USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 428 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 21 ASN : amide:sc= 0.602 K(o=-3.1,f=-6.4) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.73! C(o=-3.1!,f=-11!) USER MOD Set 2.1: A 40 GLN : amide:sc= -2.02! C(o=-4.2!,f=-1.8!) USER MOD Set 2.2: A 43 ASN : amide:sc= -2.14! K(o=-4.2!,f=-0.73) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.0067 (180deg=-0.169) USER MOD Single : A 6 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 175:sc= -10.2! (180deg=-11!) USER MOD Single : A 23 ASN : amide:sc= -1.66 K(o=-1.7,f=-8.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.39) USER MOD Single : A 32 ASN : amide:sc= -0.494 K(o=-0.49,f=-6.8!) USER MOD Single : A 33 SER OG : rot 75:sc= 1.04 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 90:sc= -1.65 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.717 (180deg=-0.861) USER MOD Single : A 55 GLN : amide:sc= -4.47! C(o=-4.5!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.722 -13.146 9.073 1.00 0.00 N ATOM 46 CA LYS A 4 0.480 -12.650 8.413 1.00 0.00 C ATOM 47 C LYS A 4 0.219 -11.304 7.752 1.00 0.00 C ATOM 48 O LYS A 4 1.072 -10.772 7.036 1.00 0.00 O ATOM 49 CB LYS A 4 0.951 -13.664 7.369 1.00 0.00 C ATOM 50 CG LYS A 4 1.088 -15.033 8.036 1.00 0.00 C ATOM 51 CD LYS A 4 1.603 -16.063 7.030 1.00 0.00 C ATOM 52 CE LYS A 4 1.570 -17.447 7.680 1.00 0.00 C ATOM 53 NZ LYS A 4 0.167 -17.951 7.714 1.00 0.00 N ATOM 0 HA LYS A 4 1.258 -12.516 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.239 -13.715 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.906 -13.353 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.773 -14.966 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.123 -15.351 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.986 -16.054 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.619 -15.815 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.202 -18.137 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.973 -17.394 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.170 -18.975 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.358 -17.466 8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.291 -17.765 6.799 1.00 0.00 H new ATOM 67 N PHE A 5 -0.975 -10.773 7.988 1.00 0.00 N ATOM 68 CA PHE A 5 -1.381 -9.502 7.411 1.00 0.00 C ATOM 69 C PHE A 5 -0.393 -8.394 7.714 1.00 0.00 C ATOM 70 O PHE A 5 0.092 -7.724 6.812 1.00 0.00 O ATOM 71 CB PHE A 5 -2.694 -9.059 8.044 1.00 0.00 C ATOM 72 CG PHE A 5 -3.886 -9.704 7.387 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.903 -11.084 7.130 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.990 -8.910 7.049 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.031 -11.660 6.529 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.109 -9.486 6.450 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.133 -10.856 6.189 1.00 0.00 C ATOM 0 H PHE A 5 -1.682 -11.209 8.580 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.455 -9.659 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.687 -9.308 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.783 -7.975 7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.054 -11.697 7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.974 -7.850 7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.053 -12.721 6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.958 -8.871 6.188 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.001 -11.300 5.724 1.00 0.00 H new ATOM 87 N ASN A 6 -0.149 -8.185 9.003 1.00 0.00 N ATOM 88 CA ASN A 6 0.727 -7.112 9.441 1.00 0.00 C ATOM 89 C ASN A 6 2.113 -7.215 8.840 1.00 0.00 C ATOM 90 O ASN A 6 2.626 -6.229 8.335 1.00 0.00 O ATOM 91 CB ASN A 6 0.839 -7.113 10.962 1.00 0.00 C ATOM 92 CG ASN A 6 1.110 -8.525 11.482 1.00 0.00 C ATOM 93 OD1 ASN A 6 2.264 -8.929 11.618 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.106 -9.303 11.778 1.00 0.00 N ATOM 0 H ASN A 6 -0.545 -8.744 9.758 1.00 0.00 H new ATOM 0 HA ASN A 6 0.281 -6.179 9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.642 -6.445 11.273 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.082 -6.729 11.400 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.277 -10.248 12.123 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.850 -8.967 11.665 1.00 0.00 H new ATOM 101 N LYS A 7 2.706 -8.402 8.883 1.00 0.00 N ATOM 102 CA LYS A 7 4.038 -8.590 8.337 1.00 0.00 C ATOM 103 C LYS A 7 4.065 -8.220 6.864 1.00 0.00 C ATOM 104 O LYS A 7 5.005 -7.579 6.398 1.00 0.00 O ATOM 105 CB LYS A 7 4.480 -10.040 8.543 1.00 0.00 C ATOM 106 CG LYS A 7 5.912 -10.254 8.016 1.00 0.00 C ATOM 107 CD LYS A 7 6.931 -9.543 8.926 1.00 0.00 C ATOM 108 CE LYS A 7 7.381 -8.224 8.284 1.00 0.00 C ATOM 109 NZ LYS A 7 8.585 -7.711 8.995 1.00 0.00 N ATOM 0 H LYS A 7 2.288 -9.240 9.287 1.00 0.00 H new ATOM 0 HA LYS A 7 4.734 -7.935 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.436 -10.292 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.793 -10.711 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.135 -11.320 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.993 -9.870 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.485 -9.348 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.794 -10.188 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.607 -8.379 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.576 -7.490 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.890 -6.817 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.354 -7.548 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.353 -8.409 8.926 1.00 0.00 H new ATOM 123 N GLU A 8 3.014 -8.598 6.148 1.00 0.00 N ATOM 124 CA GLU A 8 2.912 -8.279 4.734 1.00 0.00 C ATOM 125 C GLU A 8 2.606 -6.793 4.563 1.00 0.00 C ATOM 126 O GLU A 8 3.111 -6.137 3.651 1.00 0.00 O ATOM 127 CB GLU A 8 1.809 -9.146 4.121 1.00 0.00 C ATOM 128 CG GLU A 8 1.719 -8.907 2.614 1.00 0.00 C ATOM 129 CD GLU A 8 3.082 -9.110 1.946 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.507 -10.249 1.844 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.685 -8.122 1.557 1.00 0.00 O ATOM 0 H GLU A 8 2.224 -9.124 6.523 1.00 0.00 H new ATOM 0 HA GLU A 8 3.853 -8.486 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.014 -10.198 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.853 -8.914 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.990 -9.589 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.363 -7.895 2.423 1.00 0.00 H new ATOM 138 N ARG A 9 1.779 -6.287 5.469 1.00 0.00 N ATOM 139 CA ARG A 9 1.376 -4.900 5.484 1.00 0.00 C ATOM 140 C ARG A 9 2.528 -3.982 5.841 1.00 0.00 C ATOM 141 O ARG A 9 2.573 -2.879 5.357 1.00 0.00 O ATOM 142 CB ARG A 9 0.223 -4.697 6.470 1.00 0.00 C ATOM 143 CG ARG A 9 -1.075 -5.219 5.846 1.00 0.00 C ATOM 144 CD ARG A 9 -2.161 -5.356 6.913 1.00 0.00 C ATOM 145 NE ARG A 9 -2.496 -4.042 7.460 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.734 -3.567 7.417 1.00 0.00 C ATOM 147 NH1 ARG A 9 -4.564 -3.825 8.384 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.115 -2.841 6.406 1.00 0.00 N ATOM 0 H ARG A 9 1.368 -6.841 6.220 1.00 0.00 H new ATOM 0 HA ARG A 9 1.045 -4.643 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.429 -5.223 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.122 -3.640 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.409 -4.538 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.896 -6.185 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.050 -5.816 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.817 -6.014 7.711 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.760 -3.477 7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.263 -4.393 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.516 -3.460 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.462 -2.638 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.066 -2.475 6.371 1.00 0.00 H new ATOM 162 N VAL A 10 3.444 -4.437 6.699 1.00 0.00 N ATOM 163 CA VAL A 10 4.580 -3.599 7.109 1.00 0.00 C ATOM 164 C VAL A 10 5.399 -3.278 5.891 1.00 0.00 C ATOM 165 O VAL A 10 5.795 -2.139 5.638 1.00 0.00 O ATOM 166 CB VAL A 10 5.536 -4.312 8.086 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.595 -3.305 8.577 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.789 -4.905 9.283 1.00 0.00 C ATOM 0 H VAL A 10 3.426 -5.366 7.120 1.00 0.00 H new ATOM 0 HA VAL A 10 4.159 -2.721 7.598 1.00 0.00 H new ATOM 0 HB VAL A 10 6.013 -5.137 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.276 -3.801 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.158 -2.924 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.101 -2.477 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.499 -5.398 9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.279 -4.108 9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.056 -5.631 8.931 1.00 0.00 H new ATOM 178 N ILE A 11 5.658 -4.335 5.165 1.00 0.00 N ATOM 179 CA ILE A 11 6.436 -4.265 3.970 1.00 0.00 C ATOM 180 C ILE A 11 5.738 -3.379 2.956 1.00 0.00 C ATOM 181 O ILE A 11 6.338 -2.487 2.370 1.00 0.00 O ATOM 182 CB ILE A 11 6.556 -5.688 3.421 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.233 -6.593 4.468 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.362 -5.689 2.124 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.048 -8.061 4.069 1.00 0.00 C ATOM 0 H ILE A 11 5.329 -5.273 5.394 1.00 0.00 H new ATOM 0 HA ILE A 11 7.421 -3.845 4.172 1.00 0.00 H new ATOM 0 HB ILE A 11 5.558 -6.072 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.294 -6.355 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.800 -6.415 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.439 -6.708 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.862 -5.063 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.361 -5.296 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.527 -8.702 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.984 -8.294 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.501 -8.233 3.093 1.00 0.00 H new ATOM 197 N ALA A 12 4.461 -3.666 2.771 1.00 0.00 N ATOM 198 CA ALA A 12 3.624 -2.956 1.821 1.00 0.00 C ATOM 199 C ALA A 12 3.297 -1.530 2.241 1.00 0.00 C ATOM 200 O ALA A 12 3.428 -0.609 1.439 1.00 0.00 O ATOM 201 CB ALA A 12 2.346 -3.736 1.694 1.00 0.00 C ATOM 0 H ALA A 12 3.973 -4.403 3.280 1.00 0.00 H new ATOM 0 HA ALA A 12 4.168 -2.877 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.684 -3.237 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.567 -4.741 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.858 -3.796 2.667 1.00 0.00 H new ATOM 207 N ILE A 13 2.879 -1.345 3.491 1.00 0.00 N ATOM 208 CA ILE A 13 2.561 -0.023 3.981 1.00 0.00 C ATOM 209 C ILE A 13 3.817 0.812 3.909 1.00 0.00 C ATOM 210 O ILE A 13 3.788 1.979 3.562 1.00 0.00 O ATOM 211 CB ILE A 13 2.053 -0.083 5.436 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.448 1.283 5.808 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.212 -0.441 6.395 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.802 1.665 7.245 1.00 0.00 C ATOM 0 H ILE A 13 2.756 -2.094 4.173 1.00 0.00 H new ATOM 0 HA ILE A 13 1.770 0.415 3.372 1.00 0.00 H new ATOM 0 HB ILE A 13 1.290 -0.856 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.817 2.047 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.365 1.248 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.839 -0.480 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.623 -1.413 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.992 0.317 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.363 2.634 7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.411 0.912 7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.885 1.722 7.350 1.00 0.00 H new ATOM 226 N GLY A 14 4.927 0.163 4.221 1.00 0.00 N ATOM 227 CA GLY A 14 6.211 0.797 4.188 1.00 0.00 C ATOM 228 C GLY A 14 6.541 1.176 2.754 1.00 0.00 C ATOM 229 O GLY A 14 7.103 2.244 2.503 1.00 0.00 O ATOM 0 H GLY A 14 4.951 -0.817 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.209 1.685 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.972 0.125 4.584 1.00 0.00 H new ATOM 233 N GLU A 15 6.162 0.299 1.803 1.00 0.00 N ATOM 234 CA GLU A 15 6.408 0.582 0.402 1.00 0.00 C ATOM 235 C GLU A 15 5.505 1.716 -0.073 1.00 0.00 C ATOM 236 O GLU A 15 5.938 2.630 -0.774 1.00 0.00 O ATOM 237 CB GLU A 15 6.070 -0.651 -0.445 1.00 0.00 C ATOM 238 CG GLU A 15 7.046 -1.804 -0.175 1.00 0.00 C ATOM 239 CD GLU A 15 7.875 -2.110 -1.426 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.535 -1.206 -1.918 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.838 -3.243 -1.876 1.00 0.00 O ATOM 0 H GLU A 15 5.695 -0.589 1.988 1.00 0.00 H new ATOM 0 HA GLU A 15 7.457 0.855 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.053 -0.976 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.101 -0.387 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.707 -1.543 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.493 -2.693 0.128 1.00 0.00 H new ATOM 248 N ILE A 16 4.234 1.607 0.302 1.00 0.00 N ATOM 249 CA ILE A 16 3.215 2.572 -0.083 1.00 0.00 C ATOM 250 C ILE A 16 3.373 3.927 0.606 1.00 0.00 C ATOM 251 O ILE A 16 3.207 4.974 -0.023 1.00 0.00 O ATOM 252 CB ILE A 16 1.838 1.920 0.130 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.671 0.944 -1.035 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.679 2.940 0.141 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.560 -0.068 -0.793 1.00 0.00 C ATOM 0 H ILE A 16 3.883 0.845 0.882 1.00 0.00 H new ATOM 0 HA ILE A 16 3.328 2.820 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 16 1.800 1.433 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.456 1.503 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.610 0.415 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.265 2.417 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.833 3.657 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.650 3.468 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.484 -0.737 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.785 -0.649 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.386 0.456 -0.656 1.00 0.00 H new ATOM 267 N MET A 17 3.695 3.902 1.886 1.00 0.00 N ATOM 268 CA MET A 17 3.881 5.131 2.649 1.00 0.00 C ATOM 269 C MET A 17 5.081 5.922 2.109 1.00 0.00 C ATOM 270 O MET A 17 5.163 7.138 2.290 1.00 0.00 O ATOM 271 CB MET A 17 4.058 4.797 4.138 1.00 0.00 C ATOM 272 CG MET A 17 2.711 4.337 4.725 1.00 0.00 C ATOM 273 SD MET A 17 1.546 5.716 4.831 1.00 0.00 S ATOM 274 CE MET A 17 0.028 4.720 4.743 1.00 0.00 C ATOM 0 H MET A 17 3.834 3.046 2.423 1.00 0.00 H new ATOM 0 HA MET A 17 2.996 5.758 2.540 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.806 4.014 4.259 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.422 5.672 4.677 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.290 3.547 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.868 3.912 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.839 5.366 4.881 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.032 4.234 3.769 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.044 3.962 5.526 1.00 0.00 H new ATOM 284 N ARG A 18 5.999 5.216 1.434 1.00 0.00 N ATOM 285 CA ARG A 18 7.187 5.840 0.849 1.00 0.00 C ATOM 286 C ARG A 18 6.811 6.675 -0.374 1.00 0.00 C ATOM 287 O ARG A 18 7.411 7.719 -0.637 1.00 0.00 O ATOM 288 CB ARG A 18 8.178 4.741 0.443 1.00 0.00 C ATOM 289 CG ARG A 18 9.428 5.352 -0.203 1.00 0.00 C ATOM 290 CD ARG A 18 10.361 4.230 -0.660 1.00 0.00 C ATOM 291 NE ARG A 18 11.608 4.788 -1.176 1.00 0.00 N ATOM 292 CZ ARG A 18 12.719 4.062 -1.225 1.00 0.00 C ATOM 293 NH1 ARG A 18 13.461 3.937 -0.163 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.066 3.478 -2.336 1.00 0.00 N ATOM 0 H ARG A 18 5.938 4.209 1.281 1.00 0.00 H new ATOM 0 HA ARG A 18 7.643 6.500 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.463 4.159 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.701 4.053 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.145 5.974 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.940 5.999 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.572 3.560 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.874 3.634 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 18 11.626 5.753 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.189 4.396 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.314 3.380 -0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.485 3.578 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.919 2.920 -2.374 1.00 0.00 H new ATOM 308 N LEU A 19 5.832 6.171 -1.125 1.00 0.00 N ATOM 309 CA LEU A 19 5.357 6.808 -2.354 1.00 0.00 C ATOM 310 C LEU A 19 5.172 8.324 -2.204 1.00 0.00 C ATOM 311 O LEU A 19 4.234 8.781 -1.547 1.00 0.00 O ATOM 312 CB LEU A 19 4.039 6.159 -2.756 1.00 0.00 C ATOM 313 CG LEU A 19 4.224 4.635 -2.803 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.916 3.953 -3.175 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.302 4.276 -3.826 1.00 0.00 C ATOM 0 H LEU A 19 5.343 5.305 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 19 6.114 6.663 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.258 6.421 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.719 6.529 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 19 4.532 4.289 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.064 2.873 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.155 4.195 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.590 4.301 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.430 3.194 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.002 4.633 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.244 4.745 -3.542 1.00 0.00 H new ATOM 327 N PRO A 20 6.052 9.105 -2.805 1.00 0.00 N ATOM 328 CA PRO A 20 5.996 10.595 -2.746 1.00 0.00 C ATOM 329 C PRO A 20 4.951 11.192 -3.695 1.00 0.00 C ATOM 330 O PRO A 20 4.761 12.410 -3.712 1.00 0.00 O ATOM 331 CB PRO A 20 7.403 11.050 -3.185 1.00 0.00 C ATOM 332 CG PRO A 20 8.188 9.811 -3.500 1.00 0.00 C ATOM 333 CD PRO A 20 7.203 8.657 -3.603 1.00 0.00 C ATOM 0 HA PRO A 20 5.712 10.927 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.343 11.700 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.887 11.622 -2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.735 9.932 -4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.926 9.617 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.921 8.463 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.627 7.733 -3.210 1.00 0.00 H new ATOM 341 N ASN A 21 4.306 10.344 -4.507 1.00 0.00 N ATOM 342 CA ASN A 21 3.324 10.836 -5.481 1.00 0.00 C ATOM 343 C ASN A 21 1.902 10.382 -5.166 1.00 0.00 C ATOM 344 O ASN A 21 1.078 10.194 -6.066 1.00 0.00 O ATOM 345 CB ASN A 21 3.733 10.382 -6.879 1.00 0.00 C ATOM 346 CG ASN A 21 4.838 11.286 -7.424 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.742 12.511 -7.339 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.884 10.755 -7.983 1.00 0.00 N ATOM 0 H ASN A 21 4.443 9.333 -4.510 1.00 0.00 H new ATOM 0 HA ASN A 21 3.318 11.925 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.080 9.349 -6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.870 10.408 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.624 11.353 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.965 9.741 -8.054 1.00 0.00 H new ATOM 355 N LEU A 22 1.614 10.238 -3.884 1.00 0.00 N ATOM 356 CA LEU A 22 0.284 9.845 -3.441 1.00 0.00 C ATOM 357 C LEU A 22 -0.177 10.736 -2.316 1.00 0.00 C ATOM 358 O LEU A 22 0.610 11.109 -1.442 1.00 0.00 O ATOM 359 CB LEU A 22 0.277 8.398 -2.953 1.00 0.00 C ATOM 360 CG LEU A 22 0.432 7.453 -4.135 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.760 6.060 -3.622 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.878 7.396 -4.911 1.00 0.00 C ATOM 0 H LEU A 22 2.283 10.387 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.390 9.942 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.088 8.241 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.654 8.187 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 22 1.232 7.810 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.872 5.379 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.690 6.091 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.047 5.710 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.770 6.719 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.672 7.035 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.130 8.393 -5.272 1.00 0.00 H new ATOM 374 N ASN A 23 -1.471 11.015 -2.300 1.00 0.00 N ATOM 375 CA ASN A 23 -2.043 11.799 -1.223 1.00 0.00 C ATOM 376 C ASN A 23 -2.272 10.835 -0.086 1.00 0.00 C ATOM 377 O ASN A 23 -2.346 9.625 -0.316 1.00 0.00 O ATOM 378 CB ASN A 23 -3.351 12.472 -1.663 1.00 0.00 C ATOM 379 CG ASN A 23 -4.149 11.543 -2.570 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.973 10.769 -2.093 1.00 0.00 O ATOM 381 ND2 ASN A 23 -3.943 11.570 -3.859 1.00 0.00 N ATOM 0 H ASN A 23 -2.136 10.713 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.378 12.609 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.945 12.734 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.130 13.401 -2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.468 10.947 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.257 12.215 -4.252 1.00 0.00 H new ATOM 388 N SER A 24 -2.350 11.336 1.132 1.00 0.00 N ATOM 389 CA SER A 24 -2.525 10.449 2.268 1.00 0.00 C ATOM 390 C SER A 24 -3.676 9.490 2.044 1.00 0.00 C ATOM 391 O SER A 24 -3.606 8.352 2.449 1.00 0.00 O ATOM 392 CB SER A 24 -2.775 11.229 3.542 1.00 0.00 C ATOM 393 OG SER A 24 -3.915 12.064 3.379 1.00 0.00 O ATOM 0 H SER A 24 -2.297 12.329 1.359 1.00 0.00 H new ATOM 0 HA SER A 24 -1.600 9.882 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.931 10.543 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.902 11.834 3.787 1.00 0.00 H new ATOM 0 HG SER A 24 -4.074 12.565 4.206 1.00 0.00 H new ATOM 399 N LEU A 25 -4.724 9.951 1.386 1.00 0.00 N ATOM 400 CA LEU A 25 -5.871 9.101 1.132 1.00 0.00 C ATOM 401 C LEU A 25 -5.484 7.936 0.269 1.00 0.00 C ATOM 402 O LEU A 25 -5.810 6.817 0.600 1.00 0.00 O ATOM 403 CB LEU A 25 -6.955 9.875 0.415 1.00 0.00 C ATOM 404 CG LEU A 25 -7.312 11.156 1.174 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.334 12.291 0.832 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.707 11.574 0.745 1.00 0.00 C ATOM 0 H LEU A 25 -4.804 10.900 1.021 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.237 8.747 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.621 10.126 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.843 9.251 0.310 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.259 10.966 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.611 13.189 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.322 11.994 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.375 12.497 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.991 12.486 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.718 11.755 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.415 10.781 0.987 1.00 0.00 H new ATOM 418 N GLN A 26 -4.773 8.204 -0.820 1.00 0.00 N ATOM 419 CA GLN A 26 -4.330 7.142 -1.699 1.00 0.00 C ATOM 420 C GLN A 26 -3.363 6.261 -0.964 1.00 0.00 C ATOM 421 O GLN A 26 -3.447 5.042 -1.007 1.00 0.00 O ATOM 422 CB GLN A 26 -3.637 7.717 -2.905 1.00 0.00 C ATOM 423 CG GLN A 26 -4.682 8.259 -3.874 1.00 0.00 C ATOM 424 CD GLN A 26 -5.376 7.108 -4.601 1.00 0.00 C ATOM 425 OE1 GLN A 26 -6.595 6.967 -4.523 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.665 6.268 -5.302 1.00 0.00 N ATOM 0 H GLN A 26 -4.495 9.142 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.199 6.568 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.957 8.513 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.035 6.951 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.418 8.852 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.208 8.922 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.654 6.385 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.120 5.494 -5.786 1.00 0.00 H new ATOM 435 N VAL A 27 -2.469 6.919 -0.253 1.00 0.00 N ATOM 436 CA VAL A 27 -1.476 6.243 0.542 1.00 0.00 C ATOM 437 C VAL A 27 -2.194 5.334 1.526 1.00 0.00 C ATOM 438 O VAL A 27 -1.841 4.169 1.707 1.00 0.00 O ATOM 439 CB VAL A 27 -0.671 7.329 1.284 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.089 6.759 2.472 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.327 7.985 0.326 1.00 0.00 C ATOM 0 H VAL A 27 -2.415 7.937 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.803 5.637 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.384 8.066 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.643 7.557 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.615 6.316 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.785 5.995 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.892 8.751 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.013 7.230 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.212 8.442 -0.504 1.00 0.00 H new ATOM 451 N VAL A 28 -3.229 5.897 2.122 1.00 0.00 N ATOM 452 CA VAL A 28 -4.067 5.183 3.071 1.00 0.00 C ATOM 453 C VAL A 28 -4.953 4.172 2.376 1.00 0.00 C ATOM 454 O VAL A 28 -5.252 3.107 2.910 1.00 0.00 O ATOM 455 CB VAL A 28 -4.857 6.145 3.936 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.663 5.338 4.955 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.847 7.024 4.676 1.00 0.00 C ATOM 0 H VAL A 28 -3.514 6.863 1.962 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.414 4.619 3.738 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.534 6.753 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.237 6.017 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.343 4.667 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.984 4.754 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.378 7.733 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.202 6.397 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.241 7.569 3.953 1.00 0.00 H new ATOM 467 N ALA A 29 -5.374 4.542 1.180 1.00 0.00 N ATOM 468 CA ALA A 29 -6.236 3.716 0.368 1.00 0.00 C ATOM 469 C ALA A 29 -5.591 2.378 0.223 1.00 0.00 C ATOM 470 O ALA A 29 -6.246 1.336 0.256 1.00 0.00 O ATOM 471 CB ALA A 29 -6.341 4.334 -1.013 1.00 0.00 C ATOM 0 H ALA A 29 -5.123 5.430 0.746 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.222 3.631 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.990 3.720 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.759 5.337 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.350 4.389 -1.463 1.00 0.00 H new ATOM 477 N PHE A 30 -4.282 2.430 0.093 1.00 0.00 N ATOM 478 CA PHE A 30 -3.520 1.257 -0.021 1.00 0.00 C ATOM 479 C PHE A 30 -3.479 0.554 1.286 1.00 0.00 C ATOM 480 O PHE A 30 -3.608 -0.661 1.302 1.00 0.00 O ATOM 481 CB PHE A 30 -2.138 1.603 -0.472 1.00 0.00 C ATOM 482 CG PHE A 30 -2.213 1.861 -1.935 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.530 0.815 -2.795 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.011 3.141 -2.427 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.653 1.052 -4.149 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.130 3.385 -3.778 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.460 2.339 -4.653 1.00 0.00 C ATOM 0 H PHE A 30 -3.741 3.294 0.066 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.977 0.595 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.768 2.481 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.447 0.788 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.680 -0.181 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.761 3.946 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.899 0.241 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.969 4.381 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.564 2.529 -5.711 1.00 0.00 H new ATOM 497 N ILE A 31 -3.350 1.312 2.392 1.00 0.00 N ATOM 498 CA ILE A 31 -3.338 0.652 3.692 1.00 0.00 C ATOM 499 C ILE A 31 -4.615 -0.166 3.784 1.00 0.00 C ATOM 500 O ILE A 31 -4.634 -1.289 4.289 1.00 0.00 O ATOM 501 CB ILE A 31 -3.376 1.630 4.875 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.216 2.615 4.834 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.292 0.836 6.191 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.428 3.653 5.947 1.00 0.00 C ATOM 0 H ILE A 31 -3.258 2.328 2.407 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.418 0.071 3.756 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.309 2.191 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.269 2.094 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.167 3.105 3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.319 1.526 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.136 0.150 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.361 0.269 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.607 4.370 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.370 4.176 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.458 3.149 6.913 1.00 0.00 H new ATOM 516 N ASN A 32 -5.683 0.446 3.275 1.00 0.00 N ATOM 517 CA ASN A 32 -6.998 -0.168 3.277 1.00 0.00 C ATOM 518 C ASN A 32 -7.069 -1.381 2.359 1.00 0.00 C ATOM 519 O ASN A 32 -7.705 -2.375 2.697 1.00 0.00 O ATOM 520 CB ASN A 32 -8.026 0.880 2.851 1.00 0.00 C ATOM 521 CG ASN A 32 -8.431 1.740 4.043 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.074 1.255 4.973 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.089 2.998 4.072 1.00 0.00 N ATOM 0 H ASN A 32 -5.656 1.375 2.854 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.211 -0.524 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.609 1.509 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.905 0.388 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.355 3.581 4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.556 3.399 3.301 1.00 0.00 H new ATOM 530 N SER A 33 -6.428 -1.303 1.202 1.00 0.00 N ATOM 531 CA SER A 33 -6.450 -2.410 0.274 1.00 0.00 C ATOM 532 C SER A 33 -5.690 -3.608 0.844 1.00 0.00 C ATOM 533 O SER A 33 -6.062 -4.755 0.603 1.00 0.00 O ATOM 534 CB SER A 33 -5.848 -1.976 -1.049 1.00 0.00 C ATOM 535 OG SER A 33 -6.426 -0.742 -1.456 1.00 0.00 O ATOM 0 H SER A 33 -5.893 -0.492 0.891 1.00 0.00 H new ATOM 0 HA SER A 33 -7.484 -2.716 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.768 -1.868 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.024 -2.739 -1.807 1.00 0.00 H new ATOM 0 HG SER A 33 -6.062 -0.014 -0.910 1.00 0.00 H new ATOM 541 N LEU A 34 -4.610 -3.329 1.586 1.00 0.00 N ATOM 542 CA LEU A 34 -3.789 -4.418 2.174 1.00 0.00 C ATOM 543 C LEU A 34 -4.648 -5.328 3.048 1.00 0.00 C ATOM 544 O LEU A 34 -4.560 -6.546 2.958 1.00 0.00 O ATOM 545 CB LEU A 34 -2.642 -3.912 3.077 1.00 0.00 C ATOM 546 CG LEU A 34 -1.966 -2.648 2.543 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.671 -2.384 3.310 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.626 -2.786 1.064 1.00 0.00 C ATOM 0 H LEU A 34 -4.283 -2.386 1.795 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.368 -4.942 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.035 -3.712 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.895 -4.699 3.180 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.664 -1.822 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.196 -1.482 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.896 -2.250 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.004 -3.231 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.147 -1.872 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.948 -3.628 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.540 -2.957 0.495 1.00 0.00 H new ATOM 560 N ARG A 35 -5.475 -4.729 3.899 1.00 0.00 N ATOM 561 CA ARG A 35 -6.345 -5.514 4.777 1.00 0.00 C ATOM 562 C ARG A 35 -7.453 -6.159 3.972 1.00 0.00 C ATOM 563 O ARG A 35 -7.861 -7.290 4.246 1.00 0.00 O ATOM 564 CB ARG A 35 -6.915 -4.652 5.903 1.00 0.00 C ATOM 565 CG ARG A 35 -7.623 -3.416 5.342 1.00 0.00 C ATOM 566 CD ARG A 35 -8.119 -2.532 6.491 1.00 0.00 C ATOM 567 NE ARG A 35 -8.919 -1.425 5.970 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.046 -1.641 5.298 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.100 -2.089 5.916 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.092 -1.406 4.021 1.00 0.00 N ATOM 0 H ARG A 35 -5.563 -3.718 4.001 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.749 -6.301 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.616 -5.239 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.112 -4.343 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.940 -2.852 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.463 -3.720 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.715 -3.125 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.270 -2.143 7.053 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.606 -0.467 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.063 -2.275 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.963 -2.254 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.265 -1.057 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.955 -1.571 3.503 1.00 0.00 H new ATOM 584 N ASP A 36 -7.899 -5.444 2.946 1.00 0.00 N ATOM 585 CA ASP A 36 -8.920 -5.948 2.054 1.00 0.00 C ATOM 586 C ASP A 36 -8.340 -7.127 1.284 1.00 0.00 C ATOM 587 O ASP A 36 -9.076 -7.961 0.750 1.00 0.00 O ATOM 588 CB ASP A 36 -9.363 -4.833 1.087 1.00 0.00 C ATOM 589 CG ASP A 36 -10.091 -3.704 1.834 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.598 -3.945 2.922 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.135 -2.607 1.298 1.00 0.00 O ATOM 0 H ASP A 36 -7.563 -4.509 2.716 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.794 -6.274 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.492 -4.428 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.020 -5.250 0.324 1.00 0.00 H new ATOM 596 N ASP A 37 -7.001 -7.176 1.246 1.00 0.00 N ATOM 597 CA ASP A 37 -6.285 -8.241 0.548 1.00 0.00 C ATOM 598 C ASP A 37 -4.769 -8.145 0.805 1.00 0.00 C ATOM 599 O ASP A 37 -4.066 -7.396 0.117 1.00 0.00 O ATOM 600 CB ASP A 37 -6.560 -8.143 -0.958 1.00 0.00 C ATOM 601 CG ASP A 37 -6.259 -9.479 -1.644 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.205 -10.043 -1.383 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.086 -9.921 -2.423 1.00 0.00 O ATOM 0 H ASP A 37 -6.396 -6.487 1.693 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.638 -9.200 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.601 -7.867 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.946 -7.356 -1.396 1.00 0.00 H new ATOM 608 N PRO A 38 -4.253 -8.878 1.773 1.00 0.00 N ATOM 609 CA PRO A 38 -2.796 -8.859 2.107 1.00 0.00 C ATOM 610 C PRO A 38 -1.964 -9.550 1.032 1.00 0.00 C ATOM 611 O PRO A 38 -0.834 -9.151 0.755 1.00 0.00 O ATOM 612 CB PRO A 38 -2.682 -9.600 3.444 1.00 0.00 C ATOM 613 CG PRO A 38 -4.064 -10.005 3.841 1.00 0.00 C ATOM 614 CD PRO A 38 -4.989 -9.799 2.643 1.00 0.00 C ATOM 0 HA PRO A 38 -2.415 -7.840 2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.038 -10.474 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.236 -8.958 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.078 -11.048 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.404 -9.411 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.201 -10.741 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.947 -9.378 2.948 1.00 0.00 H new ATOM 622 N SER A 39 -2.547 -10.578 0.415 1.00 0.00 N ATOM 623 CA SER A 39 -1.871 -11.310 -0.647 1.00 0.00 C ATOM 624 C SER A 39 -1.608 -10.367 -1.807 1.00 0.00 C ATOM 625 O SER A 39 -0.632 -10.519 -2.543 1.00 0.00 O ATOM 626 CB SER A 39 -2.734 -12.485 -1.114 1.00 0.00 C ATOM 627 OG SER A 39 -1.992 -13.280 -2.031 1.00 0.00 O ATOM 0 H SER A 39 -3.483 -10.919 0.634 1.00 0.00 H new ATOM 0 HA SER A 39 -0.927 -11.704 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.041 -13.087 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.644 -12.117 -1.588 1.00 0.00 H new ATOM 0 HG SER A 39 -2.542 -14.034 -2.330 1.00 0.00 H new ATOM 633 N GLN A 40 -2.498 -9.384 -1.944 1.00 0.00 N ATOM 634 CA GLN A 40 -2.384 -8.394 -2.996 1.00 0.00 C ATOM 635 C GLN A 40 -1.733 -7.119 -2.474 1.00 0.00 C ATOM 636 O GLN A 40 -1.724 -6.112 -3.169 1.00 0.00 O ATOM 637 CB GLN A 40 -3.767 -8.076 -3.579 1.00 0.00 C ATOM 638 CG GLN A 40 -4.341 -9.315 -4.281 1.00 0.00 C ATOM 639 CD GLN A 40 -3.781 -9.433 -5.697 1.00 0.00 C ATOM 640 OE1 GLN A 40 -2.597 -9.712 -5.880 1.00 0.00 O ATOM 641 NE2 GLN A 40 -4.569 -9.237 -6.717 1.00 0.00 N ATOM 0 H GLN A 40 -3.306 -9.259 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.752 -8.806 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.440 -7.754 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.691 -7.250 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.095 -10.211 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.428 -9.249 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.551 -9.006 -6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.204 -9.315 -7.666 1.00 0.00 H new ATOM 650 N SER A 41 -1.159 -7.167 -1.263 1.00 0.00 N ATOM 651 CA SER A 41 -0.493 -5.989 -0.704 1.00 0.00 C ATOM 652 C SER A 41 0.541 -5.528 -1.712 1.00 0.00 C ATOM 653 O SER A 41 0.667 -4.349 -1.993 1.00 0.00 O ATOM 654 CB SER A 41 0.198 -6.336 0.627 1.00 0.00 C ATOM 655 OG SER A 41 1.332 -7.150 0.354 1.00 0.00 O ATOM 0 H SER A 41 -1.143 -7.993 -0.664 1.00 0.00 H new ATOM 0 HA SER A 41 -1.224 -5.205 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.502 -5.426 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.494 -6.861 1.286 1.00 0.00 H new ATOM 0 HG SER A 41 2.117 -6.581 0.214 1.00 0.00 H new ATOM 661 N ALA A 42 1.239 -6.510 -2.273 1.00 0.00 N ATOM 662 CA ALA A 42 2.247 -6.279 -3.281 1.00 0.00 C ATOM 663 C ALA A 42 1.647 -5.669 -4.543 1.00 0.00 C ATOM 664 O ALA A 42 2.258 -4.808 -5.161 1.00 0.00 O ATOM 665 CB ALA A 42 2.904 -7.607 -3.638 1.00 0.00 C ATOM 0 H ALA A 42 1.114 -7.494 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 42 2.979 -5.579 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.667 -7.443 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.365 -8.036 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.150 -8.294 -4.023 1.00 0.00 H new ATOM 671 N ASN A 43 0.446 -6.119 -4.906 1.00 0.00 N ATOM 672 CA ASN A 43 -0.250 -5.617 -6.084 1.00 0.00 C ATOM 673 C ASN A 43 -0.714 -4.210 -5.827 1.00 0.00 C ATOM 674 O ASN A 43 -0.758 -3.369 -6.711 1.00 0.00 O ATOM 675 CB ASN A 43 -1.476 -6.475 -6.325 1.00 0.00 C ATOM 676 CG ASN A 43 -2.019 -6.293 -7.742 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.626 -5.371 -8.461 1.00 0.00 O ATOM 678 ND2 ASN A 43 -2.908 -7.131 -8.188 1.00 0.00 N ATOM 0 H ASN A 43 -0.067 -6.837 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 43 0.420 -5.643 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.225 -7.523 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.250 -6.217 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.280 -7.026 -9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.233 -7.894 -7.594 1.00 0.00 H new ATOM 685 N LEU A 44 -1.094 -4.009 -4.591 1.00 0.00 N ATOM 686 CA LEU A 44 -1.595 -2.740 -4.125 1.00 0.00 C ATOM 687 C LEU A 44 -0.482 -1.753 -4.036 1.00 0.00 C ATOM 688 O LEU A 44 -0.572 -0.641 -4.524 1.00 0.00 O ATOM 689 CB LEU A 44 -2.238 -2.982 -2.781 1.00 0.00 C ATOM 690 CG LEU A 44 -3.486 -3.803 -3.047 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.009 -4.449 -1.764 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.509 -2.872 -3.664 1.00 0.00 C ATOM 0 H LEU A 44 -1.064 -4.731 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.330 -2.324 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.558 -3.513 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.489 -2.039 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.267 -4.625 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.904 -5.030 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.244 -5.105 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.253 -3.673 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.425 -3.425 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.725 -2.058 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.114 -2.462 -4.593 1.00 0.00 H new ATOM 704 N LEU A 45 0.591 -2.208 -3.463 1.00 0.00 N ATOM 705 CA LEU A 45 1.774 -1.411 -3.359 1.00 0.00 C ATOM 706 C LEU A 45 2.306 -1.215 -4.774 1.00 0.00 C ATOM 707 O LEU A 45 2.816 -0.154 -5.124 1.00 0.00 O ATOM 708 CB LEU A 45 2.725 -2.096 -2.371 1.00 0.00 C ATOM 709 CG LEU A 45 3.926 -2.690 -3.052 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.869 -1.549 -3.421 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.584 -3.668 -2.073 1.00 0.00 C ATOM 0 H LEU A 45 0.671 -3.140 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 45 1.612 -0.413 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.054 -1.372 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.188 -2.880 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 45 3.660 -3.230 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.751 -1.952 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.359 -0.858 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.172 -1.020 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.461 -4.116 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.886 -3.133 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.874 -4.451 -1.809 1.00 0.00 H new ATOM 723 N ALA A 46 2.092 -2.238 -5.596 1.00 0.00 N ATOM 724 CA ALA A 46 2.463 -2.176 -7.008 1.00 0.00 C ATOM 725 C ALA A 46 1.576 -1.146 -7.687 1.00 0.00 C ATOM 726 O ALA A 46 2.045 -0.299 -8.441 1.00 0.00 O ATOM 727 CB ALA A 46 2.238 -3.526 -7.682 1.00 0.00 C ATOM 0 H ALA A 46 1.664 -3.119 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 46 3.517 -1.909 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.520 -3.460 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.847 -4.284 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.186 -3.800 -7.605 1.00 0.00 H new ATOM 733 N GLU A 47 0.284 -1.216 -7.356 1.00 0.00 N ATOM 734 CA GLU A 47 -0.707 -0.297 -7.862 1.00 0.00 C ATOM 735 C GLU A 47 -0.328 1.088 -7.415 1.00 0.00 C ATOM 736 O GLU A 47 -0.389 2.043 -8.160 1.00 0.00 O ATOM 737 CB GLU A 47 -2.045 -0.673 -7.231 1.00 0.00 C ATOM 738 CG GLU A 47 -2.858 -1.575 -8.155 1.00 0.00 C ATOM 739 CD GLU A 47 -3.877 -2.375 -7.343 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.931 -1.833 -7.051 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.587 -3.518 -7.021 1.00 0.00 O ATOM 0 H GLU A 47 -0.094 -1.922 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.771 -0.336 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.872 -1.181 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.612 0.231 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.371 -0.973 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.194 -2.254 -8.690 1.00 0.00 H new ATOM 748 N ALA A 48 0.083 1.148 -6.171 1.00 0.00 N ATOM 749 CA ALA A 48 0.503 2.377 -5.550 1.00 0.00 C ATOM 750 C ALA A 48 1.683 2.970 -6.295 1.00 0.00 C ATOM 751 O ALA A 48 1.713 4.166 -6.567 1.00 0.00 O ATOM 752 CB ALA A 48 0.877 2.096 -4.117 1.00 0.00 C ATOM 0 H ALA A 48 0.135 0.335 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.314 3.098 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.197 3.021 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.014 1.692 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.691 1.372 -4.089 1.00 0.00 H new ATOM 758 N LYS A 49 2.632 2.115 -6.664 1.00 0.00 N ATOM 759 CA LYS A 49 3.778 2.567 -7.437 1.00 0.00 C ATOM 760 C LYS A 49 3.269 3.043 -8.790 1.00 0.00 C ATOM 761 O LYS A 49 3.757 4.033 -9.341 1.00 0.00 O ATOM 762 CB LYS A 49 4.810 1.443 -7.604 1.00 0.00 C ATOM 763 CG LYS A 49 5.529 1.208 -6.268 1.00 0.00 C ATOM 764 CD LYS A 49 6.597 0.116 -6.430 1.00 0.00 C ATOM 765 CE LYS A 49 7.247 -0.181 -5.070 1.00 0.00 C ATOM 766 NZ LYS A 49 8.596 0.446 -5.009 1.00 0.00 N ATOM 0 H LYS A 49 2.629 1.119 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 49 4.280 3.382 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.317 0.527 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.532 1.709 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.993 2.134 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.809 0.913 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.145 -0.790 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.355 0.439 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.620 0.203 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.329 -1.258 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.032 0.242 -4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.193 0.059 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.506 1.475 -5.130 1.00 0.00 H new ATOM 780 N LYS A 50 2.234 2.350 -9.290 1.00 0.00 N ATOM 781 CA LYS A 50 1.602 2.721 -10.547 1.00 0.00 C ATOM 782 C LYS A 50 0.844 4.030 -10.352 1.00 0.00 C ATOM 783 O LYS A 50 0.786 4.864 -11.247 1.00 0.00 O ATOM 784 CB LYS A 50 0.645 1.606 -11.006 1.00 0.00 C ATOM 785 CG LYS A 50 1.446 0.383 -11.464 1.00 0.00 C ATOM 786 CD LYS A 50 0.478 -0.735 -11.877 1.00 0.00 C ATOM 787 CE LYS A 50 1.184 -2.094 -11.797 1.00 0.00 C ATOM 788 NZ LYS A 50 0.728 -2.814 -10.573 1.00 0.00 N ATOM 0 H LYS A 50 1.824 1.533 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 50 2.362 2.855 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.022 1.329 -10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.018 1.967 -11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.090 0.649 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.096 0.038 -10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.396 -0.731 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.120 -0.561 -12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.961 -2.685 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.265 -1.954 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.354 -3.625 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.757 -2.168 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.246 -3.152 -10.712 1.00 0.00 H new ATOM 802 N LEU A 51 0.283 4.188 -9.149 1.00 0.00 N ATOM 803 CA LEU A 51 -0.473 5.375 -8.769 1.00 0.00 C ATOM 804 C LEU A 51 0.454 6.558 -8.641 1.00 0.00 C ATOM 805 O LEU A 51 0.155 7.655 -9.099 1.00 0.00 O ATOM 806 CB LEU A 51 -1.126 5.150 -7.406 1.00 0.00 C ATOM 807 CG LEU A 51 -2.587 4.711 -7.518 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.431 5.886 -8.031 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.713 3.477 -8.433 1.00 0.00 C ATOM 0 H LEU A 51 0.344 3.488 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.226 5.564 -9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.564 4.393 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.071 6.070 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.959 4.421 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.473 5.577 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.353 6.721 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.067 6.195 -9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.759 3.179 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.341 3.722 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.128 2.656 -8.019 1.00 0.00 H new ATOM 821 N ASN A 52 1.586 6.309 -7.994 1.00 0.00 N ATOM 822 CA ASN A 52 2.579 7.336 -7.783 1.00 0.00 C ATOM 823 C ASN A 52 3.018 7.854 -9.133 1.00 0.00 C ATOM 824 O ASN A 52 3.062 9.061 -9.376 1.00 0.00 O ATOM 825 CB ASN A 52 3.749 6.709 -6.985 1.00 0.00 C ATOM 826 CG ASN A 52 5.158 7.188 -7.418 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.327 8.140 -8.173 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.203 6.563 -6.963 1.00 0.00 N ATOM 0 H ASN A 52 1.833 5.398 -7.608 1.00 0.00 H new ATOM 0 HA ASN A 52 2.189 8.178 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.612 6.935 -5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.701 5.625 -7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.138 6.867 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.088 5.768 -6.334 1.00 0.00 H new ATOM 835 N ASP A 53 3.321 6.919 -10.009 1.00 0.00 N ATOM 836 CA ASP A 53 3.745 7.259 -11.335 1.00 0.00 C ATOM 837 C ASP A 53 2.594 7.883 -12.129 1.00 0.00 C ATOM 838 O ASP A 53 2.802 8.771 -12.957 1.00 0.00 O ATOM 839 CB ASP A 53 4.243 6.000 -12.054 1.00 0.00 C ATOM 840 CG ASP A 53 4.860 6.372 -13.403 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.027 6.725 -13.422 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.154 6.300 -14.396 1.00 0.00 O ATOM 0 H ASP A 53 3.279 5.918 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 53 4.553 7.987 -11.265 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.981 5.488 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.416 5.306 -12.203 1.00 0.00 H new ATOM 847 N ALA A 54 1.389 7.361 -11.893 1.00 0.00 N ATOM 848 CA ALA A 54 0.190 7.811 -12.617 1.00 0.00 C ATOM 849 C ALA A 54 -0.344 9.170 -12.187 1.00 0.00 C ATOM 850 O ALA A 54 -0.786 9.961 -13.024 1.00 0.00 O ATOM 851 CB ALA A 54 -0.922 6.816 -12.358 1.00 0.00 C ATOM 0 H ALA A 54 1.213 6.627 -11.207 1.00 0.00 H new ATOM 0 HA ALA A 54 0.489 7.888 -13.662 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.822 7.131 -12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.619 5.831 -12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.127 6.769 -11.288 1.00 0.00 H new ATOM 857 N GLN A 55 -0.344 9.418 -10.885 1.00 0.00 N ATOM 858 CA GLN A 55 -0.881 10.661 -10.360 1.00 0.00 C ATOM 859 C GLN A 55 0.127 11.769 -10.455 1.00 0.00 C ATOM 860 O GLN A 55 -0.193 12.872 -10.908 1.00 0.00 O ATOM 861 CB GLN A 55 -1.257 10.492 -8.892 1.00 0.00 C ATOM 862 CG GLN A 55 -2.480 9.584 -8.746 1.00 0.00 C ATOM 863 CD GLN A 55 -2.875 9.488 -7.276 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.902 8.900 -6.948 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.121 10.046 -6.362 1.00 0.00 N ATOM 0 H GLN A 55 0.020 8.779 -10.178 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.759 10.913 -10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.416 10.068 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.467 11.466 -8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.311 9.979 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.257 8.592 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.268 10.535 -6.633 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.387 9.992 -5.379 1.00 0.00 H new ATOM 874 N ALA A 56 1.335 11.468 -9.986 1.00 0.00 N ATOM 875 CA ALA A 56 2.412 12.460 -9.964 1.00 0.00 C ATOM 876 C ALA A 56 1.830 13.819 -9.518 1.00 0.00 C ATOM 877 O ALA A 56 1.832 14.785 -10.286 1.00 0.00 O ATOM 878 CB ALA A 56 3.047 12.557 -11.355 1.00 0.00 C ATOM 0 H ALA A 56 1.594 10.553 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 56 3.188 12.164 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.849 13.295 -11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.454 11.586 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.291 12.859 -12.080 1.00 0.00 H new