USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 472 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 Single : A 7 LYS NZ :NH3+ -153:sc= -0.167 (180deg=-0.711) USER MOD Single : A 12 ASN : amide:sc= -2.39 K(o=-2.4,f=-6.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.901 (180deg=-1.74!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.359 (180deg=-1.73!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -7.81! C(o=-7.8!,f=-6.1!) USER MOD Single : A 36 GLN : amide:sc= -0.661 K(o=-0.66,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 82:sc= 0.0669 USER MOD Single : A 50 ASN : amide:sc= -3.19 K(o=-3.2,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.0043 K(o=-0.0043,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.73) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -3.275 -10.134 -5.754 1.00 21.13 N ATOM 29 CA GLU A 3 -3.809 -9.165 -4.803 1.00 32.44 C ATOM 30 C GLU A 3 -3.723 -9.700 -3.377 1.00 44.35 C ATOM 31 O GLU A 3 -3.718 -8.931 -2.415 1.00 55.31 O ATOM 32 CB GLU A 3 -5.261 -8.827 -5.147 1.00 33.21 C ATOM 33 CG GLU A 3 -6.183 -10.034 -5.148 1.00 13.12 C ATOM 34 CD GLU A 3 -7.648 -9.651 -5.071 1.00 63.25 C ATOM 35 OE1 GLU A 3 -8.166 -9.505 -3.945 1.00 65.10 O ATOM 36 OE2 GLU A 3 -8.276 -9.494 -6.139 1.00 73.23 O ATOM 0 HA GLU A 3 -3.208 -8.258 -4.869 1.00 32.44 H new ATOM 0 HB2 GLU A 3 -5.635 -8.096 -4.430 1.00 33.21 H new ATOM 0 HB3 GLU A 3 -5.293 -8.356 -6.129 1.00 33.21 H new ATOM 0 HG2 GLU A 3 -6.011 -10.617 -6.053 1.00 13.12 H new ATOM 0 HG3 GLU A 3 -5.935 -10.676 -4.303 1.00 13.12 H new ATOM 43 N ALA A 4 -3.657 -11.020 -3.248 1.00 32.52 N ATOM 44 CA ALA A 4 -3.570 -11.657 -1.940 1.00 32.43 C ATOM 45 C ALA A 4 -2.429 -11.069 -1.117 1.00 53.31 C ATOM 46 O ALA A 4 -2.462 -11.091 0.114 1.00 33.14 O ATOM 47 CB ALA A 4 -3.390 -13.161 -2.096 1.00 65.12 C ATOM 0 H ALA A 4 -3.662 -11.670 -4.034 1.00 32.52 H new ATOM 0 HA ALA A 4 -4.502 -11.466 -1.408 1.00 32.43 H new ATOM 0 HB1 ALA A 4 -3.326 -13.624 -1.111 1.00 65.12 H new ATOM 0 HB2 ALA A 4 -4.241 -13.575 -2.637 1.00 65.12 H new ATOM 0 HB3 ALA A 4 -2.474 -13.362 -2.651 1.00 65.12 H new ATOM 53 N LEU A 5 -1.422 -10.542 -1.804 1.00 50.45 N ATOM 54 CA LEU A 5 -0.270 -9.947 -1.135 1.00 63.45 C ATOM 55 C LEU A 5 -0.689 -8.749 -0.288 1.00 12.03 C ATOM 56 O LEU A 5 -0.169 -8.538 0.808 1.00 34.12 O ATOM 57 CB LEU A 5 0.775 -9.515 -2.166 1.00 31.02 C ATOM 58 CG LEU A 5 0.941 -10.431 -3.379 1.00 13.52 C ATOM 59 CD1 LEU A 5 2.114 -9.977 -4.235 1.00 12.42 C ATOM 60 CD2 LEU A 5 1.130 -11.875 -2.934 1.00 23.11 C ATOM 0 H LEU A 5 -1.379 -10.514 -2.823 1.00 50.45 H new ATOM 0 HA LEU A 5 0.165 -10.699 -0.477 1.00 63.45 H new ATOM 0 HB2 LEU A 5 0.514 -8.518 -2.522 1.00 31.02 H new ATOM 0 HB3 LEU A 5 1.739 -9.432 -1.664 1.00 31.02 H new ATOM 0 HG LEU A 5 0.035 -10.372 -3.982 1.00 13.52 H new ATOM 0 HD11 LEU A 5 2.216 -10.641 -5.093 1.00 12.42 H new ATOM 0 HD12 LEU A 5 1.938 -8.959 -4.583 1.00 12.42 H new ATOM 0 HD13 LEU A 5 3.029 -10.005 -3.643 1.00 12.42 H new ATOM 0 HD21 LEU A 5 1.247 -12.513 -3.810 1.00 23.11 H new ATOM 0 HD22 LEU A 5 2.020 -11.950 -2.309 1.00 23.11 H new ATOM 0 HD23 LEU A 5 0.259 -12.197 -2.364 1.00 23.11 H new ATOM 72 N PHE A 6 -1.635 -7.970 -0.802 1.00 41.32 N ATOM 73 CA PHE A 6 -2.127 -6.795 -0.091 1.00 20.51 C ATOM 74 C PHE A 6 -2.749 -7.187 1.245 1.00 24.15 C ATOM 75 O PHE A 6 -2.437 -6.605 2.284 1.00 72.41 O ATOM 76 CB PHE A 6 -3.154 -6.049 -0.946 1.00 22.14 C ATOM 77 CG PHE A 6 -4.001 -5.089 -0.162 1.00 41.33 C ATOM 78 CD1 PHE A 6 -5.082 -5.541 0.577 1.00 75.43 C ATOM 79 CD2 PHE A 6 -3.716 -3.732 -0.163 1.00 20.04 C ATOM 80 CE1 PHE A 6 -5.864 -4.658 1.298 1.00 11.31 C ATOM 81 CE2 PHE A 6 -4.493 -2.845 0.558 1.00 20.51 C ATOM 82 CZ PHE A 6 -5.568 -3.309 1.290 1.00 12.13 C ATOM 0 H PHE A 6 -2.076 -8.131 -1.708 1.00 41.32 H new ATOM 0 HA PHE A 6 -1.279 -6.138 0.103 1.00 20.51 H new ATOM 0 HB2 PHE A 6 -2.633 -5.503 -1.732 1.00 22.14 H new ATOM 0 HB3 PHE A 6 -3.802 -6.775 -1.438 1.00 22.14 H new ATOM 0 HD1 PHE A 6 -5.316 -6.595 0.590 1.00 75.43 H new ATOM 0 HD2 PHE A 6 -2.877 -3.364 -0.734 1.00 20.04 H new ATOM 0 HE1 PHE A 6 -6.706 -5.023 1.867 1.00 11.31 H new ATOM 0 HE2 PHE A 6 -4.260 -1.791 0.549 1.00 20.51 H new ATOM 0 HZ PHE A 6 -6.176 -2.618 1.855 1.00 12.13 H new ATOM 92 N LYS A 7 -3.631 -8.180 1.211 1.00 51.12 N ATOM 93 CA LYS A 7 -4.299 -8.653 2.418 1.00 44.30 C ATOM 94 C LYS A 7 -3.348 -9.483 3.275 1.00 0.31 C ATOM 95 O LYS A 7 -3.505 -9.561 4.494 1.00 32.30 O ATOM 96 CB LYS A 7 -5.530 -9.485 2.052 1.00 43.44 C ATOM 97 CG LYS A 7 -5.586 -10.830 2.756 1.00 11.51 C ATOM 98 CD LYS A 7 -6.813 -11.625 2.341 1.00 24.44 C ATOM 99 CE LYS A 7 -8.026 -11.260 3.182 1.00 33.35 C ATOM 100 NZ LYS A 7 -7.824 -11.594 4.619 1.00 54.33 N ATOM 0 H LYS A 7 -3.900 -8.673 0.360 1.00 51.12 H new ATOM 0 HA LYS A 7 -4.615 -7.783 2.994 1.00 44.30 H new ATOM 0 HB2 LYS A 7 -6.428 -8.918 2.298 1.00 43.44 H new ATOM 0 HB3 LYS A 7 -5.541 -9.648 0.974 1.00 43.44 H new ATOM 0 HG2 LYS A 7 -4.686 -11.400 2.525 1.00 11.51 H new ATOM 0 HG3 LYS A 7 -5.598 -10.677 3.835 1.00 11.51 H new ATOM 0 HD2 LYS A 7 -7.029 -11.439 1.289 1.00 24.44 H new ATOM 0 HD3 LYS A 7 -6.608 -12.691 2.441 1.00 24.44 H new ATOM 0 HE2 LYS A 7 -8.230 -10.194 3.082 1.00 33.35 H new ATOM 0 HE3 LYS A 7 -8.902 -11.789 2.806 1.00 33.35 H new ATOM 0 HZ1 LYS A 7 -8.746 -11.773 5.067 1.00 54.33 H new ATOM 0 HZ2 LYS A 7 -7.230 -12.444 4.698 1.00 54.33 H new ATOM 0 HZ3 LYS A 7 -7.355 -10.799 5.098 1.00 54.33 H new ATOM 114 N GLU A 8 -2.362 -10.099 2.631 1.00 3.23 N ATOM 115 CA GLU A 8 -1.386 -10.921 3.337 1.00 33.52 C ATOM 116 C GLU A 8 -0.542 -10.074 4.284 1.00 72.11 C ATOM 117 O GLU A 8 -0.284 -10.467 5.422 1.00 75.23 O ATOM 118 CB GLU A 8 -0.480 -11.646 2.338 1.00 4.51 C ATOM 119 CG GLU A 8 0.455 -12.654 2.986 1.00 73.51 C ATOM 120 CD GLU A 8 1.237 -13.461 1.967 1.00 71.02 C ATOM 121 OE1 GLU A 8 0.605 -14.192 1.176 1.00 13.13 O ATOM 122 OE2 GLU A 8 2.482 -13.361 1.962 1.00 72.22 O ATOM 0 H GLU A 8 -2.218 -10.045 1.623 1.00 3.23 H new ATOM 0 HA GLU A 8 -1.930 -11.659 3.927 1.00 33.52 H new ATOM 0 HB2 GLU A 8 -1.101 -12.159 1.603 1.00 4.51 H new ATOM 0 HB3 GLU A 8 0.113 -10.909 1.796 1.00 4.51 H new ATOM 0 HG2 GLU A 8 1.151 -12.130 3.641 1.00 73.51 H new ATOM 0 HG3 GLU A 8 -0.125 -13.331 3.613 1.00 73.51 H new ATOM 129 N ILE A 9 -0.116 -8.909 3.805 1.00 1.34 N ATOM 130 CA ILE A 9 0.697 -8.006 4.609 1.00 30.14 C ATOM 131 C ILE A 9 -0.112 -7.412 5.757 1.00 61.33 C ATOM 132 O ILE A 9 0.447 -6.984 6.767 1.00 71.03 O ATOM 133 CB ILE A 9 1.276 -6.861 3.756 1.00 4.54 C ATOM 134 CG1 ILE A 9 2.234 -7.416 2.701 1.00 52.34 C ATOM 135 CG2 ILE A 9 1.985 -5.847 4.643 1.00 30.43 C ATOM 136 CD1 ILE A 9 3.403 -8.178 3.285 1.00 52.21 C ATOM 0 H ILE A 9 -0.321 -8.570 2.865 1.00 1.34 H new ATOM 0 HA ILE A 9 1.518 -8.597 5.015 1.00 30.14 H new ATOM 0 HB ILE A 9 0.456 -6.357 3.245 1.00 4.54 H new ATOM 0 HG12 ILE A 9 1.681 -8.074 2.030 1.00 52.34 H new ATOM 0 HG13 ILE A 9 2.614 -6.592 2.097 1.00 52.34 H new ATOM 0 HG21 ILE A 9 2.389 -5.044 4.027 1.00 30.43 H new ATOM 0 HG22 ILE A 9 1.276 -5.433 5.360 1.00 30.43 H new ATOM 0 HG23 ILE A 9 2.798 -6.337 5.178 1.00 30.43 H new ATOM 0 HD11 ILE A 9 4.039 -8.542 2.478 1.00 52.21 H new ATOM 0 HD12 ILE A 9 3.980 -7.518 3.933 1.00 52.21 H new ATOM 0 HD13 ILE A 9 3.033 -9.024 3.865 1.00 52.21 H new ATOM 148 N ASP A 10 -1.430 -7.391 5.595 1.00 64.12 N ATOM 149 CA ASP A 10 -2.317 -6.852 6.619 1.00 2.41 C ATOM 150 C ASP A 10 -2.588 -7.889 7.705 1.00 21.00 C ATOM 151 O ASP A 10 -3.650 -8.511 7.733 1.00 73.22 O ATOM 152 CB ASP A 10 -3.636 -6.395 5.993 1.00 4.10 C ATOM 153 CG ASP A 10 -3.710 -4.889 5.834 1.00 32.12 C ATOM 154 OD1 ASP A 10 -3.192 -4.173 6.717 1.00 60.11 O ATOM 155 OD2 ASP A 10 -4.284 -4.427 4.826 1.00 51.12 O ATOM 0 H ASP A 10 -1.908 -7.741 4.765 1.00 64.12 H new ATOM 0 HA ASP A 10 -1.824 -5.994 7.076 1.00 2.41 H new ATOM 0 HB2 ASP A 10 -3.755 -6.867 5.018 1.00 4.10 H new ATOM 0 HB3 ASP A 10 -4.466 -6.733 6.614 1.00 4.10 H new ATOM 160 N VAL A 11 -1.619 -8.072 8.597 1.00 71.33 N ATOM 161 CA VAL A 11 -1.752 -9.034 9.683 1.00 14.33 C ATOM 162 C VAL A 11 -2.881 -8.641 10.630 1.00 44.20 C ATOM 163 O VAL A 11 -3.345 -9.452 11.431 1.00 64.23 O ATOM 164 CB VAL A 11 -0.444 -9.159 10.487 1.00 34.11 C ATOM 165 CG1 VAL A 11 -0.539 -10.299 11.489 1.00 21.15 C ATOM 166 CG2 VAL A 11 0.738 -9.359 9.550 1.00 31.41 C ATOM 0 H VAL A 11 -0.733 -7.566 8.588 1.00 71.33 H new ATOM 0 HA VAL A 11 -1.982 -9.996 9.226 1.00 14.33 H new ATOM 0 HB VAL A 11 -0.288 -8.233 11.041 1.00 34.11 H new ATOM 0 HG11 VAL A 11 0.394 -10.371 12.047 1.00 21.15 H new ATOM 0 HG12 VAL A 11 -1.361 -10.109 12.179 1.00 21.15 H new ATOM 0 HG13 VAL A 11 -0.719 -11.235 10.960 1.00 21.15 H new ATOM 0 HG21 VAL A 11 1.654 -9.445 10.134 1.00 31.41 H new ATOM 0 HG22 VAL A 11 0.591 -10.269 8.968 1.00 31.41 H new ATOM 0 HG23 VAL A 11 0.816 -8.506 8.876 1.00 31.41 H new ATOM 176 N ASN A 12 -3.319 -7.389 10.532 1.00 3.44 N ATOM 177 CA ASN A 12 -4.394 -6.887 11.380 1.00 73.01 C ATOM 178 C ASN A 12 -5.758 -7.265 10.811 1.00 60.33 C ATOM 179 O ASN A 12 -6.794 -6.950 11.393 1.00 14.44 O ATOM 180 CB ASN A 12 -4.291 -5.368 11.523 1.00 53.51 C ATOM 181 CG ASN A 12 -3.981 -4.683 10.206 1.00 51.35 C ATOM 182 OD1 ASN A 12 -4.269 -5.214 9.134 1.00 33.11 O ATOM 183 ND2 ASN A 12 -3.390 -3.496 10.281 1.00 1.24 N ATOM 0 H ASN A 12 -2.946 -6.705 9.874 1.00 3.44 H new ATOM 0 HA ASN A 12 -4.292 -7.345 12.364 1.00 73.01 H new ATOM 0 HB2 ASN A 12 -5.229 -4.979 11.920 1.00 53.51 H new ATOM 0 HB3 ASN A 12 -3.513 -5.126 12.247 1.00 53.51 H new ATOM 0 HD21 ASN A 12 -3.157 -2.988 9.428 1.00 1.24 H new ATOM 0 HD22 ASN A 12 -3.169 -3.093 11.192 1.00 1.24 H new ATOM 190 N GLY A 13 -5.749 -7.944 9.667 1.00 63.55 N ATOM 191 CA GLY A 13 -6.990 -8.353 9.037 1.00 64.40 C ATOM 192 C GLY A 13 -7.980 -7.213 8.910 1.00 42.33 C ATOM 193 O GLY A 13 -9.161 -7.371 9.217 1.00 53.34 O ATOM 0 H GLY A 13 -4.904 -8.218 9.166 1.00 63.55 H new ATOM 0 HA2 GLY A 13 -6.776 -8.756 8.047 1.00 64.40 H new ATOM 0 HA3 GLY A 13 -7.440 -9.158 9.618 1.00 64.40 H new ATOM 197 N ASP A 14 -7.498 -6.060 8.459 1.00 72.14 N ATOM 198 CA ASP A 14 -8.350 -4.887 8.293 1.00 25.22 C ATOM 199 C ASP A 14 -8.662 -4.647 6.820 1.00 72.13 C ATOM 200 O ASP A 14 -9.583 -3.904 6.484 1.00 74.51 O ATOM 201 CB ASP A 14 -7.674 -3.652 8.892 1.00 52.55 C ATOM 202 CG ASP A 14 -6.276 -3.434 8.347 1.00 12.33 C ATOM 203 OD1 ASP A 14 -5.900 -4.134 7.383 1.00 15.44 O ATOM 204 OD2 ASP A 14 -5.558 -2.566 8.884 1.00 41.24 O ATOM 0 H ASP A 14 -6.522 -5.912 8.202 1.00 72.14 H new ATOM 0 HA ASP A 14 -9.287 -5.070 8.819 1.00 25.22 H new ATOM 0 HB2 ASP A 14 -8.283 -2.772 8.685 1.00 52.55 H new ATOM 0 HB3 ASP A 14 -7.626 -3.758 9.976 1.00 52.55 H new ATOM 209 N GLY A 15 -7.889 -5.282 5.944 1.00 44.14 N ATOM 210 CA GLY A 15 -8.099 -5.123 4.517 1.00 60.04 C ATOM 211 C GLY A 15 -7.701 -3.747 4.022 1.00 71.22 C ATOM 212 O GLY A 15 -8.022 -3.368 2.895 1.00 50.42 O ATOM 0 H GLY A 15 -7.121 -5.904 6.197 1.00 44.14 H new ATOM 0 HA2 GLY A 15 -7.524 -5.879 3.982 1.00 60.04 H new ATOM 0 HA3 GLY A 15 -9.150 -5.299 4.286 1.00 60.04 H new ATOM 216 N ALA A 16 -7.002 -2.995 4.866 1.00 62.41 N ATOM 217 CA ALA A 16 -6.560 -1.653 4.508 1.00 25.21 C ATOM 218 C ALA A 16 -5.105 -1.430 4.905 1.00 51.23 C ATOM 219 O ALA A 16 -4.687 -1.797 6.004 1.00 51.54 O ATOM 220 CB ALA A 16 -7.454 -0.610 5.162 1.00 30.23 C ATOM 0 H ALA A 16 -6.730 -3.293 5.803 1.00 62.41 H new ATOM 0 HA ALA A 16 -6.633 -1.550 3.425 1.00 25.21 H new ATOM 0 HB1 ALA A 16 -7.112 0.387 4.886 1.00 30.23 H new ATOM 0 HB2 ALA A 16 -8.481 -0.748 4.824 1.00 30.23 H new ATOM 0 HB3 ALA A 16 -7.410 -0.721 6.245 1.00 30.23 H new ATOM 226 N VAL A 17 -4.336 -0.826 4.005 1.00 24.54 N ATOM 227 CA VAL A 17 -2.927 -0.554 4.263 1.00 24.30 C ATOM 228 C VAL A 17 -2.615 0.929 4.099 1.00 63.41 C ATOM 229 O VAL A 17 -2.809 1.500 3.026 1.00 64.03 O ATOM 230 CB VAL A 17 -2.017 -1.366 3.321 1.00 60.24 C ATOM 231 CG1 VAL A 17 -2.229 -2.858 3.528 1.00 44.45 C ATOM 232 CG2 VAL A 17 -2.270 -0.979 1.872 1.00 62.44 C ATOM 0 H VAL A 17 -4.665 -0.516 3.091 1.00 24.54 H new ATOM 0 HA VAL A 17 -2.730 -0.852 5.293 1.00 24.30 H new ATOM 0 HB VAL A 17 -0.979 -1.135 3.559 1.00 60.24 H new ATOM 0 HG11 VAL A 17 -1.578 -3.415 2.854 1.00 44.45 H new ATOM 0 HG12 VAL A 17 -1.993 -3.119 4.559 1.00 44.45 H new ATOM 0 HG13 VAL A 17 -3.269 -3.110 3.319 1.00 44.45 H new ATOM 0 HG21 VAL A 17 -1.619 -1.562 1.221 1.00 62.44 H new ATOM 0 HG22 VAL A 17 -3.311 -1.180 1.618 1.00 62.44 H new ATOM 0 HG23 VAL A 17 -2.062 0.082 1.737 1.00 62.44 H new ATOM 242 N SER A 18 -2.129 1.548 5.170 1.00 55.43 N ATOM 243 CA SER A 18 -1.794 2.967 5.148 1.00 71.22 C ATOM 244 C SER A 18 -0.376 3.181 4.626 1.00 54.33 C ATOM 245 O SER A 18 0.340 2.223 4.330 1.00 42.14 O ATOM 246 CB SER A 18 -1.931 3.568 6.547 1.00 1.41 C ATOM 247 OG SER A 18 -1.989 2.553 7.535 1.00 44.23 O ATOM 0 H SER A 18 -1.958 1.089 6.065 1.00 55.43 H new ATOM 0 HA SER A 18 -2.490 3.469 4.476 1.00 71.22 H new ATOM 0 HB2 SER A 18 -1.086 4.227 6.747 1.00 1.41 H new ATOM 0 HB3 SER A 18 -2.832 4.180 6.597 1.00 1.41 H new ATOM 0 HG SER A 18 -2.075 2.963 8.421 1.00 44.23 H new ATOM 253 N TYR A 19 0.023 4.444 4.517 1.00 35.52 N ATOM 254 CA TYR A 19 1.354 4.785 4.030 1.00 75.43 C ATOM 255 C TYR A 19 2.420 3.942 4.722 1.00 4.01 C ATOM 256 O TYR A 19 3.332 3.424 4.079 1.00 30.12 O ATOM 257 CB TYR A 19 1.636 6.271 4.254 1.00 40.13 C ATOM 258 CG TYR A 19 1.543 6.693 5.703 1.00 33.21 C ATOM 259 CD1 TYR A 19 0.316 6.987 6.284 1.00 74.31 C ATOM 260 CD2 TYR A 19 2.683 6.797 6.491 1.00 10.43 C ATOM 261 CE1 TYR A 19 0.227 7.373 7.607 1.00 51.25 C ATOM 262 CE2 TYR A 19 2.603 7.181 7.815 1.00 54.02 C ATOM 263 CZ TYR A 19 1.373 7.469 8.369 1.00 50.20 C ATOM 264 OH TYR A 19 1.288 7.852 9.687 1.00 54.44 O ATOM 0 H TYR A 19 -0.556 5.248 4.759 1.00 35.52 H new ATOM 0 HA TYR A 19 1.388 4.573 2.961 1.00 75.43 H new ATOM 0 HB2 TYR A 19 2.633 6.503 3.880 1.00 40.13 H new ATOM 0 HB3 TYR A 19 0.930 6.859 3.667 1.00 40.13 H new ATOM 0 HD1 TYR A 19 -0.584 6.912 5.691 1.00 74.31 H new ATOM 0 HD2 TYR A 19 3.648 6.574 6.061 1.00 10.43 H new ATOM 0 HE1 TYR A 19 -0.735 7.599 8.043 1.00 51.25 H new ATOM 0 HE2 TYR A 19 3.499 7.255 8.414 1.00 54.02 H new ATOM 0 HH TYR A 19 2.185 7.869 10.081 1.00 54.44 H new ATOM 274 N GLU A 20 2.298 3.812 6.040 1.00 13.14 N ATOM 275 CA GLU A 20 3.251 3.032 6.821 1.00 25.50 C ATOM 276 C GLU A 20 3.316 1.592 6.322 1.00 54.13 C ATOM 277 O GLU A 20 4.397 1.047 6.104 1.00 72.21 O ATOM 278 CB GLU A 20 2.870 3.054 8.302 1.00 42.12 C ATOM 279 CG GLU A 20 3.722 3.996 9.137 1.00 73.35 C ATOM 280 CD GLU A 20 3.855 3.541 10.577 1.00 54.03 C ATOM 281 OE1 GLU A 20 2.818 3.456 11.269 1.00 24.14 O ATOM 282 OE2 GLU A 20 4.992 3.272 11.013 1.00 25.34 O ATOM 0 H GLU A 20 1.550 4.236 6.588 1.00 13.14 H new ATOM 0 HA GLU A 20 4.236 3.484 6.700 1.00 25.50 H new ATOM 0 HB2 GLU A 20 1.824 3.346 8.395 1.00 42.12 H new ATOM 0 HB3 GLU A 20 2.957 2.045 8.706 1.00 42.12 H new ATOM 0 HG2 GLU A 20 4.714 4.074 8.692 1.00 73.35 H new ATOM 0 HG3 GLU A 20 3.283 4.993 9.114 1.00 73.35 H new ATOM 289 N GLU A 21 2.148 0.981 6.146 1.00 32.35 N ATOM 290 CA GLU A 21 2.071 -0.397 5.674 1.00 10.23 C ATOM 291 C GLU A 21 2.821 -0.564 4.357 1.00 23.13 C ATOM 292 O GLU A 21 3.516 -1.559 4.147 1.00 42.04 O ATOM 293 CB GLU A 21 0.610 -0.819 5.499 1.00 64.12 C ATOM 294 CG GLU A 21 -0.157 -0.913 6.807 1.00 60.32 C ATOM 295 CD GLU A 21 -1.177 -2.035 6.805 1.00 51.43 C ATOM 296 OE1 GLU A 21 -0.856 -3.126 6.290 1.00 12.13 O ATOM 297 OE2 GLU A 21 -2.295 -1.822 7.320 1.00 30.23 O ATOM 0 H GLU A 21 1.243 1.418 6.323 1.00 32.35 H new ATOM 0 HA GLU A 21 2.539 -1.037 6.422 1.00 10.23 H new ATOM 0 HB2 GLU A 21 0.110 -0.105 4.845 1.00 64.12 H new ATOM 0 HB3 GLU A 21 0.578 -1.787 4.998 1.00 64.12 H new ATOM 0 HG2 GLU A 21 0.546 -1.067 7.626 1.00 60.32 H new ATOM 0 HG3 GLU A 21 -0.664 0.033 6.996 1.00 60.32 H new ATOM 304 N VAL A 22 2.676 0.417 3.471 1.00 4.35 N ATOM 305 CA VAL A 22 3.340 0.380 2.174 1.00 22.24 C ATOM 306 C VAL A 22 4.856 0.358 2.332 1.00 1.24 C ATOM 307 O VAL A 22 5.534 -0.529 1.812 1.00 54.22 O ATOM 308 CB VAL A 22 2.943 1.589 1.305 1.00 24.24 C ATOM 309 CG1 VAL A 22 3.814 1.661 0.061 1.00 64.20 C ATOM 310 CG2 VAL A 22 1.470 1.515 0.932 1.00 23.34 C ATOM 0 H VAL A 22 2.104 1.247 3.628 1.00 4.35 H new ATOM 0 HA VAL A 22 3.016 -0.536 1.680 1.00 22.24 H new ATOM 0 HB VAL A 22 3.102 2.499 1.883 1.00 24.24 H new ATOM 0 HG11 VAL A 22 3.519 2.521 -0.540 1.00 64.20 H new ATOM 0 HG12 VAL A 22 4.859 1.764 0.354 1.00 64.20 H new ATOM 0 HG13 VAL A 22 3.689 0.750 -0.524 1.00 64.20 H new ATOM 0 HG21 VAL A 22 1.206 2.376 0.318 1.00 23.34 H new ATOM 0 HG22 VAL A 22 1.282 0.599 0.372 1.00 23.34 H new ATOM 0 HG23 VAL A 22 0.865 1.516 1.838 1.00 23.34 H new ATOM 320 N LYS A 23 5.383 1.340 3.055 1.00 25.32 N ATOM 321 CA LYS A 23 6.820 1.434 3.286 1.00 22.43 C ATOM 322 C LYS A 23 7.361 0.141 3.886 1.00 12.00 C ATOM 323 O LYS A 23 8.478 -0.278 3.580 1.00 43.54 O ATOM 324 CB LYS A 23 7.133 2.610 4.215 1.00 71.40 C ATOM 325 CG LYS A 23 7.106 3.959 3.519 1.00 61.42 C ATOM 326 CD LYS A 23 8.481 4.345 2.998 1.00 32.45 C ATOM 327 CE LYS A 23 8.842 3.563 1.743 1.00 51.31 C ATOM 328 NZ LYS A 23 10.042 4.125 1.066 1.00 71.32 N ATOM 0 H LYS A 23 4.836 2.082 3.491 1.00 25.32 H new ATOM 0 HA LYS A 23 7.306 1.599 2.325 1.00 22.43 H new ATOM 0 HB2 LYS A 23 6.412 2.618 5.033 1.00 71.40 H new ATOM 0 HB3 LYS A 23 8.117 2.459 4.659 1.00 71.40 H new ATOM 0 HG2 LYS A 23 6.398 3.928 2.691 1.00 61.42 H new ATOM 0 HG3 LYS A 23 6.752 4.721 4.213 1.00 61.42 H new ATOM 0 HD2 LYS A 23 8.502 5.413 2.781 1.00 32.45 H new ATOM 0 HD3 LYS A 23 9.228 4.161 3.770 1.00 32.45 H new ATOM 0 HE2 LYS A 23 9.027 2.521 2.005 1.00 51.31 H new ATOM 0 HE3 LYS A 23 7.998 3.573 1.053 1.00 51.31 H new ATOM 0 HZ1 LYS A 23 9.993 3.922 0.047 1.00 71.32 H new ATOM 0 HZ2 LYS A 23 10.073 5.154 1.213 1.00 71.32 H new ATOM 0 HZ3 LYS A 23 10.900 3.692 1.464 1.00 71.32 H new ATOM 342 N ALA A 24 6.561 -0.490 4.740 1.00 63.50 N ATOM 343 CA ALA A 24 6.959 -1.738 5.380 1.00 64.05 C ATOM 344 C ALA A 24 7.054 -2.871 4.363 1.00 62.44 C ATOM 345 O ALA A 24 7.998 -3.660 4.383 1.00 4.30 O ATOM 346 CB ALA A 24 5.979 -2.100 6.485 1.00 54.35 C ATOM 0 H ALA A 24 5.634 -0.157 5.004 1.00 63.50 H new ATOM 0 HA ALA A 24 7.947 -1.594 5.818 1.00 64.05 H new ATOM 0 HB1 ALA A 24 6.288 -3.034 6.954 1.00 54.35 H new ATOM 0 HB2 ALA A 24 5.964 -1.306 7.232 1.00 54.35 H new ATOM 0 HB3 ALA A 24 4.982 -2.220 6.062 1.00 54.35 H new ATOM 352 N PHE A 25 6.069 -2.945 3.474 1.00 34.21 N ATOM 353 CA PHE A 25 6.041 -3.983 2.449 1.00 53.33 C ATOM 354 C PHE A 25 7.366 -4.039 1.696 1.00 53.24 C ATOM 355 O PHE A 25 7.984 -5.097 1.582 1.00 41.10 O ATOM 356 CB PHE A 25 4.893 -3.730 1.469 1.00 45.20 C ATOM 357 CG PHE A 25 4.371 -4.980 0.822 1.00 61.21 C ATOM 358 CD1 PHE A 25 5.103 -6.156 0.866 1.00 73.52 C ATOM 359 CD2 PHE A 25 3.148 -4.981 0.171 1.00 60.25 C ATOM 360 CE1 PHE A 25 4.624 -7.309 0.271 1.00 41.10 C ATOM 361 CE2 PHE A 25 2.664 -6.130 -0.425 1.00 2.40 C ATOM 362 CZ PHE A 25 3.403 -7.295 -0.375 1.00 25.41 C ATOM 0 H PHE A 25 5.280 -2.299 3.442 1.00 34.21 H new ATOM 0 HA PHE A 25 5.883 -4.942 2.942 1.00 53.33 H new ATOM 0 HB2 PHE A 25 4.077 -3.236 1.997 1.00 45.20 H new ATOM 0 HB3 PHE A 25 5.233 -3.044 0.693 1.00 45.20 H new ATOM 0 HD1 PHE A 25 6.058 -6.172 1.370 1.00 73.52 H new ATOM 0 HD2 PHE A 25 2.566 -4.072 0.129 1.00 60.25 H new ATOM 0 HE1 PHE A 25 5.204 -8.219 0.311 1.00 41.10 H new ATOM 0 HE2 PHE A 25 1.709 -6.117 -0.929 1.00 2.40 H new ATOM 0 HZ PHE A 25 3.027 -8.194 -0.840 1.00 25.41 H new ATOM 372 N VAL A 26 7.797 -2.891 1.181 1.00 75.13 N ATOM 373 CA VAL A 26 9.048 -2.809 0.439 1.00 60.43 C ATOM 374 C VAL A 26 10.247 -3.021 1.356 1.00 23.10 C ATOM 375 O VAL A 26 11.293 -3.508 0.925 1.00 11.41 O ATOM 376 CB VAL A 26 9.193 -1.448 -0.269 1.00 74.32 C ATOM 377 CG1 VAL A 26 9.949 -0.465 0.612 1.00 74.32 C ATOM 378 CG2 VAL A 26 9.887 -1.617 -1.612 1.00 63.15 C ATOM 0 H VAL A 26 7.297 -2.006 1.265 1.00 75.13 H new ATOM 0 HA VAL A 26 9.023 -3.600 -0.310 1.00 60.43 H new ATOM 0 HB VAL A 26 8.197 -1.044 -0.450 1.00 74.32 H new ATOM 0 HG11 VAL A 26 10.041 0.490 0.095 1.00 74.32 H new ATOM 0 HG12 VAL A 26 9.406 -0.321 1.546 1.00 74.32 H new ATOM 0 HG13 VAL A 26 10.942 -0.859 0.827 1.00 74.32 H new ATOM 0 HG21 VAL A 26 9.981 -0.646 -2.098 1.00 63.15 H new ATOM 0 HG22 VAL A 26 10.878 -2.043 -1.458 1.00 63.15 H new ATOM 0 HG23 VAL A 26 9.300 -2.283 -2.244 1.00 63.15 H new ATOM 388 N SER A 27 10.088 -2.653 2.623 1.00 53.21 N ATOM 389 CA SER A 27 11.158 -2.800 3.602 1.00 62.23 C ATOM 390 C SER A 27 11.566 -4.263 3.745 1.00 32.01 C ATOM 391 O SER A 27 12.686 -4.571 4.152 1.00 25.32 O ATOM 392 CB SER A 27 10.717 -2.246 4.958 1.00 2.34 C ATOM 393 OG SER A 27 11.481 -1.107 5.317 1.00 73.23 O ATOM 0 H SER A 27 9.228 -2.251 2.996 1.00 53.21 H new ATOM 0 HA SER A 27 12.020 -2.234 3.250 1.00 62.23 H new ATOM 0 HB2 SER A 27 9.660 -1.982 4.920 1.00 2.34 H new ATOM 0 HB3 SER A 27 10.826 -3.016 5.722 1.00 2.34 H new ATOM 0 HG SER A 27 11.179 -0.771 6.186 1.00 73.23 H new ATOM 399 N LYS A 28 10.648 -5.162 3.409 1.00 20.34 N ATOM 400 CA LYS A 28 10.910 -6.594 3.498 1.00 74.22 C ATOM 401 C LYS A 28 11.846 -7.046 2.382 1.00 43.52 C ATOM 402 O LYS A 28 12.301 -8.191 2.364 1.00 44.44 O ATOM 403 CB LYS A 28 9.597 -7.378 3.425 1.00 32.30 C ATOM 404 CG LYS A 28 9.016 -7.718 4.786 1.00 1.15 C ATOM 405 CD LYS A 28 8.840 -6.477 5.644 1.00 61.50 C ATOM 406 CE LYS A 28 8.307 -6.824 7.025 1.00 13.50 C ATOM 407 NZ LYS A 28 6.854 -7.150 6.994 1.00 30.01 N ATOM 0 H LYS A 28 9.715 -4.925 3.072 1.00 20.34 H new ATOM 0 HA LYS A 28 11.392 -6.791 4.455 1.00 74.22 H new ATOM 0 HB2 LYS A 28 8.867 -6.796 2.863 1.00 32.30 H new ATOM 0 HB3 LYS A 28 9.765 -8.301 2.870 1.00 32.30 H new ATOM 0 HG2 LYS A 28 8.053 -8.212 4.658 1.00 1.15 H new ATOM 0 HG3 LYS A 28 9.671 -8.424 5.296 1.00 1.15 H new ATOM 0 HD2 LYS A 28 9.796 -5.962 5.741 1.00 61.50 H new ATOM 0 HD3 LYS A 28 8.155 -5.787 5.151 1.00 61.50 H new ATOM 0 HE2 LYS A 28 8.861 -7.673 7.425 1.00 13.50 H new ATOM 0 HE3 LYS A 28 8.477 -5.986 7.701 1.00 13.50 H new ATOM 0 HZ1 LYS A 28 6.529 -7.381 7.955 1.00 30.01 H new ATOM 0 HZ2 LYS A 28 6.322 -6.331 6.636 1.00 30.01 H new ATOM 0 HZ3 LYS A 28 6.695 -7.966 6.369 1.00 30.01 H new ATOM 421 N LYS A 29 12.134 -6.141 1.453 1.00 53.04 N ATOM 422 CA LYS A 29 13.019 -6.444 0.336 1.00 22.32 C ATOM 423 C LYS A 29 14.372 -5.762 0.512 1.00 1.54 C ATOM 424 O LYS A 29 15.394 -6.258 0.037 1.00 31.03 O ATOM 425 CB LYS A 29 12.381 -6.000 -0.983 1.00 12.54 C ATOM 426 CG LYS A 29 10.896 -6.308 -1.074 1.00 44.53 C ATOM 427 CD LYS A 29 10.614 -7.775 -0.801 1.00 35.22 C ATOM 428 CE LYS A 29 11.307 -8.675 -1.814 1.00 44.44 C ATOM 429 NZ LYS A 29 12.444 -9.420 -1.206 1.00 31.31 N ATOM 0 H LYS A 29 11.766 -5.190 1.452 1.00 53.04 H new ATOM 0 HA LYS A 29 13.176 -7.522 0.313 1.00 22.32 H new ATOM 0 HB2 LYS A 29 12.529 -4.927 -1.106 1.00 12.54 H new ATOM 0 HB3 LYS A 29 12.896 -6.490 -1.809 1.00 12.54 H new ATOM 0 HG2 LYS A 29 10.351 -5.692 -0.358 1.00 44.53 H new ATOM 0 HG3 LYS A 29 10.529 -6.044 -2.066 1.00 44.53 H new ATOM 0 HD2 LYS A 29 10.950 -8.030 0.204 1.00 35.22 H new ATOM 0 HD3 LYS A 29 9.539 -7.952 -0.832 1.00 35.22 H new ATOM 0 HE2 LYS A 29 10.587 -9.383 -2.224 1.00 44.44 H new ATOM 0 HE3 LYS A 29 11.671 -8.073 -2.646 1.00 44.44 H new ATOM 0 HZ1 LYS A 29 12.541 -10.345 -1.671 1.00 31.31 H new ATOM 0 HZ2 LYS A 29 13.322 -8.876 -1.330 1.00 31.31 H new ATOM 0 HZ3 LYS A 29 12.264 -9.560 -0.191 1.00 31.31 H new ATOM 443 N ARG A 30 14.372 -4.625 1.200 1.00 14.14 N ATOM 444 CA ARG A 30 15.599 -3.876 1.440 1.00 21.03 C ATOM 445 C ARG A 30 15.335 -2.672 2.338 1.00 62.15 C ATOM 446 O ARG A 30 14.234 -2.505 2.862 1.00 21.00 O ATOM 447 CB ARG A 30 16.207 -3.415 0.114 1.00 44.43 C ATOM 448 CG ARG A 30 15.235 -2.647 -0.767 1.00 20.25 C ATOM 449 CD ARG A 30 15.276 -3.141 -2.204 1.00 23.11 C ATOM 450 NE ARG A 30 16.645 -3.277 -2.696 1.00 33.33 N ATOM 451 CZ ARG A 30 16.980 -4.034 -3.736 1.00 4.02 C ATOM 452 NH1 ARG A 30 16.051 -4.719 -4.389 1.00 23.02 N ATOM 453 NH2 ARG A 30 18.247 -4.107 -4.124 1.00 21.22 N ATOM 0 H ARG A 30 13.535 -4.202 1.601 1.00 14.14 H new ATOM 0 HA ARG A 30 16.305 -4.535 1.946 1.00 21.03 H new ATOM 0 HB2 ARG A 30 17.073 -2.785 0.320 1.00 44.43 H new ATOM 0 HB3 ARG A 30 16.569 -4.286 -0.432 1.00 44.43 H new ATOM 0 HG2 ARG A 30 14.224 -2.753 -0.373 1.00 20.25 H new ATOM 0 HG3 ARG A 30 15.478 -1.585 -0.739 1.00 20.25 H new ATOM 0 HD2 ARG A 30 14.769 -4.104 -2.271 1.00 23.11 H new ATOM 0 HD3 ARG A 30 14.729 -2.447 -2.842 1.00 23.11 H new ATOM 0 HE ARG A 30 17.384 -2.763 -2.215 1.00 33.33 H new ATOM 0 HH11 ARG A 30 15.076 -4.666 -4.094 1.00 23.02 H new ATOM 0 HH12 ARG A 30 16.311 -5.299 -5.187 1.00 23.02 H new ATOM 0 HH21 ARG A 30 18.965 -3.582 -3.624 1.00 21.22 H new ATOM 0 HH22 ARG A 30 18.503 -4.688 -4.922 1.00 21.22 H new ATOM 467 N ALA A 31 16.353 -1.835 2.511 1.00 53.00 N ATOM 468 CA ALA A 31 16.230 -0.645 3.344 1.00 14.23 C ATOM 469 C ALA A 31 16.364 0.625 2.511 1.00 61.54 C ATOM 470 O ALA A 31 17.473 1.091 2.247 1.00 45.51 O ATOM 471 CB ALA A 31 17.274 -0.665 4.451 1.00 12.43 C ATOM 0 H ALA A 31 17.272 -1.959 2.085 1.00 53.00 H new ATOM 0 HA ALA A 31 15.238 -0.649 3.795 1.00 14.23 H new ATOM 0 HB1 ALA A 31 17.170 0.230 5.065 1.00 12.43 H new ATOM 0 HB2 ALA A 31 17.130 -1.550 5.071 1.00 12.43 H new ATOM 0 HB3 ALA A 31 18.271 -0.689 4.011 1.00 12.43 H new ATOM 477 N ILE A 32 15.230 1.179 2.098 1.00 52.10 N ATOM 478 CA ILE A 32 15.221 2.396 1.295 1.00 20.55 C ATOM 479 C ILE A 32 14.214 3.404 1.835 1.00 72.34 C ATOM 480 O ILE A 32 13.010 3.274 1.616 1.00 34.10 O ATOM 481 CB ILE A 32 14.891 2.094 -0.178 1.00 71.53 C ATOM 482 CG1 ILE A 32 13.676 1.170 -0.273 1.00 54.13 C ATOM 483 CG2 ILE A 32 16.093 1.472 -0.875 1.00 55.31 C ATOM 484 CD1 ILE A 32 12.700 1.564 -1.359 1.00 35.21 C ATOM 0 H ILE A 32 14.304 0.805 2.306 1.00 52.10 H new ATOM 0 HA ILE A 32 16.223 2.822 1.355 1.00 20.55 H new ATOM 0 HB ILE A 32 14.650 3.031 -0.680 1.00 71.53 H new ATOM 0 HG12 ILE A 32 14.018 0.151 -0.455 1.00 54.13 H new ATOM 0 HG13 ILE A 32 13.158 1.165 0.686 1.00 54.13 H new ATOM 0 HG21 ILE A 32 15.843 1.265 -1.915 1.00 55.31 H new ATOM 0 HG22 ILE A 32 16.935 2.163 -0.835 1.00 55.31 H new ATOM 0 HG23 ILE A 32 16.363 0.542 -0.374 1.00 55.31 H new ATOM 0 HD11 ILE A 32 11.864 0.865 -1.368 1.00 35.21 H new ATOM 0 HD12 ILE A 32 12.329 2.571 -1.167 1.00 35.21 H new ATOM 0 HD13 ILE A 32 13.203 1.541 -2.326 1.00 35.21 H new ATOM 496 N LYS A 33 14.714 4.413 2.540 1.00 63.12 N ATOM 497 CA LYS A 33 13.859 5.448 3.110 1.00 64.11 C ATOM 498 C LYS A 33 13.493 6.490 2.058 1.00 50.32 C ATOM 499 O LYS A 33 14.318 7.318 1.677 1.00 71.15 O ATOM 500 CB LYS A 33 14.560 6.124 4.290 1.00 42.53 C ATOM 501 CG LYS A 33 15.400 5.173 5.125 1.00 40.33 C ATOM 502 CD LYS A 33 15.836 5.815 6.431 1.00 4.54 C ATOM 503 CE LYS A 33 17.352 5.881 6.542 1.00 21.30 C ATOM 504 NZ LYS A 33 17.902 4.737 7.320 1.00 30.44 N ATOM 0 H LYS A 33 15.708 4.536 2.731 1.00 63.12 H new ATOM 0 HA LYS A 33 12.942 4.975 3.462 1.00 64.11 H new ATOM 0 HB2 LYS A 33 15.198 6.923 3.913 1.00 42.53 H new ATOM 0 HB3 LYS A 33 13.810 6.589 4.929 1.00 42.53 H new ATOM 0 HG2 LYS A 33 14.827 4.270 5.336 1.00 40.33 H new ATOM 0 HG3 LYS A 33 16.279 4.868 4.557 1.00 40.33 H new ATOM 0 HD2 LYS A 33 15.421 6.821 6.499 1.00 4.54 H new ATOM 0 HD3 LYS A 33 15.433 5.246 7.269 1.00 4.54 H new ATOM 0 HE2 LYS A 33 17.789 5.885 5.544 1.00 21.30 H new ATOM 0 HE3 LYS A 33 17.641 6.817 7.020 1.00 21.30 H new ATOM 0 HZ1 LYS A 33 18.937 4.819 7.373 1.00 30.44 H new ATOM 0 HZ2 LYS A 33 17.505 4.748 8.281 1.00 30.44 H new ATOM 0 HZ3 LYS A 33 17.649 3.844 6.851 1.00 30.44 H new ATOM 518 N ASN A 34 12.249 6.442 1.593 1.00 55.33 N ATOM 519 CA ASN A 34 11.771 7.383 0.586 1.00 44.14 C ATOM 520 C ASN A 34 10.542 8.137 1.084 1.00 31.12 C ATOM 521 O ASN A 34 9.431 7.608 1.070 1.00 42.21 O ATOM 522 CB ASN A 34 11.441 6.647 -0.714 1.00 4.20 C ATOM 523 CG ASN A 34 12.638 5.909 -1.280 1.00 4.41 C ATOM 524 OD1 ASN A 34 13.682 6.505 -1.544 1.00 73.32 O ATOM 525 ND2 ASN A 34 12.492 4.602 -1.468 1.00 62.32 N ATOM 0 H ASN A 34 11.553 5.761 1.897 1.00 55.33 H new ATOM 0 HA ASN A 34 12.564 8.106 0.395 1.00 44.14 H new ATOM 0 HB2 ASN A 34 10.633 5.938 -0.532 1.00 4.20 H new ATOM 0 HB3 ASN A 34 11.077 7.363 -1.451 1.00 4.20 H new ATOM 0 HD21 ASN A 34 13.264 4.052 -1.845 1.00 62.32 H new ATOM 0 HD22 ASN A 34 11.608 4.149 -1.235 1.00 62.32 H new ATOM 532 N GLU A 35 10.750 9.375 1.522 1.00 12.15 N ATOM 533 CA GLU A 35 9.657 10.200 2.025 1.00 21.12 C ATOM 534 C GLU A 35 8.791 10.712 0.878 1.00 22.12 C ATOM 535 O GLU A 35 7.565 10.737 0.977 1.00 53.22 O ATOM 536 CB GLU A 35 10.208 11.379 2.828 1.00 51.54 C ATOM 537 CG GLU A 35 9.779 11.375 4.287 1.00 61.21 C ATOM 538 CD GLU A 35 8.285 11.178 4.454 1.00 0.20 C ATOM 539 OE1 GLU A 35 7.518 12.063 4.021 1.00 30.34 O ATOM 540 OE2 GLU A 35 7.883 10.139 5.020 1.00 60.14 O ATOM 0 H GLU A 35 11.664 9.828 1.539 1.00 12.15 H new ATOM 0 HA GLU A 35 9.039 9.583 2.677 1.00 21.12 H new ATOM 0 HB2 GLU A 35 11.297 11.365 2.778 1.00 51.54 H new ATOM 0 HB3 GLU A 35 9.880 12.309 2.364 1.00 51.54 H new ATOM 0 HG2 GLU A 35 10.308 10.582 4.815 1.00 61.21 H new ATOM 0 HG3 GLU A 35 10.072 12.317 4.751 1.00 61.21 H new ATOM 547 N GLN A 36 9.438 11.120 -0.209 1.00 62.33 N ATOM 548 CA GLN A 36 8.728 11.633 -1.374 1.00 35.11 C ATOM 549 C GLN A 36 8.013 10.507 -2.114 1.00 63.34 C ATOM 550 O GLN A 36 6.824 10.608 -2.420 1.00 13.52 O ATOM 551 CB GLN A 36 9.699 12.344 -2.318 1.00 43.54 C ATOM 552 CG GLN A 36 9.087 13.538 -3.034 1.00 54.35 C ATOM 553 CD GLN A 36 8.986 13.331 -4.531 1.00 74.32 C ATOM 554 OE1 GLN A 36 9.942 13.574 -5.269 1.00 75.41 O ATOM 555 NE2 GLN A 36 7.824 12.880 -4.991 1.00 44.12 N ATOM 0 H GLN A 36 10.453 11.105 -0.307 1.00 62.33 H new ATOM 0 HA GLN A 36 7.981 12.348 -1.028 1.00 35.11 H new ATOM 0 HB2 GLN A 36 10.567 12.678 -1.749 1.00 43.54 H new ATOM 0 HB3 GLN A 36 10.059 11.631 -3.060 1.00 43.54 H new ATOM 0 HG2 GLN A 36 8.093 13.729 -2.630 1.00 54.35 H new ATOM 0 HG3 GLN A 36 9.689 14.425 -2.833 1.00 54.35 H new ATOM 0 HE21 GLN A 36 7.058 12.692 -4.344 1.00 44.12 H new ATOM 0 HE22 GLN A 36 7.698 12.722 -5.991 1.00 44.12 H new ATOM 564 N LEU A 37 8.745 9.437 -2.402 1.00 11.22 N ATOM 565 CA LEU A 37 8.181 8.292 -3.108 1.00 3.23 C ATOM 566 C LEU A 37 7.022 7.685 -2.323 1.00 2.03 C ATOM 567 O LEU A 37 6.008 7.288 -2.899 1.00 24.12 O ATOM 568 CB LEU A 37 9.259 7.233 -3.347 1.00 62.22 C ATOM 569 CG LEU A 37 10.574 7.738 -3.942 1.00 2.44 C ATOM 570 CD1 LEU A 37 11.525 6.578 -4.194 1.00 61.43 C ATOM 571 CD2 LEU A 37 10.317 8.510 -5.227 1.00 22.43 C ATOM 0 H LEU A 37 9.730 9.338 -2.158 1.00 11.22 H new ATOM 0 HA LEU A 37 7.803 8.640 -4.069 1.00 3.23 H new ATOM 0 HB2 LEU A 37 9.477 6.744 -2.398 1.00 62.22 H new ATOM 0 HB3 LEU A 37 8.851 6.471 -4.012 1.00 62.22 H new ATOM 0 HG LEU A 37 11.040 8.414 -3.225 1.00 2.44 H new ATOM 0 HD11 LEU A 37 12.456 6.956 -4.617 1.00 61.43 H new ATOM 0 HD12 LEU A 37 11.735 6.069 -3.253 1.00 61.43 H new ATOM 0 HD13 LEU A 37 11.067 5.877 -4.892 1.00 61.43 H new ATOM 0 HD21 LEU A 37 11.264 8.862 -5.636 1.00 22.43 H new ATOM 0 HD22 LEU A 37 9.829 7.858 -5.951 1.00 22.43 H new ATOM 0 HD23 LEU A 37 9.674 9.364 -5.016 1.00 22.43 H new ATOM 583 N LEU A 38 7.177 7.618 -1.006 1.00 43.35 N ATOM 584 CA LEU A 38 6.143 7.063 -0.140 1.00 32.33 C ATOM 585 C LEU A 38 4.862 7.886 -0.224 1.00 60.44 C ATOM 586 O LEU A 38 3.771 7.340 -0.386 1.00 1.43 O ATOM 587 CB LEU A 38 6.636 7.010 1.307 1.00 13.42 C ATOM 588 CG LEU A 38 5.580 6.682 2.364 1.00 74.45 C ATOM 589 CD1 LEU A 38 4.804 7.933 2.749 1.00 33.32 C ATOM 590 CD2 LEU A 38 4.635 5.602 1.857 1.00 2.21 C ATOM 0 H LEU A 38 8.010 7.941 -0.514 1.00 43.35 H new ATOM 0 HA LEU A 38 5.924 6.051 -0.480 1.00 32.33 H new ATOM 0 HB2 LEU A 38 7.430 6.266 1.372 1.00 13.42 H new ATOM 0 HB3 LEU A 38 7.081 7.974 1.554 1.00 13.42 H new ATOM 0 HG LEU A 38 6.087 6.305 3.252 1.00 74.45 H new ATOM 0 HD11 LEU A 38 4.057 7.681 3.502 1.00 33.32 H new ATOM 0 HD12 LEU A 38 5.490 8.677 3.154 1.00 33.32 H new ATOM 0 HD13 LEU A 38 4.308 8.339 1.868 1.00 33.32 H new ATOM 0 HD21 LEU A 38 3.891 5.381 2.622 1.00 2.21 H new ATOM 0 HD22 LEU A 38 4.135 5.951 0.954 1.00 2.21 H new ATOM 0 HD23 LEU A 38 5.202 4.699 1.632 1.00 2.21 H new ATOM 602 N GLN A 39 5.003 9.204 -0.115 1.00 25.31 N ATOM 603 CA GLN A 39 3.858 10.103 -0.181 1.00 15.32 C ATOM 604 C GLN A 39 3.174 10.017 -1.542 1.00 4.32 C ATOM 605 O GLN A 39 1.962 9.819 -1.628 1.00 0.22 O ATOM 606 CB GLN A 39 4.296 11.542 0.093 1.00 42.22 C ATOM 607 CG GLN A 39 3.816 12.081 1.431 1.00 2.41 C ATOM 608 CD GLN A 39 2.684 13.080 1.286 1.00 2.51 C ATOM 609 OE1 GLN A 39 2.846 14.265 1.580 1.00 33.01 O ATOM 610 NE2 GLN A 39 1.530 12.605 0.831 1.00 40.32 N ATOM 0 H GLN A 39 5.899 9.672 0.019 1.00 25.31 H new ATOM 0 HA GLN A 39 3.144 9.796 0.583 1.00 15.32 H new ATOM 0 HB2 GLN A 39 5.384 11.594 0.059 1.00 42.22 H new ATOM 0 HB3 GLN A 39 3.921 12.185 -0.704 1.00 42.22 H new ATOM 0 HG2 GLN A 39 3.485 11.251 2.055 1.00 2.41 H new ATOM 0 HG3 GLN A 39 4.650 12.556 1.948 1.00 2.41 H new ATOM 0 HE21 GLN A 39 1.441 11.615 0.600 1.00 40.32 H new ATOM 0 HE22 GLN A 39 0.732 13.230 0.713 1.00 40.32 H new ATOM 619 N LEU A 40 3.960 10.167 -2.603 1.00 4.55 N ATOM 620 CA LEU A 40 3.431 10.106 -3.960 1.00 32.15 C ATOM 621 C LEU A 40 2.807 8.743 -4.241 1.00 75.12 C ATOM 622 O LEU A 40 1.661 8.653 -4.685 1.00 20.02 O ATOM 623 CB LEU A 40 4.541 10.390 -4.974 1.00 50.11 C ATOM 624 CG LEU A 40 4.149 11.253 -6.174 1.00 12.01 C ATOM 625 CD1 LEU A 40 5.310 11.369 -7.150 1.00 15.22 C ATOM 626 CD2 LEU A 40 2.922 10.677 -6.867 1.00 10.10 C ATOM 0 H LEU A 40 4.965 10.332 -2.549 1.00 4.55 H new ATOM 0 HA LEU A 40 2.656 10.866 -4.056 1.00 32.15 H new ATOM 0 HB2 LEU A 40 5.365 10.879 -4.454 1.00 50.11 H new ATOM 0 HB3 LEU A 40 4.919 9.437 -5.345 1.00 50.11 H new ATOM 0 HG LEU A 40 3.903 12.252 -5.814 1.00 12.01 H new ATOM 0 HD11 LEU A 40 5.013 11.987 -7.997 1.00 15.22 H new ATOM 0 HD12 LEU A 40 6.162 11.827 -6.649 1.00 15.22 H new ATOM 0 HD13 LEU A 40 5.588 10.376 -7.504 1.00 15.22 H new ATOM 0 HD21 LEU A 40 2.657 11.304 -7.719 1.00 10.10 H new ATOM 0 HD22 LEU A 40 3.141 9.667 -7.214 1.00 10.10 H new ATOM 0 HD23 LEU A 40 2.088 10.647 -6.165 1.00 10.10 H new ATOM 638 N ILE A 41 3.567 7.684 -3.979 1.00 40.04 N ATOM 639 CA ILE A 41 3.087 6.326 -4.201 1.00 55.40 C ATOM 640 C ILE A 41 1.863 6.029 -3.340 1.00 55.12 C ATOM 641 O ILE A 41 0.978 5.272 -3.740 1.00 35.12 O ATOM 642 CB ILE A 41 4.180 5.285 -3.895 1.00 62.22 C ATOM 643 CG1 ILE A 41 5.311 5.387 -4.921 1.00 50.12 C ATOM 644 CG2 ILE A 41 3.589 3.884 -3.887 1.00 12.23 C ATOM 645 CD1 ILE A 41 6.602 4.746 -4.462 1.00 3.21 C ATOM 0 H ILE A 41 4.517 7.741 -3.613 1.00 40.04 H new ATOM 0 HA ILE A 41 2.815 6.256 -5.254 1.00 55.40 H new ATOM 0 HB ILE A 41 4.591 5.490 -2.906 1.00 62.22 H new ATOM 0 HG12 ILE A 41 4.991 4.916 -5.850 1.00 50.12 H new ATOM 0 HG13 ILE A 41 5.495 6.438 -5.143 1.00 50.12 H new ATOM 0 HG21 ILE A 41 4.374 3.159 -3.669 1.00 12.23 H new ATOM 0 HG22 ILE A 41 2.814 3.820 -3.123 1.00 12.23 H new ATOM 0 HG23 ILE A 41 3.155 3.667 -4.863 1.00 12.23 H new ATOM 0 HD11 ILE A 41 7.359 4.856 -5.239 1.00 3.21 H new ATOM 0 HD12 ILE A 41 6.945 5.233 -3.549 1.00 3.21 H new ATOM 0 HD13 ILE A 41 6.433 3.687 -4.267 1.00 3.21 H new ATOM 657 N PHE A 42 1.818 6.631 -2.156 1.00 2.44 N ATOM 658 CA PHE A 42 0.703 6.431 -1.238 1.00 52.12 C ATOM 659 C PHE A 42 -0.608 6.898 -1.866 1.00 5.52 C ATOM 660 O PHE A 42 -1.605 6.176 -1.858 1.00 51.44 O ATOM 661 CB PHE A 42 0.951 7.182 0.071 1.00 0.21 C ATOM 662 CG PHE A 42 -0.250 7.230 0.972 1.00 50.20 C ATOM 663 CD1 PHE A 42 -0.743 6.073 1.553 1.00 20.24 C ATOM 664 CD2 PHE A 42 -0.886 8.431 1.237 1.00 44.23 C ATOM 665 CE1 PHE A 42 -1.847 6.113 2.383 1.00 35.34 C ATOM 666 CE2 PHE A 42 -1.990 8.477 2.067 1.00 74.44 C ATOM 667 CZ PHE A 42 -2.473 7.317 2.639 1.00 51.30 C ATOM 0 H PHE A 42 2.541 7.262 -1.810 1.00 2.44 H new ATOM 0 HA PHE A 42 0.625 5.365 -1.027 1.00 52.12 H new ATOM 0 HB2 PHE A 42 1.775 6.707 0.603 1.00 0.21 H new ATOM 0 HB3 PHE A 42 1.265 8.201 -0.158 1.00 0.21 H new ATOM 0 HD1 PHE A 42 -0.259 5.128 1.355 1.00 20.24 H new ATOM 0 HD2 PHE A 42 -0.515 9.342 0.790 1.00 44.23 H new ATOM 0 HE1 PHE A 42 -2.220 5.204 2.831 1.00 35.34 H new ATOM 0 HE2 PHE A 42 -2.475 9.421 2.268 1.00 74.44 H new ATOM 0 HZ PHE A 42 -3.338 7.351 3.285 1.00 51.30 H new ATOM 677 N LYS A 43 -0.597 8.111 -2.408 1.00 73.51 N ATOM 678 CA LYS A 43 -1.783 8.676 -3.041 1.00 71.14 C ATOM 679 C LYS A 43 -2.071 7.987 -4.370 1.00 74.34 C ATOM 680 O LYS A 43 -3.226 7.865 -4.779 1.00 32.32 O ATOM 681 CB LYS A 43 -1.600 10.180 -3.262 1.00 30.24 C ATOM 682 CG LYS A 43 -2.800 11.008 -2.838 1.00 1.43 C ATOM 683 CD LYS A 43 -2.376 12.340 -2.243 1.00 62.35 C ATOM 684 CE LYS A 43 -3.144 13.498 -2.864 1.00 24.43 C ATOM 685 NZ LYS A 43 -2.611 13.858 -4.207 1.00 64.25 N ATOM 0 H LYS A 43 0.220 8.722 -2.422 1.00 73.51 H new ATOM 0 HA LYS A 43 -2.632 8.513 -2.377 1.00 71.14 H new ATOM 0 HB2 LYS A 43 -0.723 10.516 -2.708 1.00 30.24 H new ATOM 0 HB3 LYS A 43 -1.399 10.362 -4.318 1.00 30.24 H new ATOM 0 HG2 LYS A 43 -3.446 11.182 -3.699 1.00 1.43 H new ATOM 0 HG3 LYS A 43 -3.387 10.452 -2.107 1.00 1.43 H new ATOM 0 HD2 LYS A 43 -2.542 12.328 -1.166 1.00 62.35 H new ATOM 0 HD3 LYS A 43 -1.307 12.486 -2.399 1.00 62.35 H new ATOM 0 HE2 LYS A 43 -4.197 13.231 -2.951 1.00 24.43 H new ATOM 0 HE3 LYS A 43 -3.088 14.365 -2.206 1.00 24.43 H new ATOM 0 HZ1 LYS A 43 -3.160 14.650 -4.597 1.00 64.25 H new ATOM 0 HZ2 LYS A 43 -1.613 14.137 -4.121 1.00 64.25 H new ATOM 0 HZ3 LYS A 43 -2.687 13.038 -4.842 1.00 64.25 H new ATOM 699 N SER A 44 -1.015 7.538 -5.040 1.00 52.04 N ATOM 700 CA SER A 44 -1.155 6.863 -6.326 1.00 42.43 C ATOM 701 C SER A 44 -1.794 5.489 -6.150 1.00 31.43 C ATOM 702 O SER A 44 -2.764 5.152 -6.829 1.00 51.54 O ATOM 703 CB SER A 44 0.209 6.722 -7.002 1.00 31.13 C ATOM 704 OG SER A 44 0.635 7.954 -7.556 1.00 53.44 O ATOM 0 H SER A 44 -0.053 7.629 -4.714 1.00 52.04 H new ATOM 0 HA SER A 44 -1.804 7.468 -6.959 1.00 42.43 H new ATOM 0 HB2 SER A 44 0.943 6.373 -6.276 1.00 31.13 H new ATOM 0 HB3 SER A 44 0.153 5.967 -7.786 1.00 31.13 H new ATOM 0 HG SER A 44 1.040 8.506 -6.854 1.00 53.44 H new ATOM 710 N ILE A 45 -1.242 4.699 -5.235 1.00 32.43 N ATOM 711 CA ILE A 45 -1.758 3.362 -4.969 1.00 42.10 C ATOM 712 C ILE A 45 -3.155 3.422 -4.363 1.00 2.01 C ATOM 713 O ILE A 45 -3.985 2.545 -4.603 1.00 54.32 O ATOM 714 CB ILE A 45 -0.831 2.580 -4.019 1.00 51.20 C ATOM 715 CG1 ILE A 45 0.530 2.344 -4.678 1.00 53.21 C ATOM 716 CG2 ILE A 45 -1.472 1.257 -3.625 1.00 43.12 C ATOM 717 CD1 ILE A 45 1.478 1.527 -3.830 1.00 0.34 C ATOM 0 H ILE A 45 -0.438 4.962 -4.666 1.00 32.43 H new ATOM 0 HA ILE A 45 -1.803 2.845 -5.927 1.00 42.10 H new ATOM 0 HB ILE A 45 -0.678 3.171 -3.116 1.00 51.20 H new ATOM 0 HG12 ILE A 45 0.380 1.838 -5.631 1.00 53.21 H new ATOM 0 HG13 ILE A 45 0.990 3.307 -4.898 1.00 53.21 H new ATOM 0 HG21 ILE A 45 -0.806 0.715 -2.954 1.00 43.12 H new ATOM 0 HG22 ILE A 45 -2.419 1.448 -3.120 1.00 43.12 H new ATOM 0 HG23 ILE A 45 -1.651 0.659 -4.519 1.00 43.12 H new ATOM 0 HD11 ILE A 45 2.422 1.399 -4.360 1.00 0.34 H new ATOM 0 HD12 ILE A 45 1.658 2.042 -2.886 1.00 0.34 H new ATOM 0 HD13 ILE A 45 1.038 0.550 -3.632 1.00 0.34 H new ATOM 729 N ASP A 46 -3.410 4.463 -3.578 1.00 64.23 N ATOM 730 CA ASP A 46 -4.708 4.641 -2.940 1.00 63.03 C ATOM 731 C ASP A 46 -5.679 5.359 -3.872 1.00 62.12 C ATOM 732 O ASP A 46 -5.418 6.479 -4.312 1.00 32.41 O ATOM 733 CB ASP A 46 -4.556 5.427 -1.636 1.00 72.44 C ATOM 734 CG ASP A 46 -5.605 5.052 -0.609 1.00 12.40 C ATOM 735 OD1 ASP A 46 -6.682 4.561 -1.010 1.00 42.12 O ATOM 736 OD2 ASP A 46 -5.349 5.247 0.598 1.00 53.43 O ATOM 0 H ASP A 46 -2.734 5.197 -3.368 1.00 64.23 H new ATOM 0 HA ASP A 46 -5.113 3.654 -2.715 1.00 63.03 H new ATOM 0 HB2 ASP A 46 -3.564 5.248 -1.220 1.00 72.44 H new ATOM 0 HB3 ASP A 46 -4.624 6.494 -1.848 1.00 72.44 H new ATOM 741 N ALA A 47 -6.798 4.708 -4.169 1.00 13.22 N ATOM 742 CA ALA A 47 -7.808 5.285 -5.048 1.00 12.31 C ATOM 743 C ALA A 47 -8.409 6.547 -4.439 1.00 45.13 C ATOM 744 O ALA A 47 -8.626 7.540 -5.133 1.00 42.11 O ATOM 745 CB ALA A 47 -8.900 4.265 -5.339 1.00 65.23 C ATOM 0 H ALA A 47 -7.029 3.780 -3.814 1.00 13.22 H new ATOM 0 HA ALA A 47 -7.324 5.560 -5.985 1.00 12.31 H new ATOM 0 HB1 ALA A 47 -9.647 4.710 -5.996 1.00 65.23 H new ATOM 0 HB2 ALA A 47 -8.463 3.392 -5.824 1.00 65.23 H new ATOM 0 HB3 ALA A 47 -9.373 3.962 -4.405 1.00 65.23 H new ATOM 751 N ASP A 48 -8.677 6.502 -3.138 1.00 31.35 N ATOM 752 CA ASP A 48 -9.253 7.642 -2.436 1.00 52.22 C ATOM 753 C ASP A 48 -8.226 8.286 -1.510 1.00 2.05 C ATOM 754 O ASP A 48 -8.402 9.418 -1.062 1.00 21.32 O ATOM 755 CB ASP A 48 -10.480 7.206 -1.633 1.00 45.44 C ATOM 756 CG ASP A 48 -10.160 6.110 -0.636 1.00 32.23 C ATOM 757 OD1 ASP A 48 -8.990 5.677 -0.585 1.00 4.14 O ATOM 758 OD2 ASP A 48 -11.080 5.685 0.093 1.00 13.14 O ATOM 0 H ASP A 48 -8.504 5.688 -2.549 1.00 31.35 H new ATOM 0 HA ASP A 48 -9.557 8.379 -3.179 1.00 52.22 H new ATOM 0 HB2 ASP A 48 -10.889 8.067 -1.104 1.00 45.44 H new ATOM 0 HB3 ASP A 48 -11.253 6.856 -2.317 1.00 45.44 H new ATOM 763 N GLY A 49 -7.152 7.554 -1.226 1.00 55.13 N ATOM 764 CA GLY A 49 -6.113 8.069 -0.354 1.00 61.40 C ATOM 765 C GLY A 49 -6.639 8.437 1.019 1.00 3.22 C ATOM 766 O GLY A 49 -6.154 9.379 1.644 1.00 51.54 O ATOM 0 H GLY A 49 -6.984 6.614 -1.584 1.00 55.13 H new ATOM 0 HA2 GLY A 49 -5.326 7.322 -0.250 1.00 61.40 H new ATOM 0 HA3 GLY A 49 -5.659 8.947 -0.813 1.00 61.40 H new ATOM 770 N ASN A 50 -7.634 7.692 1.490 1.00 22.02 N ATOM 771 CA ASN A 50 -8.228 7.946 2.797 1.00 4.00 C ATOM 772 C ASN A 50 -7.420 7.270 3.902 1.00 62.23 C ATOM 773 O ASN A 50 -7.788 6.202 4.389 1.00 42.24 O ATOM 774 CB ASN A 50 -9.674 7.448 2.830 1.00 23.12 C ATOM 775 CG ASN A 50 -9.780 5.964 2.538 1.00 12.33 C ATOM 776 OD1 ASN A 50 -8.862 5.361 1.984 1.00 25.33 O ATOM 777 ND2 ASN A 50 -10.907 5.368 2.911 1.00 73.50 N ATOM 0 H ASN A 50 -8.046 6.907 0.985 1.00 22.02 H new ATOM 0 HA ASN A 50 -8.218 9.022 2.970 1.00 4.00 H new ATOM 0 HB2 ASN A 50 -10.104 7.655 3.810 1.00 23.12 H new ATOM 0 HB3 ASN A 50 -10.263 8.002 2.100 1.00 23.12 H new ATOM 0 HD21 ASN A 50 -11.037 4.371 2.741 1.00 73.50 H new ATOM 0 HD22 ASN A 50 -11.642 5.908 3.368 1.00 73.50 H new ATOM 784 N GLY A 51 -6.317 7.903 4.292 1.00 12.22 N ATOM 785 CA GLY A 51 -5.476 7.349 5.337 1.00 32.34 C ATOM 786 C GLY A 51 -4.765 6.083 4.898 1.00 42.33 C ATOM 787 O GLY A 51 -3.571 5.920 5.141 1.00 25.43 O ATOM 0 H GLY A 51 -5.992 8.788 3.903 1.00 12.22 H new ATOM 0 HA2 GLY A 51 -4.737 8.092 5.637 1.00 32.34 H new ATOM 0 HA3 GLY A 51 -6.086 7.134 6.214 1.00 32.34 H new ATOM 791 N GLU A 52 -5.504 5.185 4.253 1.00 5.25 N ATOM 792 CA GLU A 52 -4.936 3.927 3.783 1.00 4.22 C ATOM 793 C GLU A 52 -5.685 3.417 2.556 1.00 75.42 C ATOM 794 O GLU A 52 -6.780 3.887 2.244 1.00 41.43 O ATOM 795 CB GLU A 52 -4.980 2.875 4.894 1.00 72.02 C ATOM 796 CG GLU A 52 -6.302 2.838 5.644 1.00 4.32 C ATOM 797 CD GLU A 52 -7.500 2.821 4.715 1.00 42.33 C ATOM 798 OE1 GLU A 52 -7.588 1.900 3.876 1.00 52.41 O ATOM 799 OE2 GLU A 52 -8.350 3.729 4.828 1.00 62.21 O ATOM 0 H GLU A 52 -6.495 5.305 4.045 1.00 5.25 H new ATOM 0 HA GLU A 52 -3.898 4.108 3.505 1.00 4.22 H new ATOM 0 HB2 GLU A 52 -4.790 1.893 4.461 1.00 72.02 H new ATOM 0 HB3 GLU A 52 -4.175 3.072 5.602 1.00 72.02 H new ATOM 0 HG2 GLU A 52 -6.329 1.954 6.282 1.00 4.32 H new ATOM 0 HG3 GLU A 52 -6.368 3.706 6.300 1.00 4.32 H new ATOM 806 N ILE A 53 -5.086 2.456 1.861 1.00 11.25 N ATOM 807 CA ILE A 53 -5.696 1.882 0.669 1.00 34.52 C ATOM 808 C ILE A 53 -6.470 0.611 1.003 1.00 71.21 C ATOM 809 O ILE A 53 -5.920 -0.329 1.576 1.00 32.10 O ATOM 810 CB ILE A 53 -4.640 1.559 -0.405 1.00 21.13 C ATOM 811 CG1 ILE A 53 -3.583 2.663 -0.459 1.00 24.12 C ATOM 812 CG2 ILE A 53 -5.301 1.383 -1.763 1.00 60.52 C ATOM 813 CD1 ILE A 53 -2.237 2.240 0.089 1.00 74.34 C ATOM 0 H ILE A 53 -4.178 2.059 2.103 1.00 11.25 H new ATOM 0 HA ILE A 53 -6.384 2.631 0.277 1.00 34.52 H new ATOM 0 HB ILE A 53 -4.148 0.623 -0.140 1.00 21.13 H new ATOM 0 HG12 ILE A 53 -3.460 2.986 -1.493 1.00 24.12 H new ATOM 0 HG13 ILE A 53 -3.941 3.525 0.104 1.00 24.12 H new ATOM 0 HG21 ILE A 53 -4.541 1.155 -2.511 1.00 60.52 H new ATOM 0 HG22 ILE A 53 -6.019 0.565 -1.715 1.00 60.52 H new ATOM 0 HG23 ILE A 53 -5.817 2.303 -2.038 1.00 60.52 H new ATOM 0 HD11 ILE A 53 -1.537 3.073 0.019 1.00 74.34 H new ATOM 0 HD12 ILE A 53 -2.346 1.944 1.133 1.00 74.34 H new ATOM 0 HD13 ILE A 53 -1.857 1.398 -0.489 1.00 74.34 H new ATOM 825 N ASP A 54 -7.747 0.591 0.639 1.00 14.34 N ATOM 826 CA ASP A 54 -8.597 -0.567 0.898 1.00 73.15 C ATOM 827 C ASP A 54 -8.306 -1.688 -0.095 1.00 43.03 C ATOM 828 O ASP A 54 -7.748 -1.451 -1.166 1.00 64.11 O ATOM 829 CB ASP A 54 -10.072 -0.171 0.819 1.00 52.24 C ATOM 830 CG ASP A 54 -10.337 1.197 1.419 1.00 10.10 C ATOM 831 OD1 ASP A 54 -9.620 1.576 2.369 1.00 11.01 O ATOM 832 OD2 ASP A 54 -11.262 1.886 0.940 1.00 40.25 O ATOM 0 H ASP A 54 -8.217 1.362 0.164 1.00 14.34 H new ATOM 0 HA ASP A 54 -8.378 -0.929 1.902 1.00 73.15 H new ATOM 0 HB2 ASP A 54 -10.391 -0.176 -0.223 1.00 52.24 H new ATOM 0 HB3 ASP A 54 -10.674 -0.916 1.340 1.00 52.24 H new ATOM 837 N GLN A 55 -8.685 -2.908 0.270 1.00 54.43 N ATOM 838 CA GLN A 55 -8.463 -4.065 -0.588 1.00 2.01 C ATOM 839 C GLN A 55 -9.070 -3.845 -1.969 1.00 65.24 C ATOM 840 O GLN A 55 -8.441 -4.128 -2.987 1.00 65.13 O ATOM 841 CB GLN A 55 -9.059 -5.321 0.050 1.00 33.41 C ATOM 842 CG GLN A 55 -10.520 -5.169 0.443 1.00 42.43 C ATOM 843 CD GLN A 55 -11.039 -6.356 1.232 1.00 62.45 C ATOM 844 OE1 GLN A 55 -10.270 -7.078 1.867 1.00 54.53 O ATOM 845 NE2 GLN A 55 -12.349 -6.564 1.194 1.00 55.34 N ATOM 0 H GLN A 55 -9.147 -3.121 1.154 1.00 54.43 H new ATOM 0 HA GLN A 55 -7.387 -4.199 -0.702 1.00 2.01 H new ATOM 0 HB2 GLN A 55 -8.964 -6.153 -0.648 1.00 33.41 H new ATOM 0 HB3 GLN A 55 -8.478 -5.579 0.935 1.00 33.41 H new ATOM 0 HG2 GLN A 55 -10.640 -4.263 1.036 1.00 42.43 H new ATOM 0 HG3 GLN A 55 -11.123 -5.044 -0.456 1.00 42.43 H new ATOM 0 HE21 GLN A 55 -12.949 -5.940 0.655 1.00 55.34 H new ATOM 0 HE22 GLN A 55 -12.756 -7.348 1.704 1.00 55.34 H new ATOM 854 N ASN A 56 -10.298 -3.336 -1.996 1.00 4.24 N ATOM 855 CA ASN A 56 -10.991 -3.077 -3.253 1.00 11.52 C ATOM 856 C ASN A 56 -10.190 -2.118 -4.128 1.00 13.30 C ATOM 857 O ASN A 56 -9.964 -2.382 -5.309 1.00 41.14 O ATOM 858 CB ASN A 56 -12.381 -2.499 -2.983 1.00 50.34 C ATOM 859 CG ASN A 56 -13.475 -3.260 -3.707 1.00 31.11 C ATOM 860 OD1 ASN A 56 -13.420 -4.484 -3.825 1.00 32.14 O ATOM 861 ND2 ASN A 56 -14.474 -2.537 -4.197 1.00 50.45 N ATOM 0 H ASN A 56 -10.833 -3.095 -1.162 1.00 4.24 H new ATOM 0 HA ASN A 56 -11.095 -4.023 -3.784 1.00 11.52 H new ATOM 0 HB2 ASN A 56 -12.577 -2.518 -1.911 1.00 50.34 H new ATOM 0 HB3 ASN A 56 -12.403 -1.454 -3.292 1.00 50.34 H new ATOM 0 HD21 ASN A 56 -15.238 -2.994 -4.695 1.00 50.45 H new ATOM 0 HD22 ASN A 56 -14.478 -1.524 -4.075 1.00 50.45 H new ATOM 868 N GLU A 57 -9.764 -1.004 -3.540 1.00 22.23 N ATOM 869 CA GLU A 57 -8.988 -0.006 -4.267 1.00 30.13 C ATOM 870 C GLU A 57 -7.701 -0.613 -4.819 1.00 11.15 C ATOM 871 O GLU A 57 -7.329 -0.369 -5.967 1.00 14.42 O ATOM 872 CB GLU A 57 -8.657 1.177 -3.355 1.00 63.51 C ATOM 873 CG GLU A 57 -9.876 1.794 -2.691 1.00 64.44 C ATOM 874 CD GLU A 57 -9.516 2.658 -1.498 1.00 1.13 C ATOM 875 OE1 GLU A 57 -8.342 2.622 -1.074 1.00 53.51 O ATOM 876 OE2 GLU A 57 -10.407 3.369 -0.990 1.00 15.22 O ATOM 0 H GLU A 57 -9.943 -0.770 -2.563 1.00 22.23 H new ATOM 0 HA GLU A 57 -9.590 0.347 -5.104 1.00 30.13 H new ATOM 0 HB2 GLU A 57 -7.962 0.846 -2.583 1.00 63.51 H new ATOM 0 HB3 GLU A 57 -8.145 1.942 -3.938 1.00 63.51 H new ATOM 0 HG2 GLU A 57 -10.417 2.396 -3.421 1.00 64.44 H new ATOM 0 HG3 GLU A 57 -10.551 1.001 -2.370 1.00 64.44 H new ATOM 883 N PHE A 58 -7.026 -1.405 -3.993 1.00 22.41 N ATOM 884 CA PHE A 58 -5.780 -2.047 -4.397 1.00 52.42 C ATOM 885 C PHE A 58 -6.017 -3.019 -5.548 1.00 74.11 C ATOM 886 O PHE A 58 -5.228 -3.087 -6.490 1.00 70.21 O ATOM 887 CB PHE A 58 -5.154 -2.785 -3.212 1.00 50.24 C ATOM 888 CG PHE A 58 -3.673 -2.994 -3.350 1.00 63.43 C ATOM 889 CD1 PHE A 58 -2.781 -2.012 -2.948 1.00 15.34 C ATOM 890 CD2 PHE A 58 -3.173 -4.171 -3.883 1.00 0.12 C ATOM 891 CE1 PHE A 58 -1.418 -2.201 -3.074 1.00 1.12 C ATOM 892 CE2 PHE A 58 -1.811 -4.366 -4.010 1.00 43.01 C ATOM 893 CZ PHE A 58 -0.932 -3.379 -3.606 1.00 21.41 C ATOM 0 H PHE A 58 -7.320 -1.618 -3.040 1.00 22.41 H new ATOM 0 HA PHE A 58 -5.094 -1.271 -4.736 1.00 52.42 H new ATOM 0 HB2 PHE A 58 -5.350 -2.222 -2.299 1.00 50.24 H new ATOM 0 HB3 PHE A 58 -5.641 -3.754 -3.100 1.00 50.24 H new ATOM 0 HD1 PHE A 58 -3.156 -1.089 -2.532 1.00 15.34 H new ATOM 0 HD2 PHE A 58 -3.855 -4.945 -4.203 1.00 0.12 H new ATOM 0 HE1 PHE A 58 -0.733 -1.428 -2.757 1.00 1.12 H new ATOM 0 HE2 PHE A 58 -1.434 -5.289 -4.425 1.00 43.01 H new ATOM 0 HZ PHE A 58 0.133 -3.529 -3.706 1.00 21.41 H new ATOM 903 N ALA A 59 -7.110 -3.771 -5.465 1.00 41.22 N ATOM 904 CA ALA A 59 -7.453 -4.739 -6.500 1.00 44.43 C ATOM 905 C ALA A 59 -7.653 -4.053 -7.847 1.00 70.30 C ATOM 906 O ALA A 59 -7.061 -4.451 -8.852 1.00 55.11 O ATOM 907 CB ALA A 59 -8.704 -5.510 -6.107 1.00 20.00 C ATOM 0 H ALA A 59 -7.773 -3.728 -4.691 1.00 41.22 H new ATOM 0 HA ALA A 59 -6.624 -5.440 -6.598 1.00 44.43 H new ATOM 0 HB1 ALA A 59 -8.949 -6.229 -6.889 1.00 20.00 H new ATOM 0 HB2 ALA A 59 -8.526 -6.038 -5.170 1.00 20.00 H new ATOM 0 HB3 ALA A 59 -9.535 -4.816 -5.980 1.00 20.00 H new ATOM 913 N LYS A 60 -8.489 -3.022 -7.863 1.00 73.13 N ATOM 914 CA LYS A 60 -8.768 -2.280 -9.087 1.00 60.43 C ATOM 915 C LYS A 60 -7.521 -1.550 -9.577 1.00 54.52 C ATOM 916 O LYS A 60 -7.384 -1.265 -10.767 1.00 43.20 O ATOM 917 CB LYS A 60 -9.900 -1.277 -8.854 1.00 55.11 C ATOM 918 CG LYS A 60 -11.190 -1.917 -8.372 1.00 74.35 C ATOM 919 CD LYS A 60 -12.036 -2.411 -9.534 1.00 65.45 C ATOM 920 CE LYS A 60 -12.831 -1.278 -10.165 1.00 54.42 C ATOM 921 NZ LYS A 60 -12.550 -1.146 -11.621 1.00 11.03 N ATOM 0 H LYS A 60 -8.986 -2.680 -7.041 1.00 73.13 H new ATOM 0 HA LYS A 60 -9.075 -2.993 -9.852 1.00 60.43 H new ATOM 0 HB2 LYS A 60 -9.575 -0.539 -8.121 1.00 55.11 H new ATOM 0 HB3 LYS A 60 -10.095 -0.740 -9.782 1.00 55.11 H new ATOM 0 HG2 LYS A 60 -10.958 -2.751 -7.709 1.00 74.35 H new ATOM 0 HG3 LYS A 60 -11.759 -1.194 -7.788 1.00 74.35 H new ATOM 0 HD2 LYS A 60 -11.392 -2.868 -10.286 1.00 65.45 H new ATOM 0 HD3 LYS A 60 -12.719 -3.186 -9.185 1.00 65.45 H new ATOM 0 HE2 LYS A 60 -13.896 -1.455 -10.015 1.00 54.42 H new ATOM 0 HE3 LYS A 60 -12.590 -0.341 -9.662 1.00 54.42 H new ATOM 0 HZ1 LYS A 60 -13.111 -0.363 -12.013 1.00 11.03 H new ATOM 0 HZ2 LYS A 60 -11.538 -0.952 -11.763 1.00 11.03 H new ATOM 0 HZ3 LYS A 60 -12.804 -2.031 -12.105 1.00 11.03 H new ATOM 935 N PHE A 61 -6.614 -1.253 -8.653 1.00 51.12 N ATOM 936 CA PHE A 61 -5.378 -0.557 -8.991 1.00 40.12 C ATOM 937 C PHE A 61 -4.348 -1.526 -9.566 1.00 21.20 C ATOM 938 O PHE A 61 -3.557 -1.163 -10.437 1.00 34.23 O ATOM 939 CB PHE A 61 -4.804 0.139 -7.754 1.00 14.24 C ATOM 940 CG PHE A 61 -3.337 0.441 -7.862 1.00 33.20 C ATOM 941 CD1 PHE A 61 -2.845 1.178 -8.928 1.00 42.21 C ATOM 942 CD2 PHE A 61 -2.451 -0.013 -6.899 1.00 61.51 C ATOM 943 CE1 PHE A 61 -1.496 1.458 -9.030 1.00 4.53 C ATOM 944 CE2 PHE A 61 -1.100 0.264 -6.996 1.00 63.14 C ATOM 945 CZ PHE A 61 -0.621 1.000 -8.064 1.00 12.41 C ATOM 0 H PHE A 61 -6.711 -1.483 -7.664 1.00 51.12 H new ATOM 0 HA PHE A 61 -5.608 0.193 -9.748 1.00 40.12 H new ATOM 0 HB2 PHE A 61 -5.347 1.069 -7.586 1.00 14.24 H new ATOM 0 HB3 PHE A 61 -4.974 -0.491 -6.881 1.00 14.24 H new ATOM 0 HD1 PHE A 61 -3.524 1.537 -9.687 1.00 42.21 H new ATOM 0 HD2 PHE A 61 -2.819 -0.590 -6.063 1.00 61.51 H new ATOM 0 HE1 PHE A 61 -1.126 2.035 -9.865 1.00 4.53 H new ATOM 0 HE2 PHE A 61 -0.419 -0.094 -6.238 1.00 63.14 H new ATOM 0 HZ PHE A 61 0.434 1.216 -8.143 1.00 12.41 H new ATOM 955 N TYR A 62 -4.365 -2.758 -9.072 1.00 3.33 N ATOM 956 CA TYR A 62 -3.431 -3.779 -9.533 1.00 31.10 C ATOM 957 C TYR A 62 -3.643 -4.081 -11.014 1.00 1.40 C ATOM 958 O TYR A 62 -4.713 -4.531 -11.420 1.00 21.43 O ATOM 959 CB TYR A 62 -3.595 -5.059 -8.712 1.00 54.44 C ATOM 960 CG TYR A 62 -2.576 -6.126 -9.044 1.00 74.10 C ATOM 961 CD1 TYR A 62 -1.236 -5.961 -8.717 1.00 52.04 C ATOM 962 CD2 TYR A 62 -2.955 -7.301 -9.683 1.00 52.22 C ATOM 963 CE1 TYR A 62 -0.302 -6.933 -9.019 1.00 52.13 C ATOM 964 CE2 TYR A 62 -2.028 -8.279 -9.988 1.00 52.25 C ATOM 965 CZ TYR A 62 -0.704 -8.090 -9.654 1.00 4.01 C ATOM 966 OH TYR A 62 0.223 -9.062 -9.956 1.00 43.43 O ATOM 0 H TYR A 62 -5.015 -3.075 -8.352 1.00 3.33 H new ATOM 0 HA TYR A 62 -2.419 -3.397 -9.399 1.00 31.10 H new ATOM 0 HB2 TYR A 62 -3.520 -4.813 -7.653 1.00 54.44 H new ATOM 0 HB3 TYR A 62 -4.595 -5.460 -8.876 1.00 54.44 H new ATOM 0 HD1 TYR A 62 -0.919 -5.057 -8.218 1.00 52.04 H new ATOM 0 HD2 TYR A 62 -3.992 -7.452 -9.945 1.00 52.22 H new ATOM 0 HE1 TYR A 62 0.736 -6.788 -8.760 1.00 52.13 H new ATOM 0 HE2 TYR A 62 -2.339 -9.186 -10.485 1.00 52.25 H new ATOM 0 HH TYR A 62 -0.223 -9.813 -10.401 1.00 43.43 H new ATOM 976 N GLY A 63 -2.612 -3.830 -11.816 1.00 50.14 N ATOM 977 CA GLY A 63 -2.704 -4.081 -13.242 1.00 5.32 C ATOM 978 C GLY A 63 -3.340 -2.928 -13.993 1.00 34.43 C ATOM 979 O GLY A 63 -3.553 -3.010 -15.203 1.00 23.41 O ATOM 0 H GLY A 63 -1.715 -3.458 -11.503 1.00 50.14 H new ATOM 0 HA2 GLY A 63 -1.706 -4.264 -13.641 1.00 5.32 H new ATOM 0 HA3 GLY A 63 -3.286 -4.987 -13.412 1.00 5.32 H new