.153 -9.174 1.00 0.00 C ATOM 787 CG GLU A 61 8.354 0.324 -9.640 1.00 0.00 C ATOM 788 CD GLU A 61 8.450 0.970 -11.009 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.465 1.611 -11.434 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.510 0.836 -11.656 1.00 0.00 O ATOM 0 H GLU A 61 4.876 -0.085 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 61 7.620 -0.467 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.508 -0.756 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.321 0.985 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.897 0.932 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.842 -0.650 -9.667 1.00 0.00 H new ATOM 797 N VAL A 62 7.980 2.011 -6.811 1.00 0.00 N ATOM 798 CA VAL A 62 8.134 3.348 -6.252 1.00 0.00 C ATOM 799 C VAL A 62 9.455 3.974 -6.690 1.00 0.00 C ATOM 800 O VAL A 62 10.520 3.606 -6.195 1.00 0.00 O ATOM 801 CB VAL A 62 8.074 3.329 -4.711 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.171 4.742 -4.148 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.800 2.643 -4.238 1.00 0.00 C ATOM 0 H VAL A 62 8.859 1.525 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 62 7.305 3.946 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 62 8.927 2.761 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.127 4.704 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.114 5.193 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.342 5.341 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.773 2.638 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.933 3.182 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.781 1.617 -4.606 1.00 0.00 H new ATOM 813 N ASN A 63 9.378 4.920 -7.620 1.00 0.00 N ATOM 814 CA ASN A 63 10.567 5.598 -8.124 1.00 0.00 C ATOM 815 C ASN A 63 11.562 4.598 -8.706 1.00 0.00 C ATOM 816 O ASN A 63 12.772 4.821 -8.678 1.00 0.00 O ATOM 817 CB ASN A 63 11.230 6.408 -7.007 1.00 0.00 C ATOM 818 CG ASN A 63 11.426 7.863 -7.385 1.00 0.00 C ATOM 819 OD1 ASN A 63 11.375 8.222 -8.561 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.650 8.710 -6.388 1.00 0.00 N ATOM 0 H ASN A 63 8.504 5.235 -8.040 1.00 0.00 H new ATOM 0 HA ASN A 63 10.257 6.276 -8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.618 6.349 -6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.196 5.965 -6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.788 9.702 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.684 8.369 -5.427 1.00 0.00 H new ATOM 827 N GLY A 64 11.044 3.491 -9.232 1.00 0.00 N ATOM 828 CA GLY A 64 11.902 2.475 -9.811 1.00 0.00 C ATOM 829 C GLY A 64 12.139 1.310 -8.870 1.00 0.00 C ATOM 830 O GLY A 64 12.371 0.184 -9.310 1.00 0.00 O ATOM 0 H GLY A 64 10.046 3.281 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.453 2.107 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.859 2.922 -10.079 1.00 0.00 H new ATOM 834 N VAL A 65 12.081 1.581 -7.569 1.00 0.00 N ATOM 835 CA VAL A 65 12.292 0.548 -6.564 1.00 0.00 C ATOM 836 C VAL A 65 11.274 -0.578 -6.711 1.00 0.00 C ATOM 837 O VAL A 65 10.065 -0.346 -6.663 1.00 0.00 O ATOM 838 CB VAL A 65 12.201 1.125 -5.138 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.594 0.075 -4.109 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.074 2.364 -5.006 1.00 0.00 C ATOM 0 H VAL A 65 11.890 2.508 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 65 13.294 0.151 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 65 11.167 1.415 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.523 0.502 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.923 -0.780 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.618 -0.250 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.997 2.757 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.111 2.102 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.740 3.121 -5.715 1.00 0.00 H new ATOM 850 N ASP A 66 11.770 -1.798 -6.888 1.00 0.00 N ATOM 851 CA ASP A 66 10.903 -2.961 -7.042 1.00 0.00 C ATOM 852 C ASP A 66 10.185 -3.283 -5.736 1.00 0.00 C ATOM 853 O ASP A 66 10.809 -3.701 -4.761 1.00 0.00 O ATOM 854 CB ASP A 66 11.715 -4.171 -7.503 1.00 0.00 C ATOM 855 CG ASP A 66 11.762 -4.298 -9.014 1.00 0.00 C ATOM 856 OD1 ASP A 66 10.713 -4.090 -9.659 1.00 0.00 O ATOM 857 OD2 ASP A 66 12.847 -4.602 -9.552 1.00 0.00 O ATOM 0 H ASP A 66 12.767 -2.007 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 66 10.154 -2.726 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.731 -4.091 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.283 -5.077 -7.079 1.00 0.00 H new ATOM 862 N PHE A 67 8.872 -3.085 -5.724 1.00 0.00 N ATOM 863 CA PHE A 67 8.068 -3.353 -4.537 1.00 0.00 C ATOM 864 C PHE A 67 7.551 -4.793 -4.528 1.00 0.00 C ATOM 865 O PHE A 67 6.888 -5.214 -3.580 1.00 0.00 O ATOM 866 CB PHE A 67 6.893 -2.376 -4.463 1.00 0.00 C ATOM 867 CG PHE A 67 7.141 -1.204 -3.557 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.365 -0.554 -3.562 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.151 -0.754 -2.698 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.595 0.526 -2.731 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.376 0.325 -1.864 1.00 0.00 C ATOM 872 CZ PHE A 67 7.599 0.966 -1.881 1.00 0.00 C ATOM 0 H PHE A 67 8.341 -2.740 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 67 8.706 -3.216 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.673 -2.009 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.008 -2.911 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.148 -0.895 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.193 -1.252 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.552 1.025 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.596 0.666 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.776 1.810 -1.231 1.00 0.00 H new ATOM 882 N SER A 68 7.855 -5.544 -5.585 1.00 0.00 N ATOM 883 CA SER A 68 7.415 -6.931 -5.685 1.00 0.00 C ATOM 884 C SER A 68 7.959 -7.762 -4.526 1.00 0.00 C ATOM 885 O SER A 68 7.248 -8.588 -3.955 1.00 0.00 O ATOM 886 CB SER A 68 7.866 -7.536 -7.015 1.00 0.00 C ATOM 887 OG SER A 68 7.355 -8.848 -7.180 1.00 0.00 O ATOM 0 H SER A 68 8.402 -5.215 -6.381 1.00 0.00 H new ATOM 0 HA SER A 68 6.326 -6.943 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.529 -6.905 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.955 -7.559 -7.057 1.00 0.00 H new ATOM 0 HG SER A 68 7.657 -9.211 -8.039 1.00 0.00 H new ATOM 893 N ASN A 69 9.224 -7.536 -4.185 1.00 0.00 N ATOM 894 CA ASN A 69 9.864 -8.263 -3.095 1.00 0.00 C ATOM 895 C ASN A 69 10.473 -7.299 -2.081 1.00 0.00 C ATOM 896 O ASN A 69 11.485 -7.603 -1.451 1.00 0.00 O ATOM 897 CB ASN A 69 10.942 -9.199 -3.642 1.00 0.00 C ATOM 898 CG ASN A 69 10.872 -10.584 -3.030 1.00 0.00 C ATOM 899 OD1 ASN A 69 11.439 -10.834 -1.965 1.00 0.00 O ATOM 900 ND2 ASN A 69 10.174 -11.493 -3.700 1.00 0.00 N ATOM 0 H ASN A 69 9.826 -6.855 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 69 9.102 -8.857 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.836 -9.277 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.925 -8.769 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.091 -12.442 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.721 -11.242 -4.579 1.00 0.00 H new ATOM 907 N LEU A 70 9.849 -6.134 -1.930 1.00 0.00 N ATOM 908 CA LEU A 70 10.330 -5.126 -0.993 1.00 0.00 C ATOM 909 C LEU A 70 9.724 -5.336 0.390 1.00 0.00 C ATOM 910 O LEU A 70 8.588 -5.791 0.518 1.00 0.00 O ATOM 911 CB LEU A 70 9.991 -3.723 -1.504 1.00 0.00 C ATOM 912 CG LEU A 70 10.611 -2.576 -0.700 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.747 -1.928 -1.477 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.554 -1.541 -0.341 1.00 0.00 C ATOM 0 H LEU A 70 9.010 -5.866 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 70 11.413 -5.225 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.320 -3.640 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.908 -3.604 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 70 11.018 -2.988 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.174 -1.116 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.518 -2.671 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.365 -1.532 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.014 -0.734 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.116 -1.136 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.774 -2.010 0.258 1.00 0.00 H new ATOM 926 N ASP A 71 10.489 -4.999 1.423 1.00 0.00 N ATOM 927 CA ASP A 71 10.026 -5.150 2.797 1.00 0.00 C ATOM 928 C ASP A 71 9.147 -3.972 3.206 1.00 0.00 C ATOM 929 O ASP A 71 9.176 -2.914 2.577 1.00 0.00 O ATOM 930 CB ASP A 71 11.217 -5.266 3.750 1.00 0.00 C ATOM 931 CG ASP A 71 10.893 -6.084 4.984 1.00 0.00 C ATOM 932 OD1 ASP A 71 11.064 -7.321 4.938 1.00 0.00 O ATOM 933 OD2 ASP A 71 10.467 -5.490 5.996 1.00 0.00 O ATOM 0 H ASP A 71 11.432 -4.620 1.335 1.00 0.00 H new ATOM 0 HA ASP A 71 9.433 -6.063 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.056 -5.723 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.535 -4.268 4.052 1.00 0.00 H new ATOM 938 N HIS A 72 8.365 -4.163 4.265 1.00 0.00 N ATOM 939 CA HIS A 72 7.476 -3.117 4.758 1.00 0.00 C ATOM 940 C HIS A 72 8.264 -1.868 5.140 1.00 0.00 C ATOM 941 O HIS A 72 7.933 -0.760 4.719 1.00 0.00 O ATOM 942 CB HIS A 72 6.680 -3.620 5.961 1.00 0.00 C ATOM 943 CG HIS A 72 5.425 -2.844 6.216 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.227 -3.440 6.554 1.00 0.00 N ATOM 945 CD2 HIS A 72 5.182 -1.512 6.181 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.304 -2.509 6.713 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.858 -1.332 6.493 1.00 0.00 N ATOM 0 H HIS A 72 8.329 -5.032 4.798 1.00 0.00 H new ATOM 0 HA HIS A 72 6.784 -2.857 3.957 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.424 -4.668 5.804 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.311 -3.575 6.848 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.078 -4.443 6.664 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.897 -0.736 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.271 -2.682 6.978 1.00 0.00 H new ATOM 956 N LYS A 73 9.307 -2.055 5.942 1.00 0.00 N ATOM 957 CA LYS A 73 10.143 -0.943 6.382 1.00 0.00 C ATOM 958 C LYS A 73 10.768 -0.226 5.188 1.00 0.00 C ATOM 959 O LYS A 73 10.855 1.000 5.166 1.00 0.00 O ATOM 960 CB LYS A 73 11.241 -1.443 7.321 1.00 0.00 C ATOM 961 CG LYS A 73 10.707 -2.144 8.561 1.00 0.00 C ATOM 962 CD LYS A 73 11.835 -2.672 9.432 1.00 0.00 C ATOM 963 CE LYS A 73 11.334 -3.715 10.417 1.00 0.00 C ATOM 964 NZ LYS A 73 11.309 -5.079 9.819 1.00 0.00 N ATOM 0 H LYS A 73 9.594 -2.966 6.301 1.00 0.00 H new ATOM 0 HA LYS A 73 9.510 -0.236 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.889 -2.129 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.858 -0.598 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.095 -1.450 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.059 -2.969 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.610 -3.108 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.294 -1.846 9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.974 -3.717 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.332 -3.447 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.961 -5.761 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.679 -5.084 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.270 -5.346 9.524 1.00 0.00 H new ATOM 978 N GLU A 74 11.197 -1.002 4.198 1.00 0.00 N ATOM 979 CA GLU A 74 11.811 -0.440 3.002 1.00 0.00 C ATOM 980 C GLU A 74 10.829 0.464 2.261 1.00 0.00 C ATOM 981 O GLU A 74 11.191 1.550 1.807 1.00 0.00 O ATOM 982 CB GLU A 74 12.292 -1.562 2.076 1.00 0.00 C ATOM 983 CG GLU A 74 13.798 -1.763 2.098 1.00 0.00 C ATOM 984 CD GLU A 74 14.213 -2.975 2.906 1.00 0.00 C ATOM 985 OE1 GLU A 74 14.179 -2.898 4.153 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.572 -4.003 2.294 1.00 0.00 O ATOM 0 H GLU A 74 11.131 -2.020 4.201 1.00 0.00 H new ATOM 0 HA GLU A 74 12.668 0.160 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.805 -2.494 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.978 -1.340 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.161 -1.871 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.273 -0.874 2.513 1.00 0.00 H new ATOM 993 N ALA A 75 9.586 0.009 2.145 1.00 0.00 N ATOM 994 CA ALA A 75 8.553 0.777 1.461 1.00 0.00 C ATOM 995 C ALA A 75 8.333 2.125 2.138 1.00 0.00 C ATOM 996 O ALA A 75 8.228 3.156 1.475 1.00 0.00 O ATOM 997 CB ALA A 75 7.254 -0.015 1.415 1.00 0.00 C ATOM 0 H ALA A 75 9.270 -0.887 2.516 1.00 0.00 H new ATOM 0 HA ALA A 75 8.887 0.965 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.490 0.569 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.417 -0.950 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.924 -0.232 2.431 1.00 0.00 H new ATOM 1003 N VAL A 76 8.265 2.109 3.465 1.00 0.00 N ATOM 1004 CA VAL A 76 8.059 3.330 4.232 1.00 0.00 C ATOM 1005 C VAL A 76 9.293 4.224 4.182 1.00 0.00 C ATOM 1006 O VAL A 76 9.186 5.438 4.011 1.00 0.00 O ATOM 1007 CB VAL A 76 7.718 3.020 5.703 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.409 4.299 6.466 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.553 2.046 5.786 1.00 0.00 C ATOM 0 H VAL A 76 8.350 1.264 4.030 1.00 0.00 H new ATOM 0 HA VAL A 76 7.218 3.852 3.777 1.00 0.00 H new ATOM 0 HB VAL A 76 8.588 2.553 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.171 4.056 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.277 4.958 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.557 4.800 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.326 1.838 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.678 2.483 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.819 1.117 5.281 1.00 0.00 H new ATOM 1019 N ASN A 77 10.466 3.618 4.336 1.00 0.00 N ATOM 1020 CA ASN A 77 11.722 4.362 4.311 1.00 0.00 C ATOM 1021 C ASN A 77 11.854 5.182 3.032 1.00 0.00 C ATOM 1022 O ASN A 77 12.101 6.386 3.082 1.00 0.00 O ATOM 1023 CB ASN A 77 12.908 3.404 4.446 1.00 0.00 C ATOM 1024 CG ASN A 77 13.970 3.930 5.391 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.757 4.917 6.094 1.00 0.00 O ATOM 1026 ND2 ASN A 77 15.124 3.273 5.409 1.00 0.00 N ATOM 0 H ASN A 77 10.574 2.614 4.479 1.00 0.00 H new ATOM 0 HA ASN A 77 11.721 5.051 5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.552 2.438 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.350 3.236 3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.877 3.582 6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.257 2.459 4.809 1.00 0.00 H new ATOM 1033 N VAL A 78 11.692 4.525 1.888 1.00 0.00 N ATOM 1034 CA VAL A 78 11.797 5.202 0.602 1.00 0.00 C ATOM 1035 C VAL A 78 10.730 6.285 0.462 1.00 0.00 C ATOM 1036 O VAL A 78 11.020 7.406 0.044 1.00 0.00 O ATOM 1037 CB VAL A 78 11.672 4.210 -0.570 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.823 3.220 -0.553 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.336 3.485 -0.520 1.00 0.00 C ATOM 0 H VAL A 78 11.488 3.528 1.826 1.00 0.00 H new ATOM 0 HA VAL A 78 12.784 5.664 0.567 1.00 0.00 H new ATOM 0 HB VAL A 78 11.717 4.772 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.719 2.527 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.767 3.758 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.811 2.664 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.268 2.789 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.256 2.935 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.525 4.211 -0.585 1.00 0.00 H new ATOM 1049 N LEU A 79 9.496 5.942 0.820 1.00 0.00 N ATOM 1050 CA LEU A 79 8.387 6.885 0.738 1.00 0.00 C ATOM 1051 C LEU A 79 8.602 8.054 1.697 1.00 0.00 C ATOM 1052 O LEU A 79 8.178 9.179 1.427 1.00 0.00 O ATOM 1053 CB LEU A 79 7.066 6.181 1.062 1.00 0.00 C ATOM 1054 CG LEU A 79 6.282 5.671 -0.151 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.696 6.832 -0.938 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.173 4.819 -1.043 1.00 0.00 C ATOM 0 H LEU A 79 9.240 5.019 1.169 1.00 0.00 H new ATOM 0 HA LEU A 79 8.343 7.272 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.275 5.337 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.433 6.871 1.619 1.00 0.00 H new ATOM 0 HG LEU A 79 5.461 5.052 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.143 6.448 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.023 7.402 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.501 7.479 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.599 4.466 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.016 5.416 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.544 3.964 -0.477 1.00 0.00 H new ATOM 1068 N LYS A 80 9.266 7.780 2.816 1.00 0.00 N ATOM 1069 CA LYS A 80 9.541 8.806 3.817 1.00 0.00 C ATOM 1070 C LYS A 80 10.775 9.618 3.438 1.00 0.00 C ATOM 1071 O LYS A 80 10.871 10.804 3.752 1.00 0.00 O ATOM 1072 CB LYS A 80 9.743 8.165 5.192 1.00 0.00 C ATOM 1073 CG LYS A 80 8.479 8.115 6.036 1.00 0.00 C ATOM 1074 CD LYS A 80 7.332 7.449 5.292 1.00 0.00 C ATOM 1075 CE LYS A 80 6.029 7.553 6.068 1.00 0.00 C ATOM 1076 NZ LYS A 80 6.220 7.268 7.518 1.00 0.00 N ATOM 0 H LYS A 80 9.624 6.855 3.053 1.00 0.00 H new ATOM 0 HA LYS A 80 8.683 9.477 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.120 7.151 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.509 8.721 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.679 7.571 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.190 9.127 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.212 7.915 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.570 6.400 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.613 8.553 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.303 6.854 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.338 6.886 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.984 6.572 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.471 8.147 8.014 1.00 0.00 H new ATOM 1090 N SER A 81 11.722 8.967 2.768 1.00 0.00 N ATOM 1091 CA SER A 81 12.954 9.625 2.349 1.00 0.00 C ATOM 1092 C SER A 81 12.675 10.700 1.304 1.00 0.00 C ATOM 1093 O SER A 81 12.851 11.891 1.562 1.00 0.00 O ATOM 1094 CB SER A 81 13.940 8.597 1.792 1.00 0.00 C ATOM 1095 OG SER A 81 15.146 8.589 2.536 1.00 0.00 O ATOM 0 H SER A 81 11.659 7.984 2.504 1.00 0.00 H new ATOM 0 HA SER A 81 13.394 10.105 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.488 7.605 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.155 8.824 0.748 1.00 0.00 H new ATOM 0 HG SER A 81 15.758 7.922 2.160 1.00 0.00 H new ATOM 1101 N SER A 82 12.244 10.273 0.124 1.00 0.00 N ATOM 1102 CA SER A 82 11.947 11.201 -0.962 1.00 0.00 C ATOM 1103 C SER A 82 10.556 11.807 -0.800 1.00 0.00 C ATOM 1104 O SER A 82 9.585 11.096 -0.539 1.00 0.00 O ATOM 1105 CB SER A 82 12.052 10.489 -2.312 1.00 0.00 C ATOM 1106 OG SER A 82 13.342 10.656 -2.877 1.00 0.00 O ATOM 0 H SER A 82 12.092 9.291 -0.106 1.00 0.00 H new ATOM 0 HA SER A 82 12.679 12.008 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.842 9.427 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.299 10.883 -2.994 1.00 0.00 H new ATOM 0 HG SER A 82 13.385 10.191 -3.738 1.00 0.00 H new ATOM 1112 N ARG A 83 10.467 13.123 -0.962 1.00 0.00 N ATOM 1113 CA ARG A 83 9.195 13.825 -0.837 1.00 0.00 C ATOM 1114 C ARG A 83 8.335 13.602 -2.077 1.00 0.00 C ATOM 1115 O ARG A 83 7.209 13.111 -1.985 1.00 0.00 O ATOM 1116 CB ARG A 83 9.431 15.323 -0.626 1.00 0.00 C ATOM 1117 CG ARG A 83 9.431 15.739 0.837 1.00 0.00 C ATOM 1118 CD ARG A 83 10.065 17.108 1.029 1.00 0.00 C ATOM 1119 NE ARG A 83 9.285 17.951 1.932 1.00 0.00 N ATOM 1120 CZ ARG A 83 9.284 17.819 3.255 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.017 16.877 3.835 1.00 0.00 N ATOM 1122 NH2 ARG A 83 8.548 18.630 4.002 1.00 0.00 N ATOM 0 H ARG A 83 11.261 13.725 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 83 8.668 13.425 0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.386 15.598 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.659 15.882 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.407 15.756 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.974 15.000 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.073 16.988 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.159 17.603 0.062 1.00 0.00 H new ATOM 0 HE ARG A 83 8.707 18.685 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.585 16.250 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.012 16.780 4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.982 19.356 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.548 18.528 5.017 1.00 0.00 H new ATOM 1136 N SER A 84 8.877 13.961 -3.237 1.00 0.00 N ATOM 1137 CA SER A 84 8.162 13.796 -4.497 1.00 0.00 C ATOM 1138 C SER A 84 8.634 12.541 -5.224 1.00 0.00 C ATOM 1139 O SER A 84 9.658 12.556 -5.907 1.00 0.00 O ATOM 1140 CB SER A 84 8.365 15.023 -5.387 1.00 0.00 C ATOM 1141 OG SER A 84 7.376 16.006 -5.136 1.00 0.00 O ATOM 0 H SER A 84 9.808 14.368 -3.330 1.00 0.00 H new ATOM 0 HA SER A 84 7.100 13.690 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.354 15.445 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.329 14.726 -6.435 1.00 0.00 H new ATOM 0 HG SER A 84 7.609 16.833 -5.608 1.00 0.00 H new ATOM 1147 N LEU A 85 7.884 11.453 -5.068 1.00 0.00 N ATOM 1148 CA LEU A 85 8.233 10.189 -5.708 1.00 0.00 C ATOM 1149 C LEU A 85 7.033 9.584 -6.430 1.00 0.00 C ATOM 1150 O LEU A 85 5.907 9.635 -5.936 1.00 0.00 O ATOM 1151 CB LEU A 85 8.770 9.193 -4.673 1.00 0.00 C ATOM 1152 CG LEU A 85 8.344 9.455 -3.226 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.854 9.207 -3.056 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.143 8.580 -2.270 1.00 0.00 C ATOM 0 H LEU A 85 7.034 11.422 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 85 9.010 10.396 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.444 8.192 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.859 9.198 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 85 8.548 10.499 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.569 9.398 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.297 9.873 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.626 8.172 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.828 8.779 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.969 7.530 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.205 8.804 -2.373 1.00 0.00 H new ATOM 1166 N THR A 86 7.287 9.003 -7.597 1.00 0.00 N ATOM 1167 CA THR A 86 6.233 8.376 -8.384 1.00 0.00 C ATOM 1168 C THR A 86 6.147 6.888 -8.062 1.00 0.00 C ATOM 1169 O THR A 86 7.164 6.196 -8.015 1.00 0.00 O ATOM 1170 CB THR A 86 6.493 8.575 -9.879 1.00 0.00 C ATOM 1171 OG1 THR A 86 6.655 9.949 -10.181 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.381 8.039 -10.756 1.00 0.00 C ATOM 0 H THR A 86 8.214 8.953 -8.019 1.00 0.00 H new ATOM 0 HA THR A 86 5.284 8.847 -8.128 1.00 0.00 H new ATOM 0 HB THR A 86 7.403 8.015 -10.092 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.822 10.056 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.628 8.212 -11.803 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.264 6.969 -10.583 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.449 8.549 -10.514 1.00 0.00 H new ATOM 1180 N ILE A 87 4.932 6.400 -7.835 1.00 0.00 N ATOM 1181 CA ILE A 87 4.731 4.993 -7.512 1.00 0.00 C ATOM 1182 C ILE A 87 3.736 4.333 -8.461 1.00 0.00 C ATOM 1183 O ILE A 87 2.722 4.925 -8.828 1.00 0.00 O ATOM 1184 CB ILE A 87 4.244 4.804 -6.058 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.844 5.405 -5.864 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.241 5.414 -5.080 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.811 6.918 -5.881 1.00 0.00 C ATOM 0 H ILE A 87 4.077 6.955 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 87 5.703 4.512 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 87 4.176 3.735 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.188 5.030 -6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.439 5.054 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.883 5.273 -4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.209 4.927 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.345 6.480 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.786 7.261 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.439 7.305 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.184 7.279 -6.839 1.00 0.00 H new ATOM 1199 N SER A 88 4.035 3.096 -8.846 1.00 0.00 N ATOM 1200 CA SER A 88 3.167 2.344 -9.744 1.00 0.00 C ATOM 1201 C SER A 88 2.332 1.341 -8.959 1.00 0.00 C ATOM 1202 O SER A 88 2.850 0.347 -8.452 1.00 0.00 O ATOM 1203 CB SER A 88 3.998 1.616 -10.804 1.00 0.00 C ATOM 1204 OG SER A 88 5.090 2.412 -11.231 1.00 0.00 O ATOM 0 H SER A 88 4.872 2.594 -8.550 1.00 0.00 H new ATOM 0 HA SER A 88 2.498 3.045 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.367 0.674 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.368 1.369 -11.658 1.00 0.00 H new ATOM 0 HG SER A 88 5.815 1.832 -11.545 1.00 0.00 H new ATOM 1210 N ILE A 89 1.037 1.615 -8.853 1.00 0.00 N ATOM 1211 CA ILE A 89 0.128 0.741 -8.121 1.00 0.00 C ATOM 1212 C ILE A 89 -0.865 0.071 -9.064 1.00 0.00 C ATOM 1213 O ILE A 89 -1.268 0.649 -10.070 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.644 1.526 -7.037 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.647 0.615 -6.313 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.340 2.734 -7.649 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.043 0.629 -6.903 1.00 0.00 C ATOM 0 H ILE A 89 0.593 2.436 -9.265 1.00 0.00 H new ATOM 0 HA ILE A 89 0.734 -0.026 -7.640 1.00 0.00 H new ATOM 0 HB ILE A 89 0.071 1.886 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.269 -0.407 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.704 0.917 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.879 3.276 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.597 3.391 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.043 2.401 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.686 -0.041 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.445 1.641 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.003 0.297 -7.940 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.260 -1.152 -8.728 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.211 -1.898 -9.541 1.00 0.00 C ATOM 1231 C VAL A 90 -3.506 -2.135 -8.772 1.00 0.00 C ATOM 1232 O VAL A 90 -3.498 -2.698 -7.677 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.630 -3.252 -9.987 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.580 -3.953 -10.946 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.260 -3.063 -10.623 1.00 0.00 C ATOM 0 H VAL A 90 -0.936 -1.647 -7.897 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.418 -1.298 -10.427 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.512 -3.883 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.151 -4.908 -11.250 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.536 -4.125 -10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.735 -3.329 -11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.134 -4.031 -10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.350 -2.413 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.417 -2.609 -9.900 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.616 -1.691 -9.349 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.920 -1.842 -8.716 1.00 0.00 C ATOM 1247 C ALA A 91 -6.304 -3.310 -8.555 1.00 0.00 C ATOM 1248 O ALA A 91 -6.162 -4.106 -9.483 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.980 -1.107 -9.523 1.00 0.00 C ATOM 0 H ALA A 91 -4.639 -1.223 -10.255 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.858 -1.406 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.951 -1.226 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.728 -0.048 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.021 -1.520 -10.531 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.805 -3.650 -7.366 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.237 -5.014 -7.052 1.00 0.00 C ATOM 1257 C ALA A 92 -6.079 -5.908 -6.608 1.00 0.00 C ATOM 1258 O ALA A 92 -6.303 -6.961 -6.010 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.966 -5.639 -8.235 1.00 0.00 C ATOM 0 H ALA A 92 -6.923 -2.991 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.926 -4.937 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.277 -6.651 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.844 -5.041 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.299 -5.672 -9.097 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.844 -5.498 -6.892 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.677 -6.281 -6.502 1.00 0.00 C ATOM 1267 C ALA A 93 -3.659 -6.530 -4.993 1.00 0.00 C ATOM 1268 O ALA A 93 -2.994 -7.447 -4.512 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.402 -5.577 -6.938 1.00 0.00 C ATOM 0 H ALA A 93 -4.628 -4.633 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.735 -7.248 -7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.538 -6.172 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.405 -5.457 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.348 -4.597 -6.465 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.392 -5.703 -4.255 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.455 -5.833 -2.813 1.00 0.00 C ATOM 1277 C GLY A 94 -5.826 -6.261 -2.322 1.00 0.00 C ATOM 1278 O GLY A 94 -5.949 -6.912 -1.286 1.00 0.00 O ATOM 0 H GLY A 94 -4.949 -4.938 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.713 -6.561 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.191 -4.880 -2.355 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.861 -5.868 -3.060 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.237 -6.185 -2.691 1.00 0.00 C ATOM 1284 C ARG A 95 -8.443 -7.688 -2.526 1.00 0.00 C ATOM 1285 O ARG A 95 -9.218 -8.124 -1.676 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.206 -5.633 -3.746 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.399 -6.544 -4.952 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.452 -5.993 -5.902 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.268 -7.056 -6.487 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.497 -6.872 -6.966 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -13.055 -5.668 -6.941 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.169 -7.897 -7.475 1.00 0.00 N ATOM 0 H ARG A 95 -6.772 -5.327 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.441 -5.713 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.175 -5.458 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.839 -4.666 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.452 -6.655 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.695 -7.538 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.095 -5.295 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.964 -5.430 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.872 -7.995 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.542 -4.876 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.997 -5.535 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.744 -8.824 -7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.110 -7.758 -7.842 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.750 -8.479 -3.339 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.869 -9.933 -3.270 1.00 0.00 C ATOM 1308 C GLU A 96 -7.738 -10.419 -1.828 1.00 0.00 C ATOM 1309 O GLU A 96 -8.569 -11.185 -1.341 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.805 -10.596 -4.145 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.312 -11.814 -4.901 1.00 0.00 C ATOM 1312 CD GLU A 96 -7.835 -11.467 -6.282 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -7.165 -10.688 -6.992 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -8.914 -11.974 -6.653 1.00 0.00 O ATOM 0 H GLU A 96 -7.103 -8.140 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.855 -10.211 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.428 -9.865 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.964 -10.892 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.505 -12.541 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.105 -12.290 -4.325 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.692 -9.960 -1.150 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.452 -10.336 0.238 1.00 0.00 C ATOM 1323 C LEU A 97 -7.466 -9.674 1.167 1.00 0.00 C ATOM 1324 O LEU A 97 -8.049 -10.328 2.033 1.00 0.00 O ATOM 1325 CB LEU A 97 -5.031 -9.947 0.653 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.940 -10.337 -0.343 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.675 -9.532 -0.090 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.651 -11.827 -0.263 1.00 0.00 C ATOM 0 H LEU A 97 -5.995 -9.325 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.566 -11.417 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.995 -8.868 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.809 -10.412 1.614 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.296 -10.111 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.909 -9.823 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.892 -8.469 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.317 -9.726 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.871 -12.085 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.317 -12.079 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.557 -12.386 -0.495 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.668 -8.372 0.983 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.607 -7.611 1.805 1.00 0.00 C ATOM 1342 C PHE A 98 -9.965 -8.309 1.888 1.00 0.00 C ATOM 1343 O PHE A 98 -10.694 -8.149 2.866 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.783 -6.201 1.240 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.855 -5.191 1.853 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -6.564 -5.037 1.374 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -8.274 -4.397 2.908 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -5.709 -4.109 1.936 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -7.422 -3.467 3.474 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.137 -3.323 2.987 1.00 0.00 C ATOM 0 H PHE A 98 -7.193 -7.820 0.269 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.193 -7.548 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.619 -6.227 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.813 -5.880 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -6.223 -5.649 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.277 -4.506 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.705 -3.998 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.760 -2.854 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.469 -2.597 3.427 1.00 0.00 H new ATOM 1454 N ILE B 115 0.872 -1.780 9.910 1.00 0.00 N ATOM 1455 CA ILE B 115 0.330 -0.670 9.134 1.00 0.00 C ATOM 1456 C ILE B 115 1.088 0.621 9.419 1.00 0.00 C ATOM 1457 O ILE B 115 1.209 1.040 10.571 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.165 -0.451 9.434 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -1.924 -1.778 9.357 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.758 0.562 8.465 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.382 -1.663 9.746 1.00 0.00 C ATOM 0 HA ILE B 115 0.447 -0.933 8.083 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.263 -0.057 10.446 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.857 -2.167 8.341 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.438 -2.504 10.009 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.815 0.706 8.690 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.233 1.512 8.566 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.651 0.195 7.444 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.858 -2.641 9.668 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.458 -1.303 10.772 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -3.883 -0.962 9.078 1.00 0.00 H new ATOM 1473 N THR B 116 1.596 1.250 8.363 1.00 0.00 N ATOM 1474 CA THR B 116 2.344 2.493 8.500 1.00 0.00 C ATOM 1475 C THR B 116 1.592 3.654 7.855 1.00 0.00 C ATOM 1476 O THR B 116 0.837 3.464 6.901 1.00 0.00 O ATOM 1477 CB THR B 116 3.729 2.353 7.866 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.406 1.225 8.390 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.613 3.561 8.086 1.00 0.00 C ATOM 0 H THR B 116 1.502 0.918 7.403 1.00 0.00 H new ATOM 0 HA THR B 116 2.459 2.703 9.563 1.00 0.00 H new ATOM 0 HB THR B 116 3.549 2.246 6.796 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.252 0.452 7.808 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.580 3.396 7.611 1.00 0.00 H new ATOM 0 HG22 THR B 116 4.141 4.442 7.651 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.756 3.717 9.155 1.00 0.00 H new ATOM 1487 N GLU B 117 1.804 4.855 8.383 1.00 0.00 N ATOM 1488 CA GLU B 117 1.146 6.047 7.860 1.00 0.00 C ATOM 1489 C GLU B 117 2.107 6.872 7.012 1.00 0.00 C ATOM 1490 O GLU B 117 3.258 7.092 7.395 1.00 0.00 O ATOM 1491 CB GLU B 117 0.598 6.898 9.008 1.00 0.00 C ATOM 1492 CG GLU B 117 -0.771 6.452 9.495 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.307 7.331 10.609 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.764 7.264 11.732 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.270 8.087 10.357 1.00 0.00 O ATOM 0 H GLU B 117 2.426 5.029 9.172 1.00 0.00 H new ATOM 0 HA GLU B 117 0.318 5.726 7.228 1.00 0.00 H new ATOM 0 HB2 GLU B 117 1.300 6.864 9.841 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.538 7.937 8.683 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.471 6.463 8.660 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -0.710 5.422 9.847 1.00 0.00 H new ATOM 1502 N LEU B 118 1.630 7.327 5.858 1.00 0.00 N ATOM 1503 CA LEU B 118 2.448 8.128 4.953 1.00 0.00 C ATOM 1504 C LEU B 118 1.822 9.499 4.723 1.00 0.00 C ATOM 1505 O LEU B 118 0.576 9.579 4.673 1.00 0.00 O ATOM 1506 CB LEU B 118 2.625 7.403 3.618 1.00 0.00 C ATOM 1507 CG LEU B 118 3.241 6.005 3.718 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.469 5.015 2.858 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.707 6.038 3.309 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.583 10.482 4.596 1.00 0.00 O ATOM 0 H LEU B 118 0.681 7.155 5.527 1.00 0.00 H new ATOM 0 HA LEU B 118 3.425 8.269 5.414 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.652 7.321 3.134 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.253 8.015 2.970 1.00 0.00 H new ATOM 0 HG LEU B 118 3.179 5.677 4.756 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.923 4.028 2.943 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.434 4.969 3.196 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.496 5.338 1.817 1.00 0.00 H new ATOM 0 HD21 LEU B 118 5.129 5.036 3.386 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.790 6.388 2.280 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.253 6.713 3.967 1.00 0.00 H new