USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -3.24 K(o=-3.2,f=-8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.0935 (180deg=-0.375) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.04! C(o=-6!,f=-11!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.022) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.65 K(o=-3.7,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.956 K(o=-0.96,f=-3.4!) USER MOD Single : A 56 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.79) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.011) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -4.198 -10.036 -5.982 1.00 44.11 N ATOM 29 CA GLU A 3 -4.582 -9.130 -4.906 1.00 72.13 C ATOM 30 C GLU A 3 -4.370 -9.784 -3.544 1.00 20.23 C ATOM 31 O GLU A 3 -4.219 -9.100 -2.532 1.00 55.25 O ATOM 32 CB GLU A 3 -6.045 -8.710 -5.062 1.00 34.41 C ATOM 33 CG GLU A 3 -7.017 -9.878 -5.053 1.00 70.32 C ATOM 34 CD GLU A 3 -7.262 -10.443 -6.439 1.00 53.33 C ATOM 35 OE1 GLU A 3 -7.311 -9.650 -7.403 1.00 12.42 O ATOM 36 OE2 GLU A 3 -7.405 -11.677 -6.560 1.00 53.24 O ATOM 0 HA GLU A 3 -3.949 -8.244 -4.966 1.00 72.13 H new ATOM 0 HB2 GLU A 3 -6.306 -8.025 -4.255 1.00 34.41 H new ATOM 0 HB3 GLU A 3 -6.159 -8.160 -5.996 1.00 34.41 H new ATOM 0 HG2 GLU A 3 -6.628 -10.665 -4.407 1.00 70.32 H new ATOM 0 HG3 GLU A 3 -7.965 -9.554 -4.624 1.00 70.32 H new ATOM 43 N ALA A 4 -4.362 -11.113 -3.526 1.00 43.11 N ATOM 44 CA ALA A 4 -4.168 -11.860 -2.290 1.00 12.30 C ATOM 45 C ALA A 4 -2.887 -11.428 -1.583 1.00 42.23 C ATOM 46 O ALA A 4 -2.750 -11.592 -0.370 1.00 20.11 O ATOM 47 CB ALA A 4 -4.139 -13.354 -2.575 1.00 11.14 C ATOM 0 H ALA A 4 -4.488 -11.695 -4.355 1.00 43.11 H new ATOM 0 HA ALA A 4 -5.007 -11.645 -1.628 1.00 12.30 H new ATOM 0 HB1 ALA A 4 -3.993 -13.900 -1.643 1.00 11.14 H new ATOM 0 HB2 ALA A 4 -5.083 -13.656 -3.029 1.00 11.14 H new ATOM 0 HB3 ALA A 4 -3.320 -13.578 -3.258 1.00 11.14 H new ATOM 53 N LEU A 5 -1.952 -10.876 -2.348 1.00 65.21 N ATOM 54 CA LEU A 5 -0.681 -10.422 -1.796 1.00 41.51 C ATOM 55 C LEU A 5 -0.892 -9.267 -0.822 1.00 72.03 C ATOM 56 O LEU A 5 -0.203 -9.162 0.193 1.00 63.41 O ATOM 57 CB LEU A 5 0.262 -9.989 -2.920 1.00 70.44 C ATOM 58 CG LEU A 5 0.194 -10.814 -4.207 1.00 53.51 C ATOM 59 CD1 LEU A 5 1.279 -10.376 -5.179 1.00 21.42 C ATOM 60 CD2 LEU A 5 0.320 -12.298 -3.897 1.00 0.34 C ATOM 0 H LEU A 5 -2.050 -10.732 -3.353 1.00 65.21 H new ATOM 0 HA LEU A 5 -0.232 -11.254 -1.254 1.00 41.51 H new ATOM 0 HB2 LEU A 5 0.048 -8.949 -3.167 1.00 70.44 H new ATOM 0 HB3 LEU A 5 1.284 -10.023 -2.543 1.00 70.44 H new ATOM 0 HG LEU A 5 -0.775 -10.643 -4.675 1.00 53.51 H new ATOM 0 HD11 LEU A 5 1.216 -10.973 -6.088 1.00 21.42 H new ATOM 0 HD12 LEU A 5 1.143 -9.323 -5.426 1.00 21.42 H new ATOM 0 HD13 LEU A 5 2.257 -10.517 -4.720 1.00 21.42 H new ATOM 0 HD21 LEU A 5 0.269 -12.869 -4.824 1.00 0.34 H new ATOM 0 HD22 LEU A 5 1.274 -12.487 -3.406 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -0.494 -12.603 -3.239 1.00 0.34 H new ATOM 72 N PHE A 6 -1.852 -8.403 -1.138 1.00 15.34 N ATOM 73 CA PHE A 6 -2.156 -7.255 -0.289 1.00 3.21 C ATOM 74 C PHE A 6 -2.707 -7.707 1.059 1.00 73.24 C ATOM 75 O PHE A 6 -2.259 -7.250 2.111 1.00 72.02 O ATOM 76 CB PHE A 6 -3.161 -6.334 -0.983 1.00 32.54 C ATOM 77 CG PHE A 6 -3.871 -5.404 -0.040 1.00 51.32 C ATOM 78 CD1 PHE A 6 -4.967 -5.836 0.688 1.00 23.34 C ATOM 79 CD2 PHE A 6 -3.441 -4.096 0.116 1.00 22.43 C ATOM 80 CE1 PHE A 6 -5.621 -4.984 1.556 1.00 55.14 C ATOM 81 CE2 PHE A 6 -4.090 -3.238 0.983 1.00 52.13 C ATOM 82 CZ PHE A 6 -5.183 -3.682 1.703 1.00 14.14 C ATOM 0 H PHE A 6 -2.432 -8.475 -1.974 1.00 15.34 H new ATOM 0 HA PHE A 6 -1.230 -6.706 -0.116 1.00 3.21 H new ATOM 0 HB2 PHE A 6 -2.641 -5.745 -1.739 1.00 32.54 H new ATOM 0 HB3 PHE A 6 -3.899 -6.943 -1.505 1.00 32.54 H new ATOM 0 HD1 PHE A 6 -5.315 -6.852 0.575 1.00 23.34 H new ATOM 0 HD2 PHE A 6 -2.589 -3.743 -0.446 1.00 22.43 H new ATOM 0 HE1 PHE A 6 -6.473 -5.335 2.119 1.00 55.14 H new ATOM 0 HE2 PHE A 6 -3.744 -2.222 1.098 1.00 52.13 H new ATOM 0 HZ PHE A 6 -5.694 -3.012 2.379 1.00 14.14 H new ATOM 92 N LYS A 7 -3.684 -8.607 1.021 1.00 4.11 N ATOM 93 CA LYS A 7 -4.297 -9.123 2.239 1.00 72.34 C ATOM 94 C LYS A 7 -3.358 -10.087 2.956 1.00 31.51 C ATOM 95 O LYS A 7 -3.431 -10.246 4.174 1.00 64.31 O ATOM 96 CB LYS A 7 -5.615 -9.829 1.910 1.00 34.21 C ATOM 97 CG LYS A 7 -6.689 -8.895 1.379 1.00 20.24 C ATOM 98 CD LYS A 7 -8.025 -9.605 1.237 1.00 21.30 C ATOM 99 CE LYS A 7 -8.852 -9.016 0.105 1.00 14.21 C ATOM 100 NZ LYS A 7 -8.969 -9.957 -1.044 1.00 51.13 N ATOM 0 H LYS A 7 -4.068 -8.994 0.159 1.00 4.11 H new ATOM 0 HA LYS A 7 -4.497 -8.280 2.900 1.00 72.34 H new ATOM 0 HB2 LYS A 7 -5.426 -10.608 1.172 1.00 34.21 H new ATOM 0 HB3 LYS A 7 -5.987 -10.323 2.808 1.00 34.21 H new ATOM 0 HG2 LYS A 7 -6.798 -8.044 2.052 1.00 20.24 H new ATOM 0 HG3 LYS A 7 -6.382 -8.499 0.411 1.00 20.24 H new ATOM 0 HD2 LYS A 7 -7.856 -10.666 1.052 1.00 21.30 H new ATOM 0 HD3 LYS A 7 -8.580 -9.529 2.172 1.00 21.30 H new ATOM 0 HE2 LYS A 7 -9.847 -8.767 0.474 1.00 14.21 H new ATOM 0 HE3 LYS A 7 -8.395 -8.086 -0.232 1.00 14.21 H new ATOM 0 HZ1 LYS A 7 -9.540 -9.519 -1.795 1.00 51.13 H new ATOM 0 HZ2 LYS A 7 -8.021 -10.175 -1.412 1.00 51.13 H new ATOM 0 HZ3 LYS A 7 -9.428 -10.835 -0.728 1.00 51.13 H new ATOM 114 N GLU A 8 -2.475 -10.725 2.193 1.00 73.24 N ATOM 115 CA GLU A 8 -1.521 -11.672 2.758 1.00 53.02 C ATOM 116 C GLU A 8 -0.501 -10.956 3.639 1.00 55.31 C ATOM 117 O GLU A 8 -0.236 -11.376 4.766 1.00 52.51 O ATOM 118 CB GLU A 8 -0.803 -12.432 1.643 1.00 65.05 C ATOM 119 CG GLU A 8 0.241 -13.414 2.149 1.00 71.23 C ATOM 120 CD GLU A 8 -0.167 -14.859 1.938 1.00 34.21 C ATOM 121 OE1 GLU A 8 -0.068 -15.342 0.791 1.00 2.53 O ATOM 122 OE2 GLU A 8 -0.585 -15.507 2.920 1.00 71.22 O ATOM 0 H GLU A 8 -2.401 -10.603 1.183 1.00 73.24 H new ATOM 0 HA GLU A 8 -2.073 -12.381 3.374 1.00 53.02 H new ATOM 0 HB2 GLU A 8 -1.541 -12.973 1.050 1.00 65.05 H new ATOM 0 HB3 GLU A 8 -0.323 -11.715 0.977 1.00 65.05 H new ATOM 0 HG2 GLU A 8 1.186 -13.229 1.638 1.00 71.23 H new ATOM 0 HG3 GLU A 8 0.413 -13.240 3.211 1.00 71.23 H new ATOM 129 N ILE A 9 0.067 -9.874 3.116 1.00 12.12 N ATOM 130 CA ILE A 9 1.057 -9.100 3.855 1.00 23.33 C ATOM 131 C ILE A 9 0.421 -8.382 5.041 1.00 43.15 C ATOM 132 O ILE A 9 1.098 -8.048 6.013 1.00 21.53 O ATOM 133 CB ILE A 9 1.750 -8.063 2.951 1.00 72.11 C ATOM 134 CG1 ILE A 9 2.485 -8.762 1.805 1.00 33.45 C ATOM 135 CG2 ILE A 9 2.713 -7.211 3.764 1.00 54.15 C ATOM 136 CD1 ILE A 9 3.641 -9.622 2.266 1.00 51.23 C ATOM 0 H ILE A 9 -0.141 -9.514 2.185 1.00 12.12 H new ATOM 0 HA ILE A 9 1.802 -9.807 4.220 1.00 23.33 H new ATOM 0 HB ILE A 9 0.989 -7.410 2.524 1.00 72.11 H new ATOM 0 HG12 ILE A 9 1.778 -9.382 1.255 1.00 33.45 H new ATOM 0 HG13 ILE A 9 2.857 -8.009 1.110 1.00 33.45 H new ATOM 0 HG21 ILE A 9 3.195 -6.483 3.111 1.00 54.15 H new ATOM 0 HG22 ILE A 9 2.164 -6.688 4.547 1.00 54.15 H new ATOM 0 HG23 ILE A 9 3.471 -7.850 4.217 1.00 54.15 H new ATOM 0 HD11 ILE A 9 4.116 -10.087 1.402 1.00 51.23 H new ATOM 0 HD12 ILE A 9 4.369 -9.003 2.791 1.00 51.23 H new ATOM 0 HD13 ILE A 9 3.273 -10.397 2.938 1.00 51.23 H new ATOM 148 N ASP A 10 -0.883 -8.148 4.952 1.00 70.43 N ATOM 149 CA ASP A 10 -1.613 -7.471 6.018 1.00 1.32 C ATOM 150 C ASP A 10 -1.908 -8.429 7.167 1.00 12.25 C ATOM 151 O ASP A 10 -3.019 -8.945 7.291 1.00 0.21 O ATOM 152 CB ASP A 10 -2.919 -6.884 5.479 1.00 11.34 C ATOM 153 CG ASP A 10 -2.836 -5.385 5.268 1.00 1.12 C ATOM 154 OD1 ASP A 10 -2.132 -4.714 6.052 1.00 44.43 O ATOM 155 OD2 ASP A 10 -3.476 -4.883 4.321 1.00 65.33 O ATOM 0 H ASP A 10 -1.457 -8.417 4.153 1.00 70.43 H new ATOM 0 HA ASP A 10 -0.988 -6.661 6.395 1.00 1.32 H new ATOM 0 HB2 ASP A 10 -3.169 -7.368 4.535 1.00 11.34 H new ATOM 0 HB3 ASP A 10 -3.728 -7.106 6.175 1.00 11.34 H new ATOM 160 N VAL A 11 -0.904 -8.665 8.007 1.00 14.42 N ATOM 161 CA VAL A 11 -1.055 -9.561 9.148 1.00 42.25 C ATOM 162 C VAL A 11 -2.130 -9.058 10.104 1.00 41.44 C ATOM 163 O VAL A 11 -2.632 -9.807 10.940 1.00 3.00 O ATOM 164 CB VAL A 11 0.269 -9.717 9.919 1.00 44.35 C ATOM 165 CG1 VAL A 11 0.140 -10.787 10.992 1.00 51.43 C ATOM 166 CG2 VAL A 11 1.407 -10.045 8.962 1.00 72.30 C ATOM 0 H VAL A 11 0.023 -8.248 7.918 1.00 14.42 H new ATOM 0 HA VAL A 11 -1.352 -10.531 8.750 1.00 42.25 H new ATOM 0 HB VAL A 11 0.497 -8.771 10.409 1.00 44.35 H new ATOM 0 HG11 VAL A 11 1.085 -10.883 11.526 1.00 51.43 H new ATOM 0 HG12 VAL A 11 -0.646 -10.506 11.693 1.00 51.43 H new ATOM 0 HG13 VAL A 11 -0.112 -11.740 10.527 1.00 51.43 H new ATOM 0 HG21 VAL A 11 2.335 -10.152 9.523 1.00 72.30 H new ATOM 0 HG22 VAL A 11 1.188 -10.978 8.442 1.00 72.30 H new ATOM 0 HG23 VAL A 11 1.514 -9.241 8.234 1.00 72.30 H new ATOM 176 N ASN A 12 -2.480 -7.781 9.973 1.00 4.25 N ATOM 177 CA ASN A 12 -3.496 -7.177 10.826 1.00 15.13 C ATOM 178 C ASN A 12 -4.897 -7.483 10.304 1.00 1.51 C ATOM 179 O ASN A 12 -5.896 -7.109 10.919 1.00 2.42 O ATOM 180 CB ASN A 12 -3.289 -5.663 10.908 1.00 63.11 C ATOM 181 CG ASN A 12 -2.975 -5.049 9.557 1.00 62.44 C ATOM 182 OD1 ASN A 12 -3.431 -5.534 8.522 1.00 63.15 O ATOM 183 ND2 ASN A 12 -2.193 -3.976 9.562 1.00 42.42 N ATOM 0 H ASN A 12 -2.075 -7.146 9.285 1.00 4.25 H new ATOM 0 HA ASN A 12 -3.398 -7.605 11.824 1.00 15.13 H new ATOM 0 HB2 ASN A 12 -4.186 -5.198 11.316 1.00 63.11 H new ATOM 0 HB3 ASN A 12 -2.475 -5.447 11.600 1.00 63.11 H new ATOM 0 HD21 ASN A 12 -1.948 -3.520 8.683 1.00 42.42 H new ATOM 0 HD22 ASN A 12 -1.837 -3.608 10.444 1.00 42.42 H new ATOM 190 N GLY A 13 -4.962 -8.166 9.166 1.00 42.43 N ATOM 191 CA GLY A 13 -6.244 -8.510 8.579 1.00 62.21 C ATOM 192 C GLY A 13 -7.225 -7.356 8.610 1.00 53.00 C ATOM 193 O GLY A 13 -8.418 -7.551 8.847 1.00 42.51 O ATOM 0 H GLY A 13 -4.150 -8.488 8.640 1.00 42.43 H new ATOM 0 HA2 GLY A 13 -6.094 -8.827 7.547 1.00 62.21 H new ATOM 0 HA3 GLY A 13 -6.669 -9.359 9.115 1.00 62.21 H new ATOM 197 N ASP A 14 -6.724 -6.149 8.371 1.00 10.52 N ATOM 198 CA ASP A 14 -7.564 -4.957 8.373 1.00 3.51 C ATOM 199 C ASP A 14 -8.047 -4.630 6.963 1.00 3.25 C ATOM 200 O ASP A 14 -9.006 -3.883 6.782 1.00 73.30 O ATOM 201 CB ASP A 14 -6.797 -3.767 8.951 1.00 13.35 C ATOM 202 CG ASP A 14 -5.438 -3.584 8.305 1.00 43.13 C ATOM 203 OD1 ASP A 14 -5.212 -4.169 7.226 1.00 42.31 O ATOM 204 OD2 ASP A 14 -4.600 -2.857 8.879 1.00 72.10 O ATOM 0 H ASP A 14 -5.739 -5.970 8.173 1.00 10.52 H new ATOM 0 HA ASP A 14 -8.434 -5.157 8.999 1.00 3.51 H new ATOM 0 HB2 ASP A 14 -7.385 -2.859 8.816 1.00 13.35 H new ATOM 0 HB3 ASP A 14 -6.670 -3.908 10.024 1.00 13.35 H new ATOM 209 N GLY A 15 -7.372 -5.196 5.967 1.00 62.21 N ATOM 210 CA GLY A 15 -7.746 -4.952 4.586 1.00 54.24 C ATOM 211 C GLY A 15 -7.445 -3.532 4.146 1.00 24.22 C ATOM 212 O GLY A 15 -7.830 -3.120 3.052 1.00 72.14 O ATOM 0 H GLY A 15 -6.574 -5.819 6.092 1.00 62.21 H new ATOM 0 HA2 GLY A 15 -7.214 -5.650 3.940 1.00 54.24 H new ATOM 0 HA3 GLY A 15 -8.810 -5.150 4.461 1.00 54.24 H new ATOM 216 N ALA A 16 -6.756 -2.784 5.000 1.00 31.10 N ATOM 217 CA ALA A 16 -6.403 -1.403 4.693 1.00 50.33 C ATOM 218 C ALA A 16 -4.961 -1.104 5.088 1.00 24.01 C ATOM 219 O ALA A 16 -4.531 -1.425 6.195 1.00 31.04 O ATOM 220 CB ALA A 16 -7.355 -0.447 5.397 1.00 10.22 C ATOM 0 H ALA A 16 -6.431 -3.110 5.910 1.00 31.10 H new ATOM 0 HA ALA A 16 -6.493 -1.261 3.616 1.00 50.33 H new ATOM 0 HB1 ALA A 16 -7.080 0.581 5.159 1.00 10.22 H new ATOM 0 HB2 ALA A 16 -8.375 -0.637 5.062 1.00 10.22 H new ATOM 0 HB3 ALA A 16 -7.293 -0.599 6.475 1.00 10.22 H new ATOM 226 N VAL A 17 -4.218 -0.488 4.175 1.00 50.35 N ATOM 227 CA VAL A 17 -2.823 -0.146 4.427 1.00 53.10 C ATOM 228 C VAL A 17 -2.579 1.346 4.226 1.00 3.43 C ATOM 229 O VAL A 17 -2.794 1.879 3.138 1.00 50.53 O ATOM 230 CB VAL A 17 -1.875 -0.939 3.509 1.00 20.03 C ATOM 231 CG1 VAL A 17 -2.044 -2.435 3.731 1.00 55.21 C ATOM 232 CG2 VAL A 17 -2.118 -0.577 2.052 1.00 54.45 C ATOM 0 H VAL A 17 -4.559 -0.215 3.253 1.00 50.35 H new ATOM 0 HA VAL A 17 -2.615 -0.409 5.464 1.00 53.10 H new ATOM 0 HB VAL A 17 -0.848 -0.673 3.759 1.00 20.03 H new ATOM 0 HG11 VAL A 17 -1.366 -2.979 3.074 1.00 55.21 H new ATOM 0 HG12 VAL A 17 -1.815 -2.677 4.769 1.00 55.21 H new ATOM 0 HG13 VAL A 17 -3.072 -2.722 3.510 1.00 55.21 H new ATOM 0 HG21 VAL A 17 -1.439 -1.147 1.417 1.00 54.45 H new ATOM 0 HG22 VAL A 17 -3.148 -0.813 1.785 1.00 54.45 H new ATOM 0 HG23 VAL A 17 -1.941 0.489 1.907 1.00 54.45 H new ATOM 242 N SER A 18 -2.127 2.014 5.283 1.00 2.35 N ATOM 243 CA SER A 18 -1.855 3.445 5.223 1.00 14.13 C ATOM 244 C SER A 18 -0.452 3.710 4.687 1.00 12.42 C ATOM 245 O SER A 18 0.302 2.779 4.402 1.00 11.32 O ATOM 246 CB SER A 18 -2.011 4.074 6.610 1.00 64.14 C ATOM 247 OG SER A 18 -2.035 3.080 7.620 1.00 41.44 O ATOM 0 H SER A 18 -1.942 1.587 6.191 1.00 2.35 H new ATOM 0 HA SER A 18 -2.576 3.898 4.543 1.00 14.13 H new ATOM 0 HB2 SER A 18 -1.188 4.765 6.794 1.00 64.14 H new ATOM 0 HB3 SER A 18 -2.931 4.657 6.647 1.00 64.14 H new ATOM 0 HG SER A 18 -2.134 3.507 8.497 1.00 41.44 H new ATOM 253 N TYR A 19 -0.108 4.986 4.553 1.00 61.35 N ATOM 254 CA TYR A 19 1.203 5.375 4.048 1.00 0.23 C ATOM 255 C TYR A 19 2.310 4.582 4.738 1.00 72.53 C ATOM 256 O TYR A 19 3.214 4.062 4.085 1.00 34.11 O ATOM 257 CB TYR A 19 1.429 6.874 4.256 1.00 31.15 C ATOM 258 CG TYR A 19 1.303 7.311 5.699 1.00 63.01 C ATOM 259 CD1 TYR A 19 0.057 7.555 6.265 1.00 43.12 C ATOM 260 CD2 TYR A 19 2.428 7.478 6.495 1.00 3.33 C ATOM 261 CE1 TYR A 19 -0.063 7.955 7.581 1.00 1.05 C ATOM 262 CE2 TYR A 19 2.318 7.876 7.813 1.00 32.24 C ATOM 263 CZ TYR A 19 1.071 8.114 8.351 1.00 74.53 C ATOM 264 OH TYR A 19 0.955 8.511 9.665 1.00 63.14 O ATOM 0 H TYR A 19 -0.719 5.769 4.787 1.00 61.35 H new ATOM 0 HA TYR A 19 1.233 5.154 2.981 1.00 0.23 H new ATOM 0 HB2 TYR A 19 2.422 7.137 3.891 1.00 31.15 H new ATOM 0 HB3 TYR A 19 0.710 7.428 3.653 1.00 31.15 H new ATOM 0 HD1 TYR A 19 -0.832 7.430 5.665 1.00 43.12 H new ATOM 0 HD2 TYR A 19 3.406 7.293 6.076 1.00 3.33 H new ATOM 0 HE1 TYR A 19 -1.038 8.142 8.005 1.00 1.05 H new ATOM 0 HE2 TYR A 19 3.204 8.000 8.419 1.00 32.24 H new ATOM 0 HH TYR A 19 1.846 8.575 10.067 1.00 63.14 H new ATOM 274 N GLU A 20 2.228 4.495 6.062 1.00 51.11 N ATOM 275 CA GLU A 20 3.222 3.766 6.841 1.00 12.14 C ATOM 276 C GLU A 20 3.230 2.287 6.465 1.00 35.33 C ATOM 277 O GLU A 20 4.290 1.678 6.322 1.00 74.23 O ATOM 278 CB GLU A 20 2.945 3.922 8.337 1.00 75.31 C ATOM 279 CG GLU A 20 4.029 4.683 9.082 1.00 12.32 C ATOM 280 CD GLU A 20 4.454 3.991 10.362 1.00 0.24 C ATOM 281 OE1 GLU A 20 5.066 2.905 10.273 1.00 64.33 O ATOM 282 OE2 GLU A 20 4.176 4.534 11.452 1.00 4.23 O ATOM 0 H GLU A 20 1.485 4.920 6.617 1.00 51.11 H new ATOM 0 HA GLU A 20 4.202 4.186 6.615 1.00 12.14 H new ATOM 0 HB2 GLU A 20 1.994 4.438 8.470 1.00 75.31 H new ATOM 0 HB3 GLU A 20 2.836 2.933 8.782 1.00 75.31 H new ATOM 0 HG2 GLU A 20 4.896 4.801 8.432 1.00 12.32 H new ATOM 0 HG3 GLU A 20 3.668 5.684 9.317 1.00 12.32 H new ATOM 289 N GLU A 21 2.039 1.716 6.309 1.00 35.04 N ATOM 290 CA GLU A 21 1.909 0.308 5.953 1.00 53.24 C ATOM 291 C GLU A 21 2.597 0.018 4.622 1.00 73.43 C ATOM 292 O GLU A 21 3.298 -0.982 4.478 1.00 11.51 O ATOM 293 CB GLU A 21 0.432 -0.086 5.874 1.00 4.02 C ATOM 294 CG GLU A 21 -0.235 -0.220 7.232 1.00 71.33 C ATOM 295 CD GLU A 21 -1.202 -1.386 7.294 1.00 60.11 C ATOM 296 OE1 GLU A 21 -0.829 -2.490 6.843 1.00 15.15 O ATOM 297 OE2 GLU A 21 -2.331 -1.197 7.793 1.00 13.00 O ATOM 0 H GLU A 21 1.152 2.206 6.423 1.00 35.04 H new ATOM 0 HA GLU A 21 2.394 -0.284 6.729 1.00 53.24 H new ATOM 0 HB2 GLU A 21 -0.104 0.660 5.288 1.00 4.02 H new ATOM 0 HB3 GLU A 21 0.345 -1.033 5.341 1.00 4.02 H new ATOM 0 HG2 GLU A 21 0.530 -0.346 7.998 1.00 71.33 H new ATOM 0 HG3 GLU A 21 -0.768 0.702 7.463 1.00 71.33 H new ATOM 304 N VAL A 22 2.387 0.902 3.650 1.00 11.24 N ATOM 305 CA VAL A 22 2.986 0.742 2.330 1.00 13.42 C ATOM 306 C VAL A 22 4.508 0.701 2.419 1.00 54.32 C ATOM 307 O VAL A 22 5.145 -0.229 1.924 1.00 1.43 O ATOM 308 CB VAL A 22 2.569 1.883 1.383 1.00 33.53 C ATOM 309 CG1 VAL A 22 3.381 1.833 0.097 1.00 34.53 C ATOM 310 CG2 VAL A 22 1.079 1.809 1.086 1.00 12.52 C ATOM 0 H VAL A 22 1.807 1.735 3.752 1.00 11.24 H new ATOM 0 HA VAL A 22 2.622 -0.204 1.929 1.00 13.42 H new ATOM 0 HB VAL A 22 2.772 2.834 1.875 1.00 33.53 H new ATOM 0 HG11 VAL A 22 3.073 2.646 -0.560 1.00 34.53 H new ATOM 0 HG12 VAL A 22 4.440 1.937 0.331 1.00 34.53 H new ATOM 0 HG13 VAL A 22 3.212 0.879 -0.403 1.00 34.53 H new ATOM 0 HG21 VAL A 22 0.801 2.622 0.416 1.00 12.52 H new ATOM 0 HG22 VAL A 22 0.849 0.854 0.613 1.00 12.52 H new ATOM 0 HG23 VAL A 22 0.518 1.898 2.016 1.00 12.52 H new ATOM 320 N LYS A 23 5.086 1.716 3.053 1.00 21.42 N ATOM 321 CA LYS A 23 6.534 1.797 3.209 1.00 62.42 C ATOM 322 C LYS A 23 7.068 0.583 3.962 1.00 14.34 C ATOM 323 O LYS A 23 8.163 0.098 3.680 1.00 73.02 O ATOM 324 CB LYS A 23 6.916 3.080 3.950 1.00 12.42 C ATOM 325 CG LYS A 23 7.583 4.118 3.064 1.00 3.34 C ATOM 326 CD LYS A 23 8.956 3.657 2.601 1.00 20.43 C ATOM 327 CE LYS A 23 9.908 3.475 3.774 1.00 65.40 C ATOM 328 NZ LYS A 23 10.005 4.706 4.606 1.00 63.34 N ATOM 0 H LYS A 23 4.573 2.494 3.467 1.00 21.42 H new ATOM 0 HA LYS A 23 6.982 1.812 2.215 1.00 62.42 H new ATOM 0 HB2 LYS A 23 6.020 3.514 4.393 1.00 12.42 H new ATOM 0 HB3 LYS A 23 7.588 2.829 4.771 1.00 12.42 H new ATOM 0 HG2 LYS A 23 6.953 4.316 2.197 1.00 3.34 H new ATOM 0 HG3 LYS A 23 7.678 5.057 3.610 1.00 3.34 H new ATOM 0 HD2 LYS A 23 8.861 2.716 2.059 1.00 20.43 H new ATOM 0 HD3 LYS A 23 9.370 4.386 1.905 1.00 20.43 H new ATOM 0 HE2 LYS A 23 9.567 2.645 4.393 1.00 65.40 H new ATOM 0 HE3 LYS A 23 10.897 3.210 3.401 1.00 65.40 H new ATOM 0 HZ1 LYS A 23 10.843 4.646 5.218 1.00 63.34 H new ATOM 0 HZ2 LYS A 23 10.087 5.538 3.987 1.00 63.34 H new ATOM 0 HZ3 LYS A 23 9.152 4.795 5.194 1.00 63.34 H new ATOM 342 N ALA A 24 6.286 0.096 4.922 1.00 12.44 N ATOM 343 CA ALA A 24 6.681 -1.062 5.713 1.00 34.25 C ATOM 344 C ALA A 24 6.639 -2.337 4.878 1.00 42.32 C ATOM 345 O ALA A 24 7.545 -3.168 4.949 1.00 71.11 O ATOM 346 CB ALA A 24 5.782 -1.199 6.933 1.00 74.50 C ATOM 0 H ALA A 24 5.377 0.486 5.169 1.00 12.44 H new ATOM 0 HA ALA A 24 7.708 -0.910 6.046 1.00 34.25 H new ATOM 0 HB1 ALA A 24 6.088 -2.068 7.515 1.00 74.50 H new ATOM 0 HB2 ALA A 24 5.864 -0.303 7.548 1.00 74.50 H new ATOM 0 HB3 ALA A 24 4.748 -1.324 6.611 1.00 74.50 H new ATOM 352 N PHE A 25 5.581 -2.487 4.087 1.00 15.11 N ATOM 353 CA PHE A 25 5.421 -3.662 3.239 1.00 5.13 C ATOM 354 C PHE A 25 6.676 -3.908 2.406 1.00 35.01 C ATOM 355 O PHE A 25 7.212 -5.016 2.383 1.00 64.34 O ATOM 356 CB PHE A 25 4.211 -3.492 2.318 1.00 34.23 C ATOM 357 CG PHE A 25 2.915 -3.922 2.946 1.00 42.45 C ATOM 358 CD1 PHE A 25 2.714 -3.790 4.310 1.00 75.21 C ATOM 359 CD2 PHE A 25 1.900 -4.458 2.170 1.00 10.14 C ATOM 360 CE1 PHE A 25 1.523 -4.183 4.891 1.00 64.52 C ATOM 361 CE2 PHE A 25 0.707 -4.854 2.745 1.00 33.04 C ATOM 362 CZ PHE A 25 0.518 -4.718 4.107 1.00 13.45 C ATOM 0 H PHE A 25 4.822 -1.809 4.016 1.00 15.11 H new ATOM 0 HA PHE A 25 5.260 -4.525 3.885 1.00 5.13 H new ATOM 0 HB2 PHE A 25 4.133 -2.446 2.023 1.00 34.23 H new ATOM 0 HB3 PHE A 25 4.373 -4.069 1.407 1.00 34.23 H new ATOM 0 HD1 PHE A 25 3.497 -3.375 4.927 1.00 75.21 H new ATOM 0 HD2 PHE A 25 2.042 -4.568 1.105 1.00 10.14 H new ATOM 0 HE1 PHE A 25 1.378 -4.072 5.955 1.00 64.52 H new ATOM 0 HE2 PHE A 25 -0.077 -5.270 2.130 1.00 33.04 H new ATOM 0 HZ PHE A 25 -0.413 -5.029 4.558 1.00 13.45 H new ATOM 372 N VAL A 26 7.141 -2.865 1.725 1.00 25.40 N ATOM 373 CA VAL A 26 8.333 -2.966 0.891 1.00 32.40 C ATOM 374 C VAL A 26 9.587 -3.121 1.744 1.00 3.33 C ATOM 375 O VAL A 26 10.565 -3.737 1.321 1.00 24.02 O ATOM 376 CB VAL A 26 8.491 -1.731 -0.014 1.00 71.14 C ATOM 377 CG1 VAL A 26 9.348 -0.675 0.667 1.00 60.13 C ATOM 378 CG2 VAL A 26 9.086 -2.128 -1.357 1.00 20.51 C ATOM 0 H VAL A 26 6.710 -1.940 1.735 1.00 25.40 H new ATOM 0 HA VAL A 26 8.209 -3.851 0.267 1.00 32.40 H new ATOM 0 HB VAL A 26 7.504 -1.304 -0.191 1.00 71.14 H new ATOM 0 HG11 VAL A 26 9.448 0.190 0.012 1.00 60.13 H new ATOM 0 HG12 VAL A 26 8.876 -0.370 1.601 1.00 60.13 H new ATOM 0 HG13 VAL A 26 10.335 -1.087 0.877 1.00 60.13 H new ATOM 0 HG21 VAL A 26 9.191 -1.243 -1.984 1.00 20.51 H new ATOM 0 HG22 VAL A 26 10.065 -2.581 -1.202 1.00 20.51 H new ATOM 0 HG23 VAL A 26 8.429 -2.845 -1.848 1.00 20.51 H new ATOM 388 N SER A 27 9.553 -2.558 2.947 1.00 74.24 N ATOM 389 CA SER A 27 10.688 -2.630 3.859 1.00 35.31 C ATOM 390 C SER A 27 11.018 -4.080 4.202 1.00 51.23 C ATOM 391 O SER A 27 12.142 -4.398 4.590 1.00 14.13 O ATOM 392 CB SER A 27 10.392 -1.846 5.139 1.00 33.22 C ATOM 393 OG SER A 27 11.197 -0.684 5.222 1.00 15.42 O ATOM 0 H SER A 27 8.750 -2.046 3.313 1.00 74.24 H new ATOM 0 HA SER A 27 11.551 -2.187 3.362 1.00 35.31 H new ATOM 0 HB2 SER A 27 9.339 -1.565 5.162 1.00 33.22 H new ATOM 0 HB3 SER A 27 10.572 -2.480 6.007 1.00 33.22 H new ATOM 0 HG SER A 27 10.988 -0.199 6.048 1.00 15.42 H new ATOM 399 N LYS A 28 10.030 -4.955 4.054 1.00 64.42 N ATOM 400 CA LYS A 28 10.213 -6.372 4.345 1.00 22.25 C ATOM 401 C LYS A 28 11.081 -7.039 3.283 1.00 12.13 C ATOM 402 O LYS A 28 11.488 -8.191 3.432 1.00 0.02 O ATOM 403 CB LYS A 28 8.856 -7.077 4.426 1.00 12.53 C ATOM 404 CG LYS A 28 8.321 -7.207 5.842 1.00 41.24 C ATOM 405 CD LYS A 28 8.263 -5.859 6.542 1.00 42.42 C ATOM 406 CE LYS A 28 7.758 -5.994 7.969 1.00 14.41 C ATOM 407 NZ LYS A 28 6.304 -5.691 8.075 1.00 13.35 N ATOM 0 H LYS A 28 9.094 -4.708 3.734 1.00 64.42 H new ATOM 0 HA LYS A 28 10.718 -6.457 5.307 1.00 22.25 H new ATOM 0 HB2 LYS A 28 8.134 -6.527 3.823 1.00 12.53 H new ATOM 0 HB3 LYS A 28 8.946 -8.071 3.988 1.00 12.53 H new ATOM 0 HG2 LYS A 28 7.324 -7.648 5.816 1.00 41.24 H new ATOM 0 HG3 LYS A 28 8.956 -7.886 6.411 1.00 41.24 H new ATOM 0 HD2 LYS A 28 9.255 -5.408 6.547 1.00 42.42 H new ATOM 0 HD3 LYS A 28 7.610 -5.187 5.986 1.00 42.42 H new ATOM 0 HE2 LYS A 28 7.945 -7.007 8.326 1.00 14.41 H new ATOM 0 HE3 LYS A 28 8.317 -5.320 8.617 1.00 14.41 H new ATOM 0 HZ1 LYS A 28 5.999 -5.794 9.064 1.00 13.35 H new ATOM 0 HZ2 LYS A 28 6.129 -4.716 7.759 1.00 13.35 H new ATOM 0 HZ3 LYS A 28 5.767 -6.351 7.476 1.00 13.35 H new ATOM 421 N LYS A 29 11.363 -6.306 2.211 1.00 1.53 N ATOM 422 CA LYS A 29 12.187 -6.824 1.125 1.00 61.42 C ATOM 423 C LYS A 29 13.616 -6.302 1.228 1.00 33.20 C ATOM 424 O LYS A 29 14.576 -7.059 1.081 1.00 73.32 O ATOM 425 CB LYS A 29 11.586 -6.435 -0.228 1.00 22.43 C ATOM 426 CG LYS A 29 10.067 -6.462 -0.249 1.00 53.22 C ATOM 427 CD LYS A 29 9.524 -6.151 -1.634 1.00 32.31 C ATOM 428 CE LYS A 29 8.019 -5.925 -1.604 1.00 13.43 C ATOM 429 NZ LYS A 29 7.284 -6.991 -2.337 1.00 52.00 N ATOM 0 H LYS A 29 11.033 -5.351 2.071 1.00 1.53 H new ATOM 0 HA LYS A 29 12.210 -7.911 1.207 1.00 61.42 H new ATOM 0 HB2 LYS A 29 11.927 -5.434 -0.493 1.00 22.43 H new ATOM 0 HB3 LYS A 29 11.964 -7.114 -0.993 1.00 22.43 H new ATOM 0 HG2 LYS A 29 9.715 -7.443 0.069 1.00 53.22 H new ATOM 0 HG3 LYS A 29 9.679 -5.737 0.466 1.00 53.22 H new ATOM 0 HD2 LYS A 29 10.019 -5.264 -2.029 1.00 32.31 H new ATOM 0 HD3 LYS A 29 9.756 -6.974 -2.310 1.00 32.31 H new ATOM 0 HE2 LYS A 29 7.677 -5.894 -0.570 1.00 13.43 H new ATOM 0 HE3 LYS A 29 7.788 -4.955 -2.046 1.00 13.43 H new ATOM 0 HZ1 LYS A 29 6.262 -6.801 -2.293 1.00 52.00 H new ATOM 0 HZ2 LYS A 29 7.592 -7.005 -3.330 1.00 52.00 H new ATOM 0 HZ3 LYS A 29 7.484 -7.913 -1.900 1.00 52.00 H new ATOM 443 N ARG A 30 13.749 -5.004 1.481 1.00 32.23 N ATOM 444 CA ARG A 30 15.061 -4.381 1.604 1.00 15.40 C ATOM 445 C ARG A 30 14.970 -3.069 2.379 1.00 52.41 C ATOM 446 O ARG A 30 13.959 -2.783 3.017 1.00 72.42 O ATOM 447 CB ARG A 30 15.661 -4.128 0.220 1.00 2.44 C ATOM 448 CG ARG A 30 14.833 -3.186 -0.639 1.00 2.43 C ATOM 449 CD ARG A 30 15.393 -1.772 -0.614 1.00 31.31 C ATOM 450 NE ARG A 30 15.639 -1.256 -1.958 1.00 62.52 N ATOM 451 CZ ARG A 30 16.718 -1.554 -2.673 1.00 65.34 C ATOM 452 NH1 ARG A 30 17.645 -2.361 -2.176 1.00 34.02 N ATOM 453 NH2 ARG A 30 16.871 -1.046 -3.889 1.00 75.41 N ATOM 0 H ARG A 30 12.965 -4.364 1.605 1.00 32.23 H new ATOM 0 HA ARG A 30 15.709 -5.063 2.154 1.00 15.40 H new ATOM 0 HB2 ARG A 30 16.662 -3.714 0.337 1.00 2.44 H new ATOM 0 HB3 ARG A 30 15.769 -5.080 -0.300 1.00 2.44 H new ATOM 0 HG2 ARG A 30 14.812 -3.552 -1.666 1.00 2.43 H new ATOM 0 HG3 ARG A 30 13.803 -3.177 -0.282 1.00 2.43 H new ATOM 0 HD2 ARG A 30 14.695 -1.115 -0.096 1.00 31.31 H new ATOM 0 HD3 ARG A 30 16.323 -1.761 -0.046 1.00 31.31 H new ATOM 0 HE ARG A 30 14.944 -0.633 -2.370 1.00 62.52 H new ATOM 0 HH11 ARG A 30 17.531 -2.755 -1.242 1.00 34.02 H new ATOM 0 HH12 ARG A 30 18.472 -2.588 -2.728 1.00 34.02 H new ATOM 0 HH21 ARG A 30 16.160 -0.426 -4.276 1.00 75.41 H new ATOM 0 HH22 ARG A 30 17.700 -1.276 -4.437 1.00 75.41 H new ATOM 467 N ALA A 31 16.035 -2.276 2.316 1.00 15.01 N ATOM 468 CA ALA A 31 16.074 -0.994 3.010 1.00 43.44 C ATOM 469 C ALA A 31 16.060 0.166 2.020 1.00 4.30 C ATOM 470 O ALA A 31 17.099 0.540 1.474 1.00 15.31 O ATOM 471 CB ALA A 31 17.304 -0.915 3.902 1.00 74.11 C ATOM 0 H ALA A 31 16.881 -2.498 1.792 1.00 15.01 H new ATOM 0 HA ALA A 31 15.182 -0.917 3.632 1.00 43.44 H new ATOM 0 HB1 ALA A 31 17.321 0.047 4.414 1.00 74.11 H new ATOM 0 HB2 ALA A 31 17.271 -1.718 4.639 1.00 74.11 H new ATOM 0 HB3 ALA A 31 18.202 -1.018 3.293 1.00 74.11 H new ATOM 477 N ILE A 32 14.880 0.729 1.792 1.00 32.50 N ATOM 478 CA ILE A 32 14.732 1.846 0.868 1.00 53.25 C ATOM 479 C ILE A 32 13.907 2.969 1.489 1.00 72.42 C ATOM 480 O ILE A 32 12.680 2.891 1.552 1.00 53.20 O ATOM 481 CB ILE A 32 14.067 1.405 -0.449 1.00 31.41 C ATOM 482 CG1 ILE A 32 13.775 2.620 -1.331 1.00 12.50 C ATOM 483 CG2 ILE A 32 12.788 0.631 -0.163 1.00 15.32 C ATOM 484 CD1 ILE A 32 13.200 2.261 -2.683 1.00 24.01 C ATOM 0 H ILE A 32 14.011 0.430 2.235 1.00 32.50 H new ATOM 0 HA ILE A 32 15.736 2.211 0.654 1.00 53.25 H new ATOM 0 HB ILE A 32 14.754 0.749 -0.984 1.00 31.41 H new ATOM 0 HG12 ILE A 32 13.077 3.277 -0.811 1.00 12.50 H new ATOM 0 HG13 ILE A 32 14.697 3.184 -1.475 1.00 12.50 H new ATOM 0 HG21 ILE A 32 12.329 0.326 -1.104 1.00 15.32 H new ATOM 0 HG22 ILE A 32 13.023 -0.253 0.430 1.00 15.32 H new ATOM 0 HG23 ILE A 32 12.095 1.265 0.390 1.00 15.32 H new ATOM 0 HD11 ILE A 32 13.018 3.171 -3.254 1.00 24.01 H new ATOM 0 HD12 ILE A 32 13.906 1.629 -3.222 1.00 24.01 H new ATOM 0 HD13 ILE A 32 12.261 1.723 -2.548 1.00 24.01 H new ATOM 496 N LYS A 33 14.588 4.013 1.947 1.00 33.12 N ATOM 497 CA LYS A 33 13.920 5.155 2.562 1.00 45.30 C ATOM 498 C LYS A 33 13.552 6.199 1.512 1.00 3.04 C ATOM 499 O LYS A 33 14.405 6.957 1.052 1.00 71.30 O ATOM 500 CB LYS A 33 14.818 5.783 3.630 1.00 60.20 C ATOM 501 CG LYS A 33 16.216 6.110 3.133 1.00 34.54 C ATOM 502 CD LYS A 33 17.277 5.372 3.933 1.00 64.02 C ATOM 503 CE LYS A 33 17.862 6.250 5.027 1.00 11.51 C ATOM 504 NZ LYS A 33 18.863 5.517 5.852 1.00 40.41 N ATOM 0 H LYS A 33 15.604 4.093 1.904 1.00 33.12 H new ATOM 0 HA LYS A 33 13.003 4.799 3.032 1.00 45.30 H new ATOM 0 HB2 LYS A 33 14.349 6.696 3.996 1.00 60.20 H new ATOM 0 HB3 LYS A 33 14.893 5.101 4.477 1.00 60.20 H new ATOM 0 HG2 LYS A 33 16.301 5.842 2.080 1.00 34.54 H new ATOM 0 HG3 LYS A 33 16.387 7.184 3.204 1.00 34.54 H new ATOM 0 HD2 LYS A 33 16.842 4.477 4.377 1.00 64.02 H new ATOM 0 HD3 LYS A 33 18.073 5.042 3.266 1.00 64.02 H new ATOM 0 HE2 LYS A 33 18.332 7.125 4.578 1.00 11.51 H new ATOM 0 HE3 LYS A 33 17.059 6.614 5.668 1.00 11.51 H new ATOM 0 HZ1 LYS A 33 19.238 6.150 6.587 1.00 40.41 H new ATOM 0 HZ2 LYS A 33 18.409 4.697 6.301 1.00 40.41 H new ATOM 0 HZ3 LYS A 33 19.642 5.192 5.245 1.00 40.41 H new ATOM 518 N ASN A 34 12.277 6.233 1.139 1.00 14.51 N ATOM 519 CA ASN A 34 11.796 7.186 0.145 1.00 11.44 C ATOM 520 C ASN A 34 10.642 8.015 0.699 1.00 71.30 C ATOM 521 O ASN A 34 9.504 7.549 0.760 1.00 23.12 O ATOM 522 CB ASN A 34 11.351 6.452 -1.121 1.00 21.00 C ATOM 523 CG ASN A 34 12.501 5.750 -1.817 1.00 43.31 C ATOM 524 OD1 ASN A 34 13.545 5.499 -1.215 1.00 14.41 O ATOM 525 ND2 ASN A 34 12.314 5.428 -3.092 1.00 51.22 N ATOM 0 H ASN A 34 11.558 5.612 1.510 1.00 14.51 H new ATOM 0 HA ASN A 34 12.616 7.860 -0.103 1.00 11.44 H new ATOM 0 HB2 ASN A 34 10.585 5.721 -0.863 1.00 21.00 H new ATOM 0 HB3 ASN A 34 10.894 7.164 -1.809 1.00 21.00 H new ATOM 0 HD21 ASN A 34 13.052 4.953 -3.612 1.00 51.22 H new ATOM 0 HD22 ASN A 34 11.432 5.655 -3.551 1.00 51.22 H new ATOM 532 N GLU A 35 10.943 9.245 1.102 1.00 70.44 N ATOM 533 CA GLU A 35 9.928 10.139 1.651 1.00 65.01 C ATOM 534 C GLU A 35 9.028 10.684 0.545 1.00 14.13 C ATOM 535 O GLU A 35 7.811 10.761 0.705 1.00 25.43 O ATOM 536 CB GLU A 35 10.590 11.295 2.403 1.00 61.10 C ATOM 537 CG GLU A 35 10.099 11.451 3.833 1.00 64.34 C ATOM 538 CD GLU A 35 8.592 11.596 3.919 1.00 72.24 C ATOM 539 OE1 GLU A 35 8.043 12.502 3.257 1.00 53.34 O ATOM 540 OE2 GLU A 35 7.961 10.804 4.650 1.00 65.33 O ATOM 0 H GLU A 35 11.880 9.646 1.059 1.00 70.44 H new ATOM 0 HA GLU A 35 9.313 9.568 2.346 1.00 65.01 H new ATOM 0 HB2 GLU A 35 11.669 11.140 2.413 1.00 61.10 H new ATOM 0 HB3 GLU A 35 10.406 12.223 1.861 1.00 61.10 H new ATOM 0 HG2 GLU A 35 10.411 10.585 4.417 1.00 64.34 H new ATOM 0 HG3 GLU A 35 10.571 12.325 4.282 1.00 64.34 H new ATOM 547 N GLN A 36 9.638 11.062 -0.574 1.00 32.24 N ATOM 548 CA GLN A 36 8.892 11.602 -1.704 1.00 3.25 C ATOM 549 C GLN A 36 8.098 10.505 -2.406 1.00 2.43 C ATOM 550 O GLN A 36 6.904 10.658 -2.665 1.00 65.22 O ATOM 551 CB GLN A 36 9.843 12.274 -2.695 1.00 45.35 C ATOM 552 CG GLN A 36 9.207 12.570 -4.044 1.00 3.01 C ATOM 553 CD GLN A 36 9.510 13.971 -4.538 1.00 61.10 C ATOM 554 OE1 GLN A 36 9.107 14.958 -3.922 1.00 71.05 O ATOM 555 NE2 GLN A 36 10.223 14.064 -5.654 1.00 72.01 N ATOM 0 H GLN A 36 10.646 11.004 -0.722 1.00 32.24 H new ATOM 0 HA GLN A 36 8.191 12.345 -1.323 1.00 3.25 H new ATOM 0 HB2 GLN A 36 10.207 13.206 -2.262 1.00 45.35 H new ATOM 0 HB3 GLN A 36 10.711 11.632 -2.845 1.00 45.35 H new ATOM 0 HG2 GLN A 36 9.564 11.846 -4.776 1.00 3.01 H new ATOM 0 HG3 GLN A 36 8.127 12.441 -3.968 1.00 3.01 H new ATOM 0 HE21 GLN A 36 10.536 13.219 -6.131 1.00 72.01 H new ATOM 0 HE22 GLN A 36 10.458 14.981 -6.034 1.00 72.01 H new ATOM 564 N LEU A 37 8.768 9.400 -2.712 1.00 1.13 N ATOM 565 CA LEU A 37 8.126 8.277 -3.385 1.00 75.22 C ATOM 566 C LEU A 37 6.985 7.718 -2.541 1.00 64.54 C ATOM 567 O LEU A 37 5.937 7.340 -3.068 1.00 74.43 O ATOM 568 CB LEU A 37 9.148 7.177 -3.673 1.00 64.21 C ATOM 569 CG LEU A 37 8.788 6.202 -4.796 1.00 11.51 C ATOM 570 CD1 LEU A 37 9.394 6.659 -6.114 1.00 11.00 C ATOM 571 CD2 LEU A 37 9.254 4.795 -4.450 1.00 42.35 C ATOM 0 H LEU A 37 9.756 9.258 -2.505 1.00 1.13 H new ATOM 0 HA LEU A 37 7.714 8.637 -4.328 1.00 75.22 H new ATOM 0 HB2 LEU A 37 10.099 7.648 -3.920 1.00 64.21 H new ATOM 0 HB3 LEU A 37 9.303 6.605 -2.758 1.00 64.21 H new ATOM 0 HG LEU A 37 7.704 6.187 -4.905 1.00 11.51 H new ATOM 0 HD11 LEU A 37 9.127 5.954 -6.901 1.00 11.00 H new ATOM 0 HD12 LEU A 37 9.011 7.647 -6.367 1.00 11.00 H new ATOM 0 HD13 LEU A 37 10.479 6.704 -6.019 1.00 11.00 H new ATOM 0 HD21 LEU A 37 8.990 4.115 -5.260 1.00 42.35 H new ATOM 0 HD22 LEU A 37 10.335 4.793 -4.313 1.00 42.35 H new ATOM 0 HD23 LEU A 37 8.771 4.468 -3.529 1.00 42.35 H new ATOM 583 N LEU A 38 7.192 7.670 -1.230 1.00 41.33 N ATOM 584 CA LEU A 38 6.180 7.160 -0.314 1.00 35.03 C ATOM 585 C LEU A 38 4.924 8.023 -0.354 1.00 35.21 C ATOM 586 O LEU A 38 3.808 7.510 -0.438 1.00 1.20 O ATOM 587 CB LEU A 38 6.733 7.110 1.112 1.00 41.41 C ATOM 588 CG LEU A 38 5.736 6.729 2.206 1.00 31.25 C ATOM 589 CD1 LEU A 38 4.947 7.948 2.658 1.00 32.10 C ATOM 590 CD2 LEU A 38 4.798 5.637 1.716 1.00 62.52 C ATOM 0 H LEU A 38 8.053 7.979 -0.778 1.00 41.33 H new ATOM 0 HA LEU A 38 5.915 6.151 -0.630 1.00 35.03 H new ATOM 0 HB2 LEU A 38 7.557 6.397 1.136 1.00 41.41 H new ATOM 0 HB3 LEU A 38 7.150 8.088 1.353 1.00 41.41 H new ATOM 0 HG LEU A 38 6.293 6.345 3.060 1.00 31.25 H new ATOM 0 HD11 LEU A 38 4.242 7.657 3.437 1.00 32.10 H new ATOM 0 HD12 LEU A 38 5.632 8.700 3.050 1.00 32.10 H new ATOM 0 HD13 LEU A 38 4.400 8.362 1.811 1.00 32.10 H new ATOM 0 HD21 LEU A 38 4.095 5.379 2.508 1.00 62.52 H new ATOM 0 HD22 LEU A 38 4.248 5.994 0.845 1.00 62.52 H new ATOM 0 HD23 LEU A 38 5.377 4.755 1.443 1.00 62.52 H new ATOM 602 N GLN A 39 5.113 9.338 -0.294 1.00 24.41 N ATOM 603 CA GLN A 39 3.995 10.273 -0.326 1.00 60.32 C ATOM 604 C GLN A 39 3.228 10.161 -1.640 1.00 40.41 C ATOM 605 O GLN A 39 2.007 10.003 -1.647 1.00 63.23 O ATOM 606 CB GLN A 39 4.495 11.705 -0.133 1.00 72.25 C ATOM 607 CG GLN A 39 4.042 12.337 1.174 1.00 61.11 C ATOM 608 CD GLN A 39 3.198 13.578 0.961 1.00 53.04 C ATOM 609 OE1 GLN A 39 3.435 14.617 1.577 1.00 61.33 O ATOM 610 NE2 GLN A 39 2.206 13.477 0.084 1.00 63.04 N ATOM 0 H GLN A 39 6.030 9.779 -0.223 1.00 24.41 H new ATOM 0 HA GLN A 39 3.318 10.019 0.490 1.00 60.32 H new ATOM 0 HB2 GLN A 39 5.584 11.709 -0.170 1.00 72.25 H new ATOM 0 HB3 GLN A 39 4.145 12.318 -0.964 1.00 72.25 H new ATOM 0 HG2 GLN A 39 3.470 11.607 1.747 1.00 61.11 H new ATOM 0 HG3 GLN A 39 4.917 12.595 1.771 1.00 61.11 H new ATOM 0 HE21 GLN A 39 2.045 12.596 -0.405 1.00 63.04 H new ATOM 0 HE22 GLN A 39 1.605 14.280 -0.101 1.00 63.04 H new ATOM 619 N LEU A 40 3.952 10.244 -2.750 1.00 51.41 N ATOM 620 CA LEU A 40 3.341 10.154 -4.071 1.00 62.10 C ATOM 621 C LEU A 40 2.687 8.791 -4.275 1.00 72.03 C ATOM 622 O LEU A 40 1.516 8.703 -4.646 1.00 53.13 O ATOM 623 CB LEU A 40 4.390 10.396 -5.158 1.00 51.42 C ATOM 624 CG LEU A 40 3.937 11.236 -6.353 1.00 34.42 C ATOM 625 CD1 LEU A 40 5.038 11.313 -7.399 1.00 71.45 C ATOM 626 CD2 LEU A 40 2.663 10.663 -6.956 1.00 12.52 C ATOM 0 H LEU A 40 4.964 10.374 -2.762 1.00 51.41 H new ATOM 0 HA LEU A 40 2.571 10.922 -4.141 1.00 62.10 H new ATOM 0 HB2 LEU A 40 5.251 10.884 -4.702 1.00 51.42 H new ATOM 0 HB3 LEU A 40 4.731 9.429 -5.528 1.00 51.42 H new ATOM 0 HG LEU A 40 3.726 12.247 -6.003 1.00 34.42 H new ATOM 0 HD11 LEU A 40 4.698 11.915 -8.242 1.00 71.45 H new ATOM 0 HD12 LEU A 40 5.925 11.771 -6.961 1.00 71.45 H new ATOM 0 HD13 LEU A 40 5.282 10.309 -7.745 1.00 71.45 H new ATOM 0 HD21 LEU A 40 2.356 11.274 -7.805 1.00 12.52 H new ATOM 0 HD22 LEU A 40 2.846 9.642 -7.291 1.00 12.52 H new ATOM 0 HD23 LEU A 40 1.873 10.662 -6.205 1.00 12.52 H new ATOM 638 N ILE A 41 3.449 7.731 -4.030 1.00 53.51 N ATOM 639 CA ILE A 41 2.942 6.373 -4.183 1.00 62.14 C ATOM 640 C ILE A 41 1.750 6.125 -3.265 1.00 71.33 C ATOM 641 O ILE A 41 0.835 5.374 -3.607 1.00 0.21 O ATOM 642 CB ILE A 41 4.032 5.328 -3.884 1.00 40.13 C ATOM 643 CG1 ILE A 41 5.105 5.351 -4.975 1.00 33.32 C ATOM 644 CG2 ILE A 41 3.418 3.940 -3.766 1.00 53.13 C ATOM 645 CD1 ILE A 41 4.597 4.911 -6.330 1.00 3.41 C ATOM 0 H ILE A 41 4.421 7.786 -3.724 1.00 53.51 H new ATOM 0 HA ILE A 41 2.626 6.269 -5.221 1.00 62.14 H new ATOM 0 HB ILE A 41 4.502 5.578 -2.933 1.00 40.13 H new ATOM 0 HG12 ILE A 41 5.507 6.361 -5.057 1.00 33.32 H new ATOM 0 HG13 ILE A 41 5.929 4.703 -4.677 1.00 33.32 H new ATOM 0 HG21 ILE A 41 4.202 3.212 -3.555 1.00 53.13 H new ATOM 0 HG22 ILE A 41 2.688 3.933 -2.957 1.00 53.13 H new ATOM 0 HG23 ILE A 41 2.924 3.680 -4.702 1.00 53.13 H new ATOM 0 HD11 ILE A 41 5.410 4.952 -7.054 1.00 3.41 H new ATOM 0 HD12 ILE A 41 4.221 3.890 -6.264 1.00 3.41 H new ATOM 0 HD13 ILE A 41 3.793 5.574 -6.650 1.00 3.41 H new ATOM 657 N PHE A 42 1.765 6.762 -2.099 1.00 62.25 N ATOM 658 CA PHE A 42 0.684 6.611 -1.131 1.00 45.43 C ATOM 659 C PHE A 42 -0.640 7.095 -1.715 1.00 63.24 C ATOM 660 O PHE A 42 -1.632 6.366 -1.721 1.00 72.15 O ATOM 661 CB PHE A 42 1.005 7.387 0.148 1.00 71.23 C ATOM 662 CG PHE A 42 -0.156 7.485 1.096 1.00 62.12 C ATOM 663 CD1 PHE A 42 -0.787 6.342 1.561 1.00 11.11 C ATOM 664 CD2 PHE A 42 -0.616 8.721 1.523 1.00 64.13 C ATOM 665 CE1 PHE A 42 -1.855 6.430 2.433 1.00 44.23 C ATOM 666 CE2 PHE A 42 -1.685 8.814 2.395 1.00 10.43 C ATOM 667 CZ PHE A 42 -2.304 7.667 2.851 1.00 15.30 C ATOM 0 H PHE A 42 2.513 7.388 -1.801 1.00 62.25 H new ATOM 0 HA PHE A 42 0.589 5.552 -0.891 1.00 45.43 H new ATOM 0 HB2 PHE A 42 1.840 6.904 0.657 1.00 71.23 H new ATOM 0 HB3 PHE A 42 1.332 8.392 -0.119 1.00 71.23 H new ATOM 0 HD1 PHE A 42 -0.440 5.372 1.238 1.00 11.11 H new ATOM 0 HD2 PHE A 42 -0.134 9.621 1.171 1.00 64.13 H new ATOM 0 HE1 PHE A 42 -2.338 5.532 2.788 1.00 44.23 H new ATOM 0 HE2 PHE A 42 -2.035 9.783 2.719 1.00 10.43 H new ATOM 0 HZ PHE A 42 -3.138 7.737 3.534 1.00 15.30 H new ATOM 677 N LYS A 43 -0.647 8.330 -2.205 1.00 40.25 N ATOM 678 CA LYS A 43 -1.848 8.914 -2.792 1.00 40.30 C ATOM 679 C LYS A 43 -2.147 8.289 -4.151 1.00 60.13 C ATOM 680 O LYS A 43 -3.306 8.178 -4.552 1.00 72.42 O ATOM 681 CB LYS A 43 -1.684 10.428 -2.940 1.00 54.22 C ATOM 682 CG LYS A 43 -2.869 11.222 -2.418 1.00 54.32 C ATOM 683 CD LYS A 43 -2.436 12.270 -1.406 1.00 24.21 C ATOM 684 CE LYS A 43 -3.474 13.371 -1.266 1.00 53.34 C ATOM 685 NZ LYS A 43 -2.936 14.697 -1.679 1.00 14.33 N ATOM 0 H LYS A 43 0.166 8.946 -2.207 1.00 40.25 H new ATOM 0 HA LYS A 43 -2.685 8.709 -2.125 1.00 40.30 H new ATOM 0 HB2 LYS A 43 -0.785 10.741 -2.409 1.00 54.22 H new ATOM 0 HB3 LYS A 43 -1.532 10.667 -3.992 1.00 54.22 H new ATOM 0 HG2 LYS A 43 -3.378 11.707 -3.251 1.00 54.32 H new ATOM 0 HG3 LYS A 43 -3.587 10.544 -1.957 1.00 54.32 H new ATOM 0 HD2 LYS A 43 -2.273 11.797 -0.438 1.00 24.21 H new ATOM 0 HD3 LYS A 43 -1.484 12.703 -1.713 1.00 24.21 H new ATOM 0 HE2 LYS A 43 -4.346 13.128 -1.874 1.00 53.34 H new ATOM 0 HE3 LYS A 43 -3.811 13.422 -0.231 1.00 53.34 H new ATOM 0 HZ1 LYS A 43 -3.675 15.421 -1.569 1.00 14.33 H new ATOM 0 HZ2 LYS A 43 -2.120 14.941 -1.083 1.00 14.33 H new ATOM 0 HZ3 LYS A 43 -2.638 14.656 -2.674 1.00 14.33 H new ATOM 699 N SER A 44 -1.096 7.881 -4.855 1.00 55.05 N ATOM 700 CA SER A 44 -1.248 7.271 -6.171 1.00 22.23 C ATOM 701 C SER A 44 -1.914 5.903 -6.060 1.00 63.11 C ATOM 702 O SER A 44 -2.882 5.614 -6.764 1.00 0.11 O ATOM 703 CB SER A 44 0.116 7.133 -6.852 1.00 60.35 C ATOM 704 OG SER A 44 0.530 8.364 -7.418 1.00 73.33 O ATOM 0 H SER A 44 -0.130 7.962 -4.536 1.00 55.05 H new ATOM 0 HA SER A 44 -1.884 7.918 -6.775 1.00 22.23 H new ATOM 0 HB2 SER A 44 0.856 6.796 -6.126 1.00 60.35 H new ATOM 0 HB3 SER A 44 0.062 6.371 -7.630 1.00 60.35 H new ATOM 0 HG SER A 44 1.320 8.217 -7.979 1.00 73.33 H new ATOM 710 N ILE A 45 -1.389 5.066 -5.172 1.00 24.42 N ATOM 711 CA ILE A 45 -1.934 3.729 -4.969 1.00 31.23 C ATOM 712 C ILE A 45 -3.341 3.791 -4.385 1.00 53.21 C ATOM 713 O ILE A 45 -4.224 3.031 -4.783 1.00 2.41 O ATOM 714 CB ILE A 45 -1.039 2.893 -4.034 1.00 33.13 C ATOM 715 CG1 ILE A 45 0.293 2.576 -4.716 1.00 12.13 C ATOM 716 CG2 ILE A 45 -1.750 1.612 -3.625 1.00 63.25 C ATOM 717 CD1 ILE A 45 1.204 1.700 -3.884 1.00 65.25 C ATOM 0 H ILE A 45 -0.588 5.289 -4.582 1.00 24.42 H new ATOM 0 HA ILE A 45 -1.971 3.251 -5.948 1.00 31.23 H new ATOM 0 HB ILE A 45 -0.835 3.474 -3.135 1.00 33.13 H new ATOM 0 HG12 ILE A 45 0.096 2.082 -5.667 1.00 12.13 H new ATOM 0 HG13 ILE A 45 0.807 3.510 -4.942 1.00 12.13 H new ATOM 0 HG21 ILE A 45 -1.105 1.033 -2.965 1.00 63.25 H new ATOM 0 HG22 ILE A 45 -2.674 1.860 -3.103 1.00 63.25 H new ATOM 0 HG23 ILE A 45 -1.981 1.025 -4.514 1.00 63.25 H new ATOM 0 HD11 ILE A 45 2.130 1.516 -4.429 1.00 65.25 H new ATOM 0 HD12 ILE A 45 1.431 2.201 -2.943 1.00 65.25 H new ATOM 0 HD13 ILE A 45 0.709 0.751 -3.679 1.00 65.25 H new ATOM 729 N ASP A 46 -3.544 4.703 -3.441 1.00 34.10 N ATOM 730 CA ASP A 46 -4.846 4.867 -2.803 1.00 40.43 C ATOM 731 C ASP A 46 -5.839 5.520 -3.759 1.00 73.03 C ATOM 732 O ASP A 46 -5.624 6.638 -4.226 1.00 65.22 O ATOM 733 CB ASP A 46 -4.712 5.709 -1.533 1.00 70.32 C ATOM 734 CG ASP A 46 -5.719 5.315 -0.470 1.00 51.50 C ATOM 735 OD1 ASP A 46 -6.786 4.779 -0.833 1.00 62.32 O ATOM 736 OD2 ASP A 46 -5.439 5.544 0.726 1.00 32.23 O ATOM 0 H ASP A 46 -2.824 5.340 -3.100 1.00 34.10 H new ATOM 0 HA ASP A 46 -5.221 3.879 -2.536 1.00 40.43 H new ATOM 0 HB2 ASP A 46 -3.704 5.600 -1.133 1.00 70.32 H new ATOM 0 HB3 ASP A 46 -4.844 6.762 -1.783 1.00 70.32 H new ATOM 741 N ALA A 47 -6.929 4.813 -4.046 1.00 1.54 N ATOM 742 CA ALA A 47 -7.956 5.324 -4.944 1.00 43.33 C ATOM 743 C ALA A 47 -8.643 6.550 -4.353 1.00 11.43 C ATOM 744 O ALA A 47 -8.926 7.517 -5.061 1.00 0.54 O ATOM 745 CB ALA A 47 -8.977 4.239 -5.249 1.00 70.51 C ATOM 0 H ALA A 47 -7.122 3.885 -3.669 1.00 1.54 H new ATOM 0 HA ALA A 47 -7.473 5.625 -5.874 1.00 43.33 H new ATOM 0 HB1 ALA A 47 -9.739 4.635 -5.921 1.00 70.51 H new ATOM 0 HB2 ALA A 47 -8.479 3.393 -5.723 1.00 70.51 H new ATOM 0 HB3 ALA A 47 -9.447 3.910 -4.322 1.00 70.51 H new ATOM 751 N ASP A 48 -8.910 6.503 -3.053 1.00 4.21 N ATOM 752 CA ASP A 48 -9.564 7.610 -2.366 1.00 0.24 C ATOM 753 C ASP A 48 -8.585 8.335 -1.448 1.00 41.20 C ATOM 754 O ASP A 48 -8.843 9.454 -1.008 1.00 53.13 O ATOM 755 CB ASP A 48 -10.760 7.102 -1.558 1.00 11.12 C ATOM 756 CG ASP A 48 -10.369 6.035 -0.554 1.00 50.52 C ATOM 757 OD1 ASP A 48 -9.166 5.707 -0.475 1.00 73.54 O ATOM 758 OD2 ASP A 48 -11.265 5.528 0.150 1.00 33.24 O ATOM 0 H ASP A 48 -8.683 5.710 -2.453 1.00 4.21 H new ATOM 0 HA ASP A 48 -9.917 8.314 -3.119 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -11.222 7.938 -1.034 1.00 11.12 H new ATOM 0 HB3 ASP A 48 -11.510 6.699 -2.239 1.00 11.12 H new ATOM 763 N GLY A 49 -7.460 7.686 -1.161 1.00 41.44 N ATOM 764 CA GLY A 49 -6.459 8.283 -0.296 1.00 53.33 C ATOM 765 C GLY A 49 -7.010 8.632 1.073 1.00 51.44 C ATOM 766 O GLY A 49 -6.589 9.611 1.688 1.00 4.02 O ATOM 0 H GLY A 49 -7.224 6.758 -1.512 1.00 41.44 H new ATOM 0 HA2 GLY A 49 -5.623 7.593 -0.183 1.00 53.33 H new ATOM 0 HA3 GLY A 49 -6.067 9.184 -0.767 1.00 53.33 H new ATOM 770 N ASN A 50 -7.957 7.830 1.549 1.00 33.13 N ATOM 771 CA ASN A 50 -8.568 8.060 2.854 1.00 43.52 C ATOM 772 C ASN A 50 -7.726 7.441 3.966 1.00 54.33 C ATOM 773 O ASN A 50 -8.031 6.357 4.460 1.00 75.22 O ATOM 774 CB ASN A 50 -9.982 7.479 2.887 1.00 61.34 C ATOM 775 CG ASN A 50 -10.003 5.991 2.593 1.00 72.04 C ATOM 776 OD1 ASN A 50 -9.024 5.430 2.103 1.00 40.33 O ATOM 777 ND2 ASN A 50 -11.124 5.345 2.893 1.00 60.01 N ATOM 0 H ASN A 50 -8.318 7.016 1.052 1.00 33.13 H new ATOM 0 HA ASN A 50 -8.620 9.136 3.018 1.00 43.52 H new ATOM 0 HB2 ASN A 50 -10.423 7.659 3.867 1.00 61.34 H new ATOM 0 HB3 ASN A 50 -10.603 7.999 2.158 1.00 61.34 H new ATOM 0 HD21 ASN A 50 -11.197 4.343 2.718 1.00 60.01 H new ATOM 0 HD22 ASN A 50 -11.911 5.851 3.298 1.00 60.01 H new ATOM 784 N GLY A 51 -6.664 8.140 4.355 1.00 54.43 N ATOM 785 CA GLY A 51 -5.794 7.646 5.406 1.00 22.40 C ATOM 786 C GLY A 51 -5.007 6.423 4.980 1.00 64.41 C ATOM 787 O GLY A 51 -3.805 6.335 5.225 1.00 31.02 O ATOM 0 H GLY A 51 -6.391 9.040 3.961 1.00 54.43 H new ATOM 0 HA2 GLY A 51 -5.102 8.435 5.701 1.00 22.40 H new ATOM 0 HA3 GLY A 51 -6.392 7.402 6.284 1.00 22.40 H new ATOM 791 N GLU A 52 -5.688 5.477 4.340 1.00 63.01 N ATOM 792 CA GLU A 52 -5.043 4.252 3.881 1.00 60.44 C ATOM 793 C GLU A 52 -5.758 3.687 2.655 1.00 13.33 C ATOM 794 O GLU A 52 -6.875 4.093 2.334 1.00 33.33 O ATOM 795 CB GLU A 52 -5.025 3.208 4.999 1.00 2.11 C ATOM 796 CG GLU A 52 -6.344 3.091 5.743 1.00 23.32 C ATOM 797 CD GLU A 52 -7.534 2.980 4.809 1.00 42.43 C ATOM 798 OE1 GLU A 52 -7.564 2.033 3.996 1.00 52.53 O ATOM 799 OE2 GLU A 52 -8.434 3.842 4.891 1.00 23.52 O ATOM 0 H GLU A 52 -6.684 5.535 4.128 1.00 63.01 H new ATOM 0 HA GLU A 52 -4.017 4.495 3.604 1.00 60.44 H new ATOM 0 HB2 GLU A 52 -4.770 2.237 4.574 1.00 2.11 H new ATOM 0 HB3 GLU A 52 -4.238 3.462 5.709 1.00 2.11 H new ATOM 0 HG2 GLU A 52 -6.314 2.216 6.392 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -6.472 3.961 6.387 1.00 23.32 H new ATOM 806 N ILE A 53 -5.104 2.752 1.976 1.00 20.22 N ATOM 807 CA ILE A 53 -5.676 2.131 0.787 1.00 35.30 C ATOM 808 C ILE A 53 -6.400 0.836 1.138 1.00 41.14 C ATOM 809 O ILE A 53 -5.819 -0.072 1.733 1.00 54.41 O ATOM 810 CB ILE A 53 -4.594 1.832 -0.268 1.00 53.02 C ATOM 811 CG1 ILE A 53 -3.593 2.986 -0.344 1.00 2.12 C ATOM 812 CG2 ILE A 53 -5.234 1.587 -1.627 1.00 12.51 C ATOM 813 CD1 ILE A 53 -2.233 2.644 0.224 1.00 32.34 C ATOM 0 H ILE A 53 -4.178 2.407 2.228 1.00 20.22 H new ATOM 0 HA ILE A 53 -6.390 2.842 0.372 1.00 35.30 H new ATOM 0 HB ILE A 53 -4.058 0.930 0.027 1.00 53.02 H new ATOM 0 HG12 ILE A 53 -3.478 3.288 -1.385 1.00 2.12 H new ATOM 0 HG13 ILE A 53 -3.997 3.843 0.194 1.00 2.12 H new ATOM 0 HG21 ILE A 53 -4.457 1.377 -2.362 1.00 12.51 H new ATOM 0 HG22 ILE A 53 -5.912 0.736 -1.562 1.00 12.51 H new ATOM 0 HG23 ILE A 53 -5.792 2.473 -1.931 1.00 12.51 H new ATOM 0 HD11 ILE A 53 -1.575 3.508 0.137 1.00 32.34 H new ATOM 0 HD12 ILE A 53 -2.336 2.370 1.274 1.00 32.34 H new ATOM 0 HD13 ILE A 53 -1.808 1.807 -0.329 1.00 32.34 H new ATOM 825 N ASP A 54 -7.673 0.757 0.763 1.00 32.14 N ATOM 826 CA ASP A 54 -8.477 -0.429 1.035 1.00 40.42 C ATOM 827 C ASP A 54 -8.128 -1.555 0.067 1.00 25.02 C ATOM 828 O ASP A 54 -7.568 -1.317 -1.002 1.00 51.42 O ATOM 829 CB ASP A 54 -9.967 -0.096 0.933 1.00 3.53 C ATOM 830 CG ASP A 54 -10.296 1.263 1.519 1.00 32.44 C ATOM 831 OD1 ASP A 54 -9.597 1.690 2.461 1.00 3.15 O ATOM 832 OD2 ASP A 54 -11.254 1.900 1.035 1.00 55.45 O ATOM 0 H ASP A 54 -8.169 1.500 0.270 1.00 32.14 H new ATOM 0 HA ASP A 54 -8.256 -0.763 2.049 1.00 40.42 H new ATOM 0 HB2 ASP A 54 -10.271 -0.121 -0.113 1.00 3.53 H new ATOM 0 HB3 ASP A 54 -10.544 -0.862 1.451 1.00 3.53 H new ATOM 837 N GLN A 55 -8.464 -2.783 0.451 1.00 4.55 N ATOM 838 CA GLN A 55 -8.183 -3.947 -0.382 1.00 60.24 C ATOM 839 C GLN A 55 -8.765 -3.767 -1.781 1.00 71.22 C ATOM 840 O GLN A 55 -8.113 -4.072 -2.779 1.00 32.01 O ATOM 841 CB GLN A 55 -8.755 -5.212 0.261 1.00 15.41 C ATOM 842 CG GLN A 55 -10.245 -5.127 0.550 1.00 31.25 C ATOM 843 CD GLN A 55 -11.087 -5.752 -0.544 1.00 2.12 C ATOM 844 OE1 GLN A 55 -10.639 -6.659 -1.247 1.00 31.53 O ATOM 845 NE2 GLN A 55 -12.315 -5.270 -0.695 1.00 51.10 N ATOM 0 H GLN A 55 -8.931 -2.997 1.332 1.00 4.55 H new ATOM 0 HA GLN A 55 -7.101 -4.049 -0.467 1.00 60.24 H new ATOM 0 HB2 GLN A 55 -8.569 -6.060 -0.398 1.00 15.41 H new ATOM 0 HB3 GLN A 55 -8.223 -5.409 1.192 1.00 15.41 H new ATOM 0 HG2 GLN A 55 -10.457 -5.625 1.496 1.00 31.25 H new ATOM 0 HG3 GLN A 55 -10.529 -4.082 0.670 1.00 31.25 H new ATOM 0 HE21 GLN A 55 -12.646 -4.518 -0.090 1.00 51.10 H new ATOM 0 HE22 GLN A 55 -12.928 -5.652 -1.416 1.00 51.10 H new ATOM 854 N ASN A 56 -9.996 -3.272 -1.845 1.00 74.25 N ATOM 855 CA ASN A 56 -10.667 -3.052 -3.122 1.00 21.13 C ATOM 856 C ASN A 56 -9.857 -2.109 -4.007 1.00 32.53 C ATOM 857 O ASN A 56 -9.598 -2.407 -5.172 1.00 2.21 O ATOM 858 CB ASN A 56 -12.067 -2.478 -2.894 1.00 24.55 C ATOM 859 CG ASN A 56 -13.071 -2.983 -3.914 1.00 14.11 C ATOM 860 OD1 ASN A 56 -13.055 -4.154 -4.290 1.00 24.54 O ATOM 861 ND2 ASN A 56 -13.950 -2.096 -4.366 1.00 10.21 N ATOM 0 H ASN A 56 -10.550 -3.015 -1.028 1.00 74.25 H new ATOM 0 HA ASN A 56 -10.753 -4.013 -3.629 1.00 21.13 H new ATOM 0 HB2 ASN A 56 -12.406 -2.742 -1.892 1.00 24.55 H new ATOM 0 HB3 ASN A 56 -12.023 -1.390 -2.939 1.00 24.55 H new ATOM 0 HD21 ASN A 56 -14.649 -2.376 -5.054 1.00 10.21 H new ATOM 0 HD22 ASN A 56 -13.926 -1.135 -4.026 1.00 10.21 H new ATOM 868 N GLU A 57 -9.460 -0.973 -3.443 1.00 41.44 N ATOM 869 CA GLU A 57 -8.679 0.012 -4.182 1.00 54.15 C ATOM 870 C GLU A 57 -7.360 -0.585 -4.660 1.00 4.33 C ATOM 871 O GLU A 57 -6.949 -0.379 -5.802 1.00 43.10 O ATOM 872 CB GLU A 57 -8.409 1.240 -3.309 1.00 32.43 C ATOM 873 CG GLU A 57 -9.668 1.867 -2.734 1.00 11.05 C ATOM 874 CD GLU A 57 -9.396 2.678 -1.482 1.00 21.22 C ATOM 875 OE1 GLU A 57 -8.231 2.706 -1.033 1.00 63.43 O ATOM 876 OE2 GLU A 57 -10.350 3.285 -0.950 1.00 51.01 O ATOM 0 H GLU A 57 -9.666 -0.712 -2.479 1.00 41.44 H new ATOM 0 HA GLU A 57 -9.257 0.315 -5.055 1.00 54.15 H new ATOM 0 HB2 GLU A 57 -7.749 0.955 -2.490 1.00 32.43 H new ATOM 0 HB3 GLU A 57 -7.879 1.986 -3.901 1.00 32.43 H new ATOM 0 HG2 GLU A 57 -10.126 2.509 -3.486 1.00 11.05 H new ATOM 0 HG3 GLU A 57 -10.388 1.082 -2.504 1.00 11.05 H new ATOM 883 N PHE A 58 -6.699 -1.327 -3.777 1.00 24.31 N ATOM 884 CA PHE A 58 -5.425 -1.955 -4.107 1.00 23.34 C ATOM 885 C PHE A 58 -5.594 -2.968 -5.235 1.00 5.30 C ATOM 886 O PHE A 58 -4.784 -3.024 -6.160 1.00 71.22 O ATOM 887 CB PHE A 58 -4.835 -2.642 -2.873 1.00 51.04 C ATOM 888 CG PHE A 58 -3.364 -2.917 -2.986 1.00 41.20 C ATOM 889 CD1 PHE A 58 -2.903 -4.036 -3.661 1.00 61.15 C ATOM 890 CD2 PHE A 58 -2.439 -2.056 -2.416 1.00 31.40 C ATOM 891 CE1 PHE A 58 -1.549 -4.292 -3.767 1.00 73.41 C ATOM 892 CE2 PHE A 58 -1.084 -2.307 -2.519 1.00 71.11 C ATOM 893 CZ PHE A 58 -0.638 -3.427 -3.194 1.00 53.44 C ATOM 0 H PHE A 58 -7.025 -1.508 -2.828 1.00 24.31 H new ATOM 0 HA PHE A 58 -4.741 -1.176 -4.442 1.00 23.34 H new ATOM 0 HB2 PHE A 58 -5.013 -2.016 -1.999 1.00 51.04 H new ATOM 0 HB3 PHE A 58 -5.360 -3.582 -2.705 1.00 51.04 H new ATOM 0 HD1 PHE A 58 -3.611 -4.717 -4.110 1.00 61.15 H new ATOM 0 HD2 PHE A 58 -2.781 -1.180 -1.886 1.00 31.40 H new ATOM 0 HE1 PHE A 58 -1.204 -5.167 -4.297 1.00 73.41 H new ATOM 0 HE2 PHE A 58 -0.374 -1.628 -2.072 1.00 71.11 H new ATOM 0 HZ PHE A 58 0.421 -3.625 -3.273 1.00 53.44 H new ATOM 903 N ALA A 59 -6.651 -3.769 -5.151 1.00 34.21 N ATOM 904 CA ALA A 59 -6.928 -4.779 -6.164 1.00 60.32 C ATOM 905 C ALA A 59 -7.108 -4.143 -7.539 1.00 31.42 C ATOM 906 O ALA A 59 -6.478 -4.555 -8.512 1.00 11.21 O ATOM 907 CB ALA A 59 -8.165 -5.582 -5.786 1.00 11.45 C ATOM 0 H ALA A 59 -7.330 -3.738 -4.391 1.00 34.21 H new ATOM 0 HA ALA A 59 -6.072 -5.452 -6.213 1.00 60.32 H new ATOM 0 HB1 ALA A 59 -8.360 -6.333 -6.552 1.00 11.45 H new ATOM 0 HB2 ALA A 59 -8.000 -6.075 -4.828 1.00 11.45 H new ATOM 0 HB3 ALA A 59 -9.022 -4.914 -5.707 1.00 11.45 H new ATOM 913 N LYS A 60 -7.974 -3.138 -7.610 1.00 45.45 N ATOM 914 CA LYS A 60 -8.238 -2.443 -8.866 1.00 1.04 C ATOM 915 C LYS A 60 -6.987 -1.728 -9.365 1.00 44.33 C ATOM 916 O LYS A 60 -6.829 -1.498 -10.564 1.00 42.34 O ATOM 917 CB LYS A 60 -9.376 -1.437 -8.686 1.00 14.11 C ATOM 918 CG LYS A 60 -10.666 -2.060 -8.182 1.00 62.51 C ATOM 919 CD LYS A 60 -11.523 -2.570 -9.329 1.00 73.12 C ATOM 920 CE LYS A 60 -12.310 -1.442 -9.981 1.00 1.33 C ATOM 921 NZ LYS A 60 -13.492 -1.048 -9.167 1.00 15.10 N ATOM 0 H LYS A 60 -8.505 -2.786 -6.813 1.00 45.45 H new ATOM 0 HA LYS A 60 -8.531 -3.185 -9.609 1.00 1.04 H new ATOM 0 HB2 LYS A 60 -9.059 -0.664 -7.986 1.00 14.11 H new ATOM 0 HB3 LYS A 60 -9.569 -0.945 -9.639 1.00 14.11 H new ATOM 0 HG2 LYS A 60 -10.434 -2.883 -7.506 1.00 62.51 H new ATOM 0 HG3 LYS A 60 -11.227 -1.323 -7.607 1.00 62.51 H new ATOM 0 HD2 LYS A 60 -10.888 -3.050 -10.074 1.00 73.12 H new ATOM 0 HD3 LYS A 60 -12.212 -3.330 -8.960 1.00 73.12 H new ATOM 0 HE2 LYS A 60 -11.660 -0.578 -10.119 1.00 1.33 H new ATOM 0 HE3 LYS A 60 -12.639 -1.755 -10.972 1.00 1.33 H new ATOM 0 HZ1 LYS A 60 -14.057 -0.350 -9.691 1.00 15.10 H new ATOM 0 HZ2 LYS A 60 -14.074 -1.887 -8.971 1.00 15.10 H new ATOM 0 HZ3 LYS A 60 -13.172 -0.631 -8.270 1.00 15.10 H new ATOM 935 N PHE A 61 -6.100 -1.381 -8.439 1.00 40.54 N ATOM 936 CA PHE A 61 -4.862 -0.692 -8.786 1.00 44.40 C ATOM 937 C PHE A 61 -3.839 -1.668 -9.360 1.00 43.15 C ATOM 938 O PHE A 61 -3.063 -1.319 -10.250 1.00 1.12 O ATOM 939 CB PHE A 61 -4.280 0.008 -7.556 1.00 60.52 C ATOM 940 CG PHE A 61 -2.792 0.197 -7.622 1.00 13.02 C ATOM 941 CD1 PHE A 61 -2.217 0.927 -8.649 1.00 43.04 C ATOM 942 CD2 PHE A 61 -1.967 -0.356 -6.655 1.00 0.32 C ATOM 943 CE1 PHE A 61 -0.848 1.104 -8.711 1.00 44.24 C ATOM 944 CE2 PHE A 61 -0.597 -0.183 -6.713 1.00 63.11 C ATOM 945 CZ PHE A 61 -0.036 0.547 -7.743 1.00 65.53 C ATOM 0 H PHE A 61 -6.215 -1.565 -7.442 1.00 40.54 H new ATOM 0 HA PHE A 61 -5.093 0.055 -9.546 1.00 44.40 H new ATOM 0 HB2 PHE A 61 -4.757 0.981 -7.442 1.00 60.52 H new ATOM 0 HB3 PHE A 61 -4.525 -0.573 -6.667 1.00 60.52 H new ATOM 0 HD1 PHE A 61 -2.846 1.363 -9.411 1.00 43.04 H new ATOM 0 HD2 PHE A 61 -2.399 -0.928 -5.848 1.00 0.32 H new ATOM 0 HE1 PHE A 61 -0.413 1.678 -9.516 1.00 44.24 H new ATOM 0 HE2 PHE A 61 0.035 -0.618 -5.953 1.00 63.11 H new ATOM 0 HZ PHE A 61 1.035 0.682 -7.791 1.00 65.53 H new ATOM 955 N TYR A 62 -3.844 -2.893 -8.846 1.00 74.44 N ATOM 956 CA TYR A 62 -2.917 -3.919 -9.304 1.00 12.52 C ATOM 957 C TYR A 62 -3.160 -4.258 -10.772 1.00 73.03 C ATOM 958 O TYR A 62 -4.237 -4.721 -11.143 1.00 25.41 O ATOM 959 CB TYR A 62 -3.054 -5.180 -8.449 1.00 1.12 C ATOM 960 CG TYR A 62 -1.937 -6.177 -8.657 1.00 30.23 C ATOM 961 CD1 TYR A 62 -1.846 -6.914 -9.831 1.00 13.50 C ATOM 962 CD2 TYR A 62 -0.973 -6.383 -7.677 1.00 43.23 C ATOM 963 CE1 TYR A 62 -0.827 -7.826 -10.025 1.00 21.14 C ATOM 964 CE2 TYR A 62 0.051 -7.293 -7.863 1.00 74.51 C ATOM 965 CZ TYR A 62 0.119 -8.012 -9.038 1.00 25.31 C ATOM 966 OH TYR A 62 1.136 -8.920 -9.226 1.00 45.23 O ATOM 0 H TYR A 62 -4.481 -3.199 -8.111 1.00 74.44 H new ATOM 0 HA TYR A 62 -1.905 -3.528 -9.203 1.00 12.52 H new ATOM 0 HB2 TYR A 62 -3.084 -4.894 -7.398 1.00 1.12 H new ATOM 0 HB3 TYR A 62 -4.006 -5.661 -8.676 1.00 1.12 H new ATOM 0 HD1 TYR A 62 -2.585 -6.771 -10.606 1.00 13.50 H new ATOM 0 HD2 TYR A 62 -1.025 -5.823 -6.755 1.00 43.23 H new ATOM 0 HE1 TYR A 62 -0.771 -8.390 -10.944 1.00 21.14 H new ATOM 0 HE2 TYR A 62 0.793 -7.440 -7.093 1.00 74.51 H new ATOM 0 HH TYR A 62 1.717 -8.929 -8.437 1.00 45.23 H new ATOM 976 N GLY A 63 -2.149 -4.022 -11.603 1.00 32.42 N ATOM 977 CA GLY A 63 -2.272 -4.307 -13.020 1.00 1.32 C ATOM 978 C GLY A 63 -2.925 -3.174 -13.785 1.00 45.23 C ATOM 979 O GLY A 63 -3.163 -3.284 -14.988 1.00 3.51 O ATOM 0 H GLY A 63 -1.247 -3.639 -11.320 1.00 32.42 H new ATOM 0 HA2 GLY A 63 -1.283 -4.499 -13.436 1.00 1.32 H new ATOM 0 HA3 GLY A 63 -2.857 -5.217 -13.155 1.00 1.32 H new