USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.22) USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.153 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.32) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0693) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 23 ASN : amide:sc= 0.888 K(o=0.89,f=0.18) USER MOD Single : A 26 ASN : amide:sc= -0.672 K(o=-0.67,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.89) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.897 K(o=-0.9,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 5:sc= 1.11 USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.354 USER MOD Single : A 59 SER OG : rot 180:sc= 0.191 USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= 0.143 (180deg=-0.215!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 35:sc= 0.703 USER MOD Single : A 73 SER OG : rot -91:sc= 0.537 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -45:sc= -0.19 USER MOD Single : A 80 GLN : amide:sc= -0.974 K(o=-0.97,f=-2.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.581 K(o=0.58,f=-0.075) USER MOD Single : A 98 THR OG1 : rot -170:sc= -0.0661 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 113 TYR OH : rot -14:sc= 1.22 USER MOD Single : A 115 ASN : amide:sc= -1.47! K(o=-1.5!,f=0.071) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0.00897 USER MOD Single : A 119 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.960 -4.911 20.947 1.00 42.02 N ATOM 2 CA GLY A 1 20.721 -4.890 20.165 1.00 43.51 C ATOM 3 C GLY A 1 20.918 -5.678 18.886 1.00 50.43 C ATOM 4 O GLY A 1 22.024 -6.136 18.608 1.00 34.34 O ATOM 0 H1 GLY A 1 21.795 -5.409 21.845 1.00 42.02 H new ATOM 0 H2 GLY A 1 22.702 -5.403 20.409 1.00 42.02 H new ATOM 0 H3 GLY A 1 22.264 -3.936 21.142 1.00 42.02 H new ATOM 0 HA2 GLY A 1 19.904 -5.318 20.746 1.00 43.51 H new ATOM 0 HA3 GLY A 1 20.442 -3.862 19.932 1.00 43.51 H new ATOM 8 N SER A 2 19.848 -5.879 18.119 1.00 32.53 N ATOM 9 CA SER A 2 19.879 -6.604 16.857 1.00 23.31 C ATOM 10 C SER A 2 18.960 -5.872 15.886 1.00 70.21 C ATOM 11 O SER A 2 17.901 -5.395 16.299 1.00 15.44 O ATOM 12 CB SER A 2 19.387 -8.046 17.048 1.00 53.11 C ATOM 13 OG SER A 2 20.215 -8.814 17.906 1.00 33.24 O ATOM 0 H SER A 2 18.920 -5.535 18.365 1.00 32.53 H new ATOM 0 HA SER A 2 20.899 -6.646 16.475 1.00 23.31 H new ATOM 0 HB2 SER A 2 18.375 -8.026 17.453 1.00 53.11 H new ATOM 0 HB3 SER A 2 19.331 -8.535 16.075 1.00 53.11 H new ATOM 0 HG SER A 2 19.850 -9.720 17.989 1.00 33.24 H new ATOM 19 N ASN A 3 19.370 -5.761 14.626 1.00 43.42 N ATOM 20 CA ASN A 3 18.645 -5.126 13.531 1.00 52.00 C ATOM 21 C ASN A 3 18.901 -5.974 12.282 1.00 2.23 C ATOM 22 O ASN A 3 19.929 -6.655 12.190 1.00 64.12 O ATOM 23 CB ASN A 3 19.108 -3.675 13.309 1.00 65.21 C ATOM 24 CG ASN A 3 18.700 -2.732 14.433 1.00 41.40 C ATOM 25 OD1 ASN A 3 17.513 -2.526 14.671 1.00 53.44 O ATOM 26 ND2 ASN A 3 19.655 -2.127 15.126 1.00 61.40 N ATOM 0 H ASN A 3 20.270 -6.134 14.325 1.00 43.42 H new ATOM 0 HA ASN A 3 17.581 -5.075 13.762 1.00 52.00 H new ATOM 0 HB2 ASN A 3 20.193 -3.659 13.207 1.00 65.21 H new ATOM 0 HB3 ASN A 3 18.694 -3.309 12.369 1.00 65.21 H new ATOM 0 HD21 ASN A 3 19.409 -1.477 15.873 1.00 61.40 H new ATOM 0 HD22 ASN A 3 20.635 -2.312 14.913 1.00 61.40 H new ATOM 33 N GLN A 4 17.991 -5.929 11.311 1.00 11.22 N ATOM 34 CA GLN A 4 18.086 -6.688 10.068 1.00 44.14 C ATOM 35 C GLN A 4 18.403 -5.778 8.883 1.00 14.04 C ATOM 36 O GLN A 4 18.228 -4.564 8.957 1.00 3.52 O ATOM 37 CB GLN A 4 16.762 -7.437 9.826 1.00 11.00 C ATOM 38 CG GLN A 4 16.817 -8.916 10.230 1.00 54.12 C ATOM 39 CD GLN A 4 17.212 -9.183 11.682 1.00 1.21 C ATOM 40 OE1 GLN A 4 18.083 -10.009 11.954 1.00 53.04 O ATOM 41 NE2 GLN A 4 16.590 -8.519 12.642 1.00 14.12 N ATOM 0 H GLN A 4 17.151 -5.353 11.368 1.00 11.22 H new ATOM 0 HA GLN A 4 18.902 -7.405 10.161 1.00 44.14 H new ATOM 0 HB2 GLN A 4 15.967 -6.944 10.385 1.00 11.00 H new ATOM 0 HB3 GLN A 4 16.500 -7.366 8.770 1.00 11.00 H new ATOM 0 HG2 GLN A 4 15.839 -9.361 10.049 1.00 54.12 H new ATOM 0 HG3 GLN A 4 17.525 -9.427 9.578 1.00 54.12 H new ATOM 0 HE21 GLN A 4 15.870 -7.837 12.406 1.00 14.12 H new ATOM 0 HE22 GLN A 4 16.831 -8.689 13.618 1.00 14.12 H new ATOM 50 N GLN A 5 18.863 -6.396 7.795 1.00 74.01 N ATOM 51 CA GLN A 5 19.221 -5.774 6.521 1.00 1.13 C ATOM 52 C GLN A 5 18.984 -6.742 5.352 1.00 64.55 C ATOM 53 O GLN A 5 18.798 -6.292 4.218 1.00 53.22 O ATOM 54 CB GLN A 5 20.676 -5.269 6.522 1.00 42.32 C ATOM 55 CG GLN A 5 21.730 -6.269 7.032 1.00 0.34 C ATOM 56 CD GLN A 5 22.022 -6.070 8.516 1.00 71.43 C ATOM 57 OE1 GLN A 5 22.673 -5.097 8.880 1.00 64.31 O ATOM 58 NE2 GLN A 5 21.567 -6.947 9.395 1.00 72.00 N ATOM 0 H GLN A 5 19.004 -7.406 7.779 1.00 74.01 H new ATOM 0 HA GLN A 5 18.572 -4.908 6.389 1.00 1.13 H new ATOM 0 HB2 GLN A 5 20.941 -4.977 5.506 1.00 42.32 H new ATOM 0 HB3 GLN A 5 20.729 -4.370 7.136 1.00 42.32 H new ATOM 0 HG2 GLN A 5 21.378 -7.287 6.863 1.00 0.34 H new ATOM 0 HG3 GLN A 5 22.651 -6.151 6.461 1.00 0.34 H new ATOM 0 HE21 GLN A 5 21.027 -7.752 9.079 1.00 72.00 H new ATOM 0 HE22 GLN A 5 21.756 -6.818 10.389 1.00 72.00 H new ATOM 67 N LEU A 6 19.003 -8.061 5.601 1.00 31.25 N ATOM 68 CA LEU A 6 18.773 -9.082 4.583 1.00 22.10 C ATOM 69 C LEU A 6 17.275 -9.069 4.270 1.00 5.35 C ATOM 70 O LEU A 6 16.864 -8.543 3.238 1.00 51.24 O ATOM 71 CB LEU A 6 19.245 -10.481 5.053 1.00 65.31 C ATOM 72 CG LEU A 6 20.706 -10.838 4.705 1.00 53.34 C ATOM 73 CD1 LEU A 6 21.750 -9.926 5.358 1.00 40.41 C ATOM 74 CD2 LEU A 6 20.999 -12.287 5.109 1.00 1.43 C ATOM 0 H LEU A 6 19.181 -8.447 6.528 1.00 31.25 H new ATOM 0 HA LEU A 6 19.354 -8.863 3.687 1.00 22.10 H new ATOM 0 HB2 LEU A 6 19.121 -10.543 6.134 1.00 65.31 H new ATOM 0 HB3 LEU A 6 18.590 -11.233 4.613 1.00 65.31 H new ATOM 0 HG LEU A 6 20.793 -10.698 3.628 1.00 53.34 H new ATOM 0 HD11 LEU A 6 22.749 -10.246 5.062 1.00 40.41 H new ATOM 0 HD12 LEU A 6 21.588 -8.898 5.035 1.00 40.41 H new ATOM 0 HD13 LEU A 6 21.657 -9.985 6.442 1.00 40.41 H new ATOM 0 HD21 LEU A 6 22.032 -12.532 4.861 1.00 1.43 H new ATOM 0 HD22 LEU A 6 20.846 -12.404 6.182 1.00 1.43 H new ATOM 0 HD23 LEU A 6 20.328 -12.957 4.572 1.00 1.43 H new ATOM 86 N ASN A 7 16.466 -9.625 5.175 1.00 4.22 N ATOM 87 CA ASN A 7 15.014 -9.722 5.068 1.00 75.22 C ATOM 88 C ASN A 7 14.341 -8.915 6.170 1.00 43.10 C ATOM 89 O ASN A 7 14.975 -8.578 7.166 1.00 24.34 O ATOM 90 CB ASN A 7 14.556 -11.197 5.149 1.00 24.43 C ATOM 91 CG ASN A 7 14.977 -11.982 6.397 1.00 24.13 C ATOM 92 OD1 ASN A 7 15.159 -13.190 6.316 1.00 24.22 O ATOM 93 ND2 ASN A 7 15.140 -11.364 7.555 1.00 42.02 N ATOM 0 H ASN A 7 16.823 -10.036 6.037 1.00 4.22 H new ATOM 0 HA ASN A 7 14.721 -9.315 4.100 1.00 75.22 H new ATOM 0 HB2 ASN A 7 13.468 -11.219 5.084 1.00 24.43 H new ATOM 0 HB3 ASN A 7 14.938 -11.721 4.273 1.00 24.43 H new ATOM 0 HD21 ASN A 7 15.418 -11.894 8.381 1.00 42.02 H new ATOM 0 HD22 ASN A 7 14.988 -10.358 7.622 1.00 42.02 H new ATOM 100 N ALA A 8 13.041 -8.668 6.021 1.00 73.44 N ATOM 101 CA ALA A 8 12.245 -7.933 6.990 1.00 41.32 C ATOM 102 C ALA A 8 11.942 -8.852 8.176 1.00 71.21 C ATOM 103 O ALA A 8 12.499 -8.687 9.259 1.00 74.21 O ATOM 104 CB ALA A 8 10.967 -7.419 6.316 1.00 31.44 C ATOM 0 H ALA A 8 12.507 -8.980 5.210 1.00 73.44 H new ATOM 0 HA ALA A 8 12.789 -7.065 7.363 1.00 41.32 H new ATOM 0 HB1 ALA A 8 10.369 -6.868 7.042 1.00 31.44 H new ATOM 0 HB2 ALA A 8 11.232 -6.760 5.489 1.00 31.44 H new ATOM 0 HB3 ALA A 8 10.390 -8.263 5.938 1.00 31.44 H new ATOM 110 N THR A 9 11.069 -9.840 7.963 1.00 24.21 N ATOM 111 CA THR A 9 10.659 -10.805 8.975 1.00 10.13 C ATOM 112 C THR A 9 10.756 -12.212 8.378 1.00 25.55 C ATOM 113 O THR A 9 11.813 -12.838 8.463 1.00 64.42 O ATOM 114 CB THR A 9 9.264 -10.434 9.527 1.00 23.22 C ATOM 115 OG1 THR A 9 8.304 -10.294 8.483 1.00 23.53 O ATOM 116 CG2 THR A 9 9.284 -9.150 10.364 1.00 43.22 C ATOM 0 H THR A 9 10.620 -9.991 7.060 1.00 24.21 H new ATOM 0 HA THR A 9 11.322 -10.785 9.840 1.00 10.13 H new ATOM 0 HB THR A 9 8.976 -11.262 10.174 1.00 23.22 H new ATOM 0 HG1 THR A 9 7.433 -10.061 8.868 1.00 23.53 H new ATOM 0 HG21 THR A 9 8.279 -8.936 10.727 1.00 43.22 H new ATOM 0 HG22 THR A 9 9.956 -9.279 11.212 1.00 43.22 H new ATOM 0 HG23 THR A 9 9.632 -8.320 9.749 1.00 43.22 H new ATOM 124 N LYS A 10 9.681 -12.694 7.742 1.00 55.15 N ATOM 125 CA LYS A 10 9.602 -14.012 7.112 1.00 70.05 C ATOM 126 C LYS A 10 8.574 -14.063 5.980 1.00 20.41 C ATOM 127 O LYS A 10 8.736 -14.849 5.046 1.00 23.02 O ATOM 128 CB LYS A 10 9.281 -15.053 8.195 1.00 63.23 C ATOM 129 CG LYS A 10 9.326 -16.480 7.637 1.00 2.40 C ATOM 130 CD LYS A 10 9.172 -17.493 8.763 1.00 13.53 C ATOM 131 CE LYS A 10 9.218 -18.919 8.219 1.00 31.44 C ATOM 132 NZ LYS A 10 8.810 -19.887 9.253 1.00 11.32 N ATOM 0 H LYS A 10 8.817 -12.159 7.650 1.00 55.15 H new ATOM 0 HA LYS A 10 10.565 -14.233 6.651 1.00 70.05 H new ATOM 0 HB2 LYS A 10 9.995 -14.959 9.014 1.00 63.23 H new ATOM 0 HB3 LYS A 10 8.293 -14.855 8.609 1.00 63.23 H new ATOM 0 HG2 LYS A 10 8.530 -16.617 6.905 1.00 2.40 H new ATOM 0 HG3 LYS A 10 10.270 -16.645 7.117 1.00 2.40 H new ATOM 0 HD2 LYS A 10 9.967 -17.353 9.496 1.00 13.53 H new ATOM 0 HD3 LYS A 10 8.228 -17.327 9.281 1.00 13.53 H new ATOM 0 HE2 LYS A 10 8.560 -19.005 7.354 1.00 31.44 H new ATOM 0 HE3 LYS A 10 10.227 -19.150 7.876 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 8.849 -20.850 8.862 1.00 11.32 H new ATOM 0 HZ2 LYS A 10 9.454 -19.818 10.067 1.00 11.32 H new ATOM 0 HZ3 LYS A 10 7.839 -19.677 9.561 1.00 11.32 H new ATOM 146 N LYS A 11 7.469 -13.316 6.053 1.00 14.31 N ATOM 147 CA LYS A 11 6.459 -13.305 4.987 1.00 61.10 C ATOM 148 C LYS A 11 7.083 -12.595 3.794 1.00 5.33 C ATOM 149 O LYS A 11 7.460 -11.429 3.899 1.00 32.41 O ATOM 150 CB LYS A 11 5.185 -12.603 5.470 1.00 5.32 C ATOM 151 CG LYS A 11 4.420 -13.347 6.585 1.00 64.14 C ATOM 152 CD LYS A 11 3.213 -14.161 6.095 1.00 50.44 C ATOM 153 CE LYS A 11 3.635 -15.244 5.098 1.00 1.22 C ATOM 154 NZ LYS A 11 2.555 -16.217 4.833 1.00 74.32 N ATOM 0 H LYS A 11 7.249 -12.708 6.842 1.00 14.31 H new ATOM 0 HA LYS A 11 6.165 -14.316 4.703 1.00 61.10 H new ATOM 0 HB2 LYS A 11 5.449 -11.609 5.831 1.00 5.32 H new ATOM 0 HB3 LYS A 11 4.517 -12.466 4.619 1.00 5.32 H new ATOM 0 HG2 LYS A 11 5.110 -14.017 7.097 1.00 64.14 H new ATOM 0 HG3 LYS A 11 4.077 -12.620 7.321 1.00 64.14 H new ATOM 0 HD2 LYS A 11 2.714 -14.623 6.947 1.00 50.44 H new ATOM 0 HD3 LYS A 11 2.490 -13.494 5.625 1.00 50.44 H new ATOM 0 HE2 LYS A 11 3.935 -14.775 4.161 1.00 1.22 H new ATOM 0 HE3 LYS A 11 4.508 -15.770 5.485 1.00 1.22 H new ATOM 0 HZ1 LYS A 11 2.889 -16.929 4.153 1.00 74.32 H new ATOM 0 HZ2 LYS A 11 2.285 -16.686 5.721 1.00 74.32 H new ATOM 0 HZ3 LYS A 11 1.730 -15.721 4.438 1.00 74.32 H new ATOM 168 N ASP A 12 7.140 -13.280 2.653 1.00 14.24 N ATOM 169 CA ASP A 12 7.731 -12.762 1.420 1.00 1.34 C ATOM 170 C ASP A 12 6.997 -11.516 0.944 1.00 4.23 C ATOM 171 O ASP A 12 7.598 -10.563 0.453 1.00 15.33 O ATOM 172 CB ASP A 12 7.641 -13.835 0.329 1.00 23.51 C ATOM 173 CG ASP A 12 8.746 -14.893 0.361 1.00 25.33 C ATOM 174 OD1 ASP A 12 9.722 -14.759 1.128 1.00 64.34 O ATOM 175 OD2 ASP A 12 8.610 -15.904 -0.365 1.00 42.21 O ATOM 0 H ASP A 12 6.771 -14.226 2.558 1.00 14.24 H new ATOM 0 HA ASP A 12 8.771 -12.503 1.619 1.00 1.34 H new ATOM 0 HB2 ASP A 12 6.677 -14.337 0.415 1.00 23.51 H new ATOM 0 HB3 ASP A 12 7.659 -13.343 -0.644 1.00 23.51 H new ATOM 180 N LYS A 13 5.673 -11.526 1.092 1.00 34.15 N ATOM 181 CA LYS A 13 4.809 -10.425 0.705 1.00 70.41 C ATOM 182 C LYS A 13 5.165 -9.198 1.530 1.00 2.51 C ATOM 183 O LYS A 13 5.393 -8.136 0.971 1.00 30.25 O ATOM 184 CB LYS A 13 3.339 -10.837 0.907 1.00 63.22 C ATOM 185 CG LYS A 13 2.933 -12.016 0.006 1.00 31.31 C ATOM 186 CD LYS A 13 2.649 -11.545 -1.432 1.00 30.42 C ATOM 187 CE LYS A 13 2.389 -12.696 -2.410 1.00 14.41 C ATOM 188 NZ LYS A 13 3.588 -13.531 -2.616 1.00 70.25 N ATOM 0 H LYS A 13 5.167 -12.316 1.492 1.00 34.15 H new ATOM 0 HA LYS A 13 4.949 -10.180 -0.348 1.00 70.41 H new ATOM 0 HB2 LYS A 13 3.181 -11.109 1.951 1.00 63.22 H new ATOM 0 HB3 LYS A 13 2.693 -9.984 0.698 1.00 63.22 H new ATOM 0 HG2 LYS A 13 3.728 -12.761 -0.003 1.00 31.31 H new ATOM 0 HG3 LYS A 13 2.046 -12.501 0.415 1.00 31.31 H new ATOM 0 HD2 LYS A 13 1.784 -10.882 -1.425 1.00 30.42 H new ATOM 0 HD3 LYS A 13 3.496 -10.960 -1.789 1.00 30.42 H new ATOM 0 HE2 LYS A 13 1.577 -13.316 -2.031 1.00 14.41 H new ATOM 0 HE3 LYS A 13 2.061 -12.291 -3.367 1.00 14.41 H new ATOM 0 HZ1 LYS A 13 3.404 -14.223 -3.371 1.00 70.25 H new ATOM 0 HZ2 LYS A 13 4.389 -12.927 -2.888 1.00 70.25 H new ATOM 0 HZ3 LYS A 13 3.817 -14.033 -1.735 1.00 70.25 H new ATOM 202 N LEU A 14 5.232 -9.341 2.851 1.00 13.12 N ATOM 203 CA LEU A 14 5.545 -8.235 3.745 1.00 1.41 C ATOM 204 C LEU A 14 6.961 -7.702 3.517 1.00 20.55 C ATOM 205 O LEU A 14 7.189 -6.509 3.716 1.00 22.54 O ATOM 206 CB LEU A 14 5.325 -8.671 5.205 1.00 40.04 C ATOM 207 CG LEU A 14 3.936 -9.286 5.476 1.00 12.42 C ATOM 208 CD1 LEU A 14 3.785 -9.641 6.955 1.00 35.00 C ATOM 209 CD2 LEU A 14 2.803 -8.345 5.072 1.00 73.50 C ATOM 0 H LEU A 14 5.071 -10.227 3.329 1.00 13.12 H new ATOM 0 HA LEU A 14 4.869 -7.409 3.524 1.00 1.41 H new ATOM 0 HB2 LEU A 14 6.091 -9.398 5.475 1.00 40.04 H new ATOM 0 HB3 LEU A 14 5.461 -7.807 5.855 1.00 40.04 H new ATOM 0 HG LEU A 14 3.867 -10.188 4.868 1.00 12.42 H new ATOM 0 HD11 LEU A 14 2.799 -10.073 7.127 1.00 35.00 H new ATOM 0 HD12 LEU A 14 4.552 -10.363 7.236 1.00 35.00 H new ATOM 0 HD13 LEU A 14 3.896 -8.740 7.559 1.00 35.00 H new ATOM 0 HD21 LEU A 14 1.844 -8.819 5.281 1.00 73.50 H new ATOM 0 HD22 LEU A 14 2.880 -7.418 5.640 1.00 73.50 H new ATOM 0 HD23 LEU A 14 2.875 -8.125 4.007 1.00 73.50 H new ATOM 221 N GLN A 15 7.888 -8.563 3.084 1.00 4.04 N ATOM 222 CA GLN A 15 9.277 -8.207 2.830 1.00 33.21 C ATOM 223 C GLN A 15 9.416 -7.205 1.681 1.00 41.33 C ATOM 224 O GLN A 15 10.090 -6.191 1.870 1.00 74.14 O ATOM 225 CB GLN A 15 10.089 -9.487 2.590 1.00 44.30 C ATOM 226 CG GLN A 15 11.605 -9.250 2.637 1.00 15.24 C ATOM 227 CD GLN A 15 12.390 -10.550 2.451 1.00 74.34 C ATOM 228 OE1 GLN A 15 11.968 -11.607 2.905 1.00 75.03 O ATOM 229 NE2 GLN A 15 13.552 -10.516 1.822 1.00 43.43 N ATOM 0 H GLN A 15 7.684 -9.545 2.898 1.00 4.04 H new ATOM 0 HA GLN A 15 9.677 -7.699 3.708 1.00 33.21 H new ATOM 0 HB2 GLN A 15 9.819 -10.229 3.341 1.00 44.30 H new ATOM 0 HB3 GLN A 15 9.821 -9.904 1.619 1.00 44.30 H new ATOM 0 HG2 GLN A 15 11.886 -8.541 1.858 1.00 15.24 H new ATOM 0 HG3 GLN A 15 11.873 -8.797 3.592 1.00 15.24 H new ATOM 0 HE21 GLN A 15 13.902 -9.635 1.445 1.00 43.43 H new ATOM 0 HE22 GLN A 15 14.099 -11.370 1.714 1.00 43.43 H new ATOM 238 N VAL A 16 8.788 -7.434 0.516 1.00 70.13 N ATOM 239 CA VAL A 16 8.922 -6.475 -0.591 1.00 64.03 C ATOM 240 C VAL A 16 8.353 -5.104 -0.195 1.00 14.21 C ATOM 241 O VAL A 16 8.866 -4.081 -0.649 1.00 2.35 O ATOM 242 CB VAL A 16 8.352 -6.980 -1.940 1.00 52.33 C ATOM 243 CG1 VAL A 16 8.968 -8.311 -2.393 1.00 61.00 C ATOM 244 CG2 VAL A 16 6.829 -7.134 -1.965 1.00 22.44 C ATOM 0 H VAL A 16 8.202 -8.246 0.320 1.00 70.13 H new ATOM 0 HA VAL A 16 9.991 -6.365 -0.771 1.00 64.03 H new ATOM 0 HB VAL A 16 8.631 -6.186 -2.632 1.00 52.33 H new ATOM 0 HG11 VAL A 16 8.527 -8.611 -3.344 1.00 61.00 H new ATOM 0 HG12 VAL A 16 10.045 -8.191 -2.514 1.00 61.00 H new ATOM 0 HG13 VAL A 16 8.770 -9.077 -1.644 1.00 61.00 H new ATOM 0 HG21 VAL A 16 6.516 -7.491 -2.946 1.00 22.44 H new ATOM 0 HG22 VAL A 16 6.523 -7.851 -1.203 1.00 22.44 H new ATOM 0 HG23 VAL A 16 6.362 -6.170 -1.764 1.00 22.44 H new ATOM 254 N ILE A 17 7.299 -5.071 0.635 1.00 4.23 N ATOM 255 CA ILE A 17 6.701 -3.812 1.065 1.00 44.34 C ATOM 256 C ILE A 17 7.643 -3.106 2.047 1.00 25.40 C ATOM 257 O ILE A 17 7.804 -1.895 1.980 1.00 51.32 O ATOM 258 CB ILE A 17 5.281 -3.967 1.648 1.00 34.40 C ATOM 259 CG1 ILE A 17 4.360 -4.929 0.872 1.00 63.33 C ATOM 260 CG2 ILE A 17 4.631 -2.579 1.638 1.00 64.24 C ATOM 261 CD1 ILE A 17 3.100 -5.303 1.667 1.00 45.12 C ATOM 0 H ILE A 17 6.849 -5.903 1.017 1.00 4.23 H new ATOM 0 HA ILE A 17 6.573 -3.194 0.176 1.00 44.34 H new ATOM 0 HB ILE A 17 5.395 -4.395 2.644 1.00 34.40 H new ATOM 0 HG12 ILE A 17 4.067 -4.466 -0.071 1.00 63.33 H new ATOM 0 HG13 ILE A 17 4.912 -5.835 0.624 1.00 63.33 H new ATOM 0 HG21 ILE A 17 3.622 -2.647 2.044 1.00 64.24 H new ATOM 0 HG22 ILE A 17 5.222 -1.896 2.248 1.00 64.24 H new ATOM 0 HG23 ILE A 17 4.586 -2.206 0.615 1.00 64.24 H new ATOM 0 HD11 ILE A 17 2.485 -5.982 1.076 1.00 45.12 H new ATOM 0 HD12 ILE A 17 3.389 -5.792 2.598 1.00 45.12 H new ATOM 0 HD13 ILE A 17 2.531 -4.401 1.892 1.00 45.12 H new ATOM 273 N ASP A 18 8.266 -3.840 2.967 1.00 1.51 N ATOM 274 CA ASP A 18 9.197 -3.235 3.927 1.00 71.41 C ATOM 275 C ASP A 18 10.364 -2.604 3.151 1.00 62.11 C ATOM 276 O ASP A 18 10.824 -1.520 3.493 1.00 44.25 O ATOM 277 CB ASP A 18 9.686 -4.273 4.951 1.00 22.24 C ATOM 278 CG ASP A 18 10.090 -3.660 6.303 1.00 34.23 C ATOM 279 OD1 ASP A 18 9.857 -4.313 7.347 1.00 74.53 O ATOM 280 OD2 ASP A 18 10.659 -2.550 6.370 1.00 5.43 O ATOM 0 H ASP A 18 8.147 -4.848 3.071 1.00 1.51 H new ATOM 0 HA ASP A 18 8.687 -2.456 4.494 1.00 71.41 H new ATOM 0 HB2 ASP A 18 8.898 -5.008 5.116 1.00 22.24 H new ATOM 0 HB3 ASP A 18 10.539 -4.808 4.534 1.00 22.24 H new ATOM 285 N TRP A 19 10.800 -3.245 2.057 1.00 54.25 N ATOM 286 CA TRP A 19 11.888 -2.766 1.214 1.00 53.33 C ATOM 287 C TRP A 19 11.518 -1.434 0.556 1.00 70.10 C ATOM 288 O TRP A 19 12.272 -0.467 0.672 1.00 52.42 O ATOM 289 CB TRP A 19 12.238 -3.825 0.154 1.00 62.55 C ATOM 290 CG TRP A 19 13.136 -3.345 -0.948 1.00 35.21 C ATOM 291 CD1 TRP A 19 12.735 -2.689 -2.064 1.00 60.14 C ATOM 292 CD2 TRP A 19 14.590 -3.393 -1.019 1.00 25.35 C ATOM 293 NE1 TRP A 19 13.840 -2.310 -2.799 1.00 75.24 N ATOM 294 CE2 TRP A 19 15.003 -2.724 -2.205 1.00 51.45 C ATOM 295 CE3 TRP A 19 15.611 -3.919 -0.200 1.00 2.20 C ATOM 296 CZ2 TRP A 19 16.346 -2.553 -2.550 1.00 31.14 C ATOM 297 CZ3 TRP A 19 16.968 -3.772 -0.544 1.00 42.20 C ATOM 298 CH2 TRP A 19 17.338 -3.074 -1.709 1.00 31.24 C ATOM 0 H TRP A 19 10.396 -4.124 1.734 1.00 54.25 H new ATOM 0 HA TRP A 19 12.766 -2.596 1.837 1.00 53.33 H new ATOM 0 HB2 TRP A 19 12.716 -4.670 0.650 1.00 62.55 H new ATOM 0 HB3 TRP A 19 11.313 -4.196 -0.287 1.00 62.55 H new ATOM 0 HD1 TRP A 19 11.708 -2.493 -2.336 1.00 60.14 H new ATOM 0 HE1 TRP A 19 13.796 -1.788 -3.674 1.00 75.24 H new ATOM 0 HE3 TRP A 19 15.347 -4.443 0.706 1.00 2.20 H new ATOM 0 HZ2 TRP A 19 16.616 -2.026 -3.453 1.00 31.14 H new ATOM 0 HZ3 TRP A 19 17.731 -4.198 0.091 1.00 42.20 H new ATOM 0 HH2 TRP A 19 18.382 -2.941 -1.953 1.00 31.24 H new ATOM 309 N LEU A 20 10.380 -1.368 -0.152 1.00 1.52 N ATOM 310 CA LEU A 20 9.971 -0.126 -0.818 1.00 52.41 C ATOM 311 C LEU A 20 9.750 1.003 0.189 1.00 2.44 C ATOM 312 O LEU A 20 10.068 2.152 -0.113 1.00 43.21 O ATOM 313 CB LEU A 20 8.778 -0.328 -1.770 1.00 55.20 C ATOM 314 CG LEU A 20 7.474 -0.847 -1.145 1.00 21.14 C ATOM 315 CD1 LEU A 20 6.497 0.264 -0.740 1.00 51.32 C ATOM 316 CD2 LEU A 20 6.770 -1.846 -2.067 1.00 64.11 C ATOM 0 H LEU A 20 9.736 -2.149 -0.276 1.00 1.52 H new ATOM 0 HA LEU A 20 10.799 0.183 -1.456 1.00 52.41 H new ATOM 0 HB2 LEU A 20 8.566 0.624 -2.256 1.00 55.20 H new ATOM 0 HB3 LEU A 20 9.081 -1.025 -2.552 1.00 55.20 H new ATOM 0 HG LEU A 20 7.779 -1.351 -0.228 1.00 21.14 H new ATOM 0 HD11 LEU A 20 5.601 -0.180 -0.307 1.00 51.32 H new ATOM 0 HD12 LEU A 20 6.971 0.915 -0.006 1.00 51.32 H new ATOM 0 HD13 LEU A 20 6.224 0.847 -1.620 1.00 51.32 H new ATOM 0 HD21 LEU A 20 5.851 -2.193 -1.594 1.00 64.11 H new ATOM 0 HD22 LEU A 20 6.530 -1.361 -3.013 1.00 64.11 H new ATOM 0 HD23 LEU A 20 7.427 -2.696 -2.251 1.00 64.11 H new ATOM 328 N ILE A 21 9.234 0.681 1.377 1.00 20.25 N ATOM 329 CA ILE A 21 8.992 1.647 2.439 1.00 33.21 C ATOM 330 C ILE A 21 10.343 2.225 2.878 1.00 44.31 C ATOM 331 O ILE A 21 10.482 3.437 3.042 1.00 52.23 O ATOM 332 CB ILE A 21 8.252 0.932 3.600 1.00 35.40 C ATOM 333 CG1 ILE A 21 6.753 0.743 3.273 1.00 54.45 C ATOM 334 CG2 ILE A 21 8.437 1.647 4.948 1.00 71.05 C ATOM 335 CD1 ILE A 21 6.024 -0.197 4.238 1.00 41.33 C ATOM 0 H ILE A 21 8.971 -0.272 1.627 1.00 20.25 H new ATOM 0 HA ILE A 21 8.363 2.471 2.102 1.00 33.21 H new ATOM 0 HB ILE A 21 8.708 -0.053 3.702 1.00 35.40 H new ATOM 0 HG12 ILE A 21 6.262 1.716 3.288 1.00 54.45 H new ATOM 0 HG13 ILE A 21 6.658 0.353 2.259 1.00 54.45 H new ATOM 0 HG21 ILE A 21 7.898 1.104 5.725 1.00 71.05 H new ATOM 0 HG22 ILE A 21 9.497 1.682 5.199 1.00 71.05 H new ATOM 0 HG23 ILE A 21 8.047 2.662 4.878 1.00 71.05 H new ATOM 0 HD11 ILE A 21 4.978 -0.280 3.944 1.00 41.33 H new ATOM 0 HD12 ILE A 21 6.489 -1.183 4.207 1.00 41.33 H new ATOM 0 HD13 ILE A 21 6.086 0.201 5.251 1.00 41.33 H new ATOM 347 N GLU A 22 11.325 1.350 3.099 1.00 50.30 N ATOM 348 CA GLU A 22 12.665 1.692 3.541 1.00 1.42 C ATOM 349 C GLU A 22 13.427 2.539 2.520 1.00 1.43 C ATOM 350 O GLU A 22 14.155 3.451 2.912 1.00 74.43 O ATOM 351 CB GLU A 22 13.389 0.378 3.862 1.00 34.03 C ATOM 352 CG GLU A 22 14.793 0.537 4.445 1.00 41.12 C ATOM 353 CD GLU A 22 15.312 -0.836 4.868 1.00 34.33 C ATOM 354 OE1 GLU A 22 15.978 -1.529 4.062 1.00 23.42 O ATOM 355 OE2 GLU A 22 14.982 -1.253 6.006 1.00 40.41 O ATOM 0 H GLU A 22 11.197 0.347 2.968 1.00 50.30 H new ATOM 0 HA GLU A 22 12.610 2.320 4.430 1.00 1.42 H new ATOM 0 HB2 GLU A 22 12.782 -0.190 4.567 1.00 34.03 H new ATOM 0 HB3 GLU A 22 13.456 -0.214 2.949 1.00 34.03 H new ATOM 0 HG2 GLU A 22 15.460 0.981 3.706 1.00 41.12 H new ATOM 0 HG3 GLU A 22 14.772 1.212 5.301 1.00 41.12 H new ATOM 362 N ASN A 23 13.241 2.258 1.228 1.00 41.22 N ATOM 363 CA ASN A 23 13.894 2.953 0.118 1.00 4.12 C ATOM 364 C ASN A 23 13.436 4.407 -0.006 1.00 10.21 C ATOM 365 O ASN A 23 14.250 5.280 -0.335 1.00 35.20 O ATOM 366 CB ASN A 23 13.610 2.224 -1.202 1.00 73.53 C ATOM 367 CG ASN A 23 14.610 1.127 -1.537 1.00 63.22 C ATOM 368 OD1 ASN A 23 15.331 1.191 -2.532 1.00 50.10 O ATOM 369 ND2 ASN A 23 14.688 0.091 -0.728 1.00 24.15 N ATOM 0 H ASN A 23 12.612 1.518 0.917 1.00 41.22 H new ATOM 0 HA ASN A 23 14.964 2.952 0.328 1.00 4.12 H new ATOM 0 HB2 ASN A 23 12.612 1.788 -1.156 1.00 73.53 H new ATOM 0 HB3 ASN A 23 13.603 2.953 -2.012 1.00 73.53 H new ATOM 0 HD21 ASN A 23 15.348 -0.662 -0.925 1.00 24.15 H new ATOM 0 HD22 ASN A 23 14.089 0.041 0.096 1.00 24.15 H new ATOM 376 N PHE A 24 12.150 4.689 0.230 1.00 33.25 N ATOM 377 CA PHE A 24 11.597 6.039 0.154 1.00 0.14 C ATOM 378 C PHE A 24 11.068 6.451 1.529 1.00 21.43 C ATOM 379 O PHE A 24 9.862 6.477 1.768 1.00 50.43 O ATOM 380 CB PHE A 24 10.592 6.181 -1.003 1.00 1.33 C ATOM 381 CG PHE A 24 11.219 6.221 -2.393 1.00 35.31 C ATOM 382 CD1 PHE A 24 12.348 7.024 -2.655 1.00 43.34 C ATOM 383 CD2 PHE A 24 10.655 5.478 -3.448 1.00 22.35 C ATOM 384 CE1 PHE A 24 12.909 7.066 -3.941 1.00 45.20 C ATOM 385 CE2 PHE A 24 11.192 5.561 -4.745 1.00 1.32 C ATOM 386 CZ PHE A 24 12.311 6.368 -4.999 1.00 74.10 C ATOM 0 H PHE A 24 11.462 3.979 0.481 1.00 33.25 H new ATOM 0 HA PHE A 24 12.382 6.751 -0.098 1.00 0.14 H new ATOM 0 HB2 PHE A 24 9.890 5.348 -0.960 1.00 1.33 H new ATOM 0 HB3 PHE A 24 10.014 7.093 -0.854 1.00 1.33 H new ATOM 0 HD1 PHE A 24 12.784 7.611 -1.860 1.00 43.34 H new ATOM 0 HD2 PHE A 24 9.804 4.840 -3.260 1.00 22.35 H new ATOM 0 HE1 PHE A 24 13.807 7.640 -4.116 1.00 45.20 H new ATOM 0 HE2 PHE A 24 10.740 5.000 -5.550 1.00 1.32 H new ATOM 0 HZ PHE A 24 12.708 6.451 -6.000 1.00 74.10 H new ATOM 396 N PRO A 25 11.964 6.827 2.459 1.00 40.13 N ATOM 397 CA PRO A 25 11.592 7.236 3.801 1.00 54.44 C ATOM 398 C PRO A 25 10.964 8.632 3.853 1.00 24.11 C ATOM 399 O PRO A 25 10.768 9.131 4.959 1.00 53.11 O ATOM 400 CB PRO A 25 12.891 7.164 4.611 1.00 32.43 C ATOM 401 CG PRO A 25 13.950 7.530 3.580 1.00 30.33 C ATOM 402 CD PRO A 25 13.413 6.855 2.323 1.00 73.11 C ATOM 0 HA PRO A 25 10.817 6.585 4.206 1.00 54.44 H new ATOM 0 HB2 PRO A 25 12.884 7.861 5.449 1.00 32.43 H new ATOM 0 HB3 PRO A 25 13.056 6.169 5.025 1.00 32.43 H new ATOM 0 HG2 PRO A 25 14.043 8.609 3.456 1.00 30.33 H new ATOM 0 HG3 PRO A 25 14.935 7.154 3.856 1.00 30.33 H new ATOM 0 HD2 PRO A 25 13.709 7.406 1.430 1.00 73.11 H new ATOM 0 HD3 PRO A 25 13.813 5.846 2.223 1.00 73.11 H new ATOM 410 N ASN A 26 10.621 9.271 2.727 1.00 52.24 N ATOM 411 CA ASN A 26 10.049 10.622 2.781 1.00 73.43 C ATOM 412 C ASN A 26 8.581 10.540 3.169 1.00 22.32 C ATOM 413 O ASN A 26 8.050 11.527 3.680 1.00 75.22 O ATOM 414 CB ASN A 26 10.184 11.413 1.475 1.00 5.24 C ATOM 415 CG ASN A 26 9.912 10.554 0.274 1.00 22.33 C ATOM 416 OD1 ASN A 26 8.791 10.424 -0.187 1.00 33.03 O ATOM 417 ND2 ASN A 26 10.958 9.902 -0.195 1.00 13.05 N ATOM 0 H ASN A 26 10.726 8.886 1.789 1.00 52.24 H new ATOM 0 HA ASN A 26 10.626 11.164 3.530 1.00 73.43 H new ATOM 0 HB2 ASN A 26 9.490 12.254 1.486 1.00 5.24 H new ATOM 0 HB3 ASN A 26 11.189 11.830 1.404 1.00 5.24 H new ATOM 0 HD21 ASN A 26 10.848 9.256 -0.977 1.00 13.05 H new ATOM 0 HD22 ASN A 26 11.877 10.044 0.224 1.00 13.05 H new ATOM 424 N ALA A 27 7.948 9.375 2.983 1.00 75.34 N ATOM 425 CA ALA A 27 6.571 9.125 3.354 1.00 62.04 C ATOM 426 C ALA A 27 6.227 7.669 3.080 1.00 4.32 C ATOM 427 O ALA A 27 6.197 7.247 1.928 1.00 31.13 O ATOM 428 CB ALA A 27 5.716 9.945 2.386 1.00 1.01 C ATOM 0 H ALA A 27 8.401 8.566 2.558 1.00 75.34 H new ATOM 0 HA ALA A 27 6.408 9.369 4.404 1.00 62.04 H new ATOM 0 HB1 ALA A 27 4.661 9.797 2.617 1.00 1.01 H new ATOM 0 HB2 ALA A 27 5.964 11.002 2.487 1.00 1.01 H new ATOM 0 HB3 ALA A 27 5.912 9.622 1.364 1.00 1.01 H new ATOM 434 N PHE A 28 5.894 6.923 4.130 1.00 5.50 N ATOM 435 CA PHE A 28 5.474 5.527 4.105 1.00 73.13 C ATOM 436 C PHE A 28 5.202 5.097 5.555 1.00 53.14 C ATOM 437 O PHE A 28 5.534 5.834 6.486 1.00 65.12 O ATOM 438 CB PHE A 28 6.491 4.625 3.382 1.00 72.33 C ATOM 439 CG PHE A 28 6.124 4.249 1.952 1.00 24.44 C ATOM 440 CD1 PHE A 28 4.944 3.519 1.697 1.00 21.33 C ATOM 441 CD2 PHE A 28 6.963 4.611 0.877 1.00 2.42 C ATOM 442 CE1 PHE A 28 4.596 3.162 0.383 1.00 61.33 C ATOM 443 CE2 PHE A 28 6.613 4.253 -0.438 1.00 33.50 C ATOM 444 CZ PHE A 28 5.426 3.538 -0.687 1.00 11.32 C ATOM 0 H PHE A 28 5.912 7.301 5.077 1.00 5.50 H new ATOM 0 HA PHE A 28 4.559 5.418 3.523 1.00 73.13 H new ATOM 0 HB2 PHE A 28 7.457 5.130 3.371 1.00 72.33 H new ATOM 0 HB3 PHE A 28 6.616 3.710 3.960 1.00 72.33 H new ATOM 0 HD1 PHE A 28 4.303 3.232 2.518 1.00 21.33 H new ATOM 0 HD2 PHE A 28 7.873 5.162 1.063 1.00 2.42 H new ATOM 0 HE1 PHE A 28 3.693 2.600 0.196 1.00 61.33 H new ATOM 0 HE2 PHE A 28 7.258 4.528 -1.260 1.00 33.50 H new ATOM 0 HZ PHE A 28 5.154 3.279 -1.699 1.00 11.32 H new ATOM 454 N PHE A 29 4.657 3.898 5.794 1.00 52.42 N ATOM 455 CA PHE A 29 4.392 3.365 7.134 1.00 64.00 C ATOM 456 C PHE A 29 4.359 1.835 7.056 1.00 55.04 C ATOM 457 O PHE A 29 3.744 1.299 6.134 1.00 20.31 O ATOM 458 CB PHE A 29 3.065 3.869 7.703 1.00 32.43 C ATOM 459 CG PHE A 29 2.971 5.353 7.997 1.00 63.45 C ATOM 460 CD1 PHE A 29 2.483 6.228 7.014 1.00 3.31 C ATOM 461 CD2 PHE A 29 3.369 5.867 9.244 1.00 61.32 C ATOM 462 CE1 PHE A 29 2.377 7.605 7.271 1.00 23.12 C ATOM 463 CE2 PHE A 29 3.201 7.232 9.529 1.00 63.04 C ATOM 464 CZ PHE A 29 2.699 8.101 8.545 1.00 35.53 C ATOM 0 H PHE A 29 4.383 3.260 5.047 1.00 52.42 H new ATOM 0 HA PHE A 29 5.186 3.707 7.798 1.00 64.00 H new ATOM 0 HB2 PHE A 29 2.273 3.610 7.000 1.00 32.43 H new ATOM 0 HB3 PHE A 29 2.862 3.326 8.626 1.00 32.43 H new ATOM 0 HD1 PHE A 29 2.186 5.839 6.051 1.00 3.31 H new ATOM 0 HD2 PHE A 29 3.804 5.211 9.983 1.00 61.32 H new ATOM 0 HE1 PHE A 29 2.050 8.279 6.493 1.00 23.12 H new ATOM 0 HE2 PHE A 29 3.458 7.614 10.506 1.00 63.04 H new ATOM 0 HZ PHE A 29 2.561 9.149 8.768 1.00 35.53 H new ATOM 474 N LYS A 30 4.988 1.124 8.004 1.00 72.02 N ATOM 475 CA LYS A 30 5.009 -0.350 8.004 1.00 13.33 C ATOM 476 C LYS A 30 3.775 -0.971 8.666 1.00 43.21 C ATOM 477 O LYS A 30 3.287 -1.991 8.195 1.00 52.11 O ATOM 478 CB LYS A 30 6.253 -0.921 8.715 1.00 71.44 C ATOM 479 CG LYS A 30 7.614 -0.713 8.027 1.00 52.24 C ATOM 480 CD LYS A 30 8.304 0.608 8.418 1.00 5.45 C ATOM 481 CE LYS A 30 9.774 0.746 7.965 1.00 11.24 C ATOM 482 NZ LYS A 30 10.603 -0.469 8.118 1.00 43.43 N ATOM 0 H LYS A 30 5.491 1.546 8.784 1.00 72.02 H new ATOM 0 HA LYS A 30 5.025 -0.615 6.947 1.00 13.33 H new ATOM 0 HB2 LYS A 30 6.306 -0.479 9.710 1.00 71.44 H new ATOM 0 HB3 LYS A 30 6.103 -1.992 8.850 1.00 71.44 H new ATOM 0 HG2 LYS A 30 8.271 -1.545 8.279 1.00 52.24 H new ATOM 0 HG3 LYS A 30 7.473 -0.734 6.946 1.00 52.24 H new ATOM 0 HD2 LYS A 30 7.733 1.435 7.997 1.00 5.45 H new ATOM 0 HD3 LYS A 30 8.264 0.712 9.502 1.00 5.45 H new ATOM 0 HE2 LYS A 30 9.787 1.044 6.917 1.00 11.24 H new ATOM 0 HE3 LYS A 30 10.236 1.554 8.532 1.00 11.24 H new ATOM 0 HZ1 LYS A 30 11.603 -0.198 8.203 1.00 43.43 H new ATOM 0 HZ2 LYS A 30 10.310 -0.984 8.972 1.00 43.43 H new ATOM 0 HZ3 LYS A 30 10.480 -1.080 7.286 1.00 43.43 H new ATOM 496 N LYS A 31 3.328 -0.418 9.798 1.00 41.52 N ATOM 497 CA LYS A 31 2.169 -0.923 10.540 1.00 5.41 C ATOM 498 C LYS A 31 0.866 -0.577 9.796 1.00 55.23 C ATOM 499 O LYS A 31 0.895 -0.118 8.649 1.00 21.20 O ATOM 500 CB LYS A 31 2.200 -0.335 11.974 1.00 63.13 C ATOM 501 CG LYS A 31 1.845 -1.367 13.062 1.00 60.01 C ATOM 502 CD LYS A 31 3.017 -1.954 13.867 1.00 43.34 C ATOM 503 CE LYS A 31 4.067 -2.688 13.021 1.00 62.11 C ATOM 504 NZ LYS A 31 5.042 -3.414 13.867 1.00 72.42 N ATOM 0 H LYS A 31 3.763 0.398 10.228 1.00 41.52 H new ATOM 0 HA LYS A 31 2.210 -2.010 10.614 1.00 5.41 H new ATOM 0 HB2 LYS A 31 3.194 0.066 12.174 1.00 63.13 H new ATOM 0 HB3 LYS A 31 1.501 0.500 12.032 1.00 63.13 H new ATOM 0 HG2 LYS A 31 1.152 -0.899 13.762 1.00 60.01 H new ATOM 0 HG3 LYS A 31 1.311 -2.191 12.588 1.00 60.01 H new ATOM 0 HD2 LYS A 31 3.507 -1.147 14.412 1.00 43.34 H new ATOM 0 HD3 LYS A 31 2.620 -2.645 14.611 1.00 43.34 H new ATOM 0 HE2 LYS A 31 3.569 -3.392 12.354 1.00 62.11 H new ATOM 0 HE3 LYS A 31 4.594 -1.970 12.392 1.00 62.11 H new ATOM 0 HZ1 LYS A 31 5.735 -3.897 13.261 1.00 72.42 H new ATOM 0 HZ2 LYS A 31 5.535 -2.739 14.486 1.00 72.42 H new ATOM 0 HZ3 LYS A 31 4.542 -4.116 14.449 1.00 72.42 H new ATOM 518 N GLY A 32 -0.286 -0.680 10.469 1.00 45.23 N ATOM 519 CA GLY A 32 -1.594 -0.342 9.909 1.00 41.23 C ATOM 520 C GLY A 32 -2.181 0.900 10.580 1.00 15.13 C ATOM 521 O GLY A 32 -2.589 1.835 9.912 1.00 64.24 O ATOM 0 H GLY A 32 -0.333 -1.006 11.434 1.00 45.23 H new ATOM 0 HA2 GLY A 32 -1.499 -0.168 8.837 1.00 41.23 H new ATOM 0 HA3 GLY A 32 -2.275 -1.183 10.037 1.00 41.23 H new ATOM 525 N ASN A 33 -2.145 1.002 11.909 1.00 72.10 N ATOM 526 CA ASN A 33 -2.710 2.136 12.658 1.00 30.12 C ATOM 527 C ASN A 33 -2.174 3.515 12.264 1.00 24.34 C ATOM 528 O ASN A 33 -2.940 4.474 12.303 1.00 2.24 O ATOM 529 CB ASN A 33 -2.473 1.977 14.169 1.00 21.05 C ATOM 530 CG ASN A 33 -1.029 2.257 14.587 1.00 70.25 C ATOM 531 OD1 ASN A 33 -0.750 3.103 15.422 1.00 31.41 O ATOM 532 ND2 ASN A 33 -0.054 1.586 14.001 1.00 43.12 N ATOM 0 H ASN A 33 -1.719 0.294 12.507 1.00 72.10 H new ATOM 0 HA ASN A 33 -3.769 2.104 12.400 1.00 30.12 H new ATOM 0 HB2 ASN A 33 -3.137 2.653 14.707 1.00 21.05 H new ATOM 0 HB3 ASN A 33 -2.740 0.963 14.467 1.00 21.05 H new ATOM 0 HD21 ASN A 33 0.917 1.777 14.248 1.00 43.12 H new ATOM 0 HD22 ASN A 33 -0.272 0.876 13.302 1.00 43.12 H new ATOM 539 N GLN A 34 -0.900 3.634 11.893 1.00 2.35 N ATOM 540 CA GLN A 34 -0.298 4.912 11.524 1.00 75.34 C ATOM 541 C GLN A 34 -0.321 5.124 10.007 1.00 30.30 C ATOM 542 O GLN A 34 0.126 6.163 9.535 1.00 73.31 O ATOM 543 CB GLN A 34 1.079 5.036 12.223 1.00 63.53 C ATOM 544 CG GLN A 34 2.087 3.887 12.006 1.00 5.03 C ATOM 545 CD GLN A 34 3.344 3.874 12.889 1.00 53.34 C ATOM 546 OE1 GLN A 34 4.373 3.330 12.491 1.00 73.54 O ATOM 547 NE2 GLN A 34 3.278 4.356 14.118 1.00 71.12 N ATOM 0 H GLN A 34 -0.256 2.845 11.840 1.00 2.35 H new ATOM 0 HA GLN A 34 -0.888 5.752 11.890 1.00 75.34 H new ATOM 0 HB2 GLN A 34 1.546 5.962 11.888 1.00 63.53 H new ATOM 0 HB3 GLN A 34 0.906 5.136 13.295 1.00 63.53 H new ATOM 0 HG2 GLN A 34 1.561 2.944 12.155 1.00 5.03 H new ATOM 0 HG3 GLN A 34 2.407 3.912 10.964 1.00 5.03 H new ATOM 0 HE21 GLN A 34 2.423 4.806 14.444 1.00 71.12 H new ATOM 0 HE22 GLN A 34 4.082 4.278 14.740 1.00 71.12 H new ATOM 556 N VAL A 35 -0.858 4.169 9.239 1.00 74.05 N ATOM 557 CA VAL A 35 -0.909 4.266 7.775 1.00 23.44 C ATOM 558 C VAL A 35 -1.913 5.343 7.312 1.00 33.14 C ATOM 559 O VAL A 35 -2.891 5.620 8.013 1.00 35.11 O ATOM 560 CB VAL A 35 -1.223 2.851 7.212 1.00 5.13 C ATOM 561 CG1 VAL A 35 -2.711 2.504 7.063 1.00 32.13 C ATOM 562 CG2 VAL A 35 -0.535 2.587 5.874 1.00 64.24 C ATOM 0 H VAL A 35 -1.267 3.312 9.611 1.00 74.05 H new ATOM 0 HA VAL A 35 0.053 4.593 7.381 1.00 23.44 H new ATOM 0 HB VAL A 35 -0.820 2.201 7.989 1.00 5.13 H new ATOM 0 HG11 VAL A 35 -2.811 1.495 6.663 1.00 32.13 H new ATOM 0 HG12 VAL A 35 -3.196 2.557 8.037 1.00 32.13 H new ATOM 0 HG13 VAL A 35 -3.184 3.213 6.383 1.00 32.13 H new ATOM 0 HG21 VAL A 35 -0.788 1.585 5.526 1.00 64.24 H new ATOM 0 HG22 VAL A 35 -0.870 3.321 5.141 1.00 64.24 H new ATOM 0 HG23 VAL A 35 0.545 2.666 5.998 1.00 64.24 H new ATOM 572 N LYS A 36 -1.678 5.958 6.146 1.00 71.31 N ATOM 573 CA LYS A 36 -2.534 6.971 5.505 1.00 61.10 C ATOM 574 C LYS A 36 -2.378 6.783 3.988 1.00 2.32 C ATOM 575 O LYS A 36 -1.390 6.161 3.578 1.00 14.23 O ATOM 576 CB LYS A 36 -2.270 8.403 6.026 1.00 1.13 C ATOM 577 CG LYS A 36 -1.025 9.154 5.532 1.00 55.20 C ATOM 578 CD LYS A 36 -0.938 10.586 6.114 1.00 54.43 C ATOM 579 CE LYS A 36 -1.786 11.608 5.329 1.00 52.42 C ATOM 580 NZ LYS A 36 -1.594 13.011 5.775 1.00 75.02 N ATOM 0 H LYS A 36 -0.845 5.754 5.594 1.00 71.31 H new ATOM 0 HA LYS A 36 -3.582 6.829 5.769 1.00 61.10 H new ATOM 0 HB2 LYS A 36 -3.141 9.010 5.778 1.00 1.13 H new ATOM 0 HB3 LYS A 36 -2.215 8.353 7.113 1.00 1.13 H new ATOM 0 HG2 LYS A 36 -0.131 8.595 5.810 1.00 55.20 H new ATOM 0 HG3 LYS A 36 -1.042 9.206 4.443 1.00 55.20 H new ATOM 0 HD2 LYS A 36 -1.267 10.571 7.153 1.00 54.43 H new ATOM 0 HD3 LYS A 36 0.103 10.910 6.114 1.00 54.43 H new ATOM 0 HE2 LYS A 36 -1.538 11.536 4.270 1.00 52.42 H new ATOM 0 HE3 LYS A 36 -2.839 11.345 5.428 1.00 52.42 H new ATOM 0 HZ1 LYS A 36 -2.231 13.636 5.240 1.00 75.02 H new ATOM 0 HZ2 LYS A 36 -1.809 13.085 6.790 1.00 75.02 H new ATOM 0 HZ3 LYS A 36 -0.608 13.297 5.608 1.00 75.02 H new ATOM 594 N PRO A 37 -3.294 7.269 3.137 1.00 4.30 N ATOM 595 CA PRO A 37 -3.174 7.074 1.698 1.00 72.53 C ATOM 596 C PRO A 37 -2.002 7.828 1.070 1.00 12.41 C ATOM 597 O PRO A 37 -1.662 8.933 1.489 1.00 34.15 O ATOM 598 CB PRO A 37 -4.515 7.526 1.121 1.00 33.44 C ATOM 599 CG PRO A 37 -5.009 8.563 2.126 1.00 4.24 C ATOM 600 CD PRO A 37 -4.504 8.012 3.456 1.00 10.33 C ATOM 0 HA PRO A 37 -2.956 6.030 1.473 1.00 72.53 H new ATOM 0 HB2 PRO A 37 -4.399 7.956 0.126 1.00 33.44 H new ATOM 0 HB3 PRO A 37 -5.212 6.693 1.029 1.00 33.44 H new ATOM 0 HG2 PRO A 37 -4.603 9.553 1.918 1.00 4.24 H new ATOM 0 HG3 PRO A 37 -6.095 8.654 2.112 1.00 4.24 H new ATOM 0 HD2 PRO A 37 -4.295 8.817 4.160 1.00 10.33 H new ATOM 0 HD3 PRO A 37 -5.249 7.367 3.921 1.00 10.33 H new ATOM 608 N LEU A 38 -1.418 7.205 0.046 1.00 41.10 N ATOM 609 CA LEU A 38 -0.303 7.677 -0.773 1.00 23.31 C ATOM 610 C LEU A 38 -0.860 8.226 -2.092 1.00 15.44 C ATOM 611 O LEU A 38 -2.059 8.090 -2.374 1.00 33.24 O ATOM 612 CB LEU A 38 0.685 6.538 -1.099 1.00 72.12 C ATOM 613 CG LEU A 38 1.758 6.172 -0.059 1.00 14.03 C ATOM 614 CD1 LEU A 38 2.487 7.386 0.526 1.00 23.31 C ATOM 615 CD2 LEU A 38 1.209 5.282 1.049 1.00 42.23 C ATOM 0 H LEU A 38 -1.738 6.285 -0.255 1.00 41.10 H new ATOM 0 HA LEU A 38 0.228 8.447 -0.213 1.00 23.31 H new ATOM 0 HB2 LEU A 38 0.100 5.641 -1.301 1.00 72.12 H new ATOM 0 HB3 LEU A 38 1.197 6.799 -2.025 1.00 72.12 H new ATOM 0 HG LEU A 38 2.503 5.601 -0.613 1.00 14.03 H new ATOM 0 HD11 LEU A 38 3.228 7.051 1.251 1.00 23.31 H new ATOM 0 HD12 LEU A 38 2.985 7.932 -0.275 1.00 23.31 H new ATOM 0 HD13 LEU A 38 1.767 8.040 1.019 1.00 23.31 H new ATOM 0 HD21 LEU A 38 2.004 5.051 1.758 1.00 42.23 H new ATOM 0 HD22 LEU A 38 0.401 5.801 1.566 1.00 42.23 H new ATOM 0 HD23 LEU A 38 0.828 4.356 0.617 1.00 42.23 H new ATOM 627 N LYS A 39 -0.024 8.924 -2.873 1.00 21.23 N ATOM 628 CA LYS A 39 -0.436 9.470 -4.164 1.00 11.02 C ATOM 629 C LYS A 39 -0.970 8.358 -5.093 1.00 11.42 C ATOM 630 O LYS A 39 -0.761 7.160 -4.873 1.00 71.30 O ATOM 631 CB LYS A 39 0.732 10.234 -4.822 1.00 0.53 C ATOM 632 CG LYS A 39 0.263 11.174 -5.952 1.00 40.55 C ATOM 633 CD LYS A 39 0.880 10.899 -7.326 1.00 70.31 C ATOM 634 CE LYS A 39 2.158 11.710 -7.508 1.00 32.34 C ATOM 635 NZ LYS A 39 2.673 11.666 -8.886 1.00 4.14 N ATOM 0 H LYS A 39 0.946 9.122 -2.627 1.00 21.23 H new ATOM 0 HA LYS A 39 -1.251 10.174 -3.994 1.00 11.02 H new ATOM 0 HB2 LYS A 39 1.254 10.816 -4.063 1.00 0.53 H new ATOM 0 HB3 LYS A 39 1.449 9.518 -5.224 1.00 0.53 H new ATOM 0 HG2 LYS A 39 -0.821 11.101 -6.037 1.00 40.55 H new ATOM 0 HG3 LYS A 39 0.492 12.201 -5.667 1.00 40.55 H new ATOM 0 HD2 LYS A 39 1.099 9.836 -7.427 1.00 70.31 H new ATOM 0 HD3 LYS A 39 0.166 11.153 -8.109 1.00 70.31 H new ATOM 0 HE2 LYS A 39 1.967 12.746 -7.230 1.00 32.34 H new ATOM 0 HE3 LYS A 39 2.922 11.333 -6.828 1.00 32.34 H new ATOM 0 HZ1 LYS A 39 3.542 12.234 -8.950 1.00 4.14 H new ATOM 0 HZ2 LYS A 39 2.883 10.681 -9.147 1.00 4.14 H new ATOM 0 HZ3 LYS A 39 1.959 12.051 -9.536 1.00 4.14 H new ATOM 649 N ILE A 40 -1.744 8.756 -6.100 1.00 11.10 N ATOM 650 CA ILE A 40 -2.326 7.881 -7.102 1.00 33.34 C ATOM 651 C ILE A 40 -1.190 7.297 -7.948 1.00 31.24 C ATOM 652 O ILE A 40 -0.220 7.993 -8.237 1.00 43.00 O ATOM 653 CB ILE A 40 -3.330 8.694 -7.927 1.00 3.45 C ATOM 654 CG1 ILE A 40 -4.032 7.786 -8.953 1.00 23.45 C ATOM 655 CG2 ILE A 40 -2.744 9.953 -8.591 1.00 42.10 C ATOM 656 CD1 ILE A 40 -5.490 8.197 -9.087 1.00 2.05 C ATOM 0 H ILE A 40 -1.990 9.736 -6.241 1.00 11.10 H new ATOM 0 HA ILE A 40 -2.867 7.046 -6.657 1.00 33.34 H new ATOM 0 HB ILE A 40 -4.064 9.077 -7.218 1.00 3.45 H new ATOM 0 HG12 ILE A 40 -3.533 7.859 -9.919 1.00 23.45 H new ATOM 0 HG13 ILE A 40 -3.965 6.745 -8.638 1.00 23.45 H new ATOM 0 HG21 ILE A 40 -3.525 10.465 -9.153 1.00 42.10 H new ATOM 0 HG22 ILE A 40 -2.353 10.621 -7.823 1.00 42.10 H new ATOM 0 HG23 ILE A 40 -1.939 9.666 -9.267 1.00 42.10 H new ATOM 0 HD11 ILE A 40 -5.984 7.553 -9.814 1.00 2.05 H new ATOM 0 HD12 ILE A 40 -5.985 8.101 -8.121 1.00 2.05 H new ATOM 0 HD13 ILE A 40 -5.547 9.233 -9.422 1.00 2.05 H new ATOM 668 N GLY A 41 -1.267 6.014 -8.297 1.00 40.14 N ATOM 669 CA GLY A 41 -0.247 5.367 -9.115 1.00 51.05 C ATOM 670 C GLY A 41 1.159 5.406 -8.535 1.00 43.24 C ATOM 671 O GLY A 41 2.097 5.179 -9.286 1.00 1.31 O ATOM 0 H GLY A 41 -2.033 5.399 -8.022 1.00 40.14 H new ATOM 0 HA2 GLY A 41 -0.532 4.326 -9.269 1.00 51.05 H new ATOM 0 HA3 GLY A 41 -0.233 5.842 -10.096 1.00 51.05 H new ATOM 675 N ILE A 42 1.326 5.639 -7.228 1.00 53.55 N ATOM 676 CA ILE A 42 2.630 5.716 -6.587 1.00 34.05 C ATOM 677 C ILE A 42 3.507 4.504 -6.902 1.00 4.14 C ATOM 678 O ILE A 42 4.724 4.657 -6.945 1.00 21.25 O ATOM 679 CB ILE A 42 2.476 5.997 -5.076 1.00 71.23 C ATOM 680 CG1 ILE A 42 3.843 6.386 -4.481 1.00 32.34 C ATOM 681 CG2 ILE A 42 1.828 4.814 -4.327 1.00 3.24 C ATOM 682 CD1 ILE A 42 3.759 7.103 -3.131 1.00 21.12 C ATOM 0 H ILE A 42 0.547 5.780 -6.585 1.00 53.55 H new ATOM 0 HA ILE A 42 3.169 6.563 -7.010 1.00 34.05 H new ATOM 0 HB ILE A 42 1.793 6.836 -4.947 1.00 71.23 H new ATOM 0 HG12 ILE A 42 4.445 5.485 -4.364 1.00 32.34 H new ATOM 0 HG13 ILE A 42 4.365 7.029 -5.189 1.00 32.34 H new ATOM 0 HG21 ILE A 42 1.740 5.058 -3.268 1.00 3.24 H new ATOM 0 HG22 ILE A 42 0.837 4.622 -4.738 1.00 3.24 H new ATOM 0 HG23 ILE A 42 2.448 3.925 -4.445 1.00 3.24 H new ATOM 0 HD11 ILE A 42 4.764 7.341 -2.783 1.00 21.12 H new ATOM 0 HD12 ILE A 42 3.186 8.023 -3.243 1.00 21.12 H new ATOM 0 HD13 ILE A 42 3.267 6.455 -2.405 1.00 21.12 H new ATOM 694 N PHE A 43 2.935 3.305 -7.106 1.00 54.43 N ATOM 695 CA PHE A 43 3.747 2.142 -7.431 1.00 31.52 C ATOM 696 C PHE A 43 4.489 2.387 -8.741 1.00 32.52 C ATOM 697 O PHE A 43 5.635 1.988 -8.850 1.00 74.33 O ATOM 698 CB PHE A 43 2.909 0.853 -7.534 1.00 51.14 C ATOM 699 CG PHE A 43 3.373 -0.101 -8.632 1.00 55.21 C ATOM 700 CD1 PHE A 43 2.717 -0.073 -9.878 1.00 32.02 C ATOM 701 CD2 PHE A 43 4.504 -0.928 -8.464 1.00 54.40 C ATOM 702 CE1 PHE A 43 3.203 -0.838 -10.952 1.00 3.44 C ATOM 703 CE2 PHE A 43 4.985 -1.695 -9.539 1.00 32.15 C ATOM 704 CZ PHE A 43 4.351 -1.629 -10.790 1.00 72.12 C ATOM 0 H PHE A 43 1.932 3.127 -7.051 1.00 54.43 H new ATOM 0 HA PHE A 43 4.459 1.999 -6.618 1.00 31.52 H new ATOM 0 HB2 PHE A 43 2.942 0.333 -6.577 1.00 51.14 H new ATOM 0 HB3 PHE A 43 1.868 1.122 -7.716 1.00 51.14 H new ATOM 0 HD1 PHE A 43 1.837 0.539 -10.009 1.00 32.02 H new ATOM 0 HD2 PHE A 43 5.002 -0.972 -7.506 1.00 54.40 H new ATOM 0 HE1 PHE A 43 2.692 -0.817 -11.903 1.00 3.44 H new ATOM 0 HE2 PHE A 43 5.843 -2.336 -9.403 1.00 32.15 H new ATOM 0 HZ PHE A 43 4.746 -2.186 -11.627 1.00 72.12 H new ATOM 714 N ASP A 44 3.834 2.992 -9.727 1.00 71.25 N ATOM 715 CA ASP A 44 4.399 3.261 -11.043 1.00 64.03 C ATOM 716 C ASP A 44 5.612 4.183 -10.984 1.00 51.32 C ATOM 717 O ASP A 44 6.421 4.214 -11.908 1.00 33.13 O ATOM 718 CB ASP A 44 3.301 3.817 -11.953 1.00 44.31 C ATOM 719 CG ASP A 44 3.433 3.334 -13.391 1.00 0.04 C ATOM 720 OD1 ASP A 44 3.691 2.126 -13.611 1.00 42.53 O ATOM 721 OD2 ASP A 44 3.039 4.080 -14.314 1.00 30.41 O ATOM 0 H ASP A 44 2.872 3.316 -9.630 1.00 71.25 H new ATOM 0 HA ASP A 44 4.769 2.324 -11.458 1.00 64.03 H new ATOM 0 HB2 ASP A 44 2.327 3.523 -11.563 1.00 44.31 H new ATOM 0 HB3 ASP A 44 3.336 4.906 -11.935 1.00 44.31 H new ATOM 726 N ASP A 45 5.657 5.051 -9.978 1.00 72.15 N ATOM 727 CA ASP A 45 6.750 5.977 -9.726 1.00 75.41 C ATOM 728 C ASP A 45 7.898 5.244 -9.020 1.00 0.03 C ATOM 729 O ASP A 45 9.071 5.306 -9.376 1.00 55.33 O ATOM 730 CB ASP A 45 6.208 7.129 -8.877 1.00 40.41 C ATOM 731 CG ASP A 45 5.057 7.845 -9.579 1.00 50.31 C ATOM 732 OD1 ASP A 45 3.968 7.980 -8.976 1.00 42.41 O ATOM 733 OD2 ASP A 45 5.210 8.256 -10.754 1.00 31.13 O ATOM 0 H ASP A 45 4.905 5.130 -9.293 1.00 72.15 H new ATOM 0 HA ASP A 45 7.146 6.378 -10.659 1.00 75.41 H new ATOM 0 HB2 ASP A 45 5.867 6.745 -7.915 1.00 40.41 H new ATOM 0 HB3 ASP A 45 7.009 7.839 -8.671 1.00 40.41 H new ATOM 738 N LEU A 46 7.520 4.524 -7.972 1.00 20.44 N ATOM 739 CA LEU A 46 8.308 3.726 -7.046 1.00 62.45 C ATOM 740 C LEU A 46 9.035 2.562 -7.707 1.00 63.43 C ATOM 741 O LEU A 46 10.164 2.232 -7.336 1.00 40.31 O ATOM 742 CB LEU A 46 7.314 3.229 -5.987 1.00 1.33 C ATOM 743 CG LEU A 46 7.736 2.008 -5.175 1.00 1.54 C ATOM 744 CD1 LEU A 46 8.976 2.274 -4.326 1.00 34.32 C ATOM 745 CD2 LEU A 46 6.564 1.564 -4.308 1.00 51.02 C ATOM 0 H LEU A 46 6.532 4.482 -7.722 1.00 20.44 H new ATOM 0 HA LEU A 46 9.107 4.331 -6.619 1.00 62.45 H new ATOM 0 HB2 LEU A 46 7.116 4.047 -5.294 1.00 1.33 H new ATOM 0 HB3 LEU A 46 6.372 2.998 -6.485 1.00 1.33 H new ATOM 0 HG LEU A 46 8.008 1.211 -5.867 1.00 1.54 H new ATOM 0 HD11 LEU A 46 9.235 1.374 -3.768 1.00 34.32 H new ATOM 0 HD12 LEU A 46 9.808 2.551 -4.974 1.00 34.32 H new ATOM 0 HD13 LEU A 46 8.772 3.087 -3.629 1.00 34.32 H new ATOM 0 HD21 LEU A 46 6.854 0.691 -3.723 1.00 51.02 H new ATOM 0 HD22 LEU A 46 6.281 2.374 -3.636 1.00 51.02 H new ATOM 0 HD23 LEU A 46 5.717 1.309 -4.944 1.00 51.02 H new ATOM 757 N ILE A 47 8.387 1.925 -8.674 1.00 34.34 N ATOM 758 CA ILE A 47 8.908 0.784 -9.420 1.00 31.24 C ATOM 759 C ILE A 47 10.232 1.178 -10.068 1.00 40.45 C ATOM 760 O ILE A 47 11.104 0.326 -10.222 1.00 60.03 O ATOM 761 CB ILE A 47 7.861 0.353 -10.476 1.00 23.54 C ATOM 762 CG1 ILE A 47 7.986 -1.081 -11.023 1.00 75.01 C ATOM 763 CG2 ILE A 47 7.735 1.398 -11.594 1.00 33.10 C ATOM 764 CD1 ILE A 47 9.074 -1.364 -12.053 1.00 3.10 C ATOM 0 H ILE A 47 7.450 2.198 -8.972 1.00 34.34 H new ATOM 0 HA ILE A 47 9.092 -0.062 -8.758 1.00 31.24 H new ATOM 0 HB ILE A 47 6.925 0.315 -9.920 1.00 23.54 H new ATOM 0 HG12 ILE A 47 8.147 -1.748 -10.176 1.00 75.01 H new ATOM 0 HG13 ILE A 47 7.028 -1.354 -11.466 1.00 75.01 H new ATOM 0 HG21 ILE A 47 6.992 1.067 -12.320 1.00 33.10 H new ATOM 0 HG22 ILE A 47 7.425 2.352 -11.167 1.00 33.10 H new ATOM 0 HG23 ILE A 47 8.698 1.518 -12.090 1.00 33.10 H new ATOM 0 HD11 ILE A 47 9.037 -2.414 -12.342 1.00 3.10 H new ATOM 0 HD12 ILE A 47 8.914 -0.740 -12.932 1.00 3.10 H new ATOM 0 HD13 ILE A 47 10.050 -1.141 -11.622 1.00 3.10 H new ATOM 776 N ASP A 48 10.422 2.461 -10.399 1.00 21.33 N ATOM 777 CA ASP A 48 11.664 2.863 -11.047 1.00 45.00 C ATOM 778 C ASP A 48 12.872 2.671 -10.135 1.00 40.11 C ATOM 779 O ASP A 48 13.967 2.373 -10.604 1.00 3.11 O ATOM 780 CB ASP A 48 11.573 4.256 -11.668 1.00 63.41 C ATOM 781 CG ASP A 48 11.312 4.099 -13.161 1.00 41.13 C ATOM 782 OD1 ASP A 48 12.273 3.822 -13.918 1.00 22.31 O ATOM 783 OD2 ASP A 48 10.126 4.187 -13.558 1.00 14.51 O ATOM 0 H ASP A 48 9.753 3.213 -10.234 1.00 21.33 H new ATOM 0 HA ASP A 48 11.823 2.188 -11.888 1.00 45.00 H new ATOM 0 HB2 ASP A 48 10.772 4.828 -11.201 1.00 63.41 H new ATOM 0 HB3 ASP A 48 12.498 4.808 -11.500 1.00 63.41 H new ATOM 788 N PHE A 49 12.684 2.769 -8.815 1.00 12.33 N ATOM 789 CA PHE A 49 13.786 2.562 -7.888 1.00 70.55 C ATOM 790 C PHE A 49 14.135 1.065 -7.855 1.00 74.23 C ATOM 791 O PHE A 49 15.266 0.692 -7.541 1.00 52.22 O ATOM 792 CB PHE A 49 13.476 3.128 -6.501 1.00 61.35 C ATOM 793 CG PHE A 49 14.673 3.554 -5.655 1.00 14.42 C ATOM 794 CD1 PHE A 49 14.417 4.080 -4.378 1.00 23.24 C ATOM 795 CD2 PHE A 49 16.010 3.510 -6.114 1.00 41.11 C ATOM 796 CE1 PHE A 49 15.463 4.574 -3.582 1.00 1.01 C ATOM 797 CE2 PHE A 49 17.056 4.016 -5.323 1.00 11.40 C ATOM 798 CZ PHE A 49 16.782 4.561 -4.058 1.00 23.04 C ATOM 0 H PHE A 49 11.790 2.987 -8.375 1.00 12.33 H new ATOM 0 HA PHE A 49 14.660 3.112 -8.235 1.00 70.55 H new ATOM 0 HB2 PHE A 49 12.821 3.990 -6.623 1.00 61.35 H new ATOM 0 HB3 PHE A 49 12.915 2.378 -5.944 1.00 61.35 H new ATOM 0 HD1 PHE A 49 13.404 4.105 -4.004 1.00 23.24 H new ATOM 0 HD2 PHE A 49 16.229 3.083 -7.082 1.00 41.11 H new ATOM 0 HE1 PHE A 49 15.251 4.966 -2.598 1.00 1.01 H new ATOM 0 HE2 PHE A 49 18.072 3.986 -5.689 1.00 11.40 H new ATOM 0 HZ PHE A 49 17.581 4.967 -3.456 1.00 23.04 H new ATOM 808 N TYR A 50 13.149 0.186 -8.073 1.00 5.11 N ATOM 809 CA TYR A 50 13.346 -1.255 -8.125 1.00 70.25 C ATOM 810 C TYR A 50 14.088 -1.570 -9.434 1.00 55.44 C ATOM 811 O TYR A 50 14.899 -2.492 -9.468 1.00 74.11 O ATOM 812 CB TYR A 50 12.001 -1.991 -8.024 1.00 35.43 C ATOM 813 CG TYR A 50 11.986 -3.377 -8.626 1.00 33.31 C ATOM 814 CD1 TYR A 50 12.258 -4.502 -7.827 1.00 74.21 C ATOM 815 CD2 TYR A 50 11.746 -3.528 -10.005 1.00 3.50 C ATOM 816 CE1 TYR A 50 12.272 -5.780 -8.410 1.00 42.01 C ATOM 817 CE2 TYR A 50 11.771 -4.801 -10.592 1.00 44.12 C ATOM 818 CZ TYR A 50 12.021 -5.934 -9.795 1.00 44.41 C ATOM 819 OH TYR A 50 11.991 -7.168 -10.362 1.00 5.01 O ATOM 0 H TYR A 50 12.180 0.468 -8.220 1.00 5.11 H new ATOM 0 HA TYR A 50 13.941 -1.600 -7.280 1.00 70.25 H new ATOM 0 HB2 TYR A 50 11.722 -2.064 -6.973 1.00 35.43 H new ATOM 0 HB3 TYR A 50 11.237 -1.389 -8.515 1.00 35.43 H new ATOM 0 HD1 TYR A 50 12.455 -4.384 -6.772 1.00 74.21 H new ATOM 0 HD2 TYR A 50 11.542 -2.659 -10.613 1.00 3.50 H new ATOM 0 HE1 TYR A 50 12.475 -6.648 -7.800 1.00 42.01 H new ATOM 0 HE2 TYR A 50 11.599 -4.912 -11.652 1.00 44.12 H new ATOM 0 HH TYR A 50 12.083 -7.851 -9.665 1.00 5.01 H new ATOM 829 N GLU A 51 13.859 -0.796 -10.503 1.00 53.13 N ATOM 830 CA GLU A 51 14.534 -0.999 -11.787 1.00 45.43 C ATOM 831 C GLU A 51 16.035 -0.720 -11.613 1.00 10.24 C ATOM 832 O GLU A 51 16.855 -1.196 -12.398 1.00 12.12 O ATOM 833 CB GLU A 51 13.963 -0.096 -12.896 1.00 55.21 C ATOM 834 CG GLU A 51 12.470 -0.346 -13.139 1.00 12.32 C ATOM 835 CD GLU A 51 12.179 -1.228 -14.340 1.00 43.23 C ATOM 836 OE1 GLU A 51 11.468 -0.789 -15.272 1.00 12.34 O ATOM 837 OE2 GLU A 51 12.528 -2.427 -14.325 1.00 44.00 O ATOM 0 H GLU A 51 13.203 -0.015 -10.500 1.00 53.13 H new ATOM 0 HA GLU A 51 14.369 -2.032 -12.094 1.00 45.43 H new ATOM 0 HB2 GLU A 51 14.115 0.949 -12.625 1.00 55.21 H new ATOM 0 HB3 GLU A 51 14.513 -0.268 -13.821 1.00 55.21 H new ATOM 0 HG2 GLU A 51 12.040 -0.807 -12.250 1.00 12.32 H new ATOM 0 HG3 GLU A 51 11.969 0.612 -13.275 1.00 12.32 H new ATOM 844 N ARG A 52 16.413 0.027 -10.569 1.00 12.30 N ATOM 845 CA ARG A 52 17.788 0.377 -10.255 1.00 42.04 C ATOM 846 C ARG A 52 18.544 -0.819 -9.680 1.00 30.31 C ATOM 847 O ARG A 52 19.774 -0.829 -9.749 1.00 42.21 O ATOM 848 CB ARG A 52 17.787 1.523 -9.222 1.00 72.24 C ATOM 849 CG ARG A 52 18.916 2.525 -9.474 1.00 0.21 C ATOM 850 CD ARG A 52 18.510 3.505 -10.586 1.00 51.12 C ATOM 851 NE ARG A 52 19.554 3.676 -11.603 1.00 13.13 N ATOM 852 CZ ARG A 52 20.707 4.337 -11.471 1.00 11.14 C ATOM 853 NH1 ARG A 52 21.104 4.810 -10.293 1.00 72.11 N ATOM 854 NH2 ARG A 52 21.453 4.529 -12.551 1.00 31.55 N ATOM 0 H ARG A 52 15.743 0.413 -9.903 1.00 12.30 H new ATOM 0 HA ARG A 52 18.288 0.688 -11.173 1.00 42.04 H new ATOM 0 HB2 ARG A 52 16.829 2.041 -9.257 1.00 72.24 H new ATOM 0 HB3 ARG A 52 17.889 1.107 -8.220 1.00 72.24 H new ATOM 0 HG2 ARG A 52 19.138 3.073 -8.558 1.00 0.21 H new ATOM 0 HG3 ARG A 52 19.826 1.996 -9.758 1.00 0.21 H new ATOM 0 HD2 ARG A 52 17.598 3.147 -11.064 1.00 51.12 H new ATOM 0 HD3 ARG A 52 18.278 4.474 -10.143 1.00 51.12 H new ATOM 0 HE ARG A 52 19.380 3.243 -12.510 1.00 13.13 H new ATOM 0 HH11 ARG A 52 20.524 4.671 -9.466 1.00 72.11 H new ATOM 0 HH12 ARG A 52 21.989 5.312 -10.217 1.00 72.11 H new ATOM 0 HH21 ARG A 52 21.142 4.175 -13.455 1.00 31.55 H new ATOM 0 HH22 ARG A 52 22.338 5.031 -12.477 1.00 31.55 H new ATOM 868 N LEU A 53 17.866 -1.808 -9.091 1.00 52.21 N ATOM 869 CA LEU A 53 18.501 -2.981 -8.511 1.00 52.21 C ATOM 870 C LEU A 53 19.127 -3.811 -9.620 1.00 55.33 C ATOM 871 O LEU A 53 18.445 -4.284 -10.532 1.00 4.11 O ATOM 872 CB LEU A 53 17.501 -3.798 -7.679 1.00 73.11 C ATOM 873 CG LEU A 53 16.629 -2.925 -6.753 1.00 23.43 C ATOM 874 CD1 LEU A 53 15.646 -3.772 -5.943 1.00 73.44 C ATOM 875 CD2 LEU A 53 17.457 -2.008 -5.854 1.00 21.31 C ATOM 0 H LEU A 53 16.850 -1.811 -9.006 1.00 52.21 H new ATOM 0 HA LEU A 53 19.289 -2.665 -7.827 1.00 52.21 H new ATOM 0 HB2 LEU A 53 16.855 -4.363 -8.351 1.00 73.11 H new ATOM 0 HB3 LEU A 53 18.047 -4.524 -7.076 1.00 73.11 H new ATOM 0 HG LEU A 53 16.046 -2.273 -7.403 1.00 23.43 H new ATOM 0 HD11 LEU A 53 15.049 -3.123 -5.302 1.00 73.44 H new ATOM 0 HD12 LEU A 53 14.989 -4.316 -6.622 1.00 73.44 H new ATOM 0 HD13 LEU A 53 16.199 -4.481 -5.327 1.00 73.44 H new ATOM 0 HD21 LEU A 53 16.791 -1.418 -5.225 1.00 21.31 H new ATOM 0 HD22 LEU A 53 18.112 -2.610 -5.225 1.00 21.31 H new ATOM 0 HD23 LEU A 53 18.059 -1.341 -6.471 1.00 21.31 H new ATOM 887 N ASP A 54 20.445 -3.948 -9.546 1.00 3.05 N ATOM 888 CA ASP A 54 21.263 -4.712 -10.486 1.00 25.31 C ATOM 889 C ASP A 54 20.951 -6.203 -10.316 1.00 23.41 C ATOM 890 O ASP A 54 21.108 -7.000 -11.236 1.00 42.12 O ATOM 891 CB ASP A 54 22.750 -4.426 -10.205 1.00 71.31 C ATOM 892 CG ASP A 54 23.674 -4.713 -11.393 1.00 73.14 C ATOM 893 OD1 ASP A 54 24.301 -3.747 -11.888 1.00 44.23 O ATOM 894 OD2 ASP A 54 23.792 -5.856 -11.875 1.00 1.11 O ATOM 0 H ASP A 54 20.995 -3.516 -8.804 1.00 3.05 H new ATOM 0 HA ASP A 54 21.041 -4.422 -11.513 1.00 25.31 H new ATOM 0 HB2 ASP A 54 22.860 -3.381 -9.916 1.00 71.31 H new ATOM 0 HB3 ASP A 54 23.071 -5.027 -9.354 1.00 71.31 H new ATOM 899 N THR A 55 20.459 -6.586 -9.137 1.00 64.41 N ATOM 900 CA THR A 55 20.091 -7.932 -8.723 1.00 11.14 C ATOM 901 C THR A 55 18.749 -7.861 -7.984 1.00 61.23 C ATOM 902 O THR A 55 18.721 -7.849 -6.751 1.00 22.21 O ATOM 903 CB THR A 55 21.226 -8.514 -7.855 1.00 52.31 C ATOM 904 OG1 THR A 55 21.519 -7.599 -6.811 1.00 42.11 O ATOM 905 CG2 THR A 55 22.522 -8.766 -8.628 1.00 13.24 C ATOM 0 H THR A 55 20.297 -5.908 -8.393 1.00 64.41 H new ATOM 0 HA THR A 55 19.964 -8.599 -9.576 1.00 11.14 H new ATOM 0 HB THR A 55 20.870 -9.475 -7.483 1.00 52.31 H new ATOM 0 HG1 THR A 55 20.683 -7.283 -6.409 1.00 42.11 H new ATOM 0 HG21 THR A 55 23.274 -9.175 -7.954 1.00 13.24 H new ATOM 0 HG22 THR A 55 22.333 -9.475 -9.434 1.00 13.24 H new ATOM 0 HG23 THR A 55 22.883 -7.827 -9.048 1.00 13.24 H new ATOM 913 N PRO A 56 17.630 -7.745 -8.714 1.00 64.22 N ATOM 914 CA PRO A 56 16.311 -7.680 -8.113 1.00 42.33 C ATOM 915 C PRO A 56 15.899 -9.084 -7.624 1.00 4.34 C ATOM 916 O PRO A 56 15.745 -9.975 -8.461 1.00 32.52 O ATOM 917 CB PRO A 56 15.404 -7.184 -9.236 1.00 70.22 C ATOM 918 CG PRO A 56 16.079 -7.610 -10.536 1.00 61.11 C ATOM 919 CD PRO A 56 17.554 -7.733 -10.170 1.00 75.24 C ATOM 0 HA PRO A 56 16.261 -7.023 -7.245 1.00 42.33 H new ATOM 0 HB2 PRO A 56 14.407 -7.617 -9.153 1.00 70.22 H new ATOM 0 HB3 PRO A 56 15.286 -6.101 -9.194 1.00 70.22 H new ATOM 0 HG2 PRO A 56 15.679 -8.556 -10.901 1.00 61.11 H new ATOM 0 HG3 PRO A 56 15.925 -6.874 -11.325 1.00 61.11 H new ATOM 0 HD2 PRO A 56 17.980 -8.646 -10.586 1.00 75.24 H new ATOM 0 HD3 PRO A 56 18.124 -6.899 -10.580 1.00 75.24 H new ATOM 927 N PRO A 57 15.666 -9.319 -6.319 1.00 23.21 N ATOM 928 CA PRO A 57 15.283 -10.642 -5.821 1.00 73.20 C ATOM 929 C PRO A 57 13.870 -11.054 -6.264 1.00 54.13 C ATOM 930 O PRO A 57 13.634 -12.210 -6.625 1.00 3.04 O ATOM 931 CB PRO A 57 15.399 -10.545 -4.297 1.00 32.05 C ATOM 932 CG PRO A 57 15.219 -9.061 -3.995 1.00 34.15 C ATOM 933 CD PRO A 57 15.810 -8.372 -5.221 1.00 22.10 C ATOM 0 HA PRO A 57 15.930 -11.419 -6.229 1.00 73.20 H new ATOM 0 HB2 PRO A 57 14.637 -11.146 -3.802 1.00 32.05 H new ATOM 0 HB3 PRO A 57 16.366 -10.907 -3.949 1.00 32.05 H new ATOM 0 HG2 PRO A 57 14.169 -8.804 -3.858 1.00 34.15 H new ATOM 0 HG3 PRO A 57 15.740 -8.771 -3.082 1.00 34.15 H new ATOM 0 HD2 PRO A 57 15.286 -7.441 -5.437 1.00 22.10 H new ATOM 0 HD3 PRO A 57 16.858 -8.118 -5.059 1.00 22.10 H new ATOM 941 N PHE A 58 12.897 -10.148 -6.132 1.00 64.04 N ATOM 942 CA PHE A 58 11.497 -10.334 -6.511 1.00 41.02 C ATOM 943 C PHE A 58 11.197 -9.640 -7.844 1.00 42.31 C ATOM 944 O PHE A 58 12.064 -8.969 -8.413 1.00 12.24 O ATOM 945 CB PHE A 58 10.596 -9.832 -5.373 1.00 22.01 C ATOM 946 CG PHE A 58 10.382 -10.867 -4.290 1.00 40.03 C ATOM 947 CD1 PHE A 58 9.197 -11.627 -4.271 1.00 43.42 C ATOM 948 CD2 PHE A 58 11.377 -11.098 -3.323 1.00 41.31 C ATOM 949 CE1 PHE A 58 9.007 -12.612 -3.289 1.00 31.01 C ATOM 950 CE2 PHE A 58 11.188 -12.092 -2.350 1.00 22.30 C ATOM 951 CZ PHE A 58 10.009 -12.848 -2.334 1.00 20.40 C ATOM 0 H PHE A 58 13.074 -9.223 -5.740 1.00 64.04 H new ATOM 0 HA PHE A 58 11.292 -11.394 -6.663 1.00 41.02 H new ATOM 0 HB2 PHE A 58 11.039 -8.939 -4.932 1.00 22.01 H new ATOM 0 HB3 PHE A 58 9.630 -9.539 -5.784 1.00 22.01 H new ATOM 0 HD1 PHE A 58 8.433 -11.452 -5.013 1.00 43.42 H new ATOM 0 HD2 PHE A 58 12.284 -10.512 -3.329 1.00 41.31 H new ATOM 0 HE1 PHE A 58 8.093 -13.187 -3.268 1.00 31.01 H new ATOM 0 HE2 PHE A 58 11.954 -12.274 -1.611 1.00 22.30 H new ATOM 0 HZ PHE A 58 9.870 -13.614 -1.586 1.00 20.40 H new ATOM 961 N SER A 59 10.011 -9.880 -8.405 1.00 11.12 N ATOM 962 CA SER A 59 9.533 -9.270 -9.641 1.00 0.42 C ATOM 963 C SER A 59 8.766 -7.976 -9.338 1.00 33.24 C ATOM 964 O SER A 59 8.070 -7.872 -8.324 1.00 3.02 O ATOM 965 CB SER A 59 8.627 -10.257 -10.392 1.00 0.34 C ATOM 966 OG SER A 59 7.483 -10.631 -9.640 1.00 22.34 O ATOM 0 H SER A 59 9.336 -10.526 -7.996 1.00 11.12 H new ATOM 0 HA SER A 59 10.391 -9.025 -10.267 1.00 0.42 H new ATOM 0 HB2 SER A 59 8.308 -9.808 -11.332 1.00 0.34 H new ATOM 0 HB3 SER A 59 9.199 -11.150 -10.644 1.00 0.34 H new ATOM 0 HG SER A 59 6.939 -11.258 -10.162 1.00 22.34 H new ATOM 972 N LYS A 60 8.780 -7.029 -10.283 1.00 23.33 N ATOM 973 CA LYS A 60 8.043 -5.754 -10.215 1.00 23.10 C ATOM 974 C LYS A 60 6.550 -6.075 -10.023 1.00 11.13 C ATOM 975 O LYS A 60 5.806 -5.303 -9.413 1.00 40.33 O ATOM 976 CB LYS A 60 8.312 -4.906 -11.483 1.00 43.25 C ATOM 977 CG LYS A 60 8.475 -5.725 -12.783 1.00 14.44 C ATOM 978 CD LYS A 60 8.646 -4.910 -14.073 1.00 73.32 C ATOM 979 CE LYS A 60 9.991 -4.176 -14.189 1.00 12.53 C ATOM 980 NZ LYS A 60 10.078 -3.322 -15.396 1.00 54.42 N ATOM 0 H LYS A 60 9.319 -7.128 -11.143 1.00 23.33 H new ATOM 0 HA LYS A 60 8.381 -5.154 -9.370 1.00 23.10 H new ATOM 0 HB2 LYS A 60 7.491 -4.202 -11.614 1.00 43.25 H new ATOM 0 HB3 LYS A 60 9.215 -4.317 -11.325 1.00 43.25 H new ATOM 0 HG2 LYS A 60 9.340 -6.378 -12.672 1.00 14.44 H new ATOM 0 HG3 LYS A 60 7.602 -6.368 -12.896 1.00 14.44 H new ATOM 0 HD2 LYS A 60 8.536 -5.578 -14.927 1.00 73.32 H new ATOM 0 HD3 LYS A 60 7.841 -4.178 -14.135 1.00 73.32 H new ATOM 0 HE2 LYS A 60 10.141 -3.560 -13.302 1.00 12.53 H new ATOM 0 HE3 LYS A 60 10.798 -4.908 -14.209 1.00 12.53 H new ATOM 0 HZ1 LYS A 60 11.073 -3.084 -15.582 1.00 54.42 H new ATOM 0 HZ2 LYS A 60 9.686 -3.834 -16.212 1.00 54.42 H new ATOM 0 HZ3 LYS A 60 9.536 -2.448 -15.242 1.00 54.42 H new ATOM 994 N LYS A 61 6.099 -7.219 -10.551 1.00 41.03 N ATOM 995 CA LYS A 61 4.733 -7.701 -10.444 1.00 70.41 C ATOM 996 C LYS A 61 4.421 -8.025 -8.981 1.00 4.40 C ATOM 997 O LYS A 61 3.432 -7.523 -8.452 1.00 63.11 O ATOM 998 CB LYS A 61 4.547 -8.912 -11.379 1.00 3.53 C ATOM 999 CG LYS A 61 3.087 -9.131 -11.802 1.00 51.34 C ATOM 1000 CD LYS A 61 2.604 -8.034 -12.765 1.00 35.23 C ATOM 1001 CE LYS A 61 1.281 -8.442 -13.414 1.00 43.42 C ATOM 1002 NZ LYS A 61 0.826 -7.445 -14.404 1.00 13.23 N ATOM 0 H LYS A 61 6.701 -7.849 -11.080 1.00 41.03 H new ATOM 0 HA LYS A 61 4.025 -6.936 -10.761 1.00 70.41 H new ATOM 0 HB2 LYS A 61 5.160 -8.773 -12.270 1.00 3.53 H new ATOM 0 HB3 LYS A 61 4.912 -9.809 -10.878 1.00 3.53 H new ATOM 0 HG2 LYS A 61 2.989 -10.105 -12.281 1.00 51.34 H new ATOM 0 HG3 LYS A 61 2.450 -9.145 -10.918 1.00 51.34 H new ATOM 0 HD2 LYS A 61 2.478 -7.096 -12.224 1.00 35.23 H new ATOM 0 HD3 LYS A 61 3.356 -7.859 -13.535 1.00 35.23 H new ATOM 0 HE2 LYS A 61 1.398 -9.410 -13.901 1.00 43.42 H new ATOM 0 HE3 LYS A 61 0.520 -8.563 -12.643 1.00 43.42 H new ATOM 0 HZ1 LYS A 61 -0.074 -7.757 -14.822 1.00 13.23 H new ATOM 0 HZ2 LYS A 61 0.690 -6.527 -13.935 1.00 13.23 H new ATOM 0 HZ3 LYS A 61 1.541 -7.348 -15.153 1.00 13.23 H new ATOM 1016 N SER A 62 5.254 -8.839 -8.316 1.00 13.12 N ATOM 1017 CA SER A 62 5.051 -9.218 -6.923 1.00 14.23 C ATOM 1018 C SER A 62 5.076 -7.974 -6.033 1.00 52.54 C ATOM 1019 O SER A 62 4.246 -7.867 -5.133 1.00 50.34 O ATOM 1020 CB SER A 62 6.110 -10.255 -6.525 1.00 44.12 C ATOM 1021 OG SER A 62 5.736 -10.999 -5.380 1.00 42.13 O ATOM 0 H SER A 62 6.087 -9.250 -8.736 1.00 13.12 H new ATOM 0 HA SER A 62 4.072 -9.678 -6.791 1.00 14.23 H new ATOM 0 HB2 SER A 62 6.278 -10.937 -7.359 1.00 44.12 H new ATOM 0 HB3 SER A 62 7.056 -9.748 -6.332 1.00 44.12 H new ATOM 0 HG SER A 62 6.440 -11.647 -5.166 1.00 42.13 H new ATOM 1027 N LEU A 63 5.970 -7.017 -6.322 1.00 13.42 N ATOM 1028 CA LEU A 63 6.099 -5.767 -5.576 1.00 43.43 C ATOM 1029 C LEU A 63 4.744 -5.057 -5.519 1.00 62.31 C ATOM 1030 O LEU A 63 4.249 -4.758 -4.435 1.00 14.25 O ATOM 1031 CB LEU A 63 7.216 -4.909 -6.198 1.00 30.22 C ATOM 1032 CG LEU A 63 7.525 -3.621 -5.402 1.00 62.24 C ATOM 1033 CD1 LEU A 63 9.036 -3.394 -5.305 1.00 22.12 C ATOM 1034 CD2 LEU A 63 6.888 -2.390 -6.058 1.00 13.13 C ATOM 0 H LEU A 63 6.632 -7.096 -7.094 1.00 13.42 H new ATOM 0 HA LEU A 63 6.391 -5.962 -4.544 1.00 43.43 H new ATOM 0 HB2 LEU A 63 8.124 -5.507 -6.271 1.00 30.22 H new ATOM 0 HB3 LEU A 63 6.931 -4.638 -7.214 1.00 30.22 H new ATOM 0 HG LEU A 63 7.104 -3.754 -4.405 1.00 62.24 H new ATOM 0 HD11 LEU A 63 9.231 -2.482 -4.741 1.00 22.12 H new ATOM 0 HD12 LEU A 63 9.499 -4.241 -4.798 1.00 22.12 H new ATOM 0 HD13 LEU A 63 9.454 -3.297 -6.307 1.00 22.12 H new ATOM 0 HD21 LEU A 63 7.125 -1.502 -5.472 1.00 13.13 H new ATOM 0 HD22 LEU A 63 7.279 -2.273 -7.069 1.00 13.13 H new ATOM 0 HD23 LEU A 63 5.806 -2.519 -6.100 1.00 13.13 H new ATOM 1046 N ARG A 64 4.107 -4.829 -6.674 1.00 64.32 N ATOM 1047 CA ARG A 64 2.804 -4.169 -6.738 1.00 75.22 C ATOM 1048 C ARG A 64 1.738 -4.972 -6.009 1.00 30.43 C ATOM 1049 O ARG A 64 1.004 -4.410 -5.195 1.00 1.12 O ATOM 1050 CB ARG A 64 2.381 -3.954 -8.207 1.00 53.35 C ATOM 1051 CG ARG A 64 0.966 -3.379 -8.434 1.00 21.11 C ATOM 1052 CD ARG A 64 0.696 -2.114 -7.616 1.00 34.01 C ATOM 1053 NE ARG A 64 -0.550 -1.427 -7.995 1.00 71.21 N ATOM 1054 CZ ARG A 64 -1.256 -0.624 -7.188 1.00 71.04 C ATOM 1055 NH1 ARG A 64 -0.813 -0.356 -5.961 1.00 43.11 N ATOM 1056 NH2 ARG A 64 -2.399 -0.088 -7.600 1.00 43.22 N ATOM 0 H ARG A 64 4.481 -5.097 -7.585 1.00 64.32 H new ATOM 0 HA ARG A 64 2.900 -3.202 -6.245 1.00 75.22 H new ATOM 0 HB2 ARG A 64 3.102 -3.284 -8.676 1.00 53.35 H new ATOM 0 HB3 ARG A 64 2.449 -4.910 -8.726 1.00 53.35 H new ATOM 0 HG2 ARG A 64 0.837 -3.155 -9.493 1.00 21.11 H new ATOM 0 HG3 ARG A 64 0.226 -4.137 -8.176 1.00 21.11 H new ATOM 0 HD2 ARG A 64 0.650 -2.377 -6.559 1.00 34.01 H new ATOM 0 HD3 ARG A 64 1.533 -1.426 -7.738 1.00 34.01 H new ATOM 0 HE ARG A 64 -0.901 -1.573 -8.941 1.00 71.21 H new ATOM 0 HH11 ARG A 64 0.064 -0.762 -5.635 1.00 43.11 H new ATOM 0 HH12 ARG A 64 -1.351 0.255 -5.347 1.00 43.11 H new ATOM 0 HH21 ARG A 64 -2.746 -0.287 -8.538 1.00 43.22 H new ATOM 0 HH22 ARG A 64 -2.929 0.522 -6.978 1.00 43.22 H new ATOM 1070 N GLU A 65 1.652 -6.270 -6.291 1.00 71.13 N ATOM 1071 CA GLU A 65 0.654 -7.131 -5.679 1.00 63.15 C ATOM 1072 C GLU A 65 0.733 -7.103 -4.152 1.00 43.11 C ATOM 1073 O GLU A 65 -0.302 -7.008 -3.492 1.00 31.04 O ATOM 1074 CB GLU A 65 0.754 -8.559 -6.250 1.00 62.33 C ATOM 1075 CG GLU A 65 -0.633 -9.102 -6.618 1.00 10.02 C ATOM 1076 CD GLU A 65 -1.198 -8.444 -7.881 1.00 15.14 C ATOM 1077 OE1 GLU A 65 -0.970 -8.967 -8.997 1.00 5.53 O ATOM 1078 OE2 GLU A 65 -1.879 -7.396 -7.769 1.00 12.44 O ATOM 0 H GLU A 65 2.270 -6.748 -6.947 1.00 71.13 H new ATOM 0 HA GLU A 65 -0.332 -6.743 -5.933 1.00 63.15 H new ATOM 0 HB2 GLU A 65 1.394 -8.558 -7.132 1.00 62.33 H new ATOM 0 HB3 GLU A 65 1.223 -9.216 -5.517 1.00 62.33 H new ATOM 0 HG2 GLU A 65 -0.571 -10.180 -6.769 1.00 10.02 H new ATOM 0 HG3 GLU A 65 -1.318 -8.936 -5.787 1.00 10.02 H new ATOM 1085 N ALA A 66 1.932 -7.172 -3.569 1.00 73.34 N ATOM 1086 CA ALA A 66 2.083 -7.141 -2.121 1.00 62.25 C ATOM 1087 C ALA A 66 1.679 -5.775 -1.559 1.00 73.22 C ATOM 1088 O ALA A 66 0.953 -5.727 -0.570 1.00 61.42 O ATOM 1089 CB ALA A 66 3.515 -7.483 -1.737 1.00 21.23 C ATOM 0 H ALA A 66 2.810 -7.250 -4.082 1.00 73.34 H new ATOM 0 HA ALA A 66 1.419 -7.889 -1.687 1.00 62.25 H new ATOM 0 HB1 ALA A 66 3.617 -7.457 -0.652 1.00 21.23 H new ATOM 0 HB2 ALA A 66 3.761 -8.481 -2.101 1.00 21.23 H new ATOM 0 HB3 ALA A 66 4.195 -6.757 -2.183 1.00 21.23 H new ATOM 1095 N LEU A 67 2.084 -4.675 -2.206 1.00 42.03 N ATOM 1096 CA LEU A 67 1.764 -3.304 -1.788 1.00 31.02 C ATOM 1097 C LEU A 67 0.240 -3.154 -1.667 1.00 64.00 C ATOM 1098 O LEU A 67 -0.246 -2.514 -0.729 1.00 24.31 O ATOM 1099 CB LEU A 67 2.385 -2.332 -2.817 1.00 45.21 C ATOM 1100 CG LEU A 67 2.813 -0.949 -2.290 1.00 31.11 C ATOM 1101 CD1 LEU A 67 3.601 -0.216 -3.381 1.00 43.00 C ATOM 1102 CD2 LEU A 67 1.639 -0.054 -1.900 1.00 44.53 C ATOM 0 H LEU A 67 2.654 -4.714 -3.051 1.00 42.03 H new ATOM 0 HA LEU A 67 2.182 -3.071 -0.809 1.00 31.02 H new ATOM 0 HB2 LEU A 67 3.258 -2.814 -3.257 1.00 45.21 H new ATOM 0 HB3 LEU A 67 1.665 -2.182 -3.621 1.00 45.21 H new ATOM 0 HG LEU A 67 3.409 -1.136 -1.397 1.00 31.11 H new ATOM 0 HD11 LEU A 67 3.906 0.764 -3.013 1.00 43.00 H new ATOM 0 HD12 LEU A 67 4.485 -0.797 -3.644 1.00 43.00 H new ATOM 0 HD13 LEU A 67 2.973 -0.093 -4.263 1.00 43.00 H new ATOM 0 HD21 LEU A 67 2.015 0.903 -1.538 1.00 44.53 H new ATOM 0 HD22 LEU A 67 1.003 0.112 -2.770 1.00 44.53 H new ATOM 0 HD23 LEU A 67 1.059 -0.537 -1.113 1.00 44.53 H new ATOM 1114 N SER A 68 -0.511 -3.800 -2.569 1.00 53.50 N ATOM 1115 CA SER A 68 -1.966 -3.779 -2.576 1.00 11.43 C ATOM 1116 C SER A 68 -2.519 -4.243 -1.221 1.00 61.35 C ATOM 1117 O SER A 68 -3.440 -3.613 -0.711 1.00 34.21 O ATOM 1118 CB SER A 68 -2.496 -4.660 -3.712 1.00 41.15 C ATOM 1119 OG SER A 68 -3.873 -4.428 -3.944 1.00 73.43 O ATOM 0 H SER A 68 -0.111 -4.358 -3.323 1.00 53.50 H new ATOM 0 HA SER A 68 -2.303 -2.756 -2.743 1.00 11.43 H new ATOM 0 HB2 SER A 68 -1.933 -4.460 -4.623 1.00 41.15 H new ATOM 0 HB3 SER A 68 -2.339 -5.710 -3.464 1.00 41.15 H new ATOM 0 HG SER A 68 -4.183 -5.003 -4.675 1.00 73.43 H new ATOM 1125 N TYR A 69 -1.956 -5.307 -0.635 1.00 24.54 N ATOM 1126 CA TYR A 69 -2.370 -5.879 0.648 1.00 44.30 C ATOM 1127 C TYR A 69 -2.315 -4.853 1.783 1.00 51.22 C ATOM 1128 O TYR A 69 -3.129 -4.917 2.706 1.00 74.13 O ATOM 1129 CB TYR A 69 -1.501 -7.098 0.992 1.00 42.23 C ATOM 1130 CG TYR A 69 -2.300 -8.360 1.207 1.00 41.10 C ATOM 1131 CD1 TYR A 69 -2.721 -8.740 2.491 1.00 12.40 C ATOM 1132 CD2 TYR A 69 -2.622 -9.161 0.102 1.00 45.22 C ATOM 1133 CE1 TYR A 69 -3.428 -9.940 2.672 1.00 23.15 C ATOM 1134 CE2 TYR A 69 -3.310 -10.371 0.273 1.00 63.14 C ATOM 1135 CZ TYR A 69 -3.702 -10.776 1.567 1.00 1.44 C ATOM 1136 OH TYR A 69 -4.303 -11.977 1.768 1.00 3.31 O ATOM 0 H TYR A 69 -1.174 -5.808 -1.057 1.00 24.54 H new ATOM 0 HA TYR A 69 -3.409 -6.193 0.543 1.00 44.30 H new ATOM 0 HB2 TYR A 69 -0.784 -7.263 0.188 1.00 42.23 H new ATOM 0 HB3 TYR A 69 -0.926 -6.883 1.892 1.00 42.23 H new ATOM 0 HD1 TYR A 69 -2.501 -8.110 3.340 1.00 12.40 H new ATOM 0 HD2 TYR A 69 -2.337 -8.843 -0.890 1.00 45.22 H new ATOM 0 HE1 TYR A 69 -3.763 -10.224 3.659 1.00 23.15 H new ATOM 0 HE2 TYR A 69 -3.539 -10.990 -0.582 1.00 63.14 H new ATOM 0 HH TYR A 69 -4.423 -12.431 0.908 1.00 3.31 H new ATOM 1146 N TYR A 70 -1.336 -3.943 1.761 1.00 73.44 N ATOM 1147 CA TYR A 70 -1.204 -2.906 2.779 1.00 35.35 C ATOM 1148 C TYR A 70 -2.305 -1.874 2.558 1.00 41.11 C ATOM 1149 O TYR A 70 -2.965 -1.468 3.508 1.00 74.31 O ATOM 1150 CB TYR A 70 0.218 -2.322 2.781 1.00 45.10 C ATOM 1151 CG TYR A 70 1.176 -2.972 3.773 1.00 60.32 C ATOM 1152 CD1 TYR A 70 0.949 -4.266 4.292 1.00 35.03 C ATOM 1153 CD2 TYR A 70 2.316 -2.259 4.190 1.00 61.35 C ATOM 1154 CE1 TYR A 70 1.834 -4.822 5.228 1.00 43.20 C ATOM 1155 CE2 TYR A 70 3.249 -2.846 5.063 1.00 51.14 C ATOM 1156 CZ TYR A 70 3.012 -4.132 5.591 1.00 3.43 C ATOM 1157 OH TYR A 70 3.936 -4.716 6.404 1.00 41.41 O ATOM 0 H TYR A 70 -0.617 -3.908 1.038 1.00 73.44 H new ATOM 0 HA TYR A 70 -1.338 -3.317 3.779 1.00 35.35 H new ATOM 0 HB2 TYR A 70 0.636 -2.417 1.779 1.00 45.10 H new ATOM 0 HB3 TYR A 70 0.157 -1.256 3.001 1.00 45.10 H new ATOM 0 HD1 TYR A 70 0.088 -4.831 3.966 1.00 35.03 H new ATOM 0 HD2 TYR A 70 2.476 -1.251 3.836 1.00 61.35 H new ATOM 0 HE1 TYR A 70 1.614 -5.781 5.673 1.00 43.20 H new ATOM 0 HE2 TYR A 70 4.149 -2.311 5.330 1.00 51.14 H new ATOM 0 HH TYR A 70 4.683 -4.098 6.548 1.00 41.41 H new ATOM 1167 N SER A 71 -2.571 -1.487 1.311 1.00 22.31 N ATOM 1168 CA SER A 71 -3.635 -0.528 1.013 1.00 73.45 C ATOM 1169 C SER A 71 -5.034 -1.156 1.145 1.00 21.33 C ATOM 1170 O SER A 71 -6.046 -0.477 0.988 1.00 20.22 O ATOM 1171 CB SER A 71 -3.427 0.074 -0.370 1.00 31.21 C ATOM 1172 OG SER A 71 -2.879 -0.855 -1.293 1.00 51.21 O ATOM 0 H SER A 71 -2.065 -1.822 0.491 1.00 22.31 H new ATOM 0 HA SER A 71 -3.581 0.271 1.753 1.00 73.45 H new ATOM 0 HB2 SER A 71 -4.381 0.439 -0.751 1.00 31.21 H new ATOM 0 HB3 SER A 71 -2.765 0.936 -0.291 1.00 31.21 H new ATOM 0 HG SER A 71 -3.232 -1.750 -1.105 1.00 51.21 H new ATOM 1178 N ALA A 72 -5.104 -2.459 1.395 1.00 71.41 N ATOM 1179 CA ALA A 72 -6.314 -3.235 1.581 1.00 31.03 C ATOM 1180 C ALA A 72 -6.327 -3.757 3.024 1.00 42.23 C ATOM 1181 O ALA A 72 -7.067 -4.699 3.326 1.00 43.44 O ATOM 1182 CB ALA A 72 -6.385 -4.348 0.528 1.00 53.35 C ATOM 0 H ALA A 72 -4.264 -3.032 1.477 1.00 71.41 H new ATOM 0 HA ALA A 72 -7.207 -2.627 1.437 1.00 31.03 H new ATOM 0 HB1 ALA A 72 -7.296 -4.928 0.673 1.00 53.35 H new ATOM 0 HB2 ALA A 72 -6.390 -3.906 -0.468 1.00 53.35 H new ATOM 0 HB3 ALA A 72 -5.519 -5.002 0.631 1.00 53.35 H new ATOM 1188 N SER A 73 -5.450 -3.233 3.893 1.00 60.20 N ATOM 1189 CA SER A 73 -5.409 -3.664 5.284 1.00 45.44 C ATOM 1190 C SER A 73 -6.681 -3.171 5.986 1.00 61.20 C ATOM 1191 O SER A 73 -7.295 -2.198 5.528 1.00 41.44 O ATOM 1192 CB SER A 73 -4.122 -3.165 5.961 1.00 2.23 C ATOM 1193 OG SER A 73 -4.114 -1.778 6.229 1.00 2.51 O ATOM 0 H SER A 73 -4.767 -2.515 3.652 1.00 60.20 H new ATOM 0 HA SER A 73 -5.386 -4.752 5.350 1.00 45.44 H new ATOM 0 HB2 SER A 73 -3.983 -3.706 6.897 1.00 2.23 H new ATOM 0 HB3 SER A 73 -3.271 -3.406 5.324 1.00 2.23 H new ATOM 0 HG SER A 73 -3.723 -1.300 5.468 1.00 2.51 H new ATOM 1199 N PRO A 74 -7.091 -3.792 7.106 1.00 12.23 N ATOM 1200 CA PRO A 74 -8.282 -3.345 7.805 1.00 25.14 C ATOM 1201 C PRO A 74 -8.057 -1.922 8.299 1.00 72.33 C ATOM 1202 O PRO A 74 -8.911 -1.062 8.116 1.00 42.41 O ATOM 1203 CB PRO A 74 -8.501 -4.323 8.962 1.00 34.03 C ATOM 1204 CG PRO A 74 -7.143 -4.987 9.161 1.00 3.23 C ATOM 1205 CD PRO A 74 -6.490 -4.935 7.780 1.00 15.43 C ATOM 0 HA PRO A 74 -9.164 -3.332 7.165 1.00 25.14 H new ATOM 0 HB2 PRO A 74 -8.826 -3.805 9.864 1.00 34.03 H new ATOM 0 HB3 PRO A 74 -9.270 -5.057 8.722 1.00 34.03 H new ATOM 0 HG2 PRO A 74 -6.546 -4.457 9.903 1.00 3.23 H new ATOM 0 HG3 PRO A 74 -7.250 -6.013 9.512 1.00 3.23 H new ATOM 0 HD2 PRO A 74 -5.409 -4.818 7.861 1.00 15.43 H new ATOM 0 HD3 PRO A 74 -6.670 -5.856 7.226 1.00 15.43 H new ATOM 1213 N ALA A 75 -6.888 -1.657 8.884 1.00 71.42 N ATOM 1214 CA ALA A 75 -6.553 -0.358 9.415 1.00 3.10 C ATOM 1215 C ALA A 75 -6.544 0.738 8.356 1.00 34.31 C ATOM 1216 O ALA A 75 -7.064 1.807 8.658 1.00 61.43 O ATOM 1217 CB ALA A 75 -5.220 -0.456 10.137 1.00 70.35 C ATOM 0 H ALA A 75 -6.149 -2.351 8.998 1.00 71.42 H new ATOM 0 HA ALA A 75 -7.332 -0.064 10.118 1.00 3.10 H new ATOM 0 HB1 ALA A 75 -4.954 0.520 10.544 1.00 70.35 H new ATOM 0 HB2 ALA A 75 -5.298 -1.179 10.949 1.00 70.35 H new ATOM 0 HB3 ALA A 75 -4.450 -0.779 9.437 1.00 70.35 H new ATOM 1223 N TYR A 76 -5.991 0.504 7.158 1.00 23.13 N ATOM 1224 CA TYR A 76 -5.957 1.514 6.099 1.00 21.53 C ATOM 1225 C TYR A 76 -7.371 1.937 5.717 1.00 70.32 C ATOM 1226 O TYR A 76 -7.655 3.135 5.643 1.00 63.53 O ATOM 1227 CB TYR A 76 -5.190 0.979 4.869 1.00 12.11 C ATOM 1228 CG TYR A 76 -5.173 1.872 3.629 1.00 62.24 C ATOM 1229 CD1 TYR A 76 -4.024 2.610 3.272 1.00 63.31 C ATOM 1230 CD2 TYR A 76 -6.284 1.889 2.762 1.00 31.24 C ATOM 1231 CE1 TYR A 76 -3.986 3.341 2.072 1.00 42.13 C ATOM 1232 CE2 TYR A 76 -6.261 2.628 1.566 1.00 12.35 C ATOM 1233 CZ TYR A 76 -5.105 3.356 1.211 1.00 74.12 C ATOM 1234 OH TYR A 76 -5.062 4.049 0.038 1.00 53.33 O ATOM 0 H TYR A 76 -5.559 -0.383 6.900 1.00 23.13 H new ATOM 0 HA TYR A 76 -5.431 2.392 6.473 1.00 21.53 H new ATOM 0 HB2 TYR A 76 -4.159 0.791 5.167 1.00 12.11 H new ATOM 0 HB3 TYR A 76 -5.622 0.018 4.590 1.00 12.11 H new ATOM 0 HD1 TYR A 76 -3.166 2.613 3.927 1.00 63.31 H new ATOM 0 HD2 TYR A 76 -7.168 1.325 3.021 1.00 31.24 H new ATOM 0 HE1 TYR A 76 -3.097 3.894 1.807 1.00 42.13 H new ATOM 0 HE2 TYR A 76 -7.126 2.639 0.920 1.00 12.35 H new ATOM 0 HH TYR A 76 -5.917 3.951 -0.431 1.00 53.33 H new ATOM 1244 N LEU A 77 -8.254 0.968 5.462 1.00 53.33 N ATOM 1245 CA LEU A 77 -9.630 1.243 5.052 1.00 13.21 C ATOM 1246 C LEU A 77 -10.424 1.859 6.199 1.00 43.43 C ATOM 1247 O LEU A 77 -11.089 2.870 5.995 1.00 3.40 O ATOM 1248 CB LEU A 77 -10.300 -0.025 4.518 1.00 74.14 C ATOM 1249 CG LEU A 77 -9.526 -0.699 3.364 1.00 24.22 C ATOM 1250 CD1 LEU A 77 -9.954 -2.160 3.301 1.00 32.34 C ATOM 1251 CD2 LEU A 77 -9.705 0.017 2.023 1.00 42.05 C ATOM 0 H LEU A 77 -8.034 -0.025 5.534 1.00 53.33 H new ATOM 0 HA LEU A 77 -9.610 1.970 4.240 1.00 13.21 H new ATOM 0 HB2 LEU A 77 -10.410 -0.738 5.335 1.00 74.14 H new ATOM 0 HB3 LEU A 77 -11.304 0.223 4.174 1.00 74.14 H new ATOM 0 HG LEU A 77 -8.457 -0.634 3.566 1.00 24.22 H new ATOM 0 HD11 LEU A 77 -9.421 -2.661 2.493 1.00 32.34 H new ATOM 0 HD12 LEU A 77 -9.720 -2.649 4.247 1.00 32.34 H new ATOM 0 HD13 LEU A 77 -11.027 -2.217 3.118 1.00 32.34 H new ATOM 0 HD21 LEU A 77 -9.137 -0.505 1.253 1.00 42.05 H new ATOM 0 HD22 LEU A 77 -10.761 0.024 1.752 1.00 42.05 H new ATOM 0 HD23 LEU A 77 -9.345 1.042 2.107 1.00 42.05 H new ATOM 1263 N SER A 78 -10.328 1.282 7.400 1.00 74.43 N ATOM 1264 CA SER A 78 -11.017 1.780 8.593 1.00 22.12 C ATOM 1265 C SER A 78 -10.578 3.234 8.860 1.00 1.51 C ATOM 1266 O SER A 78 -11.404 4.071 9.226 1.00 23.54 O ATOM 1267 CB SER A 78 -10.716 0.845 9.780 1.00 34.40 C ATOM 1268 OG SER A 78 -11.690 0.911 10.802 1.00 15.31 O ATOM 0 H SER A 78 -9.765 0.449 7.573 1.00 74.43 H new ATOM 0 HA SER A 78 -12.097 1.784 8.446 1.00 22.12 H new ATOM 0 HB2 SER A 78 -10.648 -0.181 9.418 1.00 34.40 H new ATOM 0 HB3 SER A 78 -9.742 1.101 10.198 1.00 34.40 H new ATOM 0 HG SER A 78 -11.447 0.297 11.526 1.00 15.31 H new ATOM 1274 N CYS A 79 -9.299 3.554 8.632 1.00 51.42 N ATOM 1275 CA CYS A 79 -8.709 4.872 8.814 1.00 55.52 C ATOM 1276 C CYS A 79 -9.102 5.856 7.704 1.00 64.13 C ATOM 1277 O CYS A 79 -8.458 6.899 7.621 1.00 65.11 O ATOM 1278 CB CYS A 79 -7.182 4.801 9.026 1.00 24.23 C ATOM 1279 SG CYS A 79 -6.615 6.310 9.872 1.00 72.42 S ATOM 0 H CYS A 79 -8.623 2.866 8.301 1.00 51.42 H new ATOM 0 HA CYS A 79 -9.133 5.274 9.734 1.00 55.52 H new ATOM 0 HB2 CYS A 79 -6.927 3.922 9.618 1.00 24.23 H new ATOM 0 HB3 CYS A 79 -6.675 4.697 8.066 1.00 24.23 H new ATOM 0 HG CYS A 79 -7.161 7.350 9.316 1.00 72.42 H new ATOM 1285 N GLN A 80 -10.011 5.518 6.777 1.00 73.03 N ATOM 1286 CA GLN A 80 -10.472 6.404 5.706 1.00 15.44 C ATOM 1287 C GLN A 80 -10.616 7.846 6.211 1.00 13.41 C ATOM 1288 O GLN A 80 -11.556 8.183 6.930 1.00 2.41 O ATOM 1289 CB GLN A 80 -11.817 5.945 5.109 1.00 64.33 C ATOM 1290 CG GLN A 80 -12.935 5.651 6.133 1.00 32.20 C ATOM 1291 CD GLN A 80 -14.147 6.587 6.049 1.00 1.34 C ATOM 1292 OE1 GLN A 80 -14.120 7.667 5.469 1.00 43.55 O ATOM 1293 NE2 GLN A 80 -15.261 6.194 6.642 1.00 24.44 N ATOM 0 H GLN A 80 -10.454 4.599 6.754 1.00 73.03 H new ATOM 0 HA GLN A 80 -9.714 6.361 4.923 1.00 15.44 H new ATOM 0 HB2 GLN A 80 -12.171 6.714 4.422 1.00 64.33 H new ATOM 0 HB3 GLN A 80 -11.644 5.045 4.518 1.00 64.33 H new ATOM 0 HG2 GLN A 80 -13.276 4.625 5.993 1.00 32.20 H new ATOM 0 HG3 GLN A 80 -12.515 5.713 7.137 1.00 32.20 H new ATOM 0 HE21 GLN A 80 -15.292 5.297 7.127 1.00 24.44 H new ATOM 0 HE22 GLN A 80 -16.090 6.788 6.615 1.00 24.44 H new ATOM 1302 N LYS A 81 -9.692 8.716 5.818 1.00 60.51 N ATOM 1303 CA LYS A 81 -9.662 10.109 6.195 1.00 62.31 C ATOM 1304 C LYS A 81 -9.466 10.958 4.952 1.00 22.22 C ATOM 1305 O LYS A 81 -8.348 11.008 4.436 1.00 21.43 O ATOM 1306 CB LYS A 81 -8.544 10.331 7.220 1.00 73.14 C ATOM 1307 CG LYS A 81 -9.008 9.875 8.605 1.00 52.31 C ATOM 1308 CD LYS A 81 -10.035 10.840 9.209 1.00 0.44 C ATOM 1309 CE LYS A 81 -9.448 11.295 10.528 1.00 5.21 C ATOM 1310 NZ LYS A 81 -10.302 12.287 11.207 1.00 63.33 N ATOM 0 H LYS A 81 -8.919 8.453 5.206 1.00 60.51 H new ATOM 0 HA LYS A 81 -10.604 10.403 6.658 1.00 62.31 H new ATOM 0 HB2 LYS A 81 -7.653 9.777 6.925 1.00 73.14 H new ATOM 0 HB3 LYS A 81 -8.269 11.385 7.248 1.00 73.14 H new ATOM 0 HG2 LYS A 81 -9.445 8.879 8.532 1.00 52.31 H new ATOM 0 HG3 LYS A 81 -8.147 9.798 9.269 1.00 52.31 H new ATOM 0 HD2 LYS A 81 -10.212 11.687 8.547 1.00 0.44 H new ATOM 0 HD3 LYS A 81 -10.995 10.346 9.358 1.00 0.44 H new ATOM 0 HE2 LYS A 81 -9.310 10.432 11.179 1.00 5.21 H new ATOM 0 HE3 LYS A 81 -8.462 11.725 10.355 1.00 5.21 H new ATOM 0 HZ1 LYS A 81 -9.860 12.569 12.105 1.00 63.33 H new ATOM 0 HZ2 LYS A 81 -10.414 13.123 10.599 1.00 63.33 H new ATOM 0 HZ3 LYS A 81 -11.235 11.870 11.397 1.00 63.33 H new ATOM 1324 N PRO A 82 -10.536 11.553 4.408 1.00 43.04 N ATOM 1325 CA PRO A 82 -10.410 12.420 3.251 1.00 12.44 C ATOM 1326 C PRO A 82 -9.748 13.717 3.732 1.00 73.24 C ATOM 1327 O PRO A 82 -9.442 13.866 4.919 1.00 11.44 O ATOM 1328 CB PRO A 82 -11.846 12.668 2.787 1.00 71.43 C ATOM 1329 CG PRO A 82 -12.664 12.573 4.076 1.00 44.01 C ATOM 1330 CD PRO A 82 -11.901 11.553 4.914 1.00 31.03 C ATOM 0 HA PRO A 82 -9.812 12.007 2.439 1.00 12.44 H new ATOM 0 HB2 PRO A 82 -11.952 13.646 2.317 1.00 71.43 H new ATOM 0 HB3 PRO A 82 -12.164 11.926 2.055 1.00 71.43 H new ATOM 0 HG2 PRO A 82 -12.730 13.537 4.581 1.00 44.01 H new ATOM 0 HG3 PRO A 82 -13.685 12.246 3.879 1.00 44.01 H new ATOM 0 HD2 PRO A 82 -11.925 11.821 5.970 1.00 31.03 H new ATOM 0 HD3 PRO A 82 -12.349 10.563 4.826 1.00 31.03 H new ATOM 1338 N ASP A 83 -9.487 14.647 2.814 1.00 41.53 N ATOM 1339 CA ASP A 83 -8.894 15.958 3.134 1.00 51.43 C ATOM 1340 C ASP A 83 -7.631 15.826 4.001 1.00 61.34 C ATOM 1341 O ASP A 83 -7.369 16.647 4.873 1.00 75.34 O ATOM 1342 CB ASP A 83 -9.953 16.878 3.780 1.00 4.41 C ATOM 1343 CG ASP A 83 -11.351 16.697 3.191 1.00 0.22 C ATOM 1344 OD1 ASP A 83 -11.567 17.095 2.020 1.00 5.43 O ATOM 1345 OD2 ASP A 83 -12.200 16.096 3.893 1.00 12.33 O ATOM 0 H ASP A 83 -9.680 14.518 1.821 1.00 41.53 H new ATOM 0 HA ASP A 83 -8.569 16.420 2.202 1.00 51.43 H new ATOM 0 HB2 ASP A 83 -9.990 16.682 4.852 1.00 4.41 H new ATOM 0 HB3 ASP A 83 -9.646 17.917 3.656 1.00 4.41 H new ATOM 1350 N THR A 84 -6.833 14.780 3.760 1.00 4.41 N ATOM 1351 CA THR A 84 -5.624 14.488 4.527 1.00 14.01 C ATOM 1352 C THR A 84 -4.320 14.881 3.822 1.00 63.34 C ATOM 1353 O THR A 84 -3.278 14.822 4.463 1.00 25.14 O ATOM 1354 CB THR A 84 -5.709 13.009 4.968 1.00 22.45 C ATOM 1355 OG1 THR A 84 -4.857 12.697 6.054 1.00 61.34 O ATOM 1356 CG2 THR A 84 -5.428 12.047 3.811 1.00 13.41 C ATOM 0 H THR A 84 -7.014 14.106 3.016 1.00 4.41 H new ATOM 0 HA THR A 84 -5.583 15.122 5.413 1.00 14.01 H new ATOM 0 HB THR A 84 -6.738 12.877 5.303 1.00 22.45 H new ATOM 0 HG1 THR A 84 -4.957 11.750 6.287 1.00 61.34 H new ATOM 0 HG21 THR A 84 -5.499 11.019 4.167 1.00 13.41 H new ATOM 0 HG22 THR A 84 -6.159 12.208 3.019 1.00 13.41 H new ATOM 0 HG23 THR A 84 -4.426 12.228 3.422 1.00 13.41 H new ATOM 1364 N ALA A 85 -4.359 15.287 2.542 1.00 0.03 N ATOM 1365 CA ALA A 85 -3.204 15.705 1.728 1.00 21.40 C ATOM 1366 C ALA A 85 -2.091 14.658 1.707 1.00 0.25 C ATOM 1367 O ALA A 85 -1.296 14.509 2.636 1.00 11.14 O ATOM 1368 CB ALA A 85 -2.716 17.090 2.139 1.00 62.13 C ATOM 0 H ALA A 85 -5.236 15.335 2.023 1.00 0.03 H new ATOM 0 HA ALA A 85 -3.542 15.782 0.695 1.00 21.40 H new ATOM 0 HB1 ALA A 85 -1.863 17.373 1.522 1.00 62.13 H new ATOM 0 HB2 ALA A 85 -3.519 17.814 2.002 1.00 62.13 H new ATOM 0 HB3 ALA A 85 -2.416 17.074 3.187 1.00 62.13 H new ATOM 1374 N ARG A 86 -2.143 13.826 0.670 1.00 25.53 N ATOM 1375 CA ARG A 86 -1.167 12.760 0.468 1.00 43.40 C ATOM 1376 C ARG A 86 0.120 13.366 -0.103 1.00 51.35 C ATOM 1377 O ARG A 86 0.212 14.581 -0.294 1.00 72.11 O ATOM 1378 CB ARG A 86 -1.782 11.557 -0.275 1.00 14.04 C ATOM 1379 CG ARG A 86 -2.270 11.839 -1.698 1.00 21.21 C ATOM 1380 CD ARG A 86 -3.553 11.076 -2.064 1.00 44.22 C ATOM 1381 NE ARG A 86 -3.777 10.936 -3.517 1.00 5.45 N ATOM 1382 CZ ARG A 86 -3.737 11.871 -4.485 1.00 35.12 C ATOM 1383 NH1 ARG A 86 -3.499 13.156 -4.250 1.00 53.24 N ATOM 1384 NH2 ARG A 86 -3.952 11.504 -5.740 1.00 41.45 N ATOM 0 H ARG A 86 -2.862 13.872 -0.052 1.00 25.53 H new ATOM 0 HA ARG A 86 -0.866 12.305 1.412 1.00 43.40 H new ATOM 0 HB2 ARG A 86 -1.040 10.760 -0.316 1.00 14.04 H new ATOM 0 HB3 ARG A 86 -2.621 11.182 0.310 1.00 14.04 H new ATOM 0 HG2 ARG A 86 -2.448 12.909 -1.808 1.00 21.21 H new ATOM 0 HG3 ARG A 86 -1.483 11.572 -2.404 1.00 21.21 H new ATOM 0 HD2 ARG A 86 -3.513 10.083 -1.616 1.00 44.22 H new ATOM 0 HD3 ARG A 86 -4.407 11.590 -1.623 1.00 44.22 H new ATOM 0 HE ARG A 86 -3.994 9.991 -3.834 1.00 5.45 H new ATOM 0 HH11 ARG A 86 -3.335 13.478 -3.296 1.00 53.24 H new ATOM 0 HH12 ARG A 86 -3.480 13.821 -5.023 1.00 53.24 H new ATOM 0 HH21 ARG A 86 -4.144 10.527 -5.960 1.00 41.45 H new ATOM 0 HH22 ARG A 86 -3.926 12.199 -6.486 1.00 41.45 H new ATOM 1398 N VAL A 87 1.118 12.524 -0.316 1.00 14.31 N ATOM 1399 CA VAL A 87 2.438 12.874 -0.815 1.00 63.13 C ATOM 1400 C VAL A 87 2.906 11.779 -1.772 1.00 15.40 C ATOM 1401 O VAL A 87 2.323 10.684 -1.802 1.00 61.11 O ATOM 1402 CB VAL A 87 3.405 13.068 0.376 1.00 11.02 C ATOM 1403 CG1 VAL A 87 3.089 14.317 1.215 1.00 11.44 C ATOM 1404 CG2 VAL A 87 3.387 11.862 1.320 1.00 62.23 C ATOM 0 H VAL A 87 1.024 11.524 -0.136 1.00 14.31 H new ATOM 0 HA VAL A 87 2.411 13.814 -1.365 1.00 63.13 H new ATOM 0 HB VAL A 87 4.388 13.185 -0.081 1.00 11.02 H new ATOM 0 HG11 VAL A 87 3.804 14.395 2.034 1.00 11.44 H new ATOM 0 HG12 VAL A 87 3.159 15.205 0.586 1.00 11.44 H new ATOM 0 HG13 VAL A 87 2.080 14.238 1.620 1.00 11.44 H new ATOM 0 HG21 VAL A 87 4.079 12.035 2.144 1.00 62.23 H new ATOM 0 HG22 VAL A 87 2.380 11.723 1.714 1.00 62.23 H new ATOM 0 HG23 VAL A 87 3.689 10.968 0.774 1.00 62.23 H new ATOM 1414 N ASP A 88 3.869 12.133 -2.617 1.00 41.32 N ATOM 1415 CA ASP A 88 4.505 11.269 -3.606 1.00 61.53 C ATOM 1416 C ASP A 88 5.823 10.727 -3.032 1.00 51.10 C ATOM 1417 O ASP A 88 6.226 11.118 -1.937 1.00 40.32 O ATOM 1418 CB ASP A 88 4.685 12.021 -4.941 1.00 14.31 C ATOM 1419 CG ASP A 88 5.784 13.087 -5.008 1.00 14.23 C ATOM 1420 OD1 ASP A 88 5.951 13.702 -6.088 1.00 75.33 O ATOM 1421 OD2 ASP A 88 6.488 13.331 -4.014 1.00 14.10 O ATOM 0 H ASP A 88 4.247 13.080 -2.631 1.00 41.32 H new ATOM 0 HA ASP A 88 3.869 10.411 -3.826 1.00 61.53 H new ATOM 0 HB2 ASP A 88 4.883 11.284 -5.719 1.00 14.31 H new ATOM 0 HB3 ASP A 88 3.737 12.499 -5.189 1.00 14.31 H new ATOM 1426 N ILE A 89 6.511 9.837 -3.756 1.00 62.45 N ATOM 1427 CA ILE A 89 7.793 9.247 -3.327 1.00 12.12 C ATOM 1428 C ILE A 89 8.949 10.264 -3.254 1.00 21.35 C ATOM 1429 O ILE A 89 10.067 9.918 -2.856 1.00 73.01 O ATOM 1430 CB ILE A 89 8.208 8.096 -4.264 1.00 64.41 C ATOM 1431 CG1 ILE A 89 8.064 8.473 -5.756 1.00 30.13 C ATOM 1432 CG2 ILE A 89 7.447 6.801 -3.975 1.00 54.53 C ATOM 1433 CD1 ILE A 89 9.184 7.849 -6.579 1.00 14.22 C ATOM 0 H ILE A 89 6.194 9.500 -4.665 1.00 62.45 H new ATOM 0 HA ILE A 89 7.615 8.876 -2.318 1.00 12.12 H new ATOM 0 HB ILE A 89 9.264 7.919 -4.057 1.00 64.41 H new ATOM 0 HG12 ILE A 89 7.098 8.134 -6.130 1.00 30.13 H new ATOM 0 HG13 ILE A 89 8.086 9.557 -5.866 1.00 30.13 H new ATOM 0 HG21 ILE A 89 7.778 6.023 -4.663 1.00 54.53 H new ATOM 0 HG22 ILE A 89 7.642 6.485 -2.950 1.00 54.53 H new ATOM 0 HG23 ILE A 89 6.378 6.970 -4.105 1.00 54.53 H new ATOM 0 HD11 ILE A 89 9.064 8.127 -7.626 1.00 14.22 H new ATOM 0 HD12 ILE A 89 10.147 8.209 -6.216 1.00 14.22 H new ATOM 0 HD13 ILE A 89 9.144 6.764 -6.484 1.00 14.22 H new ATOM 1445 N TYR A 90 8.743 11.483 -3.739 1.00 1.52 N ATOM 1446 CA TYR A 90 9.702 12.585 -3.706 1.00 31.34 C ATOM 1447 C TYR A 90 9.359 13.488 -2.491 1.00 62.13 C ATOM 1448 O TYR A 90 10.042 14.492 -2.262 1.00 41.14 O ATOM 1449 CB TYR A 90 9.651 13.402 -5.011 1.00 22.32 C ATOM 1450 CG TYR A 90 10.183 12.827 -6.317 1.00 5.13 C ATOM 1451 CD1 TYR A 90 10.270 11.445 -6.565 1.00 11.14 C ATOM 1452 CD2 TYR A 90 10.519 13.722 -7.350 1.00 52.13 C ATOM 1453 CE1 TYR A 90 10.699 10.963 -7.812 1.00 34.30 C ATOM 1454 CE2 TYR A 90 10.942 13.253 -8.604 1.00 34.43 C ATOM 1455 CZ TYR A 90 11.038 11.866 -8.840 1.00 33.54 C ATOM 1456 OH TYR A 90 11.440 11.390 -10.047 1.00 51.54 O ATOM 0 H TYR A 90 7.864 11.743 -4.186 1.00 1.52 H new ATOM 0 HA TYR A 90 10.712 12.188 -3.609 1.00 31.34 H new ATOM 0 HB2 TYR A 90 8.608 13.668 -5.181 1.00 22.32 H new ATOM 0 HB3 TYR A 90 10.191 14.331 -4.828 1.00 22.32 H new ATOM 0 HD1 TYR A 90 10.003 10.746 -5.786 1.00 11.14 H new ATOM 0 HD2 TYR A 90 10.450 14.786 -7.175 1.00 52.13 H new ATOM 0 HE1 TYR A 90 10.769 9.899 -7.984 1.00 34.30 H new ATOM 0 HE2 TYR A 90 11.193 13.953 -9.387 1.00 34.43 H new ATOM 0 HH TYR A 90 11.636 12.141 -10.646 1.00 51.54 H new ATOM 1466 N GLY A 91 8.322 13.168 -1.698 1.00 43.25 N ATOM 1467 CA GLY A 91 7.890 13.918 -0.529 1.00 34.32 C ATOM 1468 C GLY A 91 7.088 15.168 -0.888 1.00 74.20 C ATOM 1469 O GLY A 91 6.808 15.985 -0.007 1.00 42.54 O ATOM 0 H GLY A 91 7.745 12.344 -1.870 1.00 43.25 H new ATOM 0 HA2 GLY A 91 7.283 13.273 0.106 1.00 34.32 H new ATOM 0 HA3 GLY A 91 8.764 14.208 0.054 1.00 34.32 H new ATOM 1473 N ASN A 92 6.792 15.403 -2.167 1.00 4.22 N ATOM 1474 CA ASN A 92 6.026 16.563 -2.618 1.00 2.24 C ATOM 1475 C ASN A 92 4.593 16.416 -2.149 1.00 35.02 C ATOM 1476 O ASN A 92 4.071 15.305 -2.055 1.00 64.05 O ATOM 1477 CB ASN A 92 5.982 16.686 -4.144 1.00 75.15 C ATOM 1478 CG ASN A 92 7.337 16.826 -4.807 1.00 45.30 C ATOM 1479 OD1 ASN A 92 8.093 17.757 -4.538 1.00 11.14 O ATOM 1480 ND2 ASN A 92 7.687 15.915 -5.693 1.00 35.11 N ATOM 0 H ASN A 92 7.081 14.786 -2.926 1.00 4.22 H new ATOM 0 HA ASN A 92 6.516 17.445 -2.206 1.00 2.24 H new ATOM 0 HB2 ASN A 92 5.482 15.807 -4.552 1.00 75.15 H new ATOM 0 HB3 ASN A 92 5.372 17.550 -4.408 1.00 75.15 H new ATOM 0 HD21 ASN A 92 8.591 15.980 -6.161 1.00 35.11 H new ATOM 0 HD22 ASN A 92 7.054 15.145 -5.911 1.00 35.11 H new ATOM 1487 N GLU A 93 3.962 17.536 -1.822 1.00 54.44 N ATOM 1488 CA GLU A 93 2.584 17.563 -1.387 1.00 14.32 C ATOM 1489 C GLU A 93 1.730 17.452 -2.647 1.00 14.32 C ATOM 1490 O GLU A 93 2.004 18.068 -3.685 1.00 11.01 O ATOM 1491 CB GLU A 93 2.313 18.854 -0.608 1.00 24.13 C ATOM 1492 CG GLU A 93 2.356 18.604 0.905 1.00 33.24 C ATOM 1493 CD GLU A 93 2.346 19.916 1.691 1.00 1.33 C ATOM 1494 OE1 GLU A 93 1.334 20.227 2.360 1.00 50.22 O ATOM 1495 OE2 GLU A 93 3.361 20.644 1.637 1.00 53.33 O ATOM 0 H GLU A 93 4.402 18.456 -1.854 1.00 54.44 H new ATOM 0 HA GLU A 93 2.347 16.741 -0.711 1.00 14.32 H new ATOM 0 HB2 GLU A 93 3.054 19.607 -0.877 1.00 24.13 H new ATOM 0 HB3 GLU A 93 1.338 19.253 -0.886 1.00 24.13 H new ATOM 0 HG2 GLU A 93 1.500 17.996 1.199 1.00 33.24 H new ATOM 0 HG3 GLU A 93 3.252 18.036 1.155 1.00 33.24 H new ATOM 1502 N VAL A 94 0.693 16.635 -2.552 1.00 41.41 N ATOM 1503 CA VAL A 94 -0.288 16.340 -3.581 1.00 53.23 C ATOM 1504 C VAL A 94 -1.673 16.660 -3.011 1.00 41.41 C ATOM 1505 O VAL A 94 -1.808 17.025 -1.837 1.00 41.23 O ATOM 1506 CB VAL A 94 -0.057 14.997 -4.292 1.00 71.22 C ATOM 1507 CG1 VAL A 94 1.297 15.002 -5.022 1.00 14.40 C ATOM 1508 CG2 VAL A 94 -0.130 13.823 -3.332 1.00 3.33 C ATOM 0 H VAL A 94 0.502 16.124 -1.690 1.00 41.41 H new ATOM 0 HA VAL A 94 -0.178 16.989 -4.450 1.00 53.23 H new ATOM 0 HB VAL A 94 -0.858 14.875 -5.021 1.00 71.22 H new ATOM 0 HG11 VAL A 94 1.445 14.044 -5.520 1.00 14.40 H new ATOM 0 HG12 VAL A 94 1.308 15.802 -5.763 1.00 14.40 H new ATOM 0 HG13 VAL A 94 2.098 15.164 -4.301 1.00 14.40 H new ATOM 0 HG21 VAL A 94 0.039 12.895 -3.878 1.00 3.33 H new ATOM 0 HG22 VAL A 94 0.633 13.935 -2.562 1.00 3.33 H new ATOM 0 HG23 VAL A 94 -1.115 13.795 -2.866 1.00 3.33 H new ATOM 1518 N ASP A 95 -2.727 16.448 -3.789 1.00 62.40 N ATOM 1519 CA ASP A 95 -4.090 16.799 -3.409 1.00 63.32 C ATOM 1520 C ASP A 95 -4.647 15.779 -2.411 1.00 13.03 C ATOM 1521 O ASP A 95 -3.959 14.833 -1.987 1.00 10.41 O ATOM 1522 CB ASP A 95 -5.012 16.763 -4.655 1.00 51.32 C ATOM 1523 CG ASP A 95 -4.380 17.149 -5.991 1.00 44.34 C ATOM 1524 OD1 ASP A 95 -4.859 18.093 -6.645 1.00 71.25 O ATOM 1525 OD2 ASP A 95 -3.475 16.406 -6.444 1.00 41.34 O ATOM 0 H ASP A 95 -2.659 16.022 -4.713 1.00 62.40 H new ATOM 0 HA ASP A 95 -4.065 17.795 -2.967 1.00 63.32 H new ATOM 0 HB2 ASP A 95 -5.417 15.755 -4.749 1.00 51.32 H new ATOM 0 HB3 ASP A 95 -5.855 17.429 -4.473 1.00 51.32 H new ATOM 1530 N VAL A 96 -5.928 15.912 -2.066 1.00 32.33 N ATOM 1531 CA VAL A 96 -6.533 15.055 -1.064 1.00 71.30 C ATOM 1532 C VAL A 96 -7.558 14.083 -1.610 1.00 0.11 C ATOM 1533 O VAL A 96 -8.138 14.286 -2.680 1.00 25.45 O ATOM 1534 CB VAL A 96 -7.210 15.932 0.011 1.00 74.44 C ATOM 1535 CG1 VAL A 96 -6.355 17.108 0.483 1.00 24.22 C ATOM 1536 CG2 VAL A 96 -8.551 16.526 -0.454 1.00 42.32 C ATOM 0 H VAL A 96 -6.559 16.605 -2.468 1.00 32.33 H new ATOM 0 HA VAL A 96 -5.722 14.455 -0.652 1.00 71.30 H new ATOM 0 HB VAL A 96 -7.361 15.232 0.833 1.00 74.44 H new ATOM 0 HG11 VAL A 96 -6.901 17.675 1.237 1.00 24.22 H new ATOM 0 HG12 VAL A 96 -5.426 16.733 0.912 1.00 24.22 H new ATOM 0 HG13 VAL A 96 -6.128 17.756 -0.364 1.00 24.22 H new ATOM 0 HG21 VAL A 96 -8.977 17.132 0.345 1.00 42.32 H new ATOM 0 HG22 VAL A 96 -8.388 17.149 -1.334 1.00 42.32 H new ATOM 0 HG23 VAL A 96 -9.240 15.719 -0.704 1.00 42.32 H new ATOM 1546 N VAL A 97 -7.741 13.007 -0.843 1.00 11.34 N ATOM 1547 CA VAL A 97 -8.715 11.989 -1.187 1.00 32.44 C ATOM 1548 C VAL A 97 -10.070 12.650 -0.942 1.00 14.24 C ATOM 1549 O VAL A 97 -10.255 13.295 0.098 1.00 72.11 O ATOM 1550 CB VAL A 97 -8.525 10.699 -0.364 1.00 42.31 C ATOM 1551 CG1 VAL A 97 -9.481 9.595 -0.843 1.00 25.11 C ATOM 1552 CG2 VAL A 97 -7.084 10.179 -0.481 1.00 70.52 C ATOM 0 H VAL A 97 -7.225 12.825 0.018 1.00 11.34 H new ATOM 0 HA VAL A 97 -8.613 11.658 -2.221 1.00 32.44 H new ATOM 0 HB VAL A 97 -8.742 10.947 0.675 1.00 42.31 H new ATOM 0 HG11 VAL A 97 -9.327 8.696 -0.246 1.00 25.11 H new ATOM 0 HG12 VAL A 97 -10.511 9.932 -0.731 1.00 25.11 H new ATOM 0 HG13 VAL A 97 -9.284 9.373 -1.892 1.00 25.11 H new ATOM 0 HG21 VAL A 97 -6.977 9.269 0.109 1.00 70.52 H new ATOM 0 HG22 VAL A 97 -6.859 9.964 -1.525 1.00 70.52 H new ATOM 0 HG23 VAL A 97 -6.393 10.936 -0.109 1.00 70.52 H new ATOM 1562 N THR A 98 -10.981 12.546 -1.904 1.00 3.40 N ATOM 1563 CA THR A 98 -12.300 13.138 -1.787 1.00 35.24 C ATOM 1564 C THR A 98 -13.102 12.422 -0.694 1.00 73.40 C ATOM 1565 O THR A 98 -12.860 11.239 -0.422 1.00 24.32 O ATOM 1566 CB THR A 98 -13.001 13.092 -3.155 1.00 43.32 C ATOM 1567 OG1 THR A 98 -12.909 11.806 -3.725 1.00 32.01 O ATOM 1568 CG2 THR A 98 -12.339 14.082 -4.110 1.00 34.21 C ATOM 0 H THR A 98 -10.823 12.050 -2.781 1.00 3.40 H new ATOM 0 HA THR A 98 -12.220 14.184 -1.490 1.00 35.24 H new ATOM 0 HB THR A 98 -14.049 13.349 -3.001 1.00 43.32 H new ATOM 0 HG1 THR A 98 -13.219 11.837 -4.654 1.00 32.01 H new ATOM 0 HG21 THR A 98 -12.840 14.045 -5.077 1.00 34.21 H new ATOM 0 HG22 THR A 98 -12.415 15.089 -3.700 1.00 34.21 H new ATOM 0 HG23 THR A 98 -11.288 13.820 -4.235 1.00 34.21 H new ATOM 1576 N PRO A 99 -14.106 13.090 -0.100 1.00 55.35 N ATOM 1577 CA PRO A 99 -14.920 12.504 0.949 1.00 11.51 C ATOM 1578 C PRO A 99 -15.590 11.203 0.521 1.00 33.35 C ATOM 1579 O PRO A 99 -15.632 10.273 1.331 1.00 53.50 O ATOM 1580 CB PRO A 99 -15.899 13.593 1.400 1.00 14.40 C ATOM 1581 CG PRO A 99 -15.875 14.624 0.277 1.00 41.32 C ATOM 1582 CD PRO A 99 -14.486 14.476 -0.324 1.00 41.14 C ATOM 0 HA PRO A 99 -14.304 12.193 1.793 1.00 11.51 H new ATOM 0 HB2 PRO A 99 -16.901 13.189 1.546 1.00 14.40 H new ATOM 0 HB3 PRO A 99 -15.592 14.033 2.349 1.00 14.40 H new ATOM 0 HG2 PRO A 99 -16.653 14.429 -0.461 1.00 41.32 H new ATOM 0 HG3 PRO A 99 -16.041 15.632 0.656 1.00 41.32 H new ATOM 0 HD2 PRO A 99 -14.492 14.713 -1.388 1.00 41.14 H new ATOM 0 HD3 PRO A 99 -13.780 15.157 0.150 1.00 41.14 H new ATOM 1590 N GLU A 100 -16.074 11.113 -0.720 1.00 60.52 N ATOM 1591 CA GLU A 100 -16.722 9.908 -1.212 1.00 21.13 C ATOM 1592 C GLU A 100 -15.719 8.783 -1.419 1.00 13.41 C ATOM 1593 O GLU A 100 -15.955 7.667 -0.957 1.00 41.21 O ATOM 1594 CB GLU A 100 -17.452 10.159 -2.531 1.00 61.42 C ATOM 1595 CG GLU A 100 -18.755 10.910 -2.281 1.00 41.45 C ATOM 1596 CD GLU A 100 -19.615 10.884 -3.535 1.00 50.15 C ATOM 1597 OE1 GLU A 100 -19.421 11.744 -4.419 1.00 0.42 O ATOM 1598 OE2 GLU A 100 -20.482 9.981 -3.657 1.00 44.05 O ATOM 0 H GLU A 100 -16.026 11.870 -1.402 1.00 60.52 H new ATOM 0 HA GLU A 100 -17.445 9.616 -0.450 1.00 21.13 H new ATOM 0 HB2 GLU A 100 -16.816 10.735 -3.203 1.00 61.42 H new ATOM 0 HB3 GLU A 100 -17.660 9.210 -3.025 1.00 61.42 H new ATOM 0 HG2 GLU A 100 -19.294 10.455 -1.450 1.00 41.45 H new ATOM 0 HG3 GLU A 100 -18.542 11.940 -1.996 1.00 41.45 H new ATOM 1605 N GLN A 101 -14.612 9.052 -2.116 1.00 40.51 N ATOM 1606 CA GLN A 101 -13.634 8.007 -2.371 1.00 22.22 C ATOM 1607 C GLN A 101 -13.048 7.467 -1.075 1.00 61.01 C ATOM 1608 O GLN A 101 -12.791 6.261 -1.008 1.00 1.51 O ATOM 1609 CB GLN A 101 -12.542 8.483 -3.342 1.00 24.24 C ATOM 1610 CG GLN A 101 -13.117 8.701 -4.752 1.00 41.45 C ATOM 1611 CD GLN A 101 -12.064 8.600 -5.855 1.00 24.04 C ATOM 1612 OE1 GLN A 101 -11.029 9.259 -5.819 1.00 0.10 O ATOM 1613 NE2 GLN A 101 -12.253 7.721 -6.831 1.00 41.21 N ATOM 0 H GLN A 101 -14.379 9.966 -2.504 1.00 40.51 H new ATOM 0 HA GLN A 101 -14.153 7.180 -2.856 1.00 22.22 H new ATOM 0 HB2 GLN A 101 -12.104 9.412 -2.976 1.00 24.24 H new ATOM 0 HB3 GLN A 101 -11.739 7.746 -3.382 1.00 24.24 H new ATOM 0 HG2 GLN A 101 -13.899 7.964 -4.936 1.00 41.45 H new ATOM 0 HG3 GLN A 101 -13.588 9.683 -4.797 1.00 41.45 H new ATOM 0 HE21 GLN A 101 -13.112 7.172 -6.864 1.00 41.21 H new ATOM 0 HE22 GLN A 101 -11.539 7.594 -7.549 1.00 41.21 H new ATOM 1622 N ALA A 102 -12.873 8.313 -0.059 1.00 21.41 N ATOM 1623 CA ALA A 102 -12.347 7.862 1.209 1.00 45.10 C ATOM 1624 C ALA A 102 -13.381 6.985 1.912 1.00 64.11 C ATOM 1625 O ALA A 102 -13.055 5.861 2.291 1.00 2.14 O ATOM 1626 CB ALA A 102 -11.982 9.068 2.088 1.00 54.44 C ATOM 0 H ALA A 102 -13.090 9.309 -0.099 1.00 21.41 H new ATOM 0 HA ALA A 102 -11.445 7.275 1.035 1.00 45.10 H new ATOM 0 HB1 ALA A 102 -11.587 8.717 3.041 1.00 54.44 H new ATOM 0 HB2 ALA A 102 -11.228 9.672 1.583 1.00 54.44 H new ATOM 0 HB3 ALA A 102 -12.872 9.672 2.265 1.00 54.44 H new ATOM 1632 N LYS A 103 -14.641 7.428 2.032 1.00 61.34 N ATOM 1633 CA LYS A 103 -15.649 6.629 2.738 1.00 40.35 C ATOM 1634 C LYS A 103 -15.910 5.298 2.062 1.00 71.31 C ATOM 1635 O LYS A 103 -16.119 4.311 2.761 1.00 54.41 O ATOM 1636 CB LYS A 103 -16.939 7.432 3.018 1.00 10.01 C ATOM 1637 CG LYS A 103 -17.797 7.679 1.767 1.00 53.31 C ATOM 1638 CD LYS A 103 -19.126 8.425 1.962 1.00 2.52 C ATOM 1639 CE LYS A 103 -20.023 7.716 2.985 1.00 2.54 C ATOM 1640 NZ LYS A 103 -21.434 8.157 2.945 1.00 23.54 N ATOM 0 H LYS A 103 -14.980 8.315 1.658 1.00 61.34 H new ATOM 0 HA LYS A 103 -15.230 6.386 3.714 1.00 40.35 H new ATOM 0 HB2 LYS A 103 -17.536 6.898 3.757 1.00 10.01 H new ATOM 0 HB3 LYS A 103 -16.670 8.392 3.459 1.00 10.01 H new ATOM 0 HG2 LYS A 103 -17.197 8.240 1.051 1.00 53.31 H new ATOM 0 HG3 LYS A 103 -18.016 6.713 1.311 1.00 53.31 H new ATOM 0 HD2 LYS A 103 -18.927 9.444 2.295 1.00 2.52 H new ATOM 0 HD3 LYS A 103 -19.647 8.497 1.008 1.00 2.52 H new ATOM 0 HE2 LYS A 103 -19.982 6.641 2.808 1.00 2.54 H new ATOM 0 HE3 LYS A 103 -19.626 7.889 3.985 1.00 2.54 H new ATOM 0 HZ1 LYS A 103 -21.981 7.637 3.661 1.00 23.54 H new ATOM 0 HZ2 LYS A 103 -21.485 9.177 3.143 1.00 23.54 H new ATOM 0 HZ3 LYS A 103 -21.830 7.967 2.002 1.00 23.54 H new ATOM 1654 N TYR A 104 -15.805 5.234 0.734 1.00 3.31 N ATOM 1655 CA TYR A 104 -16.006 4.056 -0.095 1.00 44.53 C ATOM 1656 C TYR A 104 -15.118 2.902 0.371 1.00 34.41 C ATOM 1657 O TYR A 104 -15.467 1.739 0.172 1.00 22.31 O ATOM 1658 CB TYR A 104 -15.830 4.383 -1.586 1.00 62.14 C ATOM 1659 CG TYR A 104 -17.144 4.586 -2.330 1.00 21.42 C ATOM 1660 CD1 TYR A 104 -17.397 5.788 -3.018 1.00 31.42 C ATOM 1661 CD2 TYR A 104 -18.127 3.573 -2.322 1.00 64.11 C ATOM 1662 CE1 TYR A 104 -18.638 6.005 -3.639 1.00 21.13 C ATOM 1663 CE2 TYR A 104 -19.370 3.783 -2.948 1.00 4.55 C ATOM 1664 CZ TYR A 104 -19.640 5.010 -3.596 1.00 12.44 C ATOM 1665 OH TYR A 104 -20.866 5.240 -4.145 1.00 10.32 O ATOM 0 H TYR A 104 -15.563 6.055 0.180 1.00 3.31 H new ATOM 0 HA TYR A 104 -17.038 3.724 0.023 1.00 44.53 H new ATOM 0 HB2 TYR A 104 -15.226 5.285 -1.682 1.00 62.14 H new ATOM 0 HB3 TYR A 104 -15.274 3.575 -2.062 1.00 62.14 H new ATOM 0 HD1 TYR A 104 -16.632 6.548 -3.069 1.00 31.42 H new ATOM 0 HD2 TYR A 104 -17.924 2.632 -1.833 1.00 64.11 H new ATOM 0 HE1 TYR A 104 -18.827 6.937 -4.152 1.00 21.13 H new ATOM 0 HE2 TYR A 104 -20.119 3.005 -2.933 1.00 4.55 H new ATOM 0 HH TYR A 104 -21.431 4.448 -4.026 1.00 10.32 H new ATOM 1675 N ALA A 105 -13.967 3.201 0.988 1.00 22.11 N ATOM 1676 CA ALA A 105 -13.028 2.220 1.501 1.00 60.14 C ATOM 1677 C ALA A 105 -13.729 1.236 2.442 1.00 13.23 C ATOM 1678 O ALA A 105 -13.323 0.081 2.528 1.00 22.54 O ATOM 1679 CB ALA A 105 -11.912 2.951 2.246 1.00 0.31 C ATOM 0 H ALA A 105 -13.664 4.162 1.144 1.00 22.11 H new ATOM 0 HA ALA A 105 -12.612 1.652 0.669 1.00 60.14 H new ATOM 0 HB1 ALA A 105 -11.199 2.225 2.637 1.00 0.31 H new ATOM 0 HB2 ALA A 105 -11.401 3.629 1.562 1.00 0.31 H new ATOM 0 HB3 ALA A 105 -12.338 3.521 3.071 1.00 0.31 H new ATOM 1685 N TYR A 106 -14.765 1.672 3.170 1.00 30.05 N ATOM 1686 CA TYR A 106 -15.501 0.816 4.080 1.00 22.51 C ATOM 1687 C TYR A 106 -16.079 -0.411 3.366 1.00 33.30 C ATOM 1688 O TYR A 106 -16.067 -1.504 3.932 1.00 2.11 O ATOM 1689 CB TYR A 106 -16.582 1.614 4.822 1.00 11.05 C ATOM 1690 CG TYR A 106 -17.980 1.430 4.270 1.00 62.41 C ATOM 1691 CD1 TYR A 106 -18.346 2.003 3.035 1.00 64.54 C ATOM 1692 CD2 TYR A 106 -18.870 0.567 4.940 1.00 11.22 C ATOM 1693 CE1 TYR A 106 -19.633 1.768 2.523 1.00 42.10 C ATOM 1694 CE2 TYR A 106 -20.151 0.323 4.418 1.00 11.34 C ATOM 1695 CZ TYR A 106 -20.545 0.938 3.212 1.00 31.44 C ATOM 1696 OH TYR A 106 -21.771 0.679 2.688 1.00 21.44 O ATOM 0 H TYR A 106 -15.109 2.632 3.137 1.00 30.05 H new ATOM 0 HA TYR A 106 -14.801 0.438 4.825 1.00 22.51 H new ATOM 0 HB2 TYR A 106 -16.577 1.321 5.872 1.00 11.05 H new ATOM 0 HB3 TYR A 106 -16.326 2.673 4.785 1.00 11.05 H new ATOM 0 HD1 TYR A 106 -17.645 2.616 2.488 1.00 64.54 H new ATOM 0 HD2 TYR A 106 -18.565 0.090 5.860 1.00 11.22 H new ATOM 0 HE1 TYR A 106 -19.929 2.227 1.591 1.00 42.10 H new ATOM 0 HE2 TYR A 106 -20.832 -0.334 4.939 1.00 11.34 H new ATOM 0 HH TYR A 106 -22.268 0.090 3.293 1.00 21.44 H new ATOM 1706 N GLN A 107 -16.534 -0.272 2.113 1.00 13.22 N ATOM 1707 CA GLN A 107 -17.093 -1.391 1.367 1.00 42.24 C ATOM 1708 C GLN A 107 -16.040 -2.475 1.183 1.00 3.24 C ATOM 1709 O GLN A 107 -16.363 -3.657 1.158 1.00 31.52 O ATOM 1710 CB GLN A 107 -17.605 -0.962 -0.005 1.00 1.51 C ATOM 1711 CG GLN A 107 -18.980 -0.286 0.067 1.00 13.34 C ATOM 1712 CD GLN A 107 -19.889 -0.778 -1.048 1.00 60.54 C ATOM 1713 OE1 GLN A 107 -20.845 -1.518 -0.818 1.00 53.55 O ATOM 1714 NE2 GLN A 107 -19.559 -0.471 -2.288 1.00 63.41 N ATOM 0 H GLN A 107 -16.523 0.610 1.600 1.00 13.22 H new ATOM 0 HA GLN A 107 -17.934 -1.775 1.944 1.00 42.24 H new ATOM 0 HB2 GLN A 107 -16.890 -0.276 -0.458 1.00 1.51 H new ATOM 0 HB3 GLN A 107 -17.666 -1.834 -0.656 1.00 1.51 H new ATOM 0 HG2 GLN A 107 -19.440 -0.492 1.033 1.00 13.34 H new ATOM 0 HG3 GLN A 107 -18.862 0.795 -0.006 1.00 13.34 H new ATOM 0 HE21 GLN A 107 -18.765 0.143 -2.467 1.00 63.41 H new ATOM 0 HE22 GLN A 107 -20.098 -0.848 -3.067 1.00 63.41 H new ATOM 1723 N ARG A 108 -14.784 -2.067 1.025 1.00 34.30 N ATOM 1724 CA ARG A 108 -13.644 -2.950 0.841 1.00 15.24 C ATOM 1725 C ARG A 108 -13.277 -3.578 2.184 1.00 34.43 C ATOM 1726 O ARG A 108 -12.730 -4.677 2.201 1.00 55.35 O ATOM 1727 CB ARG A 108 -12.482 -2.149 0.230 1.00 44.00 C ATOM 1728 CG ARG A 108 -12.864 -1.268 -0.978 1.00 51.11 C ATOM 1729 CD ARG A 108 -13.165 -2.142 -2.202 1.00 53.24 C ATOM 1730 NE ARG A 108 -13.497 -1.341 -3.390 1.00 62.44 N ATOM 1731 CZ ARG A 108 -13.787 -1.824 -4.606 1.00 24.04 C ATOM 1732 NH1 ARG A 108 -13.761 -3.124 -4.872 1.00 2.24 N ATOM 1733 NH2 ARG A 108 -14.129 -0.976 -5.561 1.00 20.12 N ATOM 0 H ARG A 108 -14.527 -1.080 1.022 1.00 34.30 H new ATOM 0 HA ARG A 108 -13.883 -3.761 0.153 1.00 15.24 H new ATOM 0 HB2 ARG A 108 -12.052 -1.513 1.004 1.00 44.00 H new ATOM 0 HB3 ARG A 108 -11.703 -2.846 -0.079 1.00 44.00 H new ATOM 0 HG2 ARG A 108 -13.736 -0.661 -0.733 1.00 51.11 H new ATOM 0 HG3 ARG A 108 -12.050 -0.579 -1.206 1.00 51.11 H new ATOM 0 HD2 ARG A 108 -12.301 -2.770 -2.419 1.00 53.24 H new ATOM 0 HD3 ARG A 108 -13.995 -2.811 -1.973 1.00 53.24 H new ATOM 0 HE ARG A 108 -13.507 -0.327 -3.278 1.00 62.44 H new ATOM 0 HH11 ARG A 108 -13.515 -3.790 -4.139 1.00 2.24 H new ATOM 0 HH12 ARG A 108 -13.987 -3.457 -5.809 1.00 2.24 H new ATOM 0 HH21 ARG A 108 -14.168 0.024 -5.365 1.00 20.12 H new ATOM 0 HH22 ARG A 108 -14.354 -1.322 -6.494 1.00 20.12 H new ATOM 1747 N TYR A 109 -13.532 -2.907 3.309 1.00 0.20 N ATOM 1748 CA TYR A 109 -13.252 -3.455 4.626 1.00 44.13 C ATOM 1749 C TYR A 109 -14.237 -4.595 4.867 1.00 41.31 C ATOM 1750 O TYR A 109 -13.831 -5.709 5.162 1.00 1.20 O ATOM 1751 CB TYR A 109 -13.401 -2.362 5.696 1.00 75.42 C ATOM 1752 CG TYR A 109 -13.122 -2.797 7.124 1.00 13.20 C ATOM 1753 CD1 TYR A 109 -14.071 -3.559 7.840 1.00 70.31 C ATOM 1754 CD2 TYR A 109 -11.934 -2.391 7.760 1.00 74.51 C ATOM 1755 CE1 TYR A 109 -13.827 -3.929 9.174 1.00 65.12 C ATOM 1756 CE2 TYR A 109 -11.696 -2.739 9.100 1.00 62.35 C ATOM 1757 CZ TYR A 109 -12.639 -3.510 9.810 1.00 10.30 C ATOM 1758 OH TYR A 109 -12.409 -3.805 11.115 1.00 22.04 O ATOM 0 H TYR A 109 -13.937 -1.971 3.327 1.00 0.20 H new ATOM 0 HA TYR A 109 -12.229 -3.828 4.683 1.00 44.13 H new ATOM 0 HB2 TYR A 109 -12.728 -1.542 5.447 1.00 75.42 H new ATOM 0 HB3 TYR A 109 -14.416 -1.967 5.647 1.00 75.42 H new ATOM 0 HD1 TYR A 109 -14.990 -3.860 7.360 1.00 70.31 H new ATOM 0 HD2 TYR A 109 -11.203 -1.810 7.216 1.00 74.51 H new ATOM 0 HE1 TYR A 109 -14.546 -4.531 9.710 1.00 65.12 H new ATOM 0 HE2 TYR A 109 -10.788 -2.415 9.588 1.00 62.35 H new ATOM 0 HH TYR A 109 -11.541 -3.438 11.385 1.00 22.04 H new ATOM 1768 N GLN A 110 -15.537 -4.335 4.713 1.00 20.12 N ATOM 1769 CA GLN A 110 -16.595 -5.318 4.937 1.00 64.21 C ATOM 1770 C GLN A 110 -16.494 -6.493 3.973 1.00 3.31 C ATOM 1771 O GLN A 110 -16.918 -7.594 4.298 1.00 11.44 O ATOM 1772 CB GLN A 110 -18.005 -4.699 4.875 1.00 13.31 C ATOM 1773 CG GLN A 110 -18.343 -4.127 3.494 1.00 43.50 C ATOM 1774 CD GLN A 110 -19.749 -3.563 3.335 1.00 73.41 C ATOM 1775 OE1 GLN A 110 -20.268 -2.840 4.170 1.00 0.31 O ATOM 1776 NE2 GLN A 110 -20.407 -3.862 2.227 1.00 71.54 N ATOM 0 H GLN A 110 -15.888 -3.422 4.425 1.00 20.12 H new ATOM 0 HA GLN A 110 -16.442 -5.689 5.950 1.00 64.21 H new ATOM 0 HB2 GLN A 110 -18.742 -5.458 5.139 1.00 13.31 H new ATOM 0 HB3 GLN A 110 -18.082 -3.907 5.620 1.00 13.31 H new ATOM 0 HG2 GLN A 110 -17.627 -3.338 3.264 1.00 43.50 H new ATOM 0 HG3 GLN A 110 -18.201 -4.913 2.752 1.00 43.50 H new ATOM 0 HE21 GLN A 110 -19.978 -4.466 1.526 1.00 71.54 H new ATOM 0 HE22 GLN A 110 -21.344 -3.489 2.074 1.00 71.54 H new ATOM 1785 N GLU A 111 -15.968 -6.270 2.771 1.00 43.23 N ATOM 1786 CA GLU A 111 -15.878 -7.335 1.788 1.00 2.43 C ATOM 1787 C GLU A 111 -15.088 -8.548 2.273 1.00 64.43 C ATOM 1788 O GLU A 111 -15.503 -9.696 2.109 1.00 15.14 O ATOM 1789 CB GLU A 111 -15.317 -6.774 0.484 1.00 40.03 C ATOM 1790 CG GLU A 111 -13.860 -7.020 0.136 1.00 63.44 C ATOM 1791 CD GLU A 111 -13.551 -6.490 -1.257 1.00 2.23 C ATOM 1792 OE1 GLU A 111 -13.974 -7.118 -2.255 1.00 22.40 O ATOM 1793 OE2 GLU A 111 -12.847 -5.457 -1.354 1.00 10.43 O ATOM 0 H GLU A 111 -15.602 -5.370 2.461 1.00 43.23 H new ATOM 0 HA GLU A 111 -16.887 -7.711 1.616 1.00 2.43 H new ATOM 0 HB2 GLU A 111 -15.921 -7.173 -0.331 1.00 40.03 H new ATOM 0 HB3 GLU A 111 -15.473 -5.695 0.497 1.00 40.03 H new ATOM 0 HG2 GLU A 111 -13.217 -6.532 0.869 1.00 63.44 H new ATOM 0 HG3 GLU A 111 -13.643 -8.087 0.182 1.00 63.44 H new ATOM 1800 N ARG A 112 -13.958 -8.249 2.890 1.00 20.41 N ATOM 1801 CA ARG A 112 -12.991 -9.201 3.446 1.00 4.35 C ATOM 1802 C ARG A 112 -13.090 -9.415 4.952 1.00 53.42 C ATOM 1803 O ARG A 112 -12.859 -10.527 5.414 1.00 64.31 O ATOM 1804 CB ARG A 112 -11.565 -8.693 3.176 1.00 63.43 C ATOM 1805 CG ARG A 112 -11.045 -9.086 1.792 1.00 0.30 C ATOM 1806 CD ARG A 112 -9.620 -8.554 1.609 1.00 53.22 C ATOM 1807 NE ARG A 112 -8.996 -9.110 0.402 1.00 45.22 N ATOM 1808 CZ ARG A 112 -9.253 -8.760 -0.865 1.00 54.31 C ATOM 1809 NH1 ARG A 112 -10.044 -7.736 -1.157 1.00 74.21 N ATOM 1810 NH2 ARG A 112 -8.717 -9.435 -1.867 1.00 74.04 N ATOM 0 H ARG A 112 -13.667 -7.281 3.028 1.00 20.41 H new ATOM 0 HA ARG A 112 -13.220 -10.148 2.957 1.00 4.35 H new ATOM 0 HB2 ARG A 112 -11.548 -7.607 3.270 1.00 63.43 H new ATOM 0 HB3 ARG A 112 -10.893 -9.090 3.937 1.00 63.43 H new ATOM 0 HG2 ARG A 112 -11.056 -10.170 1.683 1.00 0.30 H new ATOM 0 HG3 ARG A 112 -11.698 -8.681 1.019 1.00 0.30 H new ATOM 0 HD2 ARG A 112 -9.641 -7.466 1.542 1.00 53.22 H new ATOM 0 HD3 ARG A 112 -9.019 -8.808 2.482 1.00 53.22 H new ATOM 0 HE ARG A 112 -8.295 -9.837 0.543 1.00 45.22 H new ATOM 0 HH11 ARG A 112 -10.473 -7.193 -0.408 1.00 74.21 H new ATOM 0 HH12 ARG A 112 -10.223 -7.491 -2.131 1.00 74.21 H new ATOM 0 HH21 ARG A 112 -8.104 -10.228 -1.678 1.00 74.04 H new ATOM 0 HH22 ARG A 112 -8.917 -9.163 -2.830 1.00 74.04 H new ATOM 1824 N TYR A 113 -13.441 -8.388 5.717 1.00 45.11 N ATOM 1825 CA TYR A 113 -13.512 -8.439 7.175 1.00 31.42 C ATOM 1826 C TYR A 113 -14.933 -8.393 7.733 1.00 74.55 C ATOM 1827 O TYR A 113 -15.100 -8.403 8.950 1.00 11.23 O ATOM 1828 CB TYR A 113 -12.616 -7.319 7.732 1.00 3.52 C ATOM 1829 CG TYR A 113 -11.266 -7.183 7.027 1.00 51.41 C ATOM 1830 CD1 TYR A 113 -10.879 -5.946 6.472 1.00 15.34 C ATOM 1831 CD2 TYR A 113 -10.440 -8.311 6.841 1.00 71.13 C ATOM 1832 CE1 TYR A 113 -9.706 -5.840 5.701 1.00 13.52 C ATOM 1833 CE2 TYR A 113 -9.267 -8.213 6.072 1.00 40.44 C ATOM 1834 CZ TYR A 113 -8.900 -6.980 5.488 1.00 43.12 C ATOM 1835 OH TYR A 113 -7.788 -6.910 4.704 1.00 63.40 O ATOM 0 H TYR A 113 -13.690 -7.476 5.334 1.00 45.11 H new ATOM 0 HA TYR A 113 -13.145 -9.410 7.507 1.00 31.42 H new ATOM 0 HB2 TYR A 113 -13.149 -6.371 7.656 1.00 3.52 H new ATOM 0 HB3 TYR A 113 -12.442 -7.503 8.792 1.00 3.52 H new ATOM 0 HD1 TYR A 113 -11.489 -5.071 6.640 1.00 15.34 H new ATOM 0 HD2 TYR A 113 -10.710 -9.255 7.292 1.00 71.13 H new ATOM 0 HE1 TYR A 113 -9.423 -4.889 5.273 1.00 13.52 H new ATOM 0 HE2 TYR A 113 -8.644 -9.083 5.927 1.00 40.44 H new ATOM 0 HH TYR A 113 -7.804 -6.078 4.187 1.00 63.40 H new ATOM 1845 N GLY A 114 -15.949 -8.348 6.872 1.00 1.31 N ATOM 1846 CA GLY A 114 -17.358 -8.311 7.232 1.00 22.13 C ATOM 1847 C GLY A 114 -18.062 -9.457 6.518 1.00 1.50 C ATOM 1848 O GLY A 114 -17.713 -10.615 6.728 1.00 1.31 O ATOM 0 H GLY A 114 -15.802 -8.336 5.863 1.00 1.31 H new ATOM 0 HA2 GLY A 114 -17.477 -8.405 8.311 1.00 22.13 H new ATOM 0 HA3 GLY A 114 -17.799 -7.356 6.945 1.00 22.13 H new ATOM 1852 N ASN A 115 -19.077 -9.152 5.707 1.00 4.31 N ATOM 1853 CA ASN A 115 -19.857 -10.123 4.940 1.00 71.41 C ATOM 1854 C ASN A 115 -20.659 -9.367 3.880 1.00 23.32 C ATOM 1855 O ASN A 115 -20.678 -8.132 3.872 1.00 43.42 O ATOM 1856 CB ASN A 115 -20.860 -10.836 5.881 1.00 45.50 C ATOM 1857 CG ASN A 115 -21.027 -12.325 5.604 1.00 21.02 C ATOM 1858 OD1 ASN A 115 -20.599 -13.146 6.410 1.00 51.51 O ATOM 1859 ND2 ASN A 115 -21.680 -12.746 4.534 1.00 12.24 N ATOM 0 H ASN A 115 -19.388 -8.191 5.562 1.00 4.31 H new ATOM 0 HA ASN A 115 -19.189 -10.853 4.482 1.00 71.41 H new ATOM 0 HB2 ASN A 115 -20.530 -10.704 6.912 1.00 45.50 H new ATOM 0 HB3 ASN A 115 -21.832 -10.350 5.793 1.00 45.50 H new ATOM 0 HD21 ASN A 115 -21.824 -13.745 4.385 1.00 12.24 H new ATOM 0 HD22 ASN A 115 -22.040 -12.072 3.858 1.00 12.24 H new ATOM 1866 N LYS A 116 -21.346 -10.100 3.013 1.00 52.13 N ATOM 1867 CA LYS A 116 -22.232 -9.604 1.964 1.00 44.12 C ATOM 1868 C LYS A 116 -23.540 -10.373 2.134 1.00 74.50 C ATOM 1869 O LYS A 116 -23.548 -11.439 2.761 1.00 24.13 O ATOM 1870 CB LYS A 116 -21.674 -9.842 0.553 1.00 11.01 C ATOM 1871 CG LYS A 116 -20.526 -8.901 0.169 1.00 74.12 C ATOM 1872 CD LYS A 116 -20.141 -9.174 -1.290 1.00 2.33 C ATOM 1873 CE LYS A 116 -19.072 -8.203 -1.799 1.00 40.24 C ATOM 1874 NZ LYS A 116 -18.754 -8.460 -3.218 1.00 72.44 N ATOM 0 H LYS A 116 -21.297 -11.119 3.023 1.00 52.13 H new ATOM 0 HA LYS A 116 -22.355 -8.525 2.060 1.00 44.12 H new ATOM 0 HB2 LYS A 116 -21.325 -10.872 0.480 1.00 11.01 H new ATOM 0 HB3 LYS A 116 -22.482 -9.727 -0.170 1.00 11.01 H new ATOM 0 HG2 LYS A 116 -20.831 -7.862 0.292 1.00 74.12 H new ATOM 0 HG3 LYS A 116 -19.669 -9.062 0.823 1.00 74.12 H new ATOM 0 HD2 LYS A 116 -19.774 -10.196 -1.382 1.00 2.33 H new ATOM 0 HD3 LYS A 116 -21.028 -9.097 -1.918 1.00 2.33 H new ATOM 0 HE2 LYS A 116 -19.422 -7.177 -1.681 1.00 40.24 H new ATOM 0 HE3 LYS A 116 -18.169 -8.303 -1.197 1.00 40.24 H new ATOM 0 HZ1 LYS A 116 -18.027 -7.789 -3.538 1.00 72.44 H new ATOM 0 HZ2 LYS A 116 -18.398 -9.432 -3.324 1.00 72.44 H new ATOM 0 HZ3 LYS A 116 -19.612 -8.341 -3.793 1.00 72.44 H new ATOM 1888 N LYS A 117 -24.618 -9.859 1.543 1.00 45.12 N ATOM 1889 CA LYS A 117 -25.945 -10.451 1.580 1.00 24.03 C ATOM 1890 C LYS A 117 -26.442 -10.510 0.150 1.00 12.13 C ATOM 1891 O LYS A 117 -26.543 -9.463 -0.499 1.00 3.32 O ATOM 1892 CB LYS A 117 -26.875 -9.617 2.473 1.00 51.23 C ATOM 1893 CG LYS A 117 -28.356 -10.036 2.341 1.00 63.24 C ATOM 1894 CD LYS A 117 -29.312 -9.021 2.958 1.00 12.25 C ATOM 1895 CE LYS A 117 -29.311 -7.717 2.141 1.00 64.24 C ATOM 1896 NZ LYS A 117 -30.256 -6.708 2.661 1.00 21.13 N ATOM 0 H LYS A 117 -24.585 -8.991 1.009 1.00 45.12 H new ATOM 0 HA LYS A 117 -25.922 -11.454 2.007 1.00 24.03 H new ATOM 0 HB2 LYS A 117 -26.563 -9.720 3.512 1.00 51.23 H new ATOM 0 HB3 LYS A 117 -26.774 -8.563 2.213 1.00 51.23 H new ATOM 0 HG2 LYS A 117 -28.600 -10.165 1.287 1.00 63.24 H new ATOM 0 HG3 LYS A 117 -28.500 -11.004 2.822 1.00 63.24 H new ATOM 0 HD2 LYS A 117 -30.320 -9.435 2.992 1.00 12.25 H new ATOM 0 HD3 LYS A 117 -29.018 -8.813 3.987 1.00 12.25 H new ATOM 0 HE2 LYS A 117 -28.305 -7.297 2.139 1.00 64.24 H new ATOM 0 HE3 LYS A 117 -29.564 -7.944 1.105 1.00 64.24 H new ATOM 0 HZ1 LYS A 117 -30.211 -5.853 2.071 1.00 21.13 H new ATOM 0 HZ2 LYS A 117 -31.222 -7.093 2.639 1.00 21.13 H new ATOM 0 HZ3 LYS A 117 -30.002 -6.467 3.640 1.00 21.13 H new ATOM 1910 N SER A 118 -26.868 -11.703 -0.252 1.00 71.02 N ATOM 1911 CA SER A 118 -27.388 -12.063 -1.560 1.00 74.02 C ATOM 1912 C SER A 118 -26.384 -11.754 -2.678 1.00 74.12 C ATOM 1913 O SER A 118 -25.281 -11.237 -2.458 1.00 64.42 O ATOM 1914 CB SER A 118 -28.747 -11.373 -1.772 1.00 73.31 C ATOM 1915 OG SER A 118 -29.485 -12.006 -2.800 1.00 4.42 O ATOM 0 H SER A 118 -26.856 -12.503 0.380 1.00 71.02 H new ATOM 0 HA SER A 118 -27.543 -13.141 -1.601 1.00 74.02 H new ATOM 0 HB2 SER A 118 -29.318 -11.395 -0.844 1.00 73.31 H new ATOM 0 HB3 SER A 118 -28.590 -10.324 -2.025 1.00 73.31 H new ATOM 0 HG SER A 118 -30.345 -11.550 -2.914 1.00 4.42 H new ATOM 1921 N GLN A 119 -26.748 -12.148 -3.897 1.00 23.01 N ATOM 1922 CA GLN A 119 -25.946 -11.919 -5.080 1.00 30.13 C ATOM 1923 C GLN A 119 -26.520 -10.673 -5.741 1.00 5.42 C ATOM 1924 O GLN A 119 -26.097 -9.566 -5.398 1.00 61.41 O ATOM 1925 CB GLN A 119 -25.842 -13.170 -5.960 1.00 62.52 C ATOM 1926 CG GLN A 119 -25.022 -14.246 -5.228 1.00 72.15 C ATOM 1927 CD GLN A 119 -24.233 -15.150 -6.170 1.00 74.31 C ATOM 1928 OE1 GLN A 119 -24.375 -16.369 -6.163 1.00 75.12 O ATOM 1929 NE2 GLN A 119 -23.328 -14.584 -6.947 1.00 20.41 N ATOM 0 H GLN A 119 -27.621 -12.641 -4.085 1.00 23.01 H new ATOM 0 HA GLN A 119 -24.898 -11.730 -4.848 1.00 30.13 H new ATOM 0 HB2 GLN A 119 -26.838 -13.550 -6.189 1.00 62.52 H new ATOM 0 HB3 GLN A 119 -25.369 -12.921 -6.910 1.00 62.52 H new ATOM 0 HG2 GLN A 119 -24.331 -13.760 -4.539 1.00 72.15 H new ATOM 0 HG3 GLN A 119 -25.694 -14.858 -4.627 1.00 72.15 H new ATOM 0 HE21 GLN A 119 -23.217 -13.570 -6.946 1.00 20.41 H new ATOM 0 HE22 GLN A 119 -22.740 -15.161 -7.548 1.00 20.41 H new ATOM 1938 N ASP A 120 -27.491 -10.857 -6.625 1.00 24.25 N ATOM 1939 CA ASP A 120 -28.225 -9.857 -7.393 1.00 2.30 C ATOM 1940 C ASP A 120 -29.341 -10.638 -8.046 1.00 1.11 C ATOM 1941 O ASP A 120 -30.514 -10.478 -7.713 1.00 43.20 O ATOM 1942 CB ASP A 120 -27.336 -9.157 -8.425 1.00 73.52 C ATOM 1943 CG ASP A 120 -28.138 -8.415 -9.488 1.00 13.44 C ATOM 1944 OD1 ASP A 120 -28.625 -7.306 -9.181 1.00 40.35 O ATOM 1945 OD2 ASP A 120 -28.179 -8.918 -10.632 1.00 13.44 O ATOM 0 H ASP A 120 -27.816 -11.799 -6.844 1.00 24.25 H new ATOM 0 HA ASP A 120 -28.599 -9.049 -6.764 1.00 2.30 H new ATOM 0 HB2 ASP A 120 -26.679 -8.453 -7.914 1.00 73.52 H new ATOM 0 HB3 ASP A 120 -26.697 -9.896 -8.908 1.00 73.52 H new ATOM 1950 N LEU A 121 -28.931 -11.538 -8.933 1.00 51.21 N ATOM 1951 CA LEU A 121 -29.846 -12.403 -9.644 1.00 24.32 C ATOM 1952 C LEU A 121 -30.260 -13.550 -8.718 1.00 35.34 C ATOM 1953 O LEU A 121 -29.648 -13.788 -7.668 1.00 21.14 O ATOM 1954 CB LEU A 121 -29.209 -12.958 -10.935 1.00 11.01 C ATOM 1955 CG LEU A 121 -29.415 -12.069 -12.174 1.00 70.23 C ATOM 1956 CD1 LEU A 121 -28.570 -12.613 -13.335 1.00 73.42 C ATOM 1957 CD2 LEU A 121 -30.885 -12.044 -12.625 1.00 0.22 C ATOM 0 H LEU A 121 -27.951 -11.683 -9.175 1.00 51.21 H new ATOM 0 HA LEU A 121 -30.723 -11.826 -9.938 1.00 24.32 H new ATOM 0 HB2 LEU A 121 -28.140 -13.091 -10.771 1.00 11.01 H new ATOM 0 HB3 LEU A 121 -29.625 -13.945 -11.137 1.00 11.01 H new ATOM 0 HG LEU A 121 -29.115 -11.057 -11.904 1.00 70.23 H new ATOM 0 HD11 LEU A 121 -28.713 -11.986 -14.215 1.00 73.42 H new ATOM 0 HD12 LEU A 121 -27.517 -12.607 -13.053 1.00 73.42 H new ATOM 0 HD13 LEU A 121 -28.879 -13.633 -13.563 1.00 73.42 H new ATOM 0 HD21 LEU A 121 -30.986 -11.405 -13.502 1.00 0.22 H new ATOM 0 HD22 LEU A 121 -31.206 -13.055 -12.874 1.00 0.22 H new ATOM 0 HD23 LEU A 121 -31.506 -11.654 -11.819 1.00 0.22 H new ATOM 1969 N LYS A 122 -31.322 -14.255 -9.110 1.00 61.12 N ATOM 1970 CA LYS A 122 -31.866 -15.400 -8.394 1.00 70.52 C ATOM 1971 C LYS A 122 -31.079 -16.608 -8.875 1.00 75.34 C ATOM 1972 O LYS A 122 -30.213 -17.103 -8.130 1.00 71.03 O ATOM 1973 CB LYS A 122 -33.394 -15.504 -8.592 1.00 42.45 C ATOM 1974 CG LYS A 122 -33.843 -15.696 -10.053 1.00 3.24 C ATOM 1975 CD LYS A 122 -35.344 -15.515 -10.256 1.00 53.34 C ATOM 1976 CE LYS A 122 -35.620 -15.810 -11.736 1.00 12.22 C ATOM 1977 NZ LYS A 122 -37.056 -15.713 -12.071 1.00 44.03 N ATOM 0 H LYS A 122 -31.840 -14.035 -9.961 1.00 61.12 H new ATOM 0 HA LYS A 122 -31.753 -15.313 -7.313 1.00 70.52 H new ATOM 0 HB2 LYS A 122 -33.767 -16.339 -7.999 1.00 42.45 H new ATOM 0 HB3 LYS A 122 -33.860 -14.600 -8.199 1.00 42.45 H new ATOM 0 HG2 LYS A 122 -33.310 -14.985 -10.685 1.00 3.24 H new ATOM 0 HG3 LYS A 122 -33.557 -16.694 -10.385 1.00 3.24 H new ATOM 0 HD2 LYS A 122 -35.907 -16.192 -9.614 1.00 53.34 H new ATOM 0 HD3 LYS A 122 -35.651 -14.501 -9.998 1.00 53.34 H new ATOM 0 HE2 LYS A 122 -35.057 -15.111 -12.354 1.00 12.22 H new ATOM 0 HE3 LYS A 122 -35.260 -16.810 -11.978 1.00 12.22 H new ATOM 0 HZ1 LYS A 122 -37.192 -15.921 -13.081 1.00 44.03 H new ATOM 0 HZ2 LYS A 122 -37.592 -16.398 -11.502 1.00 44.03 H new ATOM 0 HZ3 LYS A 122 -37.396 -14.752 -11.867 1.00 44.03 H new TER 1991 LYS A 122