USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 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= -2.44 K(o=-2.4,f=-5.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.54 K(o=-1.5,f=-2.6!) USER MOD Single : A 36 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.2) USER MOD Single : A 39 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 83:sc= 0.206 USER MOD Single : A 50 ASN : amide:sc= -3.08 K(o=-3.1,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.839 K(o=-0.84,f=-2.4) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.046) 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 -3.442 -10.441 -5.637 1.00 24.13 N ATOM 29 CA GLU A 3 -3.913 -9.419 -4.710 1.00 11.23 C ATOM 30 C GLU A 3 -3.838 -9.915 -3.268 1.00 65.34 C ATOM 31 O GLU A 3 -3.780 -9.120 -2.330 1.00 30.50 O ATOM 32 CB GLU A 3 -5.350 -9.015 -5.047 1.00 32.33 C ATOM 33 CG GLU A 3 -5.577 -8.754 -6.526 1.00 42.05 C ATOM 34 CD GLU A 3 -6.183 -9.944 -7.243 1.00 74.33 C ATOM 35 OE1 GLU A 3 -7.069 -10.602 -6.659 1.00 72.11 O ATOM 36 OE2 GLU A 3 -5.771 -10.218 -8.390 1.00 62.21 O ATOM 0 HA GLU A 3 -3.265 -8.548 -4.811 1.00 11.23 H new ATOM 0 HB2 GLU A 3 -6.027 -9.803 -4.718 1.00 32.33 H new ATOM 0 HB3 GLU A 3 -5.608 -8.118 -4.484 1.00 32.33 H new ATOM 0 HG2 GLU A 3 -6.234 -7.892 -6.642 1.00 42.05 H new ATOM 0 HG3 GLU A 3 -4.627 -8.497 -6.995 1.00 42.05 H new ATOM 43 N ALA A 4 -3.839 -11.233 -3.102 1.00 21.12 N ATOM 44 CA ALA A 4 -3.770 -11.836 -1.776 1.00 65.11 C ATOM 45 C ALA A 4 -2.582 -11.293 -0.989 1.00 44.51 C ATOM 46 O ALA A 4 -2.593 -11.285 0.243 1.00 50.41 O ATOM 47 CB ALA A 4 -3.681 -13.351 -1.890 1.00 2.42 C ATOM 0 H ALA A 4 -3.887 -11.904 -3.869 1.00 21.12 H new ATOM 0 HA ALA A 4 -4.681 -11.576 -1.237 1.00 65.11 H new ATOM 0 HB1 ALA A 4 -3.630 -13.789 -0.893 1.00 2.42 H new ATOM 0 HB2 ALA A 4 -4.562 -13.729 -2.408 1.00 2.42 H new ATOM 0 HB3 ALA A 4 -2.787 -13.622 -2.451 1.00 2.42 H new ATOM 53 N LEU A 5 -1.559 -10.840 -1.705 1.00 10.30 N ATOM 54 CA LEU A 5 -0.363 -10.294 -1.072 1.00 74.34 C ATOM 55 C LEU A 5 -0.700 -9.058 -0.245 1.00 34.10 C ATOM 56 O LEU A 5 -0.169 -8.867 0.849 1.00 51.42 O ATOM 57 CB LEU A 5 0.683 -9.943 -2.131 1.00 34.51 C ATOM 58 CG LEU A 5 0.790 -10.906 -3.315 1.00 13.24 C ATOM 59 CD1 LEU A 5 1.966 -10.532 -4.203 1.00 50.13 C ATOM 60 CD2 LEU A 5 0.924 -12.340 -2.825 1.00 33.31 C ATOM 0 H LEU A 5 -1.533 -10.840 -2.725 1.00 10.30 H new ATOM 0 HA LEU A 5 0.044 -11.054 -0.405 1.00 74.34 H new ATOM 0 HB2 LEU A 5 0.461 -8.948 -2.517 1.00 34.51 H new ATOM 0 HB3 LEU A 5 1.657 -9.886 -1.646 1.00 34.51 H new ATOM 0 HG LEU A 5 -0.123 -10.829 -3.905 1.00 13.24 H new ATOM 0 HD11 LEU A 5 2.026 -11.228 -5.040 1.00 50.13 H new ATOM 0 HD12 LEU A 5 1.828 -9.520 -4.583 1.00 50.13 H new ATOM 0 HD13 LEU A 5 2.889 -10.580 -3.624 1.00 50.13 H new ATOM 0 HD21 LEU A 5 0.999 -13.011 -3.680 1.00 33.31 H new ATOM 0 HD22 LEU A 5 1.820 -12.433 -2.211 1.00 33.31 H new ATOM 0 HD23 LEU A 5 0.049 -12.605 -2.231 1.00 33.31 H new ATOM 72 N PHE A 6 -1.588 -8.223 -0.773 1.00 74.43 N ATOM 73 CA PHE A 6 -1.998 -7.005 -0.083 1.00 34.25 C ATOM 74 C PHE A 6 -2.643 -7.332 1.261 1.00 32.23 C ATOM 75 O PHE A 6 -2.310 -6.735 2.285 1.00 50.25 O ATOM 76 CB PHE A 6 -2.974 -6.207 -0.949 1.00 51.04 C ATOM 77 CG PHE A 6 -3.787 -5.210 -0.173 1.00 24.04 C ATOM 78 CD1 PHE A 6 -4.906 -5.613 0.539 1.00 44.21 C ATOM 79 CD2 PHE A 6 -3.433 -3.871 -0.156 1.00 3.34 C ATOM 80 CE1 PHE A 6 -5.655 -4.698 1.255 1.00 13.41 C ATOM 81 CE2 PHE A 6 -4.178 -2.952 0.559 1.00 53.24 C ATOM 82 CZ PHE A 6 -5.291 -3.366 1.264 1.00 51.13 C ATOM 0 H PHE A 6 -2.038 -8.367 -1.677 1.00 74.43 H new ATOM 0 HA PHE A 6 -1.108 -6.403 0.098 1.00 34.25 H new ATOM 0 HB2 PHE A 6 -2.415 -5.683 -1.724 1.00 51.04 H new ATOM 0 HB3 PHE A 6 -3.648 -6.899 -1.454 1.00 51.04 H new ATOM 0 HD1 PHE A 6 -5.196 -6.653 0.534 1.00 44.21 H new ATOM 0 HD2 PHE A 6 -2.565 -3.541 -0.708 1.00 3.34 H new ATOM 0 HE1 PHE A 6 -6.524 -5.025 1.807 1.00 13.41 H new ATOM 0 HE2 PHE A 6 -3.890 -1.911 0.566 1.00 53.24 H new ATOM 0 HZ PHE A 6 -5.876 -2.649 1.821 1.00 51.13 H new ATOM 92 N LYS A 7 -3.568 -8.286 1.249 1.00 2.34 N ATOM 93 CA LYS A 7 -4.261 -8.695 2.466 1.00 24.23 C ATOM 94 C LYS A 7 -3.349 -9.537 3.354 1.00 14.20 C ATOM 95 O LYS A 7 -3.516 -9.572 4.572 1.00 3.34 O ATOM 96 CB LYS A 7 -5.523 -9.487 2.117 1.00 61.34 C ATOM 97 CG LYS A 7 -6.619 -8.640 1.492 1.00 23.32 C ATOM 98 CD LYS A 7 -7.916 -9.418 1.357 1.00 71.12 C ATOM 99 CE LYS A 7 -9.127 -8.501 1.434 1.00 42.31 C ATOM 100 NZ LYS A 7 -10.272 -9.152 2.128 1.00 34.23 N ATOM 0 H LYS A 7 -3.855 -8.791 0.410 1.00 2.34 H new ATOM 0 HA LYS A 7 -4.544 -7.796 3.014 1.00 24.23 H new ATOM 0 HB2 LYS A 7 -5.259 -10.290 1.429 1.00 61.34 H new ATOM 0 HB3 LYS A 7 -5.909 -9.956 3.022 1.00 61.34 H new ATOM 0 HG2 LYS A 7 -6.788 -7.753 2.103 1.00 23.32 H new ATOM 0 HG3 LYS A 7 -6.297 -8.294 0.510 1.00 23.32 H new ATOM 0 HD2 LYS A 7 -7.923 -9.953 0.407 1.00 71.12 H new ATOM 0 HD3 LYS A 7 -7.975 -10.168 2.146 1.00 71.12 H new ATOM 0 HE2 LYS A 7 -8.856 -7.585 1.960 1.00 42.31 H new ATOM 0 HE3 LYS A 7 -9.429 -8.213 0.427 1.00 42.31 H new ATOM 0 HZ1 LYS A 7 -11.078 -8.495 2.160 1.00 34.23 H new ATOM 0 HZ2 LYS A 7 -10.547 -10.012 1.612 1.00 34.23 H new ATOM 0 HZ3 LYS A 7 -9.992 -9.404 3.097 1.00 34.23 H new ATOM 114 N GLU A 8 -2.386 -10.212 2.734 1.00 12.44 N ATOM 115 CA GLU A 8 -1.449 -11.052 3.470 1.00 30.23 C ATOM 116 C GLU A 8 -0.560 -10.210 4.381 1.00 53.35 C ATOM 117 O GLU A 8 -0.293 -10.583 5.523 1.00 22.30 O ATOM 118 CB GLU A 8 -0.583 -11.860 2.501 1.00 55.24 C ATOM 119 CG GLU A 8 0.261 -12.925 3.180 1.00 41.13 C ATOM 120 CD GLU A 8 -0.297 -14.322 2.989 1.00 44.14 C ATOM 121 OE1 GLU A 8 -1.119 -14.753 3.823 1.00 3.14 O ATOM 122 OE2 GLU A 8 0.089 -14.983 2.002 1.00 32.24 O ATOM 0 H GLU A 8 -2.235 -10.193 1.725 1.00 12.44 H new ATOM 0 HA GLU A 8 -2.027 -11.738 4.089 1.00 30.23 H new ATOM 0 HB2 GLU A 8 -1.227 -12.336 1.762 1.00 55.24 H new ATOM 0 HB3 GLU A 8 0.074 -11.179 1.960 1.00 55.24 H new ATOM 0 HG2 GLU A 8 1.276 -12.886 2.784 1.00 41.13 H new ATOM 0 HG3 GLU A 8 0.326 -12.707 4.246 1.00 41.13 H new ATOM 129 N ILE A 9 -0.108 -9.071 3.866 1.00 4.12 N ATOM 130 CA ILE A 9 0.749 -8.175 4.632 1.00 72.12 C ATOM 131 C ILE A 9 -0.017 -7.532 5.783 1.00 63.35 C ATOM 132 O ILE A 9 0.576 -7.095 6.770 1.00 52.13 O ATOM 133 CB ILE A 9 1.342 -7.066 3.742 1.00 10.32 C ATOM 134 CG1 ILE A 9 2.241 -7.674 2.663 1.00 2.23 C ATOM 135 CG2 ILE A 9 2.119 -6.068 4.586 1.00 4.54 C ATOM 136 CD1 ILE A 9 3.471 -8.358 3.218 1.00 74.35 C ATOM 0 H ILE A 9 -0.321 -8.747 2.922 1.00 4.12 H new ATOM 0 HA ILE A 9 1.561 -8.781 5.033 1.00 72.12 H new ATOM 0 HB ILE A 9 0.524 -6.538 3.252 1.00 10.32 H new ATOM 0 HG12 ILE A 9 1.664 -8.395 2.084 1.00 2.23 H new ATOM 0 HG13 ILE A 9 2.551 -6.888 1.974 1.00 2.23 H new ATOM 0 HG21 ILE A 9 2.532 -5.291 3.943 1.00 4.54 H new ATOM 0 HG22 ILE A 9 1.452 -5.615 5.320 1.00 4.54 H new ATOM 0 HG23 ILE A 9 2.931 -6.581 5.101 1.00 4.54 H new ATOM 0 HD11 ILE A 9 4.062 -8.766 2.398 1.00 74.35 H new ATOM 0 HD12 ILE A 9 4.070 -7.636 3.773 1.00 74.35 H new ATOM 0 HD13 ILE A 9 3.169 -9.166 3.884 1.00 74.35 H new ATOM 148 N ASP A 10 -1.338 -7.478 5.650 1.00 33.24 N ATOM 149 CA ASP A 10 -2.186 -6.892 6.681 1.00 73.24 C ATOM 150 C ASP A 10 -2.437 -7.887 7.809 1.00 13.52 C ATOM 151 O ASP A 10 -3.503 -8.499 7.886 1.00 24.41 O ATOM 152 CB ASP A 10 -3.518 -6.438 6.079 1.00 64.11 C ATOM 153 CG ASP A 10 -3.547 -4.950 5.795 1.00 45.33 C ATOM 154 OD1 ASP A 10 -3.188 -4.166 6.699 1.00 61.12 O ATOM 155 OD2 ASP A 10 -3.931 -4.568 4.669 1.00 42.54 O ATOM 0 H ASP A 10 -1.844 -7.833 4.839 1.00 33.24 H new ATOM 0 HA ASP A 10 -1.668 -6.026 7.093 1.00 73.24 H new ATOM 0 HB2 ASP A 10 -3.701 -6.985 5.154 1.00 64.11 H new ATOM 0 HB3 ASP A 10 -4.328 -6.690 6.764 1.00 64.11 H new ATOM 160 N VAL A 11 -1.449 -8.043 8.684 1.00 74.31 N ATOM 161 CA VAL A 11 -1.562 -8.964 9.809 1.00 3.31 C ATOM 162 C VAL A 11 -2.724 -8.580 10.719 1.00 0.34 C ATOM 163 O VAL A 11 -3.198 -9.392 11.512 1.00 53.45 O ATOM 164 CB VAL A 11 -0.265 -8.999 10.639 1.00 65.21 C ATOM 165 CG1 VAL A 11 -0.323 -10.112 11.674 1.00 5.11 C ATOM 166 CG2 VAL A 11 0.943 -9.169 9.730 1.00 4.10 C ATOM 0 H VAL A 11 -0.561 -7.543 8.636 1.00 74.31 H new ATOM 0 HA VAL A 11 -1.743 -9.954 9.390 1.00 3.31 H new ATOM 0 HB VAL A 11 -0.165 -8.050 11.166 1.00 65.21 H new ATOM 0 HG11 VAL A 11 0.602 -10.121 12.251 1.00 5.11 H new ATOM 0 HG12 VAL A 11 -1.166 -9.943 12.343 1.00 5.11 H new ATOM 0 HG13 VAL A 11 -0.446 -11.071 11.171 1.00 5.11 H new ATOM 0 HG21 VAL A 11 1.851 -9.192 10.332 1.00 4.10 H new ATOM 0 HG22 VAL A 11 0.852 -10.103 9.175 1.00 4.10 H new ATOM 0 HG23 VAL A 11 0.992 -8.334 9.031 1.00 4.10 H new ATOM 176 N ASN A 12 -3.177 -7.336 10.597 1.00 2.24 N ATOM 177 CA ASN A 12 -4.283 -6.843 11.410 1.00 63.43 C ATOM 178 C ASN A 12 -5.624 -7.249 10.806 1.00 32.21 C ATOM 179 O ASN A 12 -6.682 -6.948 11.357 1.00 72.31 O ATOM 180 CB ASN A 12 -4.210 -5.320 11.539 1.00 70.22 C ATOM 181 CG ASN A 12 -3.877 -4.644 10.222 1.00 21.43 C ATOM 182 OD1 ASN A 12 -4.134 -5.189 9.149 1.00 22.12 O ATOM 183 ND2 ASN A 12 -3.302 -3.449 10.300 1.00 21.13 N ATOM 0 H ASN A 12 -2.796 -6.652 9.944 1.00 2.24 H new ATOM 0 HA ASN A 12 -4.200 -7.289 12.401 1.00 63.43 H new ATOM 0 HB2 ASN A 12 -5.164 -4.943 11.907 1.00 70.22 H new ATOM 0 HB3 ASN A 12 -3.456 -5.056 12.281 1.00 70.22 H new ATOM 0 HD21 ASN A 12 -3.055 -2.945 9.448 1.00 21.13 H new ATOM 0 HD22 ASN A 12 -3.107 -3.035 11.212 1.00 21.13 H new ATOM 190 N GLY A 13 -5.571 -7.937 9.670 1.00 75.14 N ATOM 191 CA GLY A 13 -6.787 -8.375 9.009 1.00 52.11 C ATOM 192 C GLY A 13 -7.795 -7.253 8.848 1.00 21.11 C ATOM 193 O GLY A 13 -8.980 -7.430 9.132 1.00 71.04 O ATOM 0 H GLY A 13 -4.707 -8.199 9.195 1.00 75.14 H new ATOM 0 HA2 GLY A 13 -6.538 -8.780 8.028 1.00 52.11 H new ATOM 0 HA3 GLY A 13 -7.238 -9.185 9.583 1.00 52.11 H new ATOM 197 N ASP A 14 -7.324 -6.097 8.395 1.00 64.21 N ATOM 198 CA ASP A 14 -8.192 -4.942 8.197 1.00 25.15 C ATOM 199 C ASP A 14 -8.458 -4.710 6.713 1.00 23.20 C ATOM 200 O ASP A 14 -9.383 -3.989 6.344 1.00 63.44 O ATOM 201 CB ASP A 14 -7.564 -3.693 8.818 1.00 61.24 C ATOM 202 CG ASP A 14 -6.153 -3.447 8.321 1.00 61.15 C ATOM 203 OD1 ASP A 14 -5.728 -4.140 7.373 1.00 74.55 O ATOM 204 OD2 ASP A 14 -5.472 -2.561 8.880 1.00 32.55 O ATOM 0 H ASP A 14 -6.345 -5.934 8.158 1.00 64.21 H new ATOM 0 HA ASP A 14 -9.143 -5.144 8.690 1.00 25.15 H new ATOM 0 HB2 ASP A 14 -8.183 -2.826 8.589 1.00 61.24 H new ATOM 0 HB3 ASP A 14 -7.551 -3.797 9.903 1.00 61.24 H new ATOM 209 N GLY A 15 -7.637 -5.325 5.866 1.00 1.21 N ATOM 210 CA GLY A 15 -7.799 -5.171 4.433 1.00 62.03 C ATOM 211 C GLY A 15 -7.431 -3.781 3.954 1.00 53.14 C ATOM 212 O GLY A 15 -7.754 -3.400 2.829 1.00 44.25 O ATOM 0 H GLY A 15 -6.863 -5.927 6.148 1.00 1.21 H new ATOM 0 HA2 GLY A 15 -7.178 -5.905 3.919 1.00 62.03 H new ATOM 0 HA3 GLY A 15 -8.833 -5.383 4.163 1.00 62.03 H new ATOM 216 N ALA A 16 -6.757 -3.020 4.810 1.00 21.10 N ATOM 217 CA ALA A 16 -6.346 -1.665 4.467 1.00 22.14 C ATOM 218 C ALA A 16 -4.902 -1.407 4.887 1.00 14.32 C ATOM 219 O ALA A 16 -4.492 -1.769 5.990 1.00 31.50 O ATOM 220 CB ALA A 16 -7.276 -0.651 5.117 1.00 23.34 C ATOM 0 H ALA A 16 -6.484 -3.319 5.746 1.00 21.10 H new ATOM 0 HA ALA A 16 -6.407 -1.556 3.384 1.00 22.14 H new ATOM 0 HB1 ALA A 16 -6.957 0.357 4.852 1.00 23.34 H new ATOM 0 HB2 ALA A 16 -8.295 -0.814 4.765 1.00 23.34 H new ATOM 0 HB3 ALA A 16 -7.243 -0.769 6.200 1.00 23.34 H new ATOM 226 N VAL A 17 -4.136 -0.778 4.001 1.00 52.21 N ATOM 227 CA VAL A 17 -2.739 -0.471 4.281 1.00 3.10 C ATOM 228 C VAL A 17 -2.464 1.022 4.135 1.00 73.44 C ATOM 229 O VAL A 17 -2.686 1.603 3.072 1.00 33.00 O ATOM 230 CB VAL A 17 -1.795 -1.249 3.344 1.00 13.33 C ATOM 231 CG1 VAL A 17 -1.980 -2.748 3.527 1.00 25.31 C ATOM 232 CG2 VAL A 17 -2.031 -0.847 1.897 1.00 31.20 C ATOM 0 H VAL A 17 -4.460 -0.471 3.084 1.00 52.21 H new ATOM 0 HA VAL A 17 -2.549 -0.774 5.311 1.00 3.10 H new ATOM 0 HB VAL A 17 -0.766 -0.999 3.603 1.00 13.33 H new ATOM 0 HG11 VAL A 17 -1.306 -3.282 2.858 1.00 25.31 H new ATOM 0 HG12 VAL A 17 -1.757 -3.019 4.559 1.00 25.31 H new ATOM 0 HG13 VAL A 17 -3.010 -3.018 3.296 1.00 25.31 H new ATOM 0 HG21 VAL A 17 -1.356 -1.406 1.249 1.00 31.20 H new ATOM 0 HG22 VAL A 17 -3.063 -1.067 1.622 1.00 31.20 H new ATOM 0 HG23 VAL A 17 -1.844 0.221 1.781 1.00 31.20 H new ATOM 242 N SER A 18 -1.979 1.637 5.209 1.00 74.50 N ATOM 243 CA SER A 18 -1.677 3.063 5.201 1.00 2.30 C ATOM 244 C SER A 18 -0.259 3.315 4.696 1.00 11.05 C ATOM 245 O SER A 18 0.487 2.378 4.414 1.00 61.14 O ATOM 246 CB SER A 18 -1.842 3.648 6.606 1.00 74.53 C ATOM 247 OG SER A 18 -1.864 2.624 7.585 1.00 43.14 O ATOM 0 H SER A 18 -1.787 1.170 6.095 1.00 74.50 H new ATOM 0 HA SER A 18 -2.377 3.554 4.526 1.00 2.30 H new ATOM 0 HB2 SER A 18 -1.024 4.337 6.815 1.00 74.53 H new ATOM 0 HB3 SER A 18 -2.766 4.224 6.657 1.00 74.53 H new ATOM 0 HG SER A 18 -1.969 3.023 8.474 1.00 43.14 H new ATOM 253 N TYR A 19 0.104 4.588 4.587 1.00 23.32 N ATOM 254 CA TYR A 19 1.432 4.965 4.115 1.00 60.01 C ATOM 255 C TYR A 19 2.515 4.174 4.842 1.00 34.41 C ATOM 256 O TYR A 19 3.518 3.783 4.246 1.00 14.10 O ATOM 257 CB TYR A 19 1.659 6.464 4.316 1.00 64.23 C ATOM 258 CG TYR A 19 1.819 6.864 5.764 1.00 14.53 C ATOM 259 CD1 TYR A 19 0.707 7.107 6.565 1.00 65.41 C ATOM 260 CD2 TYR A 19 3.078 7.001 6.335 1.00 61.24 C ATOM 261 CE1 TYR A 19 0.848 7.473 7.889 1.00 15.41 C ATOM 262 CE2 TYR A 19 3.228 7.366 7.659 1.00 55.11 C ATOM 263 CZ TYR A 19 2.110 7.601 8.432 1.00 74.03 C ATOM 264 OH TYR A 19 2.254 7.965 9.750 1.00 3.41 O ATOM 0 H TYR A 19 -0.501 5.376 4.819 1.00 23.32 H new ATOM 0 HA TYR A 19 1.491 4.733 3.052 1.00 60.01 H new ATOM 0 HB2 TYR A 19 2.550 6.765 3.764 1.00 64.23 H new ATOM 0 HB3 TYR A 19 0.819 7.011 3.888 1.00 64.23 H new ATOM 0 HD1 TYR A 19 -0.283 7.008 6.144 1.00 65.41 H new ATOM 0 HD2 TYR A 19 3.956 6.819 5.733 1.00 61.24 H new ATOM 0 HE1 TYR A 19 -0.025 7.658 8.497 1.00 15.41 H new ATOM 0 HE2 TYR A 19 4.215 7.467 8.086 1.00 55.11 H new ATOM 0 HH TYR A 19 3.207 8.009 9.975 1.00 3.41 H new ATOM 274 N GLU A 20 2.301 3.939 6.133 1.00 61.12 N ATOM 275 CA GLU A 20 3.259 3.193 6.941 1.00 44.12 C ATOM 276 C GLU A 20 3.261 1.717 6.557 1.00 64.50 C ATOM 277 O GLU A 20 4.316 1.085 6.492 1.00 35.54 O ATOM 278 CB GLU A 20 2.931 3.344 8.429 1.00 64.32 C ATOM 279 CG GLU A 20 3.878 4.273 9.169 1.00 73.11 C ATOM 280 CD GLU A 20 4.171 3.803 10.581 1.00 42.41 C ATOM 281 OE1 GLU A 20 3.210 3.621 11.358 1.00 50.03 O ATOM 282 OE2 GLU A 20 5.361 3.617 10.908 1.00 4.13 O ATOM 0 H GLU A 20 1.474 4.254 6.641 1.00 61.12 H new ATOM 0 HA GLU A 20 4.252 3.601 6.752 1.00 44.12 H new ATOM 0 HB2 GLU A 20 1.913 3.719 8.532 1.00 64.32 H new ATOM 0 HB3 GLU A 20 2.957 2.361 8.900 1.00 64.32 H new ATOM 0 HG2 GLU A 20 4.813 4.350 8.614 1.00 73.11 H new ATOM 0 HG3 GLU A 20 3.446 5.273 9.205 1.00 73.11 H new ATOM 289 N GLU A 21 2.074 1.174 6.305 1.00 44.30 N ATOM 290 CA GLU A 21 1.941 -0.228 5.929 1.00 61.42 C ATOM 291 C GLU A 21 2.653 -0.507 4.609 1.00 75.34 C ATOM 292 O GLU A 21 3.442 -1.447 4.502 1.00 51.44 O ATOM 293 CB GLU A 21 0.463 -0.610 5.815 1.00 43.41 C ATOM 294 CG GLU A 21 -0.238 -0.734 7.157 1.00 22.33 C ATOM 295 CD GLU A 21 -1.247 -1.867 7.186 1.00 62.14 C ATOM 296 OE1 GLU A 21 -0.869 -3.006 6.842 1.00 13.23 O ATOM 297 OE2 GLU A 21 -2.413 -1.612 7.551 1.00 2.25 O ATOM 0 H GLU A 21 1.192 1.683 6.354 1.00 44.30 H new ATOM 0 HA GLU A 21 2.406 -0.833 6.708 1.00 61.42 H new ATOM 0 HB2 GLU A 21 -0.052 0.139 5.213 1.00 43.41 H new ATOM 0 HB3 GLU A 21 0.381 -1.558 5.283 1.00 43.41 H new ATOM 0 HG2 GLU A 21 0.506 -0.895 7.938 1.00 22.33 H new ATOM 0 HG3 GLU A 21 -0.744 0.204 7.387 1.00 22.33 H new ATOM 304 N VAL A 22 2.367 0.315 3.603 1.00 21.45 N ATOM 305 CA VAL A 22 2.980 0.158 2.290 1.00 71.43 C ATOM 306 C VAL A 22 4.497 0.288 2.371 1.00 54.43 C ATOM 307 O VAL A 22 5.232 -0.472 1.741 1.00 14.10 O ATOM 308 CB VAL A 22 2.439 1.197 1.289 1.00 0.23 C ATOM 309 CG1 VAL A 22 2.589 2.604 1.848 1.00 63.43 C ATOM 310 CG2 VAL A 22 3.148 1.067 -0.050 1.00 1.22 C ATOM 0 H VAL A 22 1.715 1.096 3.673 1.00 21.45 H new ATOM 0 HA VAL A 22 2.723 -0.841 1.939 1.00 71.43 H new ATOM 0 HB VAL A 22 1.378 1.006 1.131 1.00 0.23 H new ATOM 0 HG11 VAL A 22 2.202 3.325 1.128 1.00 63.43 H new ATOM 0 HG12 VAL A 22 2.030 2.687 2.780 1.00 63.43 H new ATOM 0 HG13 VAL A 22 3.643 2.810 2.037 1.00 63.43 H new ATOM 0 HG21 VAL A 22 2.753 1.809 -0.744 1.00 1.22 H new ATOM 0 HG22 VAL A 22 4.217 1.231 0.087 1.00 1.22 H new ATOM 0 HG23 VAL A 22 2.983 0.068 -0.454 1.00 1.22 H new ATOM 320 N LYS A 23 4.960 1.259 3.151 1.00 54.13 N ATOM 321 CA LYS A 23 6.390 1.491 3.318 1.00 43.32 C ATOM 322 C LYS A 23 7.077 0.258 3.896 1.00 42.22 C ATOM 323 O LYS A 23 8.115 -0.176 3.397 1.00 2.55 O ATOM 324 CB LYS A 23 6.630 2.696 4.230 1.00 13.33 C ATOM 325 CG LYS A 23 7.815 3.549 3.812 1.00 0.12 C ATOM 326 CD LYS A 23 9.134 2.891 4.184 1.00 54.41 C ATOM 327 CE LYS A 23 9.449 3.070 5.661 1.00 12.32 C ATOM 328 NZ LYS A 23 10.037 4.409 5.943 1.00 23.02 N ATOM 0 H LYS A 23 4.365 1.898 3.678 1.00 54.13 H new ATOM 0 HA LYS A 23 6.816 1.696 2.336 1.00 43.32 H new ATOM 0 HB2 LYS A 23 5.733 3.316 4.243 1.00 13.33 H new ATOM 0 HB3 LYS A 23 6.788 2.344 5.249 1.00 13.33 H new ATOM 0 HG2 LYS A 23 7.782 3.717 2.736 1.00 0.12 H new ATOM 0 HG3 LYS A 23 7.747 4.527 4.289 1.00 0.12 H new ATOM 0 HD2 LYS A 23 9.091 1.828 3.946 1.00 54.41 H new ATOM 0 HD3 LYS A 23 9.937 3.320 3.585 1.00 54.41 H new ATOM 0 HE2 LYS A 23 8.537 2.943 6.245 1.00 12.32 H new ATOM 0 HE3 LYS A 23 10.143 2.293 5.981 1.00 12.32 H new ATOM 0 HZ1 LYS A 23 10.238 4.493 6.960 1.00 23.02 H new ATOM 0 HZ2 LYS A 23 10.920 4.521 5.405 1.00 23.02 H new ATOM 0 HZ3 LYS A 23 9.364 5.150 5.661 1.00 23.02 H new ATOM 342 N ALA A 24 6.489 -0.303 4.948 1.00 25.11 N ATOM 343 CA ALA A 24 7.044 -1.487 5.591 1.00 31.34 C ATOM 344 C ALA A 24 7.042 -2.679 4.640 1.00 20.11 C ATOM 345 O ALA A 24 7.983 -3.473 4.622 1.00 32.45 O ATOM 346 CB ALA A 24 6.262 -1.817 6.854 1.00 41.50 C ATOM 0 H ALA A 24 5.629 0.044 5.372 1.00 25.11 H new ATOM 0 HA ALA A 24 8.078 -1.272 5.862 1.00 31.34 H new ATOM 0 HB1 ALA A 24 6.687 -2.704 7.324 1.00 41.50 H new ATOM 0 HB2 ALA A 24 6.318 -0.977 7.546 1.00 41.50 H new ATOM 0 HB3 ALA A 24 5.220 -2.007 6.597 1.00 41.50 H new ATOM 352 N PHE A 25 5.979 -2.800 3.851 1.00 41.41 N ATOM 353 CA PHE A 25 5.854 -3.897 2.898 1.00 12.30 C ATOM 354 C PHE A 25 7.100 -4.003 2.025 1.00 25.13 C ATOM 355 O PHE A 25 7.694 -5.074 1.897 1.00 32.05 O ATOM 356 CB PHE A 25 4.617 -3.699 2.020 1.00 51.43 C ATOM 357 CG PHE A 25 4.313 -4.877 1.139 1.00 3.12 C ATOM 358 CD1 PHE A 25 4.966 -6.084 1.325 1.00 60.23 C ATOM 359 CD2 PHE A 25 3.374 -4.776 0.125 1.00 21.13 C ATOM 360 CE1 PHE A 25 4.688 -7.171 0.516 1.00 63.31 C ATOM 361 CE2 PHE A 25 3.091 -5.859 -0.686 1.00 31.32 C ATOM 362 CZ PHE A 25 3.750 -7.057 -0.491 1.00 23.00 C ATOM 0 H PHE A 25 5.192 -2.152 3.853 1.00 41.41 H new ATOM 0 HA PHE A 25 5.747 -4.824 3.461 1.00 12.30 H new ATOM 0 HB2 PHE A 25 3.756 -3.501 2.658 1.00 51.43 H new ATOM 0 HB3 PHE A 25 4.761 -2.817 1.397 1.00 51.43 H new ATOM 0 HD1 PHE A 25 5.701 -6.178 2.111 1.00 60.23 H new ATOM 0 HD2 PHE A 25 2.858 -3.841 -0.033 1.00 21.13 H new ATOM 0 HE1 PHE A 25 5.204 -8.107 0.672 1.00 63.31 H new ATOM 0 HE2 PHE A 25 2.355 -5.768 -1.471 1.00 31.32 H new ATOM 0 HZ PHE A 25 3.532 -7.904 -1.125 1.00 23.00 H new ATOM 372 N VAL A 26 7.492 -2.884 1.424 1.00 52.34 N ATOM 373 CA VAL A 26 8.668 -2.849 0.562 1.00 11.51 C ATOM 374 C VAL A 26 9.949 -3.007 1.374 1.00 52.44 C ATOM 375 O VAL A 26 10.949 -3.524 0.878 1.00 5.33 O ATOM 376 CB VAL A 26 8.739 -1.535 -0.238 1.00 13.23 C ATOM 377 CG1 VAL A 26 9.621 -0.522 0.477 1.00 55.44 C ATOM 378 CG2 VAL A 26 9.248 -1.797 -1.647 1.00 51.23 C ATOM 0 H VAL A 26 7.012 -1.989 1.518 1.00 52.34 H new ATOM 0 HA VAL A 26 8.576 -3.684 -0.133 1.00 11.51 H new ATOM 0 HB VAL A 26 7.734 -1.119 -0.311 1.00 13.23 H new ATOM 0 HG11 VAL A 26 9.659 0.400 -0.103 1.00 55.44 H new ATOM 0 HG12 VAL A 26 9.209 -0.313 1.464 1.00 55.44 H new ATOM 0 HG13 VAL A 26 10.628 -0.926 0.583 1.00 55.44 H new ATOM 0 HG21 VAL A 26 9.292 -0.858 -2.198 1.00 51.23 H new ATOM 0 HG22 VAL A 26 10.244 -2.236 -1.598 1.00 51.23 H new ATOM 0 HG23 VAL A 26 8.573 -2.485 -2.156 1.00 51.23 H new ATOM 388 N SER A 27 9.909 -2.559 2.625 1.00 5.12 N ATOM 389 CA SER A 27 11.068 -2.647 3.506 1.00 61.33 C ATOM 390 C SER A 27 11.447 -4.103 3.760 1.00 5.33 C ATOM 391 O SER A 27 12.586 -4.408 4.115 1.00 14.25 O ATOM 392 CB SER A 27 10.781 -1.943 4.833 1.00 22.44 C ATOM 393 OG SER A 27 11.145 -0.575 4.774 1.00 52.32 O ATOM 0 H SER A 27 9.087 -2.132 3.051 1.00 5.12 H new ATOM 0 HA SER A 27 11.906 -2.152 3.015 1.00 61.33 H new ATOM 0 HB2 SER A 27 9.721 -2.030 5.073 1.00 22.44 H new ATOM 0 HB3 SER A 27 11.331 -2.435 5.635 1.00 22.44 H new ATOM 0 HG SER A 27 10.950 -0.147 5.634 1.00 52.32 H new ATOM 399 N LYS A 28 10.484 -5.000 3.576 1.00 41.41 N ATOM 400 CA LYS A 28 10.713 -6.425 3.784 1.00 41.34 C ATOM 401 C LYS A 28 11.586 -7.002 2.674 1.00 15.42 C ATOM 402 O LYS A 28 12.021 -8.152 2.747 1.00 43.24 O ATOM 403 CB LYS A 28 9.380 -7.174 3.841 1.00 23.14 C ATOM 404 CG LYS A 28 8.740 -7.171 5.219 1.00 25.31 C ATOM 405 CD LYS A 28 7.350 -7.783 5.188 1.00 12.22 C ATOM 406 CE LYS A 28 6.665 -7.678 6.543 1.00 4.10 C ATOM 407 NZ LYS A 28 5.978 -8.945 6.917 1.00 71.41 N ATOM 0 H LYS A 28 9.536 -4.765 3.283 1.00 41.41 H new ATOM 0 HA LYS A 28 11.233 -6.550 4.734 1.00 41.34 H new ATOM 0 HB2 LYS A 28 8.689 -6.724 3.128 1.00 23.14 H new ATOM 0 HB3 LYS A 28 9.538 -8.205 3.525 1.00 23.14 H new ATOM 0 HG2 LYS A 28 9.368 -7.727 5.914 1.00 25.31 H new ATOM 0 HG3 LYS A 28 8.680 -6.148 5.592 1.00 25.31 H new ATOM 0 HD2 LYS A 28 6.746 -7.279 4.434 1.00 12.22 H new ATOM 0 HD3 LYS A 28 7.419 -8.830 4.894 1.00 12.22 H new ATOM 0 HE2 LYS A 28 7.403 -7.427 7.305 1.00 4.10 H new ATOM 0 HE3 LYS A 28 5.940 -6.864 6.521 1.00 4.10 H new ATOM 0 HZ1 LYS A 28 5.524 -8.833 7.846 1.00 71.41 H new ATOM 0 HZ2 LYS A 28 5.256 -9.172 6.204 1.00 71.41 H new ATOM 0 HZ3 LYS A 28 6.674 -9.717 6.963 1.00 71.41 H new ATOM 421 N LYS A 29 11.840 -6.197 1.648 1.00 72.31 N ATOM 422 CA LYS A 29 12.663 -6.626 0.523 1.00 35.42 C ATOM 423 C LYS A 29 14.028 -5.949 0.558 1.00 30.23 C ATOM 424 O LYS A 29 14.992 -6.443 -0.026 1.00 21.35 O ATOM 425 CB LYS A 29 11.959 -6.313 -0.800 1.00 23.14 C ATOM 426 CG LYS A 29 10.473 -6.624 -0.787 1.00 54.23 C ATOM 427 CD LYS A 29 10.206 -8.057 -0.359 1.00 4.55 C ATOM 428 CE LYS A 29 10.851 -9.053 -1.309 1.00 61.14 C ATOM 429 NZ LYS A 29 10.103 -10.340 -1.357 1.00 51.15 N ATOM 0 H LYS A 29 11.487 -5.243 1.572 1.00 72.31 H new ATOM 0 HA LYS A 29 12.810 -7.703 0.603 1.00 35.42 H new ATOM 0 HB2 LYS A 29 12.099 -5.258 -1.035 1.00 23.14 H new ATOM 0 HB3 LYS A 29 12.434 -6.883 -1.598 1.00 23.14 H new ATOM 0 HG2 LYS A 29 9.963 -5.940 -0.109 1.00 54.23 H new ATOM 0 HG3 LYS A 29 10.057 -6.457 -1.780 1.00 54.23 H new ATOM 0 HD2 LYS A 29 10.589 -8.214 0.649 1.00 4.55 H new ATOM 0 HD3 LYS A 29 9.131 -8.232 -0.322 1.00 4.55 H new ATOM 0 HE2 LYS A 29 10.897 -8.623 -2.309 1.00 61.14 H new ATOM 0 HE3 LYS A 29 11.878 -9.241 -0.995 1.00 61.14 H new ATOM 0 HZ1 LYS A 29 10.575 -10.992 -2.016 1.00 51.15 H new ATOM 0 HZ2 LYS A 29 10.080 -10.764 -0.408 1.00 51.15 H new ATOM 0 HZ3 LYS A 29 9.131 -10.164 -1.681 1.00 51.15 H new ATOM 443 N ARG A 30 14.103 -4.815 1.248 1.00 62.43 N ATOM 444 CA ARG A 30 15.352 -4.070 1.360 1.00 60.54 C ATOM 445 C ARG A 30 15.178 -2.849 2.258 1.00 31.21 C ATOM 446 O ARG A 30 14.125 -2.659 2.866 1.00 43.40 O ATOM 447 CB ARG A 30 15.835 -3.634 -0.025 1.00 3.53 C ATOM 448 CG ARG A 30 14.782 -2.889 -0.830 1.00 64.33 C ATOM 449 CD ARG A 30 14.687 -3.423 -2.250 1.00 63.20 C ATOM 450 NE ARG A 30 16.002 -3.579 -2.867 1.00 31.34 N ATOM 451 CZ ARG A 30 16.228 -4.334 -3.935 1.00 75.22 C ATOM 452 NH1 ARG A 30 15.230 -4.999 -4.504 1.00 24.41 N ATOM 453 NH2 ARG A 30 17.452 -4.426 -4.439 1.00 22.04 N ATOM 0 H ARG A 30 13.314 -4.392 1.738 1.00 62.43 H new ATOM 0 HA ARG A 30 16.099 -4.725 1.809 1.00 60.54 H new ATOM 0 HB2 ARG A 30 16.712 -2.996 0.089 1.00 3.53 H new ATOM 0 HB3 ARG A 30 16.152 -4.514 -0.584 1.00 3.53 H new ATOM 0 HG2 ARG A 30 13.813 -2.983 -0.339 1.00 64.33 H new ATOM 0 HG3 ARG A 30 15.025 -1.827 -0.855 1.00 64.33 H new ATOM 0 HD2 ARG A 30 14.174 -4.385 -2.242 1.00 63.20 H new ATOM 0 HD3 ARG A 30 14.082 -2.745 -2.852 1.00 63.20 H new ATOM 0 HE ARG A 30 16.790 -3.080 -2.454 1.00 31.34 H new ATOM 0 HH11 ARG A 30 14.287 -4.930 -4.121 1.00 24.41 H new ATOM 0 HH12 ARG A 30 15.406 -5.579 -5.325 1.00 24.41 H new ATOM 0 HH21 ARG A 30 18.222 -3.916 -4.006 1.00 22.04 H new ATOM 0 HH22 ARG A 30 17.623 -5.007 -5.260 1.00 22.04 H new ATOM 467 N ALA A 31 16.218 -2.026 2.337 1.00 23.01 N ATOM 468 CA ALA A 31 16.180 -0.823 3.160 1.00 60.50 C ATOM 469 C ALA A 31 16.264 0.433 2.300 1.00 52.22 C ATOM 470 O ALA A 31 17.355 0.888 1.953 1.00 75.41 O ATOM 471 CB ALA A 31 17.310 -0.844 4.178 1.00 72.10 C ATOM 0 H ALA A 31 17.098 -2.170 1.841 1.00 23.01 H new ATOM 0 HA ALA A 31 15.228 -0.806 3.691 1.00 60.50 H new ATOM 0 HB1 ALA A 31 17.269 0.060 4.785 1.00 72.10 H new ATOM 0 HB2 ALA A 31 17.205 -1.718 4.821 1.00 72.10 H new ATOM 0 HB3 ALA A 31 18.267 -0.889 3.658 1.00 72.10 H new ATOM 477 N ILE A 32 15.107 0.989 1.958 1.00 53.14 N ATOM 478 CA ILE A 32 15.050 2.193 1.139 1.00 1.31 C ATOM 479 C ILE A 32 14.074 3.210 1.721 1.00 3.34 C ATOM 480 O ILE A 32 12.859 3.075 1.577 1.00 71.14 O ATOM 481 CB ILE A 32 14.634 1.870 -0.308 1.00 40.02 C ATOM 482 CG1 ILE A 32 14.399 3.162 -1.094 1.00 75.41 C ATOM 483 CG2 ILE A 32 13.385 1.002 -0.319 1.00 63.13 C ATOM 484 CD1 ILE A 32 15.591 4.093 -1.098 1.00 51.35 C ATOM 0 H ILE A 32 14.196 0.625 2.236 1.00 53.14 H new ATOM 0 HA ILE A 32 16.054 2.618 1.134 1.00 1.31 H new ATOM 0 HB ILE A 32 15.441 1.316 -0.788 1.00 40.02 H new ATOM 0 HG12 ILE A 32 14.142 2.910 -2.123 1.00 75.41 H new ATOM 0 HG13 ILE A 32 13.542 3.685 -0.670 1.00 75.41 H new ATOM 0 HG21 ILE A 32 13.104 0.782 -1.349 1.00 63.13 H new ATOM 0 HG22 ILE A 32 13.585 0.070 0.209 1.00 63.13 H new ATOM 0 HG23 ILE A 32 12.570 1.531 0.175 1.00 63.13 H new ATOM 0 HD11 ILE A 32 15.352 4.987 -1.674 1.00 51.35 H new ATOM 0 HD12 ILE A 32 15.836 4.375 -0.074 1.00 51.35 H new ATOM 0 HD13 ILE A 32 16.445 3.588 -1.549 1.00 51.35 H new ATOM 496 N LYS A 33 14.614 4.229 2.380 1.00 42.43 N ATOM 497 CA LYS A 33 13.793 5.272 2.983 1.00 11.42 C ATOM 498 C LYS A 33 13.392 6.316 1.946 1.00 40.51 C ATOM 499 O LYS A 33 14.207 7.140 1.533 1.00 3.53 O ATOM 500 CB LYS A 33 14.547 5.944 4.133 1.00 3.14 C ATOM 501 CG LYS A 33 15.928 6.445 3.745 1.00 74.25 C ATOM 502 CD LYS A 33 17.002 5.887 4.662 1.00 4.24 C ATOM 503 CE LYS A 33 18.113 6.899 4.900 1.00 73.23 C ATOM 504 NZ LYS A 33 19.380 6.242 5.323 1.00 44.44 N ATOM 0 H LYS A 33 15.618 4.355 2.510 1.00 42.43 H new ATOM 0 HA LYS A 33 12.888 4.806 3.373 1.00 11.42 H new ATOM 0 HB2 LYS A 33 13.956 6.782 4.503 1.00 3.14 H new ATOM 0 HB3 LYS A 33 14.645 5.235 4.955 1.00 3.14 H new ATOM 0 HG2 LYS A 33 16.143 6.160 2.715 1.00 74.25 H new ATOM 0 HG3 LYS A 33 15.945 7.534 3.784 1.00 74.25 H new ATOM 0 HD2 LYS A 33 16.556 5.603 5.615 1.00 4.24 H new ATOM 0 HD3 LYS A 33 17.421 4.981 4.224 1.00 4.24 H new ATOM 0 HE2 LYS A 33 18.287 7.469 3.987 1.00 73.23 H new ATOM 0 HE3 LYS A 33 17.799 7.610 5.665 1.00 73.23 H new ATOM 0 HZ1 LYS A 33 20.112 6.965 5.475 1.00 44.44 H new ATOM 0 HZ2 LYS A 33 19.221 5.719 6.208 1.00 44.44 H new ATOM 0 HZ3 LYS A 33 19.693 5.583 4.582 1.00 44.44 H new ATOM 518 N ASN A 34 12.130 6.277 1.530 1.00 52.21 N ATOM 519 CA ASN A 34 11.621 7.221 0.542 1.00 31.11 C ATOM 520 C ASN A 34 10.418 7.985 1.088 1.00 30.30 C ATOM 521 O ASN A 34 9.298 7.477 1.090 1.00 52.15 O ATOM 522 CB ASN A 34 11.231 6.486 -0.742 1.00 63.41 C ATOM 523 CG ASN A 34 12.407 6.302 -1.682 1.00 60.12 C ATOM 524 OD1 ASN A 34 12.669 5.196 -2.158 1.00 5.51 O ATOM 525 ND2 ASN A 34 13.122 7.387 -1.954 1.00 63.14 N ATOM 0 H ASN A 34 11.441 5.602 1.862 1.00 52.21 H new ATOM 0 HA ASN A 34 12.413 7.936 0.318 1.00 31.11 H new ATOM 0 HB2 ASN A 34 10.816 5.511 -0.488 1.00 63.41 H new ATOM 0 HB3 ASN A 34 10.445 7.043 -1.252 1.00 63.41 H new ATOM 0 HD21 ASN A 34 13.925 7.325 -2.580 1.00 63.14 H new ATOM 0 HD22 ASN A 34 12.868 8.283 -1.537 1.00 63.14 H new ATOM 532 N GLU A 35 10.661 9.207 1.551 1.00 20.44 N ATOM 533 CA GLU A 35 9.598 10.040 2.100 1.00 22.20 C ATOM 534 C GLU A 35 8.732 10.620 0.986 1.00 54.54 C ATOM 535 O GLU A 35 7.504 10.636 1.085 1.00 24.21 O ATOM 536 CB GLU A 35 10.191 11.172 2.942 1.00 13.31 C ATOM 537 CG GLU A 35 9.710 11.174 4.384 1.00 24.42 C ATOM 538 CD GLU A 35 8.203 11.058 4.496 1.00 13.51 C ATOM 539 OE1 GLU A 35 7.495 11.788 3.771 1.00 20.20 O ATOM 540 OE2 GLU A 35 7.730 10.238 5.311 1.00 72.14 O ATOM 0 H GLU A 35 11.584 9.642 1.557 1.00 20.44 H new ATOM 0 HA GLU A 35 8.971 9.414 2.735 1.00 22.20 H new ATOM 0 HB2 GLU A 35 11.278 11.091 2.930 1.00 13.31 H new ATOM 0 HB3 GLU A 35 9.937 12.127 2.482 1.00 13.31 H new ATOM 0 HG2 GLU A 35 10.175 10.346 4.919 1.00 24.42 H new ATOM 0 HG3 GLU A 35 10.037 12.093 4.871 1.00 24.42 H new ATOM 547 N GLN A 36 9.379 11.096 -0.072 1.00 44.35 N ATOM 548 CA GLN A 36 8.668 11.679 -1.204 1.00 71.20 C ATOM 549 C GLN A 36 8.003 10.595 -2.045 1.00 74.11 C ATOM 550 O GLN A 36 6.810 10.668 -2.343 1.00 12.54 O ATOM 551 CB GLN A 36 9.628 12.496 -2.071 1.00 55.53 C ATOM 552 CG GLN A 36 8.976 13.703 -2.728 1.00 61.00 C ATOM 553 CD GLN A 36 9.051 13.654 -4.241 1.00 33.22 C ATOM 554 OE1 GLN A 36 8.815 12.611 -4.853 1.00 20.11 O ATOM 555 NE2 GLN A 36 9.380 14.784 -4.855 1.00 51.33 N ATOM 0 H GLN A 36 10.394 11.090 -0.170 1.00 44.35 H new ATOM 0 HA GLN A 36 7.893 12.338 -0.813 1.00 71.20 H new ATOM 0 HB2 GLN A 36 10.462 12.834 -1.456 1.00 55.53 H new ATOM 0 HB3 GLN A 36 10.043 11.851 -2.845 1.00 55.53 H new ATOM 0 HG2 GLN A 36 7.932 13.759 -2.421 1.00 61.00 H new ATOM 0 HG3 GLN A 36 9.462 14.612 -2.373 1.00 61.00 H new ATOM 0 HE21 GLN A 36 9.567 15.625 -4.309 1.00 51.33 H new ATOM 0 HE22 GLN A 36 9.445 14.811 -5.873 1.00 51.33 H new ATOM 564 N LEU A 37 8.781 9.588 -2.428 1.00 4.32 N ATOM 565 CA LEU A 37 8.268 8.488 -3.236 1.00 24.52 C ATOM 566 C LEU A 37 7.077 7.823 -2.555 1.00 53.01 C ATOM 567 O LEU A 37 6.024 7.635 -3.167 1.00 21.20 O ATOM 568 CB LEU A 37 9.369 7.456 -3.485 1.00 33.32 C ATOM 569 CG LEU A 37 9.401 6.831 -4.881 1.00 42.31 C ATOM 570 CD1 LEU A 37 9.729 7.883 -5.929 1.00 45.42 C ATOM 571 CD2 LEU A 37 10.408 5.692 -4.933 1.00 11.21 C ATOM 0 H LEU A 37 9.770 9.511 -2.191 1.00 4.32 H new ATOM 0 HA LEU A 37 7.937 8.895 -4.192 1.00 24.52 H new ATOM 0 HB2 LEU A 37 10.333 7.930 -3.299 1.00 33.32 H new ATOM 0 HB3 LEU A 37 9.261 6.656 -2.753 1.00 33.32 H new ATOM 0 HG LEU A 37 8.413 6.426 -5.099 1.00 42.31 H new ATOM 0 HD11 LEU A 37 9.747 7.420 -6.916 1.00 45.42 H new ATOM 0 HD12 LEU A 37 8.970 8.665 -5.909 1.00 45.42 H new ATOM 0 HD13 LEU A 37 10.705 8.319 -5.714 1.00 45.42 H new ATOM 0 HD21 LEU A 37 10.417 5.260 -5.934 1.00 11.21 H new ATOM 0 HD22 LEU A 37 11.401 6.073 -4.693 1.00 11.21 H new ATOM 0 HD23 LEU A 37 10.129 4.926 -4.209 1.00 11.21 H new ATOM 583 N LEU A 38 7.247 7.471 -1.286 1.00 30.41 N ATOM 584 CA LEU A 38 6.185 6.828 -0.521 1.00 54.30 C ATOM 585 C LEU A 38 4.943 7.713 -0.463 1.00 25.11 C ATOM 586 O LEU A 38 3.819 7.230 -0.602 1.00 44.34 O ATOM 587 CB LEU A 38 6.668 6.514 0.896 1.00 14.22 C ATOM 588 CG LEU A 38 5.783 5.573 1.715 1.00 51.13 C ATOM 589 CD1 LEU A 38 4.512 6.283 2.153 1.00 34.22 C ATOM 590 CD2 LEU A 38 5.448 4.324 0.912 1.00 23.33 C ATOM 0 H LEU A 38 8.111 7.620 -0.765 1.00 30.41 H new ATOM 0 HA LEU A 38 5.922 5.897 -1.023 1.00 54.30 H new ATOM 0 HB2 LEU A 38 7.664 6.077 0.830 1.00 14.22 H new ATOM 0 HB3 LEU A 38 6.767 7.453 1.441 1.00 14.22 H new ATOM 0 HG LEU A 38 6.333 5.272 2.607 1.00 51.13 H new ATOM 0 HD11 LEU A 38 3.895 5.598 2.734 1.00 34.22 H new ATOM 0 HD12 LEU A 38 4.770 7.147 2.765 1.00 34.22 H new ATOM 0 HD13 LEU A 38 3.958 6.613 1.274 1.00 34.22 H new ATOM 0 HD21 LEU A 38 4.818 3.665 1.510 1.00 23.33 H new ATOM 0 HD22 LEU A 38 4.917 4.607 0.003 1.00 23.33 H new ATOM 0 HD23 LEU A 38 6.369 3.804 0.648 1.00 23.33 H new ATOM 602 N GLN A 39 5.156 9.008 -0.259 1.00 50.25 N ATOM 603 CA GLN A 39 4.054 9.961 -0.184 1.00 60.33 C ATOM 604 C GLN A 39 3.282 10.003 -1.499 1.00 71.11 C ATOM 605 O GLN A 39 2.059 9.854 -1.518 1.00 43.20 O ATOM 606 CB GLN A 39 4.580 11.356 0.156 1.00 32.31 C ATOM 607 CG GLN A 39 4.502 11.690 1.637 1.00 44.24 C ATOM 608 CD GLN A 39 3.077 11.862 2.123 1.00 20.32 C ATOM 609 OE1 GLN A 39 2.316 12.663 1.580 1.00 32.43 O ATOM 610 NE2 GLN A 39 2.707 11.107 3.151 1.00 20.33 N ATOM 0 H GLN A 39 6.081 9.422 -0.143 1.00 50.25 H new ATOM 0 HA GLN A 39 3.377 9.634 0.605 1.00 60.33 H new ATOM 0 HB2 GLN A 39 5.617 11.434 -0.172 1.00 32.31 H new ATOM 0 HB3 GLN A 39 4.011 12.097 -0.406 1.00 32.31 H new ATOM 0 HG2 GLN A 39 4.984 10.898 2.210 1.00 44.24 H new ATOM 0 HG3 GLN A 39 5.060 12.606 1.829 1.00 44.24 H new ATOM 0 HE21 GLN A 39 3.371 10.456 3.571 1.00 20.33 H new ATOM 0 HE22 GLN A 39 1.759 11.178 3.521 1.00 20.33 H new ATOM 619 N LEU A 40 4.002 10.206 -2.596 1.00 64.31 N ATOM 620 CA LEU A 40 3.385 10.268 -3.917 1.00 15.44 C ATOM 621 C LEU A 40 2.731 8.937 -4.276 1.00 20.34 C ATOM 622 O LEU A 40 1.561 8.891 -4.655 1.00 22.25 O ATOM 623 CB LEU A 40 4.427 10.639 -4.973 1.00 21.52 C ATOM 624 CG LEU A 40 3.968 11.618 -6.054 1.00 11.31 C ATOM 625 CD1 LEU A 40 5.058 11.808 -7.099 1.00 12.42 C ATOM 626 CD2 LEU A 40 2.683 11.129 -6.705 1.00 14.11 C ATOM 0 H LEU A 40 5.014 10.331 -2.598 1.00 64.31 H new ATOM 0 HA LEU A 40 2.613 11.037 -3.893 1.00 15.44 H new ATOM 0 HB2 LEU A 40 5.292 11.068 -4.466 1.00 21.52 H new ATOM 0 HB3 LEU A 40 4.764 9.724 -5.459 1.00 21.52 H new ATOM 0 HG LEU A 40 3.770 12.582 -5.585 1.00 11.31 H new ATOM 0 HD11 LEU A 40 4.714 12.508 -7.861 1.00 12.42 H new ATOM 0 HD12 LEU A 40 5.955 12.203 -6.622 1.00 12.42 H new ATOM 0 HD13 LEU A 40 5.287 10.849 -7.564 1.00 12.42 H new ATOM 0 HD21 LEU A 40 2.371 11.838 -7.472 1.00 14.11 H new ATOM 0 HD22 LEU A 40 2.854 10.154 -7.161 1.00 14.11 H new ATOM 0 HD23 LEU A 40 1.902 11.044 -5.950 1.00 14.11 H new ATOM 638 N ILE A 41 3.495 7.857 -4.151 1.00 65.23 N ATOM 639 CA ILE A 41 2.991 6.525 -4.460 1.00 54.31 C ATOM 640 C ILE A 41 1.794 6.174 -3.581 1.00 65.33 C ATOM 641 O ILE A 41 0.889 5.456 -4.005 1.00 33.24 O ATOM 642 CB ILE A 41 4.081 5.453 -4.276 1.00 11.14 C ATOM 643 CG1 ILE A 41 4.894 5.295 -5.562 1.00 21.24 C ATOM 644 CG2 ILE A 41 3.456 4.126 -3.872 1.00 12.11 C ATOM 645 CD1 ILE A 41 5.529 6.582 -6.037 1.00 44.33 C ATOM 0 H ILE A 41 4.465 7.879 -3.838 1.00 65.23 H new ATOM 0 HA ILE A 41 2.681 6.539 -5.505 1.00 54.31 H new ATOM 0 HB ILE A 41 4.754 5.773 -3.480 1.00 11.14 H new ATOM 0 HG12 ILE A 41 5.675 4.552 -5.399 1.00 21.24 H new ATOM 0 HG13 ILE A 41 4.245 4.908 -6.347 1.00 21.24 H new ATOM 0 HG21 ILE A 41 4.239 3.378 -3.746 1.00 12.11 H new ATOM 0 HG22 ILE A 41 2.917 4.249 -2.933 1.00 12.11 H new ATOM 0 HG23 ILE A 41 2.764 3.799 -4.648 1.00 12.11 H new ATOM 0 HD11 ILE A 41 6.089 6.395 -6.953 1.00 44.33 H new ATOM 0 HD12 ILE A 41 4.752 7.321 -6.232 1.00 44.33 H new ATOM 0 HD13 ILE A 41 6.204 6.960 -5.269 1.00 44.33 H new ATOM 657 N PHE A 42 1.797 6.687 -2.355 1.00 61.41 N ATOM 658 CA PHE A 42 0.712 6.429 -1.417 1.00 31.24 C ATOM 659 C PHE A 42 -0.610 6.976 -1.949 1.00 1.15 C ATOM 660 O PHE A 42 -1.614 6.265 -2.002 1.00 64.52 O ATOM 661 CB PHE A 42 1.025 7.055 -0.056 1.00 22.55 C ATOM 662 CG PHE A 42 -0.153 7.088 0.875 1.00 25.02 C ATOM 663 CD1 PHE A 42 -0.669 5.914 1.401 1.00 43.43 C ATOM 664 CD2 PHE A 42 -0.742 8.292 1.224 1.00 12.43 C ATOM 665 CE1 PHE A 42 -1.754 5.943 2.257 1.00 10.34 C ATOM 666 CE2 PHE A 42 -1.827 8.326 2.081 1.00 22.51 C ATOM 667 CZ PHE A 42 -2.333 7.149 2.599 1.00 45.23 C ATOM 0 H PHE A 42 2.539 7.284 -1.989 1.00 61.41 H new ATOM 0 HA PHE A 42 0.617 5.350 -1.299 1.00 31.24 H new ATOM 0 HB2 PHE A 42 1.834 6.496 0.414 1.00 22.55 H new ATOM 0 HB3 PHE A 42 1.386 8.072 -0.208 1.00 22.55 H new ATOM 0 HD1 PHE A 42 -0.219 4.968 1.140 1.00 43.43 H new ATOM 0 HD2 PHE A 42 -0.350 9.215 0.822 1.00 12.43 H new ATOM 0 HE1 PHE A 42 -2.149 5.022 2.659 1.00 10.34 H new ATOM 0 HE2 PHE A 42 -2.278 9.271 2.345 1.00 22.51 H new ATOM 0 HZ PHE A 42 -3.179 7.172 3.270 1.00 45.23 H new ATOM 677 N LYS A 43 -0.602 8.246 -2.340 1.00 63.42 N ATOM 678 CA LYS A 43 -1.798 8.890 -2.869 1.00 45.21 C ATOM 679 C LYS A 43 -2.143 8.348 -4.251 1.00 60.32 C ATOM 680 O LYS A 43 -3.308 8.324 -4.646 1.00 75.11 O ATOM 681 CB LYS A 43 -1.596 10.406 -2.940 1.00 31.12 C ATOM 682 CG LYS A 43 -2.834 11.203 -2.569 1.00 2.42 C ATOM 683 CD LYS A 43 -2.865 12.548 -3.276 1.00 23.54 C ATOM 684 CE LYS A 43 -3.605 13.592 -2.455 1.00 1.32 C ATOM 685 NZ LYS A 43 -2.871 14.887 -2.411 1.00 64.20 N ATOM 0 H LYS A 43 0.219 8.849 -2.300 1.00 63.42 H new ATOM 0 HA LYS A 43 -2.626 8.670 -2.196 1.00 45.21 H new ATOM 0 HB2 LYS A 43 -0.780 10.687 -2.274 1.00 31.12 H new ATOM 0 HB3 LYS A 43 -1.290 10.676 -3.951 1.00 31.12 H new ATOM 0 HG2 LYS A 43 -3.726 10.633 -2.830 1.00 2.42 H new ATOM 0 HG3 LYS A 43 -2.858 11.357 -1.490 1.00 2.42 H new ATOM 0 HD2 LYS A 43 -1.846 12.886 -3.462 1.00 23.54 H new ATOM 0 HD3 LYS A 43 -3.347 12.439 -4.247 1.00 23.54 H new ATOM 0 HE2 LYS A 43 -4.597 13.751 -2.879 1.00 1.32 H new ATOM 0 HE3 LYS A 43 -3.748 13.221 -1.440 1.00 1.32 H new ATOM 0 HZ1 LYS A 43 -3.409 15.572 -1.842 1.00 64.20 H new ATOM 0 HZ2 LYS A 43 -1.934 14.741 -1.983 1.00 64.20 H new ATOM 0 HZ3 LYS A 43 -2.757 15.254 -3.377 1.00 64.20 H new ATOM 699 N SER A 44 -1.122 7.911 -4.983 1.00 11.41 N ATOM 700 CA SER A 44 -1.318 7.370 -6.323 1.00 34.41 C ATOM 701 C SER A 44 -1.971 5.992 -6.262 1.00 41.41 C ATOM 702 O SER A 44 -2.959 5.731 -6.949 1.00 64.04 O ATOM 703 CB SER A 44 0.020 7.281 -7.060 1.00 13.25 C ATOM 704 OG SER A 44 0.468 8.565 -7.459 1.00 3.02 O ATOM 0 H SER A 44 -0.151 7.921 -4.670 1.00 11.41 H new ATOM 0 HA SER A 44 -1.981 8.043 -6.867 1.00 34.41 H new ATOM 0 HB2 SER A 44 0.765 6.817 -6.413 1.00 13.25 H new ATOM 0 HB3 SER A 44 -0.085 6.641 -7.936 1.00 13.25 H new ATOM 0 HG SER A 44 0.918 9.003 -6.707 1.00 3.02 H new ATOM 710 N ILE A 45 -1.411 5.115 -5.436 1.00 43.02 N ATOM 711 CA ILE A 45 -1.939 3.765 -5.285 1.00 60.43 C ATOM 712 C ILE A 45 -3.324 3.784 -4.649 1.00 54.12 C ATOM 713 O ILE A 45 -4.216 3.038 -5.054 1.00 20.41 O ATOM 714 CB ILE A 45 -1.006 2.889 -4.429 1.00 24.22 C ATOM 715 CG1 ILE A 45 0.312 2.639 -5.165 1.00 5.24 C ATOM 716 CG2 ILE A 45 -1.684 1.571 -4.086 1.00 1.24 C ATOM 717 CD1 ILE A 45 1.268 1.744 -4.406 1.00 44.13 C ATOM 0 H ILE A 45 -0.592 5.315 -4.861 1.00 43.02 H new ATOM 0 HA ILE A 45 -2.008 3.339 -6.286 1.00 60.43 H new ATOM 0 HB ILE A 45 -0.788 3.416 -3.500 1.00 24.22 H new ATOM 0 HG12 ILE A 45 0.098 2.189 -6.134 1.00 5.24 H new ATOM 0 HG13 ILE A 45 0.798 3.595 -5.358 1.00 5.24 H new ATOM 0 HG21 ILE A 45 -1.012 0.963 -3.481 1.00 1.24 H new ATOM 0 HG22 ILE A 45 -2.599 1.767 -3.527 1.00 1.24 H new ATOM 0 HG23 ILE A 45 -1.928 1.037 -5.005 1.00 1.24 H new ATOM 0 HD11 ILE A 45 2.180 1.610 -4.987 1.00 44.13 H new ATOM 0 HD12 ILE A 45 1.512 2.202 -3.448 1.00 44.13 H new ATOM 0 HD13 ILE A 45 0.801 0.774 -4.236 1.00 44.13 H new ATOM 729 N ASP A 46 -3.500 4.644 -3.652 1.00 52.44 N ATOM 730 CA ASP A 46 -4.778 4.763 -2.961 1.00 51.31 C ATOM 731 C ASP A 46 -5.808 5.466 -3.841 1.00 71.32 C ATOM 732 O ASP A 46 -5.609 6.607 -4.256 1.00 53.15 O ATOM 733 CB ASP A 46 -4.604 5.529 -1.649 1.00 50.20 C ATOM 734 CG ASP A 46 -5.587 5.086 -0.585 1.00 14.35 C ATOM 735 OD1 ASP A 46 -6.658 4.555 -0.949 1.00 13.52 O ATOM 736 OD2 ASP A 46 -5.287 5.268 0.614 1.00 21.21 O ATOM 0 H ASP A 46 -2.773 5.269 -3.304 1.00 52.44 H new ATOM 0 HA ASP A 46 -5.138 3.758 -2.741 1.00 51.31 H new ATOM 0 HB2 ASP A 46 -3.588 5.388 -1.282 1.00 50.20 H new ATOM 0 HB3 ASP A 46 -4.731 6.596 -1.835 1.00 50.20 H new ATOM 741 N ALA A 47 -6.908 4.774 -4.123 1.00 42.43 N ATOM 742 CA ALA A 47 -7.968 5.332 -4.953 1.00 12.51 C ATOM 743 C ALA A 47 -8.597 6.555 -4.292 1.00 63.41 C ATOM 744 O ALA A 47 -8.875 7.555 -4.954 1.00 43.34 O ATOM 745 CB ALA A 47 -9.030 4.277 -5.232 1.00 64.35 C ATOM 0 H ALA A 47 -7.087 3.827 -3.789 1.00 42.43 H new ATOM 0 HA ALA A 47 -7.527 5.648 -5.898 1.00 12.51 H new ATOM 0 HB1 ALA A 47 -9.816 4.707 -5.853 1.00 64.35 H new ATOM 0 HB2 ALA A 47 -8.577 3.433 -5.753 1.00 64.35 H new ATOM 0 HB3 ALA A 47 -9.459 3.934 -4.290 1.00 64.35 H new ATOM 751 N ASP A 48 -8.819 6.467 -2.986 1.00 32.41 N ATOM 752 CA ASP A 48 -9.415 7.567 -2.236 1.00 12.04 C ATOM 753 C ASP A 48 -8.381 8.230 -1.331 1.00 72.34 C ATOM 754 O ASP A 48 -8.582 9.348 -0.858 1.00 23.32 O ATOM 755 CB ASP A 48 -10.593 7.064 -1.401 1.00 72.21 C ATOM 756 CG ASP A 48 -10.196 5.955 -0.448 1.00 24.34 C ATOM 757 OD1 ASP A 48 -9.011 5.561 -0.456 1.00 4.51 O ATOM 758 OD2 ASP A 48 -11.070 5.481 0.308 1.00 3.11 O ATOM 0 H ASP A 48 -8.595 5.646 -2.424 1.00 32.41 H new ATOM 0 HA ASP A 48 -9.776 8.308 -2.950 1.00 12.04 H new ATOM 0 HB2 ASP A 48 -11.012 7.894 -0.833 1.00 72.21 H new ATOM 0 HB3 ASP A 48 -11.378 6.704 -2.066 1.00 72.21 H new ATOM 763 N GLY A 49 -7.274 7.533 -1.095 1.00 34.42 N ATOM 764 CA GLY A 49 -6.226 8.070 -0.246 1.00 75.40 C ATOM 765 C GLY A 49 -6.724 8.414 1.143 1.00 22.50 C ATOM 766 O GLY A 49 -6.249 9.364 1.762 1.00 5.30 O ATOM 0 H GLY A 49 -7.084 6.606 -1.476 1.00 34.42 H new ATOM 0 HA2 GLY A 49 -5.417 7.343 -0.169 1.00 75.40 H new ATOM 0 HA3 GLY A 49 -5.809 8.963 -0.710 1.00 75.40 H new ATOM 770 N ASN A 50 -7.687 7.639 1.634 1.00 24.42 N ATOM 771 CA ASN A 50 -8.251 7.868 2.958 1.00 24.14 C ATOM 772 C ASN A 50 -7.396 7.209 4.036 1.00 4.12 C ATOM 773 O ASN A 50 -7.722 6.131 4.529 1.00 21.24 O ATOM 774 CB ASN A 50 -9.681 7.329 3.026 1.00 14.52 C ATOM 775 CG ASN A 50 -9.753 5.843 2.734 1.00 34.13 C ATOM 776 OD1 ASN A 50 -8.854 5.277 2.112 1.00 35.34 O ATOM 777 ND2 ASN A 50 -10.827 5.203 3.183 1.00 4.55 N ATOM 0 H ASN A 50 -8.092 6.848 1.134 1.00 24.42 H new ATOM 0 HA ASN A 50 -8.265 8.943 3.138 1.00 24.14 H new ATOM 0 HB2 ASN A 50 -10.092 7.522 4.017 1.00 14.52 H new ATOM 0 HB3 ASN A 50 -10.304 7.867 2.312 1.00 14.52 H new ATOM 0 HD21 ASN A 50 -10.931 4.202 3.017 1.00 4.55 H new ATOM 0 HD22 ASN A 50 -11.548 5.713 3.694 1.00 4.55 H new ATOM 784 N GLY A 51 -6.297 7.867 4.398 1.00 54.00 N ATOM 785 CA GLY A 51 -5.412 7.331 5.415 1.00 35.32 C ATOM 786 C GLY A 51 -4.688 6.082 4.953 1.00 64.53 C ATOM 787 O GLY A 51 -3.486 5.937 5.174 1.00 44.22 O ATOM 0 H GLY A 51 -6.005 8.762 4.004 1.00 54.00 H new ATOM 0 HA2 GLY A 51 -4.680 8.090 5.692 1.00 35.32 H new ATOM 0 HA3 GLY A 51 -5.989 7.102 6.311 1.00 35.32 H new ATOM 791 N GLU A 52 -5.420 5.177 4.310 1.00 44.21 N ATOM 792 CA GLU A 52 -4.838 3.935 3.818 1.00 34.23 C ATOM 793 C GLU A 52 -5.587 3.433 2.587 1.00 74.34 C ATOM 794 O GLU A 52 -6.689 3.894 2.287 1.00 14.32 O ATOM 795 CB GLU A 52 -4.863 2.866 4.912 1.00 21.13 C ATOM 796 CG GLU A 52 -6.176 2.804 5.675 1.00 72.12 C ATOM 797 CD GLU A 52 -7.382 2.779 4.756 1.00 35.20 C ATOM 798 OE1 GLU A 52 -7.444 1.886 3.884 1.00 5.50 O ATOM 799 OE2 GLU A 52 -8.265 3.649 4.909 1.00 4.44 O ATOM 0 H GLU A 52 -6.416 5.281 4.118 1.00 44.21 H new ATOM 0 HA GLU A 52 -3.804 4.135 3.537 1.00 34.23 H new ATOM 0 HB2 GLU A 52 -4.668 1.893 4.461 1.00 21.13 H new ATOM 0 HB3 GLU A 52 -4.053 3.059 5.615 1.00 21.13 H new ATOM 0 HG2 GLU A 52 -6.185 1.914 6.305 1.00 72.12 H new ATOM 0 HG3 GLU A 52 -6.247 3.665 6.339 1.00 72.12 H new ATOM 806 N ILE A 53 -4.981 2.488 1.876 1.00 61.32 N ATOM 807 CA ILE A 53 -5.589 1.925 0.678 1.00 72.22 C ATOM 808 C ILE A 53 -6.325 0.626 0.993 1.00 52.22 C ATOM 809 O ILE A 53 -5.746 -0.309 1.544 1.00 25.44 O ATOM 810 CB ILE A 53 -4.537 1.653 -0.414 1.00 33.00 C ATOM 811 CG1 ILE A 53 -3.517 2.791 -0.463 1.00 24.42 C ATOM 812 CG2 ILE A 53 -5.211 1.479 -1.767 1.00 1.04 C ATOM 813 CD1 ILE A 53 -2.129 2.378 -0.021 1.00 51.51 C ATOM 0 H ILE A 53 -4.069 2.096 2.110 1.00 61.32 H new ATOM 0 HA ILE A 53 -6.301 2.664 0.309 1.00 72.22 H new ATOM 0 HB ILE A 53 -4.012 0.729 -0.171 1.00 33.00 H new ATOM 0 HG12 ILE A 53 -3.465 3.178 -1.481 1.00 24.42 H new ATOM 0 HG13 ILE A 53 -3.864 3.607 0.171 1.00 24.42 H new ATOM 0 HG21 ILE A 53 -4.455 1.288 -2.528 1.00 1.04 H new ATOM 0 HG22 ILE A 53 -5.903 0.638 -1.723 1.00 1.04 H new ATOM 0 HG23 ILE A 53 -5.759 2.387 -2.020 1.00 1.04 H new ATOM 0 HD11 ILE A 53 -1.458 3.235 -0.081 1.00 51.51 H new ATOM 0 HD12 ILE A 53 -2.167 2.018 1.007 1.00 51.51 H new ATOM 0 HD13 ILE A 53 -1.762 1.583 -0.670 1.00 51.51 H new ATOM 825 N ASP A 54 -7.604 0.577 0.638 1.00 12.41 N ATOM 826 CA ASP A 54 -8.419 -0.608 0.881 1.00 54.51 C ATOM 827 C ASP A 54 -8.101 -1.703 -0.132 1.00 34.02 C ATOM 828 O ASP A 54 -7.558 -1.432 -1.203 1.00 12.14 O ATOM 829 CB ASP A 54 -9.906 -0.252 0.817 1.00 73.31 C ATOM 830 CG ASP A 54 -10.206 1.096 1.440 1.00 53.53 C ATOM 831 OD1 ASP A 54 -9.501 1.479 2.398 1.00 71.31 O ATOM 832 OD2 ASP A 54 -11.145 1.771 0.969 1.00 2.44 O ATOM 0 H ASP A 54 -8.099 1.343 0.181 1.00 12.41 H new ATOM 0 HA ASP A 54 -8.185 -0.982 1.878 1.00 54.51 H new ATOM 0 HB2 ASP A 54 -10.231 -0.249 -0.223 1.00 73.31 H new ATOM 0 HB3 ASP A 54 -10.483 -1.022 1.329 1.00 73.31 H new ATOM 837 N GLN A 55 -8.443 -2.940 0.215 1.00 63.01 N ATOM 838 CA GLN A 55 -8.191 -4.076 -0.664 1.00 0.32 C ATOM 839 C GLN A 55 -8.817 -3.851 -2.036 1.00 75.52 C ATOM 840 O GLN A 55 -8.200 -4.129 -3.063 1.00 42.31 O ATOM 841 CB GLN A 55 -8.742 -5.360 -0.042 1.00 13.12 C ATOM 842 CG GLN A 55 -10.222 -5.286 0.297 1.00 2.41 C ATOM 843 CD GLN A 55 -11.101 -5.878 -0.787 1.00 42.40 C ATOM 844 OE1 GLN A 55 -10.772 -6.910 -1.373 1.00 52.25 O ATOM 845 NE2 GLN A 55 -12.224 -5.225 -1.061 1.00 34.34 N ATOM 0 H GLN A 55 -8.895 -3.181 1.097 1.00 63.01 H new ATOM 0 HA GLN A 55 -7.113 -4.175 -0.789 1.00 0.32 H new ATOM 0 HB2 GLN A 55 -8.577 -6.188 -0.732 1.00 13.12 H new ATOM 0 HB3 GLN A 55 -8.181 -5.584 0.865 1.00 13.12 H new ATOM 0 HG2 GLN A 55 -10.403 -5.813 1.234 1.00 2.41 H new ATOM 0 HG3 GLN A 55 -10.502 -4.245 0.458 1.00 2.41 H new ATOM 0 HE21 GLN A 55 -12.456 -4.373 -0.550 1.00 34.34 H new ATOM 0 HE22 GLN A 55 -12.854 -5.575 -1.783 1.00 34.34 H new ATOM 854 N ASN A 56 -10.048 -3.348 -2.045 1.00 24.10 N ATOM 855 CA ASN A 56 -10.758 -3.087 -3.291 1.00 25.32 C ATOM 856 C ASN A 56 -9.970 -2.126 -4.176 1.00 44.42 C ATOM 857 O ASN A 56 -9.755 -2.389 -5.359 1.00 13.42 O ATOM 858 CB ASN A 56 -12.145 -2.511 -3.001 1.00 44.41 C ATOM 859 CG ASN A 56 -13.213 -3.090 -3.907 1.00 61.32 C ATOM 860 OD1 ASN A 56 -13.005 -3.246 -5.111 1.00 23.44 O ATOM 861 ND2 ASN A 56 -14.366 -3.412 -3.333 1.00 31.35 N ATOM 0 H ASN A 56 -10.574 -3.113 -1.203 1.00 24.10 H new ATOM 0 HA ASN A 56 -10.869 -4.033 -3.822 1.00 25.32 H new ATOM 0 HB2 ASN A 56 -12.408 -2.709 -1.962 1.00 44.41 H new ATOM 0 HB3 ASN A 56 -12.118 -1.428 -3.122 1.00 44.41 H new ATOM 0 HD21 ASN A 56 -15.122 -3.805 -3.893 1.00 31.35 H new ATOM 0 HD22 ASN A 56 -14.496 -3.266 -2.332 1.00 31.35 H new ATOM 868 N GLU A 57 -9.540 -1.011 -3.592 1.00 42.44 N ATOM 869 CA GLU A 57 -8.776 -0.010 -4.327 1.00 75.53 C ATOM 870 C GLU A 57 -7.484 -0.608 -4.877 1.00 21.12 C ATOM 871 O GLU A 57 -7.116 -0.371 -6.027 1.00 54.15 O ATOM 872 CB GLU A 57 -8.456 1.184 -3.426 1.00 61.53 C ATOM 873 CG GLU A 57 -9.687 1.835 -2.818 1.00 20.11 C ATOM 874 CD GLU A 57 -9.376 2.595 -1.544 1.00 1.21 C ATOM 875 OE1 GLU A 57 -8.209 2.560 -1.102 1.00 1.31 O ATOM 876 OE2 GLU A 57 -10.300 3.226 -0.988 1.00 61.55 O ATOM 0 H GLU A 57 -9.708 -0.779 -2.613 1.00 42.44 H new ATOM 0 HA GLU A 57 -9.384 0.331 -5.165 1.00 75.53 H new ATOM 0 HB2 GLU A 57 -7.795 0.856 -2.624 1.00 61.53 H new ATOM 0 HB3 GLU A 57 -7.910 1.929 -4.005 1.00 61.53 H new ATOM 0 HG2 GLU A 57 -10.129 2.517 -3.545 1.00 20.11 H new ATOM 0 HG3 GLU A 57 -10.432 1.068 -2.606 1.00 20.11 H new ATOM 883 N PHE A 58 -6.797 -1.384 -4.045 1.00 34.42 N ATOM 884 CA PHE A 58 -5.546 -2.015 -4.445 1.00 5.42 C ATOM 885 C PHE A 58 -5.766 -2.966 -5.617 1.00 60.31 C ATOM 886 O PHE A 58 -5.008 -2.958 -6.587 1.00 32.21 O ATOM 887 CB PHE A 58 -4.932 -2.774 -3.266 1.00 71.24 C ATOM 888 CG PHE A 58 -3.464 -3.047 -3.427 1.00 73.12 C ATOM 889 CD1 PHE A 58 -2.524 -2.129 -2.987 1.00 31.31 C ATOM 890 CD2 PHE A 58 -3.025 -4.221 -4.017 1.00 3.31 C ATOM 891 CE1 PHE A 58 -1.172 -2.377 -3.135 1.00 11.33 C ATOM 892 CE2 PHE A 58 -1.673 -4.475 -4.166 1.00 55.33 C ATOM 893 CZ PHE A 58 -0.747 -3.551 -3.724 1.00 32.54 C ATOM 0 H PHE A 58 -7.086 -1.591 -3.089 1.00 34.42 H new ATOM 0 HA PHE A 58 -4.858 -1.231 -4.761 1.00 5.42 H new ATOM 0 HB2 PHE A 58 -5.088 -2.199 -2.353 1.00 71.24 H new ATOM 0 HB3 PHE A 58 -5.458 -3.721 -3.140 1.00 71.24 H new ATOM 0 HD1 PHE A 58 -2.851 -1.210 -2.523 1.00 31.31 H new ATOM 0 HD2 PHE A 58 -3.746 -4.946 -4.365 1.00 3.31 H new ATOM 0 HE1 PHE A 58 -0.449 -1.653 -2.790 1.00 11.33 H new ATOM 0 HE2 PHE A 58 -1.343 -5.394 -4.627 1.00 55.33 H new ATOM 0 HZ PHE A 58 0.309 -3.747 -3.839 1.00 32.54 H new ATOM 903 N ALA A 59 -6.809 -3.785 -5.520 1.00 5.51 N ATOM 904 CA ALA A 59 -7.131 -4.740 -6.573 1.00 1.14 C ATOM 905 C ALA A 59 -7.375 -4.032 -7.901 1.00 15.13 C ATOM 906 O ALA A 59 -6.816 -4.412 -8.930 1.00 74.34 O ATOM 907 CB ALA A 59 -8.346 -5.566 -6.181 1.00 13.04 C ATOM 0 H ALA A 59 -7.445 -3.806 -4.723 1.00 5.51 H new ATOM 0 HA ALA A 59 -6.278 -5.406 -6.699 1.00 1.14 H new ATOM 0 HB1 ALA A 59 -8.576 -6.275 -6.976 1.00 13.04 H new ATOM 0 HB2 ALA A 59 -8.135 -6.109 -5.260 1.00 13.04 H new ATOM 0 HB3 ALA A 59 -9.200 -4.906 -6.025 1.00 13.04 H new ATOM 913 N LYS A 60 -8.214 -3.002 -7.872 1.00 15.14 N ATOM 914 CA LYS A 60 -8.534 -2.240 -9.073 1.00 22.35 C ATOM 915 C LYS A 60 -7.288 -1.558 -9.631 1.00 34.11 C ATOM 916 O LYS A 60 -7.184 -1.325 -10.835 1.00 73.32 O ATOM 917 CB LYS A 60 -9.608 -1.194 -8.767 1.00 71.35 C ATOM 918 CG LYS A 60 -10.952 -1.794 -8.391 1.00 61.25 C ATOM 919 CD LYS A 60 -11.692 -2.311 -9.614 1.00 34.34 C ATOM 920 CE LYS A 60 -12.254 -1.172 -10.450 1.00 2.15 C ATOM 921 NZ LYS A 60 -13.670 -1.418 -10.841 1.00 45.24 N ATOM 0 H LYS A 60 -8.685 -2.676 -7.028 1.00 15.14 H new ATOM 0 HA LYS A 60 -8.915 -2.933 -9.823 1.00 22.35 H new ATOM 0 HB2 LYS A 60 -9.262 -0.558 -7.952 1.00 71.35 H new ATOM 0 HB3 LYS A 60 -9.737 -0.552 -9.639 1.00 71.35 H new ATOM 0 HG2 LYS A 60 -10.803 -2.609 -7.683 1.00 61.25 H new ATOM 0 HG3 LYS A 60 -11.560 -1.042 -7.888 1.00 61.25 H new ATOM 0 HD2 LYS A 60 -11.016 -2.911 -10.223 1.00 34.34 H new ATOM 0 HD3 LYS A 60 -12.504 -2.967 -9.299 1.00 34.34 H new ATOM 0 HE2 LYS A 60 -12.189 -0.241 -9.886 1.00 2.15 H new ATOM 0 HE3 LYS A 60 -11.647 -1.045 -11.346 1.00 2.15 H new ATOM 0 HZ1 LYS A 60 -14.017 -0.619 -11.410 1.00 45.24 H new ATOM 0 HZ2 LYS A 60 -13.729 -2.293 -11.400 1.00 45.24 H new ATOM 0 HZ3 LYS A 60 -14.255 -1.514 -9.986 1.00 45.24 H new ATOM 935 N PHE A 61 -6.346 -1.243 -8.749 1.00 0.30 N ATOM 936 CA PHE A 61 -5.108 -0.588 -9.155 1.00 52.51 C ATOM 937 C PHE A 61 -4.161 -1.581 -9.822 1.00 54.12 C ATOM 938 O PHE A 61 -3.438 -1.234 -10.757 1.00 1.42 O ATOM 939 CB PHE A 61 -4.425 0.052 -7.944 1.00 71.53 C ATOM 940 CG PHE A 61 -2.965 0.333 -8.159 1.00 31.31 C ATOM 941 CD1 PHE A 61 -2.542 1.075 -9.251 1.00 0.25 C ATOM 942 CD2 PHE A 61 -2.015 -0.146 -7.271 1.00 12.32 C ATOM 943 CE1 PHE A 61 -1.199 1.336 -9.451 1.00 10.03 C ATOM 944 CE2 PHE A 61 -0.672 0.112 -7.466 1.00 24.03 C ATOM 945 CZ PHE A 61 -0.264 0.853 -8.558 1.00 24.43 C ATOM 0 H PHE A 61 -6.416 -1.430 -7.749 1.00 0.30 H new ATOM 0 HA PHE A 61 -5.357 0.190 -9.877 1.00 52.51 H new ATOM 0 HB2 PHE A 61 -4.934 0.984 -7.700 1.00 71.53 H new ATOM 0 HB3 PHE A 61 -4.537 -0.607 -7.083 1.00 71.53 H new ATOM 0 HD1 PHE A 61 -3.270 1.453 -9.953 1.00 0.25 H new ATOM 0 HD2 PHE A 61 -2.328 -0.728 -6.417 1.00 12.32 H new ATOM 0 HE1 PHE A 61 -0.882 1.917 -10.305 1.00 10.03 H new ATOM 0 HE2 PHE A 61 0.058 -0.265 -6.765 1.00 24.03 H new ATOM 0 HZ PHE A 61 0.786 1.054 -8.713 1.00 24.43 H new ATOM 955 N TYR A 62 -4.171 -2.816 -9.335 1.00 71.54 N ATOM 956 CA TYR A 62 -3.311 -3.860 -9.881 1.00 62.34 C ATOM 957 C TYR A 62 -3.607 -4.091 -11.360 1.00 32.03 C ATOM 958 O TYR A 62 -4.716 -4.474 -11.730 1.00 21.13 O ATOM 959 CB TYR A 62 -3.498 -5.163 -9.103 1.00 23.22 C ATOM 960 CG TYR A 62 -2.753 -6.337 -9.698 1.00 44.21 C ATOM 961 CD1 TYR A 62 -1.410 -6.551 -9.412 1.00 0.13 C ATOM 962 CD2 TYR A 62 -3.392 -7.231 -10.547 1.00 63.31 C ATOM 963 CE1 TYR A 62 -0.726 -7.620 -9.955 1.00 22.33 C ATOM 964 CE2 TYR A 62 -2.716 -8.305 -11.093 1.00 63.01 C ATOM 965 CZ TYR A 62 -1.383 -8.495 -10.795 1.00 34.43 C ATOM 966 OH TYR A 62 -0.705 -9.564 -11.336 1.00 3.30 O ATOM 0 H TYR A 62 -4.765 -3.119 -8.563 1.00 71.54 H new ATOM 0 HA TYR A 62 -2.276 -3.531 -9.783 1.00 62.34 H new ATOM 0 HB2 TYR A 62 -3.164 -5.014 -8.076 1.00 23.22 H new ATOM 0 HB3 TYR A 62 -4.561 -5.402 -9.061 1.00 23.22 H new ATOM 0 HD1 TYR A 62 -0.892 -5.869 -8.753 1.00 0.13 H new ATOM 0 HD2 TYR A 62 -4.435 -7.084 -10.785 1.00 63.31 H new ATOM 0 HE1 TYR A 62 0.318 -7.771 -9.723 1.00 22.33 H new ATOM 0 HE2 TYR A 62 -3.229 -8.992 -11.750 1.00 63.01 H new ATOM 0 HH TYR A 62 -1.312 -10.083 -11.904 1.00 3.30 H new ATOM 976 N GLY A 63 -2.605 -3.856 -12.202 1.00 13.15 N ATOM 977 CA GLY A 63 -2.777 -4.044 -13.630 1.00 61.35 C ATOM 978 C GLY A 63 -3.432 -2.851 -14.297 1.00 60.33 C ATOM 979 O GLY A 63 -3.709 -2.877 -15.497 1.00 3.11 O ATOM 0 H GLY A 63 -1.677 -3.539 -11.920 1.00 13.15 H new ATOM 0 HA2 GLY A 63 -1.805 -4.225 -14.089 1.00 61.35 H new ATOM 0 HA3 GLY A 63 -3.383 -4.933 -13.806 1.00 61.35 H new