USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 23 SER OG : rot -106:sc= 0.567 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.26! C(o=-0.69!,f=-4.4!) USER MOD Set 2.1: A 18 CYS SG : rot 60:sc= 0.0839 USER MOD Set 2.2: A 19 GLN : amide:sc= -0.107 X(o=-0.023,f=0.45) USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0 (180deg=-0.0569) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 123:sc= 0.083 USER MOD Single : A 16 SER OG : rot -28:sc= 0.254 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 110:sc= -0.563 USER MOD Single : A 31 SER OG : rot -52:sc= 0.137 USER MOD Single : A 32 THR OG1 : rot -98:sc= 1.32 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 61:sc= 0.211 USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0.00967 (180deg=-0.384) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 42 GLN : amide:sc= -1.06 K(o=-1.1,f=-7.4!) USER MOD Single : A 44 LYS NZ :NH3+ -125:sc=-0.00882 (180deg=-0.235) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.64 K(o=-2.6,f=-4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.0352 (180deg=-0.547) USER MOD Single : A 69 ASN :FLIP amide:sc= -3.27! C(o=-4.4!,f=-3.3!) USER MOD Single : A 71 SER OG : rot -52:sc= 1.29 USER MOD Single : A 72 SER OG : rot -39:sc= 0.47 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -34:sc= 0.0645 USER MOD Single : A 107 LYS NZ :NH3+ -114:sc= -0.137 (180deg=-1.37!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.169 -0.554 -4.048 1.00 72.50 N ATOM 2 CA ALA A 1 1.107 0.013 -3.087 1.00 55.12 C ATOM 3 C ALA A 1 2.120 -1.030 -2.627 1.00 53.42 C ATOM 4 O ALA A 1 2.439 -1.118 -1.441 1.00 52.42 O ATOM 5 CB ALA A 1 0.357 0.586 -1.893 1.00 70.04 C ATOM 0 H1 ALA A 1 -0.597 0.126 -4.229 1.00 72.50 H new ATOM 0 H2 ALA A 1 0.666 -0.760 -4.938 1.00 72.50 H new ATOM 0 H3 ALA A 1 -0.232 -1.433 -3.664 1.00 72.50 H new ATOM 0 HA ALA A 1 1.652 0.818 -3.580 1.00 55.12 H new ATOM 0 HB1 ALA A 1 1.070 1.006 -1.183 1.00 70.04 H new ATOM 0 HB2 ALA A 1 -0.322 1.368 -2.231 1.00 70.04 H new ATOM 0 HB3 ALA A 1 -0.214 -0.206 -1.408 1.00 70.04 H new ATOM 11 N ILE A 2 2.621 -1.818 -3.572 1.00 42.43 N ATOM 12 CA ILE A 2 3.599 -2.854 -3.263 1.00 15.20 C ATOM 13 C ILE A 2 4.964 -2.516 -3.853 1.00 14.34 C ATOM 14 O ILE A 2 5.990 -3.029 -3.406 1.00 2.52 O ATOM 15 CB ILE A 2 3.149 -4.228 -3.793 1.00 71.04 C ATOM 16 CG1 ILE A 2 4.113 -5.320 -3.325 1.00 33.11 C ATOM 17 CG2 ILE A 2 3.062 -4.207 -5.312 1.00 54.11 C ATOM 18 CD1 ILE A 2 4.223 -5.423 -1.820 1.00 24.32 C ATOM 0 H ILE A 2 2.366 -1.759 -4.558 1.00 42.43 H new ATOM 0 HA ILE A 2 3.677 -2.900 -2.177 1.00 15.20 H new ATOM 0 HB ILE A 2 2.159 -4.448 -3.394 1.00 71.04 H new ATOM 0 HG12 ILE A 2 3.784 -6.280 -3.724 1.00 33.11 H new ATOM 0 HG13 ILE A 2 5.101 -5.124 -3.741 1.00 33.11 H new ATOM 0 HG21 ILE A 2 2.743 -5.185 -5.672 1.00 54.11 H new ATOM 0 HG22 ILE A 2 2.341 -3.452 -5.625 1.00 54.11 H new ATOM 0 HG23 ILE A 2 4.040 -3.969 -5.729 1.00 54.11 H new ATOM 0 HD11 ILE A 2 4.923 -6.217 -1.560 1.00 24.32 H new ATOM 0 HD12 ILE A 2 4.582 -4.476 -1.416 1.00 24.32 H new ATOM 0 HD13 ILE A 2 3.244 -5.650 -1.398 1.00 24.32 H new ATOM 30 N THR A 3 4.969 -1.647 -4.859 1.00 12.10 N ATOM 31 CA THR A 3 6.207 -1.239 -5.510 1.00 2.10 C ATOM 32 C THR A 3 7.219 -0.724 -4.493 1.00 23.00 C ATOM 33 O THR A 3 8.428 -0.797 -4.714 1.00 62.32 O ATOM 34 CB THR A 3 5.954 -0.145 -6.564 1.00 53.22 C ATOM 35 OG1 THR A 3 5.396 1.017 -5.940 1.00 73.10 O ATOM 36 CG2 THR A 3 5.012 -0.646 -7.649 1.00 11.14 C ATOM 0 H THR A 3 4.129 -1.212 -5.240 1.00 12.10 H new ATOM 0 HA THR A 3 6.610 -2.123 -6.004 1.00 2.10 H new ATOM 0 HB THR A 3 6.908 0.113 -7.024 1.00 53.22 H new ATOM 0 HG1 THR A 3 5.240 1.708 -6.617 1.00 73.10 H new ATOM 0 HG21 THR A 3 4.848 0.144 -8.382 1.00 11.14 H new ATOM 0 HG22 THR A 3 5.453 -1.513 -8.142 1.00 11.14 H new ATOM 0 HG23 THR A 3 4.059 -0.929 -7.201 1.00 11.14 H new ATOM 44 N ASP A 4 6.718 -0.204 -3.378 1.00 42.10 N ATOM 45 CA ASP A 4 7.579 0.322 -2.325 1.00 64.12 C ATOM 46 C ASP A 4 8.515 -0.761 -1.797 1.00 62.02 C ATOM 47 O ASP A 4 9.554 -0.463 -1.207 1.00 63.32 O ATOM 48 CB ASP A 4 6.736 0.887 -1.181 1.00 72.52 C ATOM 49 CG ASP A 4 6.250 2.295 -1.461 1.00 11.13 C ATOM 50 OD1 ASP A 4 6.996 3.063 -2.102 1.00 44.40 O ATOM 51 OD2 ASP A 4 5.123 2.629 -1.037 1.00 43.54 O ATOM 0 H ASP A 4 5.720 -0.135 -3.180 1.00 42.10 H new ATOM 0 HA ASP A 4 8.183 1.124 -2.750 1.00 64.12 H new ATOM 0 HB2 ASP A 4 5.878 0.237 -1.010 1.00 72.52 H new ATOM 0 HB3 ASP A 4 7.325 0.885 -0.264 1.00 72.52 H new ATOM 56 N ILE A 5 8.139 -2.017 -2.012 1.00 62.14 N ATOM 57 CA ILE A 5 8.945 -3.144 -1.558 1.00 50.41 C ATOM 58 C ILE A 5 9.414 -3.993 -2.734 1.00 63.41 C ATOM 59 O ILE A 5 10.589 -4.351 -2.826 1.00 23.52 O ATOM 60 CB ILE A 5 8.163 -4.035 -0.575 1.00 41.20 C ATOM 61 CG1 ILE A 5 7.142 -3.201 0.202 1.00 71.14 C ATOM 62 CG2 ILE A 5 9.119 -4.736 0.379 1.00 14.53 C ATOM 63 CD1 ILE A 5 6.382 -3.993 1.243 1.00 41.22 C ATOM 0 H ILE A 5 7.281 -2.280 -2.498 1.00 62.14 H new ATOM 0 HA ILE A 5 9.812 -2.726 -1.046 1.00 50.41 H new ATOM 0 HB ILE A 5 7.626 -4.794 -1.144 1.00 41.20 H new ATOM 0 HG12 ILE A 5 7.657 -2.374 0.691 1.00 71.14 H new ATOM 0 HG13 ILE A 5 6.432 -2.764 -0.500 1.00 71.14 H new ATOM 0 HG21 ILE A 5 8.552 -5.362 1.068 1.00 14.53 H new ATOM 0 HG22 ILE A 5 9.811 -5.357 -0.190 1.00 14.53 H new ATOM 0 HG23 ILE A 5 9.680 -3.992 0.944 1.00 14.53 H new ATOM 0 HD11 ILE A 5 5.676 -3.338 1.755 1.00 41.22 H new ATOM 0 HD12 ILE A 5 5.839 -4.804 0.758 1.00 41.22 H new ATOM 0 HD13 ILE A 5 7.083 -4.408 1.968 1.00 41.22 H new ATOM 75 N LEU A 6 8.489 -4.312 -3.633 1.00 4.11 N ATOM 76 CA LEU A 6 8.808 -5.119 -4.806 1.00 2.51 C ATOM 77 C LEU A 6 9.082 -4.233 -6.017 1.00 62.35 C ATOM 78 O LEU A 6 9.069 -3.006 -5.918 1.00 74.41 O ATOM 79 CB LEU A 6 7.661 -6.083 -5.113 1.00 41.33 C ATOM 80 CG LEU A 6 7.849 -7.523 -4.636 1.00 33.14 C ATOM 81 CD1 LEU A 6 8.293 -7.550 -3.181 1.00 41.44 C ATOM 82 CD2 LEU A 6 6.563 -8.317 -4.817 1.00 1.21 C ATOM 0 H LEU A 6 7.512 -4.024 -3.572 1.00 4.11 H new ATOM 0 HA LEU A 6 9.708 -5.694 -4.588 1.00 2.51 H new ATOM 0 HB2 LEU A 6 6.751 -5.688 -4.662 1.00 41.33 H new ATOM 0 HB3 LEU A 6 7.503 -6.096 -6.191 1.00 41.33 H new ATOM 0 HG LEU A 6 8.628 -7.987 -5.241 1.00 33.14 H new ATOM 0 HD11 LEU A 6 8.422 -8.583 -2.859 1.00 41.44 H new ATOM 0 HD12 LEU A 6 9.239 -7.018 -3.079 1.00 41.44 H new ATOM 0 HD13 LEU A 6 7.537 -7.068 -2.561 1.00 41.44 H new ATOM 0 HD21 LEU A 6 6.715 -9.340 -4.472 1.00 1.21 H new ATOM 0 HD22 LEU A 6 5.765 -7.854 -4.237 1.00 1.21 H new ATOM 0 HD23 LEU A 6 6.287 -8.327 -5.871 1.00 1.21 H new ATOM 94 N SER A 7 9.329 -4.864 -7.161 1.00 74.12 N ATOM 95 CA SER A 7 9.607 -4.134 -8.392 1.00 41.23 C ATOM 96 C SER A 7 8.539 -4.416 -9.445 1.00 1.23 C ATOM 97 O SER A 7 8.312 -5.565 -9.822 1.00 42.22 O ATOM 98 CB SER A 7 10.986 -4.514 -8.935 1.00 4.45 C ATOM 99 OG SER A 7 11.933 -3.489 -8.684 1.00 32.14 O ATOM 0 H SER A 7 9.342 -5.879 -7.261 1.00 74.12 H new ATOM 0 HA SER A 7 9.595 -3.068 -8.163 1.00 41.23 H new ATOM 0 HB2 SER A 7 11.319 -5.443 -8.472 1.00 4.45 H new ATOM 0 HB3 SER A 7 10.920 -4.698 -10.007 1.00 4.45 H new ATOM 0 HG SER A 7 12.806 -3.757 -9.039 1.00 32.14 H new ATOM 105 N ALA A 8 7.886 -3.358 -9.914 1.00 41.31 N ATOM 106 CA ALA A 8 6.843 -3.490 -10.924 1.00 44.20 C ATOM 107 C ALA A 8 7.412 -4.027 -12.233 1.00 50.11 C ATOM 108 O ALA A 8 6.672 -4.500 -13.096 1.00 20.53 O ATOM 109 CB ALA A 8 6.159 -2.151 -11.154 1.00 14.41 C ATOM 0 H ALA A 8 8.061 -2.400 -9.611 1.00 41.31 H new ATOM 0 HA ALA A 8 6.105 -4.204 -10.558 1.00 44.20 H new ATOM 0 HB1 ALA A 8 5.383 -2.264 -11.911 1.00 14.41 H new ATOM 0 HB2 ALA A 8 5.710 -1.807 -10.222 1.00 14.41 H new ATOM 0 HB3 ALA A 8 6.893 -1.421 -11.494 1.00 14.41 H new ATOM 115 N LYS A 9 8.731 -3.950 -12.376 1.00 13.23 N ATOM 116 CA LYS A 9 9.400 -4.429 -13.579 1.00 51.44 C ATOM 117 C LYS A 9 9.889 -5.862 -13.397 1.00 1.35 C ATOM 118 O LYS A 9 10.343 -6.499 -14.347 1.00 40.22 O ATOM 119 CB LYS A 9 10.578 -3.517 -13.930 1.00 22.04 C ATOM 120 CG LYS A 9 10.937 -3.526 -15.406 1.00 34.14 C ATOM 121 CD LYS A 9 11.680 -2.263 -15.807 1.00 14.12 C ATOM 122 CE LYS A 9 11.489 -1.949 -17.283 1.00 21.21 C ATOM 123 NZ LYS A 9 12.549 -1.038 -17.798 1.00 34.24 N ATOM 0 H LYS A 9 9.358 -3.560 -11.672 1.00 13.23 H new ATOM 0 HA LYS A 9 8.679 -4.412 -14.396 1.00 51.44 H new ATOM 0 HB2 LYS A 9 10.339 -2.497 -13.629 1.00 22.04 H new ATOM 0 HB3 LYS A 9 11.449 -3.824 -13.351 1.00 22.04 H new ATOM 0 HG2 LYS A 9 11.554 -4.397 -15.626 1.00 34.14 H new ATOM 0 HG3 LYS A 9 10.029 -3.620 -16.002 1.00 34.14 H new ATOM 0 HD2 LYS A 9 11.326 -1.425 -15.207 1.00 14.12 H new ATOM 0 HD3 LYS A 9 12.742 -2.381 -15.594 1.00 14.12 H new ATOM 0 HE2 LYS A 9 11.497 -2.876 -17.856 1.00 21.21 H new ATOM 0 HE3 LYS A 9 10.512 -1.491 -17.433 1.00 21.21 H new ATOM 0 HZ1 LYS A 9 12.383 -0.848 -18.807 1.00 34.24 H new ATOM 0 HZ2 LYS A 9 12.525 -0.143 -17.269 1.00 34.24 H new ATOM 0 HZ3 LYS A 9 13.480 -1.486 -17.678 1.00 34.24 H new ATOM 137 N ASP A 10 9.792 -6.363 -12.170 1.00 44.11 N ATOM 138 CA ASP A 10 10.223 -7.722 -11.863 1.00 72.14 C ATOM 139 C ASP A 10 9.021 -8.637 -11.647 1.00 42.21 C ATOM 140 O ASP A 10 9.062 -9.821 -11.982 1.00 24.22 O ATOM 141 CB ASP A 10 11.115 -7.729 -10.621 1.00 60.32 C ATOM 142 CG ASP A 10 12.391 -6.935 -10.820 1.00 61.33 C ATOM 143 OD1 ASP A 10 12.651 -6.508 -11.964 1.00 60.14 O ATOM 144 OD2 ASP A 10 13.130 -6.742 -9.832 1.00 42.22 O ATOM 0 H ASP A 10 9.419 -5.848 -11.372 1.00 44.11 H new ATOM 0 HA ASP A 10 10.794 -8.096 -12.712 1.00 72.14 H new ATOM 0 HB2 ASP A 10 10.562 -7.316 -9.778 1.00 60.32 H new ATOM 0 HB3 ASP A 10 11.367 -8.758 -10.364 1.00 60.32 H new ATOM 149 N ILE A 11 7.954 -8.080 -11.085 1.00 52.01 N ATOM 150 CA ILE A 11 6.741 -8.846 -10.824 1.00 43.24 C ATOM 151 C ILE A 11 6.132 -9.368 -12.121 1.00 34.11 C ATOM 152 O ILE A 11 5.863 -10.561 -12.255 1.00 30.43 O ATOM 153 CB ILE A 11 5.691 -8.001 -10.080 1.00 53.43 C ATOM 154 CG1 ILE A 11 6.231 -7.558 -8.719 1.00 23.31 C ATOM 155 CG2 ILE A 11 4.399 -8.788 -9.913 1.00 44.42 C ATOM 156 CD1 ILE A 11 5.555 -6.320 -8.173 1.00 72.24 C ATOM 0 H ILE A 11 7.904 -7.101 -10.802 1.00 52.01 H new ATOM 0 HA ILE A 11 7.028 -9.689 -10.195 1.00 43.24 H new ATOM 0 HB ILE A 11 5.478 -7.111 -10.672 1.00 53.43 H new ATOM 0 HG12 ILE A 11 6.108 -8.373 -8.006 1.00 23.31 H new ATOM 0 HG13 ILE A 11 7.301 -7.369 -8.806 1.00 23.31 H new ATOM 0 HG21 ILE A 11 3.667 -8.177 -9.385 1.00 44.42 H new ATOM 0 HG22 ILE A 11 4.008 -9.057 -10.894 1.00 44.42 H new ATOM 0 HG23 ILE A 11 4.596 -9.694 -9.340 1.00 44.42 H new ATOM 0 HD11 ILE A 11 5.989 -6.065 -7.206 1.00 72.24 H new ATOM 0 HD12 ILE A 11 5.700 -5.491 -8.866 1.00 72.24 H new ATOM 0 HD13 ILE A 11 4.489 -6.511 -8.053 1.00 72.24 H new ATOM 168 N GLU A 12 5.918 -8.466 -13.074 1.00 13.15 N ATOM 169 CA GLU A 12 5.341 -8.837 -14.360 1.00 55.23 C ATOM 170 C GLU A 12 6.328 -9.660 -15.182 1.00 71.14 C ATOM 171 O GLU A 12 5.933 -10.434 -16.054 1.00 54.23 O ATOM 172 CB GLU A 12 4.930 -7.586 -15.140 1.00 13.24 C ATOM 173 CG GLU A 12 3.696 -6.898 -14.580 1.00 0.22 C ATOM 174 CD GLU A 12 3.474 -5.522 -15.177 1.00 75.05 C ATOM 175 OE1 GLU A 12 2.997 -5.445 -16.329 1.00 43.21 O ATOM 176 OE2 GLU A 12 3.776 -4.522 -14.492 1.00 72.45 O ATOM 0 H GLU A 12 6.136 -7.474 -12.979 1.00 13.15 H new ATOM 0 HA GLU A 12 4.457 -9.445 -14.170 1.00 55.23 H new ATOM 0 HB2 GLU A 12 5.760 -6.880 -15.141 1.00 13.24 H new ATOM 0 HB3 GLU A 12 4.743 -7.860 -16.178 1.00 13.24 H new ATOM 0 HG2 GLU A 12 2.820 -7.518 -14.771 1.00 0.22 H new ATOM 0 HG3 GLU A 12 3.794 -6.809 -13.498 1.00 0.22 H new ATOM 183 N SER A 13 7.615 -9.487 -14.898 1.00 13.20 N ATOM 184 CA SER A 13 8.660 -10.210 -15.613 1.00 52.32 C ATOM 185 C SER A 13 8.943 -11.554 -14.949 1.00 12.31 C ATOM 186 O SER A 13 9.876 -12.261 -15.327 1.00 3.12 O ATOM 187 CB SER A 13 9.941 -9.375 -15.668 1.00 32.12 C ATOM 188 OG SER A 13 9.874 -8.406 -16.699 1.00 45.14 O ATOM 0 H SER A 13 7.959 -8.852 -14.178 1.00 13.20 H new ATOM 0 HA SER A 13 8.311 -10.393 -16.629 1.00 52.32 H new ATOM 0 HB2 SER A 13 10.098 -8.880 -14.709 1.00 32.12 H new ATOM 0 HB3 SER A 13 10.798 -10.028 -15.834 1.00 32.12 H new ATOM 0 HG SER A 13 10.009 -7.513 -16.318 1.00 45.14 H new ATOM 194 N ALA A 14 8.129 -11.899 -13.956 1.00 43.13 N ATOM 195 CA ALA A 14 8.290 -13.158 -13.240 1.00 32.02 C ATOM 196 C ALA A 14 6.950 -13.864 -13.064 1.00 33.05 C ATOM 197 O ALA A 14 6.859 -14.883 -12.378 1.00 33.22 O ATOM 198 CB ALA A 14 8.943 -12.916 -11.887 1.00 60.11 C ATOM 0 H ALA A 14 7.352 -11.324 -13.630 1.00 43.13 H new ATOM 0 HA ALA A 14 8.937 -13.805 -13.833 1.00 32.02 H new ATOM 0 HB1 ALA A 14 9.057 -13.865 -11.363 1.00 60.11 H new ATOM 0 HB2 ALA A 14 9.923 -12.461 -12.032 1.00 60.11 H new ATOM 0 HB3 ALA A 14 8.317 -12.248 -11.295 1.00 60.11 H new ATOM 204 N LEU A 15 5.912 -13.316 -13.686 1.00 34.35 N ATOM 205 CA LEU A 15 4.575 -13.894 -13.597 1.00 12.32 C ATOM 206 C LEU A 15 4.388 -14.996 -14.634 1.00 20.51 C ATOM 207 O LEU A 15 4.111 -16.145 -14.290 1.00 32.41 O ATOM 208 CB LEU A 15 3.515 -12.808 -13.793 1.00 70.33 C ATOM 209 CG LEU A 15 2.973 -12.161 -12.518 1.00 41.35 C ATOM 210 CD1 LEU A 15 2.076 -10.981 -12.859 1.00 0.21 C ATOM 211 CD2 LEU A 15 2.218 -13.182 -11.681 1.00 24.54 C ATOM 0 H LEU A 15 5.970 -12.473 -14.257 1.00 34.35 H new ATOM 0 HA LEU A 15 4.460 -14.331 -12.605 1.00 12.32 H new ATOM 0 HB2 LEU A 15 3.938 -12.025 -14.422 1.00 70.33 H new ATOM 0 HB3 LEU A 15 2.678 -13.240 -14.341 1.00 70.33 H new ATOM 0 HG LEU A 15 3.816 -11.794 -11.933 1.00 41.35 H new ATOM 0 HD11 LEU A 15 1.699 -10.533 -11.940 1.00 0.21 H new ATOM 0 HD12 LEU A 15 2.647 -10.239 -13.417 1.00 0.21 H new ATOM 0 HD13 LEU A 15 1.238 -11.324 -13.465 1.00 0.21 H new ATOM 0 HD21 LEU A 15 1.840 -12.704 -10.778 1.00 24.54 H new ATOM 0 HD22 LEU A 15 1.383 -13.580 -12.258 1.00 24.54 H new ATOM 0 HD23 LEU A 15 2.889 -13.996 -11.407 1.00 24.54 H new ATOM 223 N SER A 16 4.544 -14.639 -15.905 1.00 31.23 N ATOM 224 CA SER A 16 4.391 -15.598 -16.993 1.00 31.15 C ATOM 225 C SER A 16 5.737 -15.898 -17.646 1.00 13.03 C ATOM 226 O SER A 16 5.867 -16.849 -18.416 1.00 60.02 O ATOM 227 CB SER A 16 3.412 -15.063 -18.039 1.00 15.53 C ATOM 228 OG SER A 16 3.272 -15.970 -19.118 1.00 75.01 O ATOM 0 H SER A 16 4.776 -13.693 -16.207 1.00 31.23 H new ATOM 0 HA SER A 16 3.995 -16.524 -16.575 1.00 31.15 H new ATOM 0 HB2 SER A 16 2.440 -14.890 -17.577 1.00 15.53 H new ATOM 0 HB3 SER A 16 3.763 -14.101 -18.412 1.00 15.53 H new ATOM 0 HG SER A 16 4.095 -16.492 -19.215 1.00 75.01 H new ATOM 234 N SER A 17 6.735 -15.079 -17.332 1.00 4.05 N ATOM 235 CA SER A 17 8.071 -15.253 -17.890 1.00 41.11 C ATOM 236 C SER A 17 8.564 -16.682 -17.684 1.00 41.04 C ATOM 237 O SER A 17 9.073 -17.314 -18.611 1.00 31.21 O ATOM 238 CB SER A 17 9.048 -14.267 -17.247 1.00 1.20 C ATOM 239 OG SER A 17 9.950 -13.744 -18.206 1.00 44.25 O ATOM 0 H SER A 17 6.644 -14.288 -16.694 1.00 4.05 H new ATOM 0 HA SER A 17 8.019 -15.056 -18.961 1.00 41.11 H new ATOM 0 HB2 SER A 17 8.494 -13.452 -16.782 1.00 1.20 H new ATOM 0 HB3 SER A 17 9.605 -14.767 -16.454 1.00 1.20 H new ATOM 0 HG SER A 17 10.563 -13.115 -17.770 1.00 44.25 H new ATOM 245 N CYS A 18 8.410 -17.184 -16.464 1.00 75.35 N ATOM 246 CA CYS A 18 8.839 -18.539 -16.135 1.00 43.22 C ATOM 247 C CYS A 18 7.691 -19.529 -16.299 1.00 15.43 C ATOM 248 O CYS A 18 7.755 -20.655 -15.807 1.00 42.12 O ATOM 249 CB CYS A 18 9.375 -18.592 -14.704 1.00 31.43 C ATOM 250 SG CYS A 18 8.156 -18.154 -13.443 1.00 34.25 S ATOM 0 H CYS A 18 7.991 -16.674 -15.686 1.00 75.35 H new ATOM 0 HA CYS A 18 9.635 -18.819 -16.824 1.00 43.22 H new ATOM 0 HB2 CYS A 18 9.745 -19.597 -14.503 1.00 31.43 H new ATOM 0 HB3 CYS A 18 10.227 -17.917 -14.621 1.00 31.43 H new ATOM 0 HG CYS A 18 7.150 -18.975 -13.508 1.00 34.25 H new ATOM 256 N GLN A 19 6.640 -19.099 -16.991 1.00 22.12 N ATOM 257 CA GLN A 19 5.476 -19.947 -17.216 1.00 70.45 C ATOM 258 C GLN A 19 5.295 -20.239 -18.702 1.00 71.24 C ATOM 259 O GLN A 19 4.293 -20.824 -19.112 1.00 72.14 O ATOM 260 CB GLN A 19 4.217 -19.281 -16.658 1.00 62.23 C ATOM 261 CG GLN A 19 4.335 -18.887 -15.195 1.00 23.53 C ATOM 262 CD GLN A 19 4.356 -20.087 -14.268 1.00 14.34 C ATOM 263 OE1 GLN A 19 5.258 -20.233 -13.443 1.00 64.42 O ATOM 264 NE2 GLN A 19 3.357 -20.953 -14.397 1.00 43.35 N ATOM 0 H GLN A 19 6.571 -18.169 -17.405 1.00 22.12 H new ATOM 0 HA GLN A 19 5.640 -20.891 -16.696 1.00 70.45 H new ATOM 0 HB2 GLN A 19 3.994 -18.392 -17.248 1.00 62.23 H new ATOM 0 HB3 GLN A 19 3.374 -19.961 -16.776 1.00 62.23 H new ATOM 0 HG2 GLN A 19 5.246 -18.306 -15.051 1.00 23.53 H new ATOM 0 HG3 GLN A 19 3.499 -18.241 -14.928 1.00 23.53 H new ATOM 0 HE21 GLN A 19 2.630 -20.793 -15.094 1.00 43.35 H new ATOM 0 HE22 GLN A 19 3.317 -21.778 -13.799 1.00 43.35 H new ATOM 273 N ALA A 20 6.271 -19.827 -19.505 1.00 21.25 N ATOM 274 CA ALA A 20 6.220 -20.046 -20.945 1.00 10.13 C ATOM 275 C ALA A 20 6.484 -21.508 -21.288 1.00 32.13 C ATOM 276 O ALA A 20 7.570 -21.862 -21.746 1.00 12.22 O ATOM 277 CB ALA A 20 7.224 -19.147 -21.651 1.00 52.31 C ATOM 0 H ALA A 20 7.107 -19.340 -19.182 1.00 21.25 H new ATOM 0 HA ALA A 20 5.217 -19.795 -21.290 1.00 10.13 H new ATOM 0 HB1 ALA A 20 7.175 -19.321 -22.726 1.00 52.31 H new ATOM 0 HB2 ALA A 20 6.989 -18.104 -21.441 1.00 52.31 H new ATOM 0 HB3 ALA A 20 8.229 -19.371 -21.292 1.00 52.31 H new ATOM 283 N ALA A 21 5.484 -22.354 -21.062 1.00 53.21 N ATOM 284 CA ALA A 21 5.608 -23.778 -21.349 1.00 12.54 C ATOM 285 C ALA A 21 6.678 -24.422 -20.474 1.00 72.30 C ATOM 286 O ALA A 21 7.372 -25.344 -20.904 1.00 10.22 O ATOM 287 CB ALA A 21 5.926 -23.994 -22.821 1.00 13.13 C ATOM 0 H ALA A 21 4.579 -22.078 -20.681 1.00 53.21 H new ATOM 0 HA ALA A 21 4.654 -24.254 -21.122 1.00 12.54 H new ATOM 0 HB1 ALA A 21 6.016 -25.062 -23.021 1.00 13.13 H new ATOM 0 HB2 ALA A 21 5.125 -23.577 -23.431 1.00 13.13 H new ATOM 0 HB3 ALA A 21 6.865 -23.499 -23.067 1.00 13.13 H new ATOM 293 N ASP A 22 6.806 -23.932 -19.246 1.00 42.32 N ATOM 294 CA ASP A 22 7.792 -24.461 -18.311 1.00 0.32 C ATOM 295 C ASP A 22 9.203 -24.050 -18.719 1.00 4.34 C ATOM 296 O ASP A 22 10.163 -24.788 -18.499 1.00 64.33 O ATOM 297 CB ASP A 22 7.692 -25.985 -18.239 1.00 70.21 C ATOM 298 CG ASP A 22 7.903 -26.514 -16.834 1.00 43.11 C ATOM 299 OD1 ASP A 22 9.071 -26.741 -16.456 1.00 22.15 O ATOM 300 OD2 ASP A 22 6.901 -26.701 -16.113 1.00 74.32 O ATOM 0 H ASP A 22 6.239 -23.169 -18.875 1.00 42.32 H new ATOM 0 HA ASP A 22 7.582 -24.044 -17.326 1.00 0.32 H new ATOM 0 HB2 ASP A 22 6.712 -26.299 -18.599 1.00 70.21 H new ATOM 0 HB3 ASP A 22 8.433 -26.427 -18.905 1.00 70.21 H new ATOM 305 N SER A 23 9.321 -22.867 -19.314 1.00 62.21 N ATOM 306 CA SER A 23 10.615 -22.360 -19.757 1.00 75.03 C ATOM 307 C SER A 23 11.648 -22.456 -18.639 1.00 71.30 C ATOM 308 O SER A 23 12.665 -23.137 -18.775 1.00 32.14 O ATOM 309 CB SER A 23 10.484 -20.909 -20.223 1.00 44.33 C ATOM 310 OG SER A 23 11.736 -20.394 -20.645 1.00 74.55 O ATOM 0 H SER A 23 8.537 -22.242 -19.500 1.00 62.21 H new ATOM 0 HA SER A 23 10.952 -22.974 -20.592 1.00 75.03 H new ATOM 0 HB2 SER A 23 9.768 -20.850 -21.043 1.00 44.33 H new ATOM 0 HB3 SER A 23 10.090 -20.297 -19.411 1.00 44.33 H new ATOM 0 HG SER A 23 12.080 -19.775 -19.968 1.00 74.55 H new ATOM 316 N PHE A 24 11.380 -21.769 -17.534 1.00 31.35 N ATOM 317 CA PHE A 24 12.286 -21.775 -16.391 1.00 30.50 C ATOM 318 C PHE A 24 13.736 -21.646 -16.846 1.00 45.45 C ATOM 319 O PHE A 24 14.580 -22.475 -16.510 1.00 63.34 O ATOM 320 CB PHE A 24 12.108 -23.060 -15.579 1.00 12.23 C ATOM 321 CG PHE A 24 12.374 -22.883 -14.111 1.00 40.31 C ATOM 322 CD1 PHE A 24 13.467 -22.152 -13.675 1.00 44.32 C ATOM 323 CD2 PHE A 24 11.531 -23.447 -13.167 1.00 53.25 C ATOM 324 CE1 PHE A 24 13.715 -21.988 -12.325 1.00 40.14 C ATOM 325 CE2 PHE A 24 11.773 -23.286 -11.816 1.00 61.02 C ATOM 326 CZ PHE A 24 12.866 -22.555 -11.395 1.00 2.32 C ATOM 0 H PHE A 24 10.543 -21.201 -17.405 1.00 31.35 H new ATOM 0 HA PHE A 24 12.043 -20.919 -15.762 1.00 30.50 H new ATOM 0 HB2 PHE A 24 11.091 -23.428 -15.714 1.00 12.23 H new ATOM 0 HB3 PHE A 24 12.778 -23.825 -15.972 1.00 12.23 H new ATOM 0 HD1 PHE A 24 14.133 -21.705 -14.398 1.00 44.32 H new ATOM 0 HD2 PHE A 24 10.674 -24.019 -13.491 1.00 53.25 H new ATOM 0 HE1 PHE A 24 14.572 -21.417 -11.998 1.00 40.14 H new ATOM 0 HE2 PHE A 24 11.108 -23.731 -11.091 1.00 61.02 H new ATOM 0 HZ PHE A 24 13.057 -22.427 -10.340 1.00 2.32 H new ATOM 336 N ASN A 25 14.018 -20.598 -17.614 1.00 53.14 N ATOM 337 CA ASN A 25 15.366 -20.359 -18.118 1.00 15.03 C ATOM 338 C ASN A 25 16.252 -19.754 -17.033 1.00 71.22 C ATOM 339 O ASN A 25 15.758 -19.212 -16.044 1.00 63.11 O ATOM 340 CB ASN A 25 15.321 -19.430 -19.333 1.00 24.12 C ATOM 341 CG ASN A 25 14.374 -18.263 -19.134 1.00 75.13 C ATOM 342 OD1 ASN A 25 13.169 -18.450 -18.964 1.00 54.33 O ATOM 343 ND2 ASN A 25 14.915 -17.051 -19.155 1.00 43.14 N ATOM 0 H ASN A 25 13.331 -19.901 -17.901 1.00 53.14 H new ATOM 0 HA ASN A 25 15.791 -21.317 -18.417 1.00 15.03 H new ATOM 0 HB2 ASN A 25 16.323 -19.051 -19.534 1.00 24.12 H new ATOM 0 HB3 ASN A 25 15.013 -19.999 -20.210 1.00 24.12 H new ATOM 0 HD21 ASN A 25 14.327 -16.228 -19.027 1.00 43.14 H new ATOM 0 HD22 ASN A 25 15.919 -16.943 -19.299 1.00 43.14 H new ATOM 350 N TYR A 26 17.563 -19.851 -17.226 1.00 54.34 N ATOM 351 CA TYR A 26 18.518 -19.315 -16.264 1.00 64.03 C ATOM 352 C TYR A 26 18.383 -17.800 -16.148 1.00 11.14 C ATOM 353 O TYR A 26 18.650 -17.220 -15.095 1.00 51.51 O ATOM 354 CB TYR A 26 19.946 -19.680 -16.675 1.00 31.54 C ATOM 355 CG TYR A 26 20.317 -19.208 -18.062 1.00 71.11 C ATOM 356 CD1 TYR A 26 20.726 -17.899 -18.286 1.00 20.32 C ATOM 357 CD2 TYR A 26 20.259 -20.071 -19.150 1.00 22.25 C ATOM 358 CE1 TYR A 26 21.065 -17.463 -19.552 1.00 61.40 C ATOM 359 CE2 TYR A 26 20.598 -19.644 -20.419 1.00 71.41 C ATOM 360 CZ TYR A 26 21.000 -18.340 -20.615 1.00 53.43 C ATOM 361 OH TYR A 26 21.338 -17.910 -21.878 1.00 10.31 O ATOM 0 H TYR A 26 17.988 -20.296 -18.040 1.00 54.34 H new ATOM 0 HA TYR A 26 18.302 -19.757 -15.291 1.00 64.03 H new ATOM 0 HB2 TYR A 26 20.643 -19.250 -15.956 1.00 31.54 H new ATOM 0 HB3 TYR A 26 20.064 -20.762 -16.625 1.00 31.54 H new ATOM 0 HD1 TYR A 26 20.780 -17.210 -17.456 1.00 20.32 H new ATOM 0 HD2 TYR A 26 19.943 -21.093 -19.001 1.00 22.25 H new ATOM 0 HE1 TYR A 26 21.379 -16.442 -19.709 1.00 61.40 H new ATOM 0 HE2 TYR A 26 20.548 -20.328 -21.253 1.00 71.41 H new ATOM 0 HH TYR A 26 21.239 -18.650 -22.513 1.00 10.31 H new ATOM 371 N LYS A 27 17.965 -17.164 -17.237 1.00 61.31 N ATOM 372 CA LYS A 27 17.791 -15.717 -17.260 1.00 0.25 C ATOM 373 C LYS A 27 16.577 -15.302 -16.435 1.00 55.01 C ATOM 374 O LYS A 27 16.609 -14.295 -15.728 1.00 51.34 O ATOM 375 CB LYS A 27 17.636 -15.223 -18.700 1.00 34.52 C ATOM 376 CG LYS A 27 18.779 -14.339 -19.167 1.00 21.44 C ATOM 377 CD LYS A 27 18.554 -12.887 -18.781 1.00 3.01 C ATOM 378 CE LYS A 27 19.344 -12.512 -17.536 1.00 64.14 C ATOM 379 NZ LYS A 27 19.758 -11.081 -17.552 1.00 34.52 N ATOM 0 H LYS A 27 17.740 -17.629 -18.117 1.00 61.31 H new ATOM 0 HA LYS A 27 18.679 -15.263 -16.821 1.00 0.25 H new ATOM 0 HB2 LYS A 27 17.559 -16.084 -19.364 1.00 34.52 H new ATOM 0 HB3 LYS A 27 16.701 -14.669 -18.786 1.00 34.52 H new ATOM 0 HG2 LYS A 27 19.714 -14.691 -18.732 1.00 21.44 H new ATOM 0 HG3 LYS A 27 18.882 -14.417 -20.249 1.00 21.44 H new ATOM 0 HD2 LYS A 27 18.847 -12.240 -19.608 1.00 3.01 H new ATOM 0 HD3 LYS A 27 17.492 -12.717 -18.604 1.00 3.01 H new ATOM 0 HE2 LYS A 27 18.739 -12.705 -16.650 1.00 64.14 H new ATOM 0 HE3 LYS A 27 20.228 -13.145 -17.462 1.00 64.14 H new ATOM 0 HZ1 LYS A 27 20.294 -10.865 -16.687 1.00 34.52 H new ATOM 0 HZ2 LYS A 27 20.356 -10.902 -18.384 1.00 34.52 H new ATOM 0 HZ3 LYS A 27 18.913 -10.476 -17.596 1.00 34.52 H new ATOM 393 N SER A 28 15.507 -16.086 -16.530 1.00 1.35 N ATOM 394 CA SER A 28 14.281 -15.798 -15.794 1.00 63.10 C ATOM 395 C SER A 28 14.546 -15.759 -14.292 1.00 15.21 C ATOM 396 O SER A 28 14.083 -14.858 -13.592 1.00 2.31 O ATOM 397 CB SER A 28 13.214 -16.849 -16.108 1.00 44.44 C ATOM 398 OG SER A 28 12.079 -16.687 -15.276 1.00 52.03 O ATOM 0 H SER A 28 15.464 -16.925 -17.109 1.00 1.35 H new ATOM 0 HA SER A 28 13.920 -14.819 -16.107 1.00 63.10 H new ATOM 0 HB2 SER A 28 12.917 -16.769 -17.154 1.00 44.44 H new ATOM 0 HB3 SER A 28 13.630 -17.847 -15.970 1.00 44.44 H new ATOM 0 HG SER A 28 11.325 -16.361 -15.811 1.00 52.03 H new ATOM 404 N PHE A 29 15.293 -16.743 -13.803 1.00 74.21 N ATOM 405 CA PHE A 29 15.619 -16.823 -12.384 1.00 74.10 C ATOM 406 C PHE A 29 16.373 -15.577 -11.928 1.00 73.41 C ATOM 407 O PHE A 29 16.352 -15.222 -10.749 1.00 65.34 O ATOM 408 CB PHE A 29 16.456 -18.072 -12.101 1.00 21.00 C ATOM 409 CG PHE A 29 16.964 -18.146 -10.689 1.00 72.14 C ATOM 410 CD1 PHE A 29 18.127 -17.490 -10.322 1.00 45.43 C ATOM 411 CD2 PHE A 29 16.278 -18.873 -9.730 1.00 13.34 C ATOM 412 CE1 PHE A 29 18.597 -17.555 -9.024 1.00 63.41 C ATOM 413 CE2 PHE A 29 16.742 -18.942 -8.430 1.00 5.42 C ATOM 414 CZ PHE A 29 17.904 -18.283 -8.077 1.00 23.31 C ATOM 0 H PHE A 29 15.684 -17.496 -14.369 1.00 74.21 H new ATOM 0 HA PHE A 29 14.685 -16.886 -11.825 1.00 74.10 H new ATOM 0 HB2 PHE A 29 15.855 -18.957 -12.309 1.00 21.00 H new ATOM 0 HB3 PHE A 29 17.304 -18.094 -12.785 1.00 21.00 H new ATOM 0 HD1 PHE A 29 18.673 -16.921 -11.059 1.00 45.43 H new ATOM 0 HD2 PHE A 29 15.370 -19.392 -10.001 1.00 13.34 H new ATOM 0 HE1 PHE A 29 19.505 -17.037 -8.751 1.00 63.41 H new ATOM 0 HE2 PHE A 29 16.197 -19.510 -7.691 1.00 5.42 H new ATOM 0 HZ PHE A 29 18.270 -18.337 -7.062 1.00 23.31 H new ATOM 424 N PHE A 30 17.038 -14.918 -12.871 1.00 10.24 N ATOM 425 CA PHE A 30 17.800 -13.712 -12.567 1.00 24.52 C ATOM 426 C PHE A 30 16.888 -12.490 -12.516 1.00 63.31 C ATOM 427 O PHE A 30 17.073 -11.598 -11.688 1.00 70.41 O ATOM 428 CB PHE A 30 18.898 -13.501 -13.612 1.00 10.23 C ATOM 429 CG PHE A 30 19.842 -14.663 -13.733 1.00 51.34 C ATOM 430 CD1 PHE A 30 20.131 -15.455 -12.634 1.00 63.35 C ATOM 431 CD2 PHE A 30 20.440 -14.962 -14.947 1.00 23.02 C ATOM 432 CE1 PHE A 30 20.999 -16.526 -12.743 1.00 43.41 C ATOM 433 CE2 PHE A 30 21.309 -16.031 -15.062 1.00 35.14 C ATOM 434 CZ PHE A 30 21.589 -16.813 -13.958 1.00 64.11 C ATOM 0 H PHE A 30 17.065 -15.198 -13.851 1.00 10.24 H new ATOM 0 HA PHE A 30 18.260 -13.840 -11.587 1.00 24.52 H new ATOM 0 HB2 PHE A 30 18.435 -13.317 -14.581 1.00 10.23 H new ATOM 0 HB3 PHE A 30 19.466 -12.607 -13.355 1.00 10.23 H new ATOM 0 HD1 PHE A 30 19.673 -15.234 -11.681 1.00 63.35 H new ATOM 0 HD2 PHE A 30 20.225 -14.353 -15.813 1.00 23.02 H new ATOM 0 HE1 PHE A 30 21.215 -17.137 -11.879 1.00 43.41 H new ATOM 0 HE2 PHE A 30 21.768 -16.255 -16.014 1.00 35.14 H new ATOM 0 HZ PHE A 30 22.269 -17.648 -14.045 1.00 64.11 H new ATOM 444 N SER A 31 15.904 -12.457 -13.408 1.00 53.34 N ATOM 445 CA SER A 31 14.965 -11.343 -13.469 1.00 52.33 C ATOM 446 C SER A 31 13.702 -11.652 -12.670 1.00 43.04 C ATOM 447 O SER A 31 12.637 -11.088 -12.925 1.00 65.25 O ATOM 448 CB SER A 31 14.600 -11.035 -14.923 1.00 13.43 C ATOM 449 OG SER A 31 14.060 -9.730 -15.047 1.00 71.34 O ATOM 0 H SER A 31 15.736 -13.189 -14.099 1.00 53.34 H new ATOM 0 HA SER A 31 15.447 -10.470 -13.030 1.00 52.33 H new ATOM 0 HB2 SER A 31 15.486 -11.127 -15.551 1.00 13.43 H new ATOM 0 HB3 SER A 31 13.877 -11.767 -15.283 1.00 13.43 H new ATOM 0 HG SER A 31 13.332 -9.615 -14.401 1.00 71.34 H new ATOM 455 N THR A 32 13.829 -12.553 -11.701 1.00 53.00 N ATOM 456 CA THR A 32 12.699 -12.939 -10.865 1.00 25.52 C ATOM 457 C THR A 32 12.054 -11.721 -10.215 1.00 53.14 C ATOM 458 O THR A 32 12.651 -10.646 -10.157 1.00 23.22 O ATOM 459 CB THR A 32 13.128 -13.927 -9.763 1.00 62.33 C ATOM 460 OG1 THR A 32 14.540 -13.834 -9.545 1.00 22.45 O ATOM 461 CG2 THR A 32 12.761 -15.354 -10.143 1.00 45.13 C ATOM 0 H THR A 32 14.703 -13.029 -11.476 1.00 53.00 H new ATOM 0 HA THR A 32 11.974 -13.425 -11.518 1.00 25.52 H new ATOM 0 HB THR A 32 12.601 -13.665 -8.845 1.00 62.33 H new ATOM 0 HG1 THR A 32 14.994 -14.554 -10.031 1.00 22.45 H new ATOM 0 HG21 THR A 32 13.074 -16.034 -9.350 1.00 45.13 H new ATOM 0 HG22 THR A 32 11.682 -15.428 -10.280 1.00 45.13 H new ATOM 0 HG23 THR A 32 13.264 -15.624 -11.072 1.00 45.13 H new ATOM 469 N VAL A 33 10.829 -11.895 -9.727 1.00 65.05 N ATOM 470 CA VAL A 33 10.103 -10.809 -9.080 1.00 71.31 C ATOM 471 C VAL A 33 10.883 -10.258 -7.891 1.00 75.44 C ATOM 472 O VAL A 33 10.787 -9.075 -7.568 1.00 23.44 O ATOM 473 CB VAL A 33 8.714 -11.271 -8.600 1.00 23.33 C ATOM 474 CG1 VAL A 33 8.835 -12.518 -7.736 1.00 43.50 C ATOM 475 CG2 VAL A 33 8.014 -10.153 -7.842 1.00 21.40 C ATOM 0 H VAL A 33 10.319 -12.778 -9.768 1.00 65.05 H new ATOM 0 HA VAL A 33 9.979 -10.023 -9.825 1.00 71.31 H new ATOM 0 HB VAL A 33 8.111 -11.520 -9.473 1.00 23.33 H new ATOM 0 HG11 VAL A 33 7.844 -12.830 -7.406 1.00 43.50 H new ATOM 0 HG12 VAL A 33 9.293 -13.319 -8.316 1.00 43.50 H new ATOM 0 HG13 VAL A 33 9.455 -12.299 -6.866 1.00 43.50 H new ATOM 0 HG21 VAL A 33 7.034 -10.496 -7.510 1.00 21.40 H new ATOM 0 HG22 VAL A 33 8.612 -9.871 -6.976 1.00 21.40 H new ATOM 0 HG23 VAL A 33 7.893 -9.290 -8.496 1.00 21.40 H new ATOM 485 N GLY A 34 11.655 -11.126 -7.244 1.00 43.51 N ATOM 486 CA GLY A 34 12.441 -10.707 -6.098 1.00 61.20 C ATOM 487 C GLY A 34 11.842 -11.169 -4.784 1.00 51.15 C ATOM 488 O GLY A 34 12.563 -11.418 -3.818 1.00 24.03 O ATOM 0 H GLY A 34 11.750 -12.111 -7.493 1.00 43.51 H new ATOM 0 HA2 GLY A 34 13.453 -11.102 -6.191 1.00 61.20 H new ATOM 0 HA3 GLY A 34 12.522 -9.620 -6.095 1.00 61.20 H new ATOM 492 N LEU A 35 10.519 -11.282 -4.747 1.00 72.11 N ATOM 493 CA LEU A 35 9.822 -11.716 -3.541 1.00 52.41 C ATOM 494 C LEU A 35 10.392 -13.033 -3.026 1.00 63.12 C ATOM 495 O LEU A 35 10.666 -13.179 -1.835 1.00 34.40 O ATOM 496 CB LEU A 35 8.326 -11.869 -3.820 1.00 53.13 C ATOM 497 CG LEU A 35 7.383 -11.263 -2.780 1.00 21.34 C ATOM 498 CD1 LEU A 35 5.952 -11.711 -3.031 1.00 73.12 C ATOM 499 CD2 LEU A 35 7.824 -11.645 -1.374 1.00 63.32 C ATOM 0 H LEU A 35 9.907 -11.079 -5.538 1.00 72.11 H new ATOM 0 HA LEU A 35 9.967 -10.955 -2.774 1.00 52.41 H new ATOM 0 HB2 LEU A 35 8.109 -11.414 -4.786 1.00 53.13 H new ATOM 0 HB3 LEU A 35 8.101 -12.932 -3.910 1.00 53.13 H new ATOM 0 HG LEU A 35 7.423 -10.177 -2.870 1.00 21.34 H new ATOM 0 HD11 LEU A 35 5.296 -11.270 -2.281 1.00 73.12 H new ATOM 0 HD12 LEU A 35 5.638 -11.387 -4.023 1.00 73.12 H new ATOM 0 HD13 LEU A 35 5.895 -12.798 -2.969 1.00 73.12 H new ATOM 0 HD21 LEU A 35 7.142 -11.205 -0.647 1.00 63.32 H new ATOM 0 HD22 LEU A 35 7.813 -12.730 -1.272 1.00 63.32 H new ATOM 0 HD23 LEU A 35 8.833 -11.274 -1.196 1.00 63.32 H new ATOM 511 N SER A 36 10.571 -13.989 -3.932 1.00 44.15 N ATOM 512 CA SER A 36 11.108 -15.295 -3.570 1.00 23.32 C ATOM 513 C SER A 36 12.554 -15.176 -3.098 1.00 23.51 C ATOM 514 O SER A 36 13.099 -16.099 -2.491 1.00 15.31 O ATOM 515 CB SER A 36 11.025 -16.253 -4.760 1.00 44.42 C ATOM 516 OG SER A 36 11.891 -15.844 -5.805 1.00 1.41 O ATOM 0 H SER A 36 10.352 -13.883 -4.923 1.00 44.15 H new ATOM 0 HA SER A 36 10.508 -15.692 -2.751 1.00 23.32 H new ATOM 0 HB2 SER A 36 11.288 -17.261 -4.439 1.00 44.42 H new ATOM 0 HB3 SER A 36 10.000 -16.293 -5.128 1.00 44.42 H new ATOM 0 HG SER A 36 11.821 -16.473 -6.553 1.00 1.41 H new ATOM 522 N SER A 37 13.171 -14.034 -3.382 1.00 12.40 N ATOM 523 CA SER A 37 14.555 -13.794 -2.991 1.00 31.13 C ATOM 524 C SER A 37 14.705 -12.426 -2.333 1.00 55.52 C ATOM 525 O SER A 37 15.637 -11.679 -2.631 1.00 2.23 O ATOM 526 CB SER A 37 15.475 -13.890 -4.209 1.00 24.51 C ATOM 527 OG SER A 37 15.262 -12.807 -5.097 1.00 13.34 O ATOM 0 H SER A 37 12.734 -13.260 -3.882 1.00 12.40 H new ATOM 0 HA SER A 37 14.840 -14.558 -2.268 1.00 31.13 H new ATOM 0 HB2 SER A 37 16.515 -13.898 -3.883 1.00 24.51 H new ATOM 0 HB3 SER A 37 15.297 -14.831 -4.729 1.00 24.51 H new ATOM 0 HG SER A 37 15.460 -11.964 -4.638 1.00 13.34 H new ATOM 533 N LYS A 38 13.778 -12.103 -1.437 1.00 4.43 N ATOM 534 CA LYS A 38 13.805 -10.825 -0.734 1.00 64.13 C ATOM 535 C LYS A 38 14.426 -10.979 0.651 1.00 40.34 C ATOM 536 O LYS A 38 15.626 -10.770 0.832 1.00 41.33 O ATOM 537 CB LYS A 38 12.389 -10.258 -0.610 1.00 64.02 C ATOM 538 CG LYS A 38 12.076 -9.176 -1.629 1.00 42.10 C ATOM 539 CD LYS A 38 12.766 -7.867 -1.283 1.00 22.24 C ATOM 540 CE LYS A 38 11.834 -6.926 -0.535 1.00 32.53 C ATOM 541 NZ LYS A 38 12.380 -5.543 -0.467 1.00 13.41 N ATOM 0 H LYS A 38 12.998 -12.709 -1.180 1.00 4.43 H new ATOM 0 HA LYS A 38 14.417 -10.133 -1.312 1.00 64.13 H new ATOM 0 HB2 LYS A 38 11.670 -11.070 -0.722 1.00 64.02 H new ATOM 0 HB3 LYS A 38 12.256 -9.851 0.392 1.00 64.02 H new ATOM 0 HG2 LYS A 38 12.393 -9.505 -2.619 1.00 42.10 H new ATOM 0 HG3 LYS A 38 10.998 -9.019 -1.675 1.00 42.10 H new ATOM 0 HD2 LYS A 38 13.647 -8.069 -0.673 1.00 22.24 H new ATOM 0 HD3 LYS A 38 13.114 -7.385 -2.197 1.00 22.24 H new ATOM 0 HE2 LYS A 38 10.862 -6.909 -1.029 1.00 32.53 H new ATOM 0 HE3 LYS A 38 11.672 -7.302 0.475 1.00 32.53 H new ATOM 0 HZ1 LYS A 38 12.207 -5.148 0.479 1.00 13.41 H new ATOM 0 HZ2 LYS A 38 13.403 -5.564 -0.652 1.00 13.41 H new ATOM 0 HZ3 LYS A 38 11.912 -4.949 -1.181 1.00 13.41 H new ATOM 555 N THR A 39 13.601 -11.347 1.626 1.00 4.33 N ATOM 556 CA THR A 39 14.069 -11.529 2.995 1.00 43.35 C ATOM 557 C THR A 39 12.915 -11.872 3.929 1.00 22.42 C ATOM 558 O THR A 39 11.762 -11.513 3.689 1.00 22.42 O ATOM 559 CB THR A 39 14.780 -10.266 3.518 1.00 62.33 C ATOM 560 OG1 THR A 39 16.057 -10.614 4.064 1.00 64.12 O ATOM 561 CG2 THR A 39 13.940 -9.573 4.580 1.00 24.52 C ATOM 0 H THR A 39 12.605 -11.525 1.493 1.00 4.33 H new ATOM 0 HA THR A 39 14.778 -12.356 2.979 1.00 43.35 H new ATOM 0 HB THR A 39 14.918 -9.580 2.682 1.00 62.33 H new ATOM 0 HG1 THR A 39 16.503 -9.806 4.393 1.00 64.12 H new ATOM 0 HG21 THR A 39 14.462 -8.684 4.934 1.00 24.52 H new ATOM 0 HG22 THR A 39 12.980 -9.284 4.153 1.00 24.52 H new ATOM 0 HG23 THR A 39 13.775 -10.254 5.415 1.00 24.52 H new ATOM 569 N PRO A 40 13.229 -12.584 5.022 1.00 64.12 N ATOM 570 CA PRO A 40 12.231 -12.991 6.016 1.00 44.33 C ATOM 571 C PRO A 40 11.698 -11.809 6.819 1.00 63.22 C ATOM 572 O PRO A 40 11.980 -11.678 8.010 1.00 64.30 O ATOM 573 CB PRO A 40 13.006 -13.949 6.924 1.00 33.02 C ATOM 574 CG PRO A 40 14.430 -13.535 6.785 1.00 30.12 C ATOM 575 CD PRO A 40 14.583 -13.046 5.371 1.00 21.24 C ATOM 0 HA PRO A 40 11.352 -13.439 5.552 1.00 44.33 H new ATOM 0 HB2 PRO A 40 12.671 -13.872 7.958 1.00 33.02 H new ATOM 0 HB3 PRO A 40 12.864 -14.986 6.619 1.00 33.02 H new ATOM 0 HG2 PRO A 40 14.680 -12.750 7.499 1.00 30.12 H new ATOM 0 HG3 PRO A 40 15.101 -14.371 6.984 1.00 30.12 H new ATOM 0 HD2 PRO A 40 15.313 -12.240 5.301 1.00 21.24 H new ATOM 0 HD3 PRO A 40 14.921 -13.840 4.705 1.00 21.24 H new ATOM 583 N ASP A 41 10.927 -10.952 6.160 1.00 74.13 N ATOM 584 CA ASP A 41 10.352 -9.782 6.813 1.00 3.42 C ATOM 585 C ASP A 41 9.469 -8.998 5.847 1.00 62.31 C ATOM 586 O ASP A 41 8.372 -8.571 6.203 1.00 54.30 O ATOM 587 CB ASP A 41 11.461 -8.879 7.356 1.00 2.12 C ATOM 588 CG ASP A 41 11.070 -8.198 8.653 1.00 41.20 C ATOM 589 OD1 ASP A 41 9.893 -8.314 9.053 1.00 14.00 O ATOM 590 OD2 ASP A 41 11.942 -7.549 9.268 1.00 32.33 O ATOM 0 H ASP A 41 10.685 -11.045 5.173 1.00 74.13 H new ATOM 0 HA ASP A 41 9.735 -10.127 7.642 1.00 3.42 H new ATOM 0 HB2 ASP A 41 12.362 -9.471 7.517 1.00 2.12 H new ATOM 0 HB3 ASP A 41 11.707 -8.122 6.611 1.00 2.12 H new ATOM 595 N GLN A 42 9.957 -8.814 4.624 1.00 11.03 N ATOM 596 CA GLN A 42 9.212 -8.080 3.608 1.00 61.41 C ATOM 597 C GLN A 42 8.150 -8.967 2.966 1.00 52.51 C ATOM 598 O GLN A 42 7.096 -8.485 2.549 1.00 70.35 O ATOM 599 CB GLN A 42 10.163 -7.545 2.536 1.00 72.23 C ATOM 600 CG GLN A 42 11.477 -7.022 3.094 1.00 74.13 C ATOM 601 CD GLN A 42 11.277 -5.998 4.194 1.00 60.41 C ATOM 602 OE1 GLN A 42 11.002 -6.349 5.342 1.00 61.22 O ATOM 603 NE2 GLN A 42 11.415 -4.724 3.849 1.00 52.43 N ATOM 0 H GLN A 42 10.864 -9.163 4.313 1.00 11.03 H new ATOM 0 HA GLN A 42 8.714 -7.241 4.093 1.00 61.41 H new ATOM 0 HB2 GLN A 42 10.373 -8.339 1.819 1.00 72.23 H new ATOM 0 HB3 GLN A 42 9.666 -6.744 1.988 1.00 72.23 H new ATOM 0 HG2 GLN A 42 12.061 -7.857 3.482 1.00 74.13 H new ATOM 0 HG3 GLN A 42 12.058 -6.574 2.287 1.00 74.13 H new ATOM 0 HE21 GLN A 42 11.643 -4.478 2.886 1.00 52.43 H new ATOM 0 HE22 GLN A 42 11.293 -3.990 4.547 1.00 52.43 H new ATOM 612 N ILE A 43 8.434 -10.262 2.890 1.00 63.21 N ATOM 613 CA ILE A 43 7.503 -11.215 2.299 1.00 13.02 C ATOM 614 C ILE A 43 6.127 -11.114 2.950 1.00 63.51 C ATOM 615 O ILE A 43 5.118 -10.928 2.270 1.00 61.44 O ATOM 616 CB ILE A 43 8.016 -12.661 2.432 1.00 45.22 C ATOM 617 CG1 ILE A 43 9.397 -12.796 1.786 1.00 10.20 C ATOM 618 CG2 ILE A 43 7.032 -13.633 1.799 1.00 42.23 C ATOM 619 CD1 ILE A 43 9.993 -14.180 1.917 1.00 12.05 C ATOM 0 H ILE A 43 9.302 -10.676 3.230 1.00 63.21 H new ATOM 0 HA ILE A 43 7.423 -10.963 1.242 1.00 13.02 H new ATOM 0 HB ILE A 43 8.105 -12.903 3.491 1.00 45.22 H new ATOM 0 HG12 ILE A 43 9.321 -12.540 0.729 1.00 10.20 H new ATOM 0 HG13 ILE A 43 10.074 -12.073 2.241 1.00 10.20 H new ATOM 0 HG21 ILE A 43 7.409 -14.651 1.901 1.00 42.23 H new ATOM 0 HG22 ILE A 43 6.067 -13.551 2.299 1.00 42.23 H new ATOM 0 HG23 ILE A 43 6.914 -13.394 0.742 1.00 42.23 H new ATOM 0 HD11 ILE A 43 10.971 -14.202 1.437 1.00 12.05 H new ATOM 0 HD12 ILE A 43 10.101 -14.431 2.972 1.00 12.05 H new ATOM 0 HD13 ILE A 43 9.337 -14.906 1.437 1.00 12.05 H new ATOM 631 N LYS A 44 6.094 -11.237 4.273 1.00 62.15 N ATOM 632 CA LYS A 44 4.844 -11.157 5.018 1.00 74.22 C ATOM 633 C LYS A 44 4.094 -9.871 4.686 1.00 12.11 C ATOM 634 O LYS A 44 2.880 -9.883 4.481 1.00 12.34 O ATOM 635 CB LYS A 44 5.117 -11.227 6.522 1.00 71.30 C ATOM 636 CG LYS A 44 6.275 -10.353 6.971 1.00 21.20 C ATOM 637 CD LYS A 44 6.418 -10.351 8.484 1.00 52.52 C ATOM 638 CE LYS A 44 5.690 -9.171 9.110 1.00 3.32 C ATOM 639 NZ LYS A 44 4.295 -9.520 9.495 1.00 72.33 N ATOM 0 H LYS A 44 6.920 -11.393 4.851 1.00 62.15 H new ATOM 0 HA LYS A 44 4.223 -12.004 4.728 1.00 74.22 H new ATOM 0 HB2 LYS A 44 4.217 -10.929 7.060 1.00 71.30 H new ATOM 0 HB3 LYS A 44 5.325 -12.261 6.797 1.00 71.30 H new ATOM 0 HG2 LYS A 44 7.199 -10.711 6.518 1.00 21.20 H new ATOM 0 HG3 LYS A 44 6.121 -9.333 6.618 1.00 21.20 H new ATOM 0 HD2 LYS A 44 6.021 -11.282 8.889 1.00 52.52 H new ATOM 0 HD3 LYS A 44 7.474 -10.312 8.751 1.00 52.52 H new ATOM 0 HE2 LYS A 44 6.236 -8.833 9.991 1.00 3.32 H new ATOM 0 HE3 LYS A 44 5.675 -8.339 8.406 1.00 3.32 H new ATOM 0 HZ1 LYS A 44 3.634 -8.852 9.049 1.00 72.33 H new ATOM 0 HZ2 LYS A 44 4.078 -10.486 9.176 1.00 72.33 H new ATOM 0 HZ3 LYS A 44 4.197 -9.467 10.529 1.00 72.33 H new ATOM 653 N LYS A 45 4.825 -8.762 4.633 1.00 35.41 N ATOM 654 CA LYS A 45 4.230 -7.468 4.323 1.00 10.43 C ATOM 655 C LYS A 45 3.600 -7.476 2.934 1.00 23.40 C ATOM 656 O LYS A 45 2.727 -6.663 2.632 1.00 33.23 O ATOM 657 CB LYS A 45 5.287 -6.364 4.409 1.00 61.42 C ATOM 658 CG LYS A 45 5.304 -5.641 5.744 1.00 3.40 C ATOM 659 CD LYS A 45 5.996 -4.292 5.638 1.00 11.32 C ATOM 660 CE LYS A 45 7.480 -4.448 5.345 1.00 41.20 C ATOM 661 NZ LYS A 45 8.097 -3.165 4.907 1.00 72.22 N ATOM 0 H LYS A 45 5.831 -8.734 4.801 1.00 35.41 H new ATOM 0 HA LYS A 45 3.447 -7.272 5.056 1.00 10.43 H new ATOM 0 HB2 LYS A 45 6.270 -6.799 4.228 1.00 61.42 H new ATOM 0 HB3 LYS A 45 5.108 -5.639 3.615 1.00 61.42 H new ATOM 0 HG2 LYS A 45 4.282 -5.500 6.096 1.00 3.40 H new ATOM 0 HG3 LYS A 45 5.814 -6.256 6.485 1.00 3.40 H new ATOM 0 HD2 LYS A 45 5.528 -3.703 4.849 1.00 11.32 H new ATOM 0 HD3 LYS A 45 5.864 -3.740 6.569 1.00 11.32 H new ATOM 0 HE2 LYS A 45 7.990 -4.810 6.237 1.00 41.20 H new ATOM 0 HE3 LYS A 45 7.620 -5.201 4.570 1.00 41.20 H new ATOM 0 HZ1 LYS A 45 9.109 -3.313 4.717 1.00 72.22 H new ATOM 0 HZ2 LYS A 45 7.627 -2.832 4.041 1.00 72.22 H new ATOM 0 HZ3 LYS A 45 7.986 -2.453 5.657 1.00 72.22 H new ATOM 675 N VAL A 46 4.049 -8.402 2.092 1.00 74.11 N ATOM 676 CA VAL A 46 3.527 -8.518 0.735 1.00 20.33 C ATOM 677 C VAL A 46 2.297 -9.418 0.695 1.00 60.14 C ATOM 678 O VAL A 46 1.489 -9.342 -0.231 1.00 51.31 O ATOM 679 CB VAL A 46 4.590 -9.077 -0.229 1.00 23.01 C ATOM 680 CG1 VAL A 46 4.017 -9.222 -1.630 1.00 42.34 C ATOM 681 CG2 VAL A 46 5.823 -8.185 -0.237 1.00 55.03 C ATOM 0 H VAL A 46 4.772 -9.082 2.325 1.00 74.11 H new ATOM 0 HA VAL A 46 3.250 -7.514 0.415 1.00 20.33 H new ATOM 0 HB VAL A 46 4.888 -10.066 0.119 1.00 23.01 H new ATOM 0 HG11 VAL A 46 4.783 -9.618 -2.297 1.00 42.34 H new ATOM 0 HG12 VAL A 46 3.167 -9.904 -1.607 1.00 42.34 H new ATOM 0 HG13 VAL A 46 3.690 -8.247 -1.992 1.00 42.34 H new ATOM 0 HG21 VAL A 46 6.564 -8.595 -0.923 1.00 55.03 H new ATOM 0 HG22 VAL A 46 5.544 -7.182 -0.560 1.00 55.03 H new ATOM 0 HG23 VAL A 46 6.245 -8.139 0.767 1.00 55.03 H new ATOM 691 N PHE A 47 2.161 -10.271 1.705 1.00 53.51 N ATOM 692 CA PHE A 47 1.029 -11.186 1.785 1.00 33.30 C ATOM 693 C PHE A 47 -0.209 -10.475 2.324 1.00 72.23 C ATOM 694 O PHE A 47 -1.339 -10.878 2.050 1.00 62.52 O ATOM 695 CB PHE A 47 1.374 -12.380 2.678 1.00 74.35 C ATOM 696 CG PHE A 47 0.228 -12.839 3.534 1.00 4.35 C ATOM 697 CD1 PHE A 47 -0.783 -13.621 3.001 1.00 14.12 C ATOM 698 CD2 PHE A 47 0.164 -12.488 4.873 1.00 30.03 C ATOM 699 CE1 PHE A 47 -1.839 -14.043 3.787 1.00 24.35 C ATOM 700 CE2 PHE A 47 -0.889 -12.908 5.665 1.00 43.13 C ATOM 701 CZ PHE A 47 -1.891 -13.687 5.121 1.00 23.41 C ATOM 0 H PHE A 47 2.821 -10.347 2.479 1.00 53.51 H new ATOM 0 HA PHE A 47 0.811 -11.544 0.779 1.00 33.30 H new ATOM 0 HB2 PHE A 47 1.704 -13.209 2.052 1.00 74.35 H new ATOM 0 HB3 PHE A 47 2.213 -12.113 3.321 1.00 74.35 H new ATOM 0 HD1 PHE A 47 -0.746 -13.904 1.959 1.00 14.12 H new ATOM 0 HD2 PHE A 47 0.946 -11.879 5.303 1.00 30.03 H new ATOM 0 HE1 PHE A 47 -2.623 -14.650 3.359 1.00 24.35 H new ATOM 0 HE2 PHE A 47 -0.928 -12.627 6.707 1.00 43.13 H new ATOM 0 HZ PHE A 47 -2.714 -14.017 5.737 1.00 23.41 H new ATOM 711 N GLY A 48 0.013 -9.414 3.093 1.00 40.52 N ATOM 712 CA GLY A 48 -1.093 -8.663 3.659 1.00 64.02 C ATOM 713 C GLY A 48 -1.955 -8.012 2.596 1.00 15.33 C ATOM 714 O GLY A 48 -3.112 -7.674 2.848 1.00 14.44 O ATOM 0 H GLY A 48 0.939 -9.061 3.334 1.00 40.52 H new ATOM 0 HA2 GLY A 48 -1.708 -9.329 4.264 1.00 64.02 H new ATOM 0 HA3 GLY A 48 -0.703 -7.895 4.327 1.00 64.02 H new ATOM 718 N ILE A 49 -1.392 -7.834 1.406 1.00 11.32 N ATOM 719 CA ILE A 49 -2.118 -7.218 0.302 1.00 0.14 C ATOM 720 C ILE A 49 -3.093 -8.204 -0.333 1.00 4.22 C ATOM 721 O ILE A 49 -4.174 -7.822 -0.782 1.00 71.53 O ATOM 722 CB ILE A 49 -1.157 -6.694 -0.781 1.00 3.33 C ATOM 723 CG1 ILE A 49 -0.007 -5.914 -0.139 1.00 51.01 C ATOM 724 CG2 ILE A 49 -1.906 -5.820 -1.776 1.00 21.30 C ATOM 725 CD1 ILE A 49 1.054 -5.480 -1.126 1.00 54.13 C ATOM 0 H ILE A 49 -0.435 -8.108 1.181 1.00 11.32 H new ATOM 0 HA ILE A 49 -2.674 -6.379 0.719 1.00 0.14 H new ATOM 0 HB ILE A 49 -0.739 -7.546 -1.318 1.00 3.33 H new ATOM 0 HG12 ILE A 49 -0.410 -5.033 0.359 1.00 51.01 H new ATOM 0 HG13 ILE A 49 0.455 -6.532 0.631 1.00 51.01 H new ATOM 0 HG21 ILE A 49 -1.213 -5.457 -2.535 1.00 21.30 H new ATOM 0 HG22 ILE A 49 -2.693 -6.404 -2.253 1.00 21.30 H new ATOM 0 HG23 ILE A 49 -2.349 -4.972 -1.254 1.00 21.30 H new ATOM 0 HD11 ILE A 49 1.837 -4.933 -0.601 1.00 54.13 H new ATOM 0 HD12 ILE A 49 1.485 -6.358 -1.607 1.00 54.13 H new ATOM 0 HD13 ILE A 49 0.606 -4.836 -1.882 1.00 54.13 H new ATOM 737 N LEU A 50 -2.704 -9.474 -0.365 1.00 43.41 N ATOM 738 CA LEU A 50 -3.544 -10.517 -0.944 1.00 2.44 C ATOM 739 C LEU A 50 -4.895 -10.582 -0.238 1.00 5.41 C ATOM 740 O LEU A 50 -5.943 -10.452 -0.870 1.00 31.31 O ATOM 741 CB LEU A 50 -2.842 -11.873 -0.853 1.00 13.14 C ATOM 742 CG LEU A 50 -1.321 -11.853 -1.006 1.00 30.42 C ATOM 743 CD1 LEU A 50 -0.768 -13.270 -1.026 1.00 33.01 C ATOM 744 CD2 LEU A 50 -0.922 -11.105 -2.269 1.00 61.24 C ATOM 0 H LEU A 50 -1.813 -9.806 0.003 1.00 43.41 H new ATOM 0 HA LEU A 50 -3.714 -10.273 -1.993 1.00 2.44 H new ATOM 0 HB2 LEU A 50 -3.084 -12.321 0.111 1.00 13.14 H new ATOM 0 HB3 LEU A 50 -3.256 -12.526 -1.621 1.00 13.14 H new ATOM 0 HG LEU A 50 -0.896 -11.331 -0.149 1.00 30.42 H new ATOM 0 HD11 LEU A 50 0.316 -13.236 -1.136 1.00 33.01 H new ATOM 0 HD12 LEU A 50 -1.023 -13.773 -0.093 1.00 33.01 H new ATOM 0 HD13 LEU A 50 -1.200 -13.817 -1.864 1.00 33.01 H new ATOM 0 HD21 LEU A 50 0.164 -11.101 -2.362 1.00 61.24 H new ATOM 0 HD22 LEU A 50 -1.358 -11.599 -3.137 1.00 61.24 H new ATOM 0 HD23 LEU A 50 -1.285 -10.079 -2.214 1.00 61.24 H new ATOM 756 N ASP A 51 -4.861 -10.781 1.075 1.00 11.51 N ATOM 757 CA ASP A 51 -6.083 -10.859 1.868 1.00 64.12 C ATOM 758 C ASP A 51 -7.004 -9.681 1.565 1.00 25.23 C ATOM 759 O ASP A 51 -6.599 -8.716 0.918 1.00 60.02 O ATOM 760 CB ASP A 51 -5.747 -10.890 3.360 1.00 43.04 C ATOM 761 CG ASP A 51 -5.108 -9.600 3.836 1.00 35.12 C ATOM 762 OD1 ASP A 51 -5.763 -8.542 3.734 1.00 40.31 O ATOM 763 OD2 ASP A 51 -3.954 -9.649 4.311 1.00 50.24 O ATOM 0 H ASP A 51 -4.001 -10.891 1.613 1.00 11.51 H new ATOM 0 HA ASP A 51 -6.602 -11.780 1.601 1.00 64.12 H new ATOM 0 HB2 ASP A 51 -6.657 -11.073 3.931 1.00 43.04 H new ATOM 0 HB3 ASP A 51 -5.072 -11.722 3.560 1.00 43.04 H new ATOM 768 N GLN A 52 -8.243 -9.769 2.038 1.00 42.14 N ATOM 769 CA GLN A 52 -9.221 -8.711 1.816 1.00 50.33 C ATOM 770 C GLN A 52 -9.986 -8.399 3.098 1.00 41.33 C ATOM 771 O GLN A 52 -9.965 -7.268 3.585 1.00 75.22 O ATOM 772 CB GLN A 52 -10.198 -9.114 0.710 1.00 32.32 C ATOM 773 CG GLN A 52 -10.407 -10.616 0.601 1.00 64.12 C ATOM 774 CD GLN A 52 -11.819 -10.981 0.187 1.00 44.23 C ATOM 775 OE1 GLN A 52 -12.517 -11.709 0.893 1.00 3.42 O ATOM 776 NE2 GLN A 52 -12.247 -10.476 -0.964 1.00 15.50 N ATOM 0 H GLN A 52 -8.593 -10.561 2.577 1.00 42.14 H new ATOM 0 HA GLN A 52 -8.684 -7.814 1.507 1.00 50.33 H new ATOM 0 HB2 GLN A 52 -11.159 -8.634 0.893 1.00 32.32 H new ATOM 0 HB3 GLN A 52 -9.830 -8.736 -0.244 1.00 32.32 H new ATOM 0 HG2 GLN A 52 -9.703 -11.025 -0.124 1.00 64.12 H new ATOM 0 HG3 GLN A 52 -10.182 -11.081 1.561 1.00 64.12 H new ATOM 0 HE21 GLN A 52 -11.634 -9.877 -1.517 1.00 15.50 H new ATOM 0 HE22 GLN A 52 -13.188 -10.687 -1.295 1.00 15.50 H new ATOM 785 N ASP A 53 -10.660 -9.408 3.639 1.00 43.51 N ATOM 786 CA ASP A 53 -11.431 -9.241 4.865 1.00 31.23 C ATOM 787 C ASP A 53 -10.535 -9.372 6.093 1.00 41.11 C ATOM 788 O ASP A 53 -10.848 -8.848 7.162 1.00 2.03 O ATOM 789 CB ASP A 53 -12.558 -10.274 4.929 1.00 44.24 C ATOM 790 CG ASP A 53 -13.753 -9.778 5.718 1.00 74.42 C ATOM 791 OD1 ASP A 53 -13.756 -9.942 6.956 1.00 14.42 O ATOM 792 OD2 ASP A 53 -14.686 -9.227 5.097 1.00 0.34 O ATOM 0 H ASP A 53 -10.688 -10.350 3.248 1.00 43.51 H new ATOM 0 HA ASP A 53 -11.865 -8.241 4.858 1.00 31.23 H new ATOM 0 HB2 ASP A 53 -12.874 -10.526 3.917 1.00 44.24 H new ATOM 0 HB3 ASP A 53 -12.182 -11.191 5.383 1.00 44.24 H new ATOM 797 N LYS A 54 -9.419 -10.075 5.932 1.00 31.33 N ATOM 798 CA LYS A 54 -8.476 -10.276 7.026 1.00 14.34 C ATOM 799 C LYS A 54 -9.152 -10.966 8.207 1.00 63.20 C ATOM 800 O LYS A 54 -9.210 -10.419 9.308 1.00 4.11 O ATOM 801 CB LYS A 54 -7.890 -8.935 7.474 1.00 43.15 C ATOM 802 CG LYS A 54 -7.026 -8.267 6.418 1.00 41.41 C ATOM 803 CD LYS A 54 -5.546 -8.469 6.698 1.00 33.11 C ATOM 804 CE LYS A 54 -5.106 -7.713 7.942 1.00 1.40 C ATOM 805 NZ LYS A 54 -4.504 -6.393 7.605 1.00 62.14 N ATOM 0 H LYS A 54 -9.145 -10.515 5.054 1.00 31.33 H new ATOM 0 HA LYS A 54 -7.671 -10.916 6.665 1.00 14.34 H new ATOM 0 HB2 LYS A 54 -8.705 -8.263 7.743 1.00 43.15 H new ATOM 0 HB3 LYS A 54 -7.295 -9.090 8.374 1.00 43.15 H new ATOM 0 HG2 LYS A 54 -7.270 -8.673 5.437 1.00 41.41 H new ATOM 0 HG3 LYS A 54 -7.249 -7.200 6.386 1.00 41.41 H new ATOM 0 HD2 LYS A 54 -5.340 -9.532 6.825 1.00 33.11 H new ATOM 0 HD3 LYS A 54 -4.963 -8.132 5.841 1.00 33.11 H new ATOM 0 HE2 LYS A 54 -5.963 -7.564 8.599 1.00 1.40 H new ATOM 0 HE3 LYS A 54 -4.382 -8.312 8.494 1.00 1.40 H new ATOM 0 HZ1 LYS A 54 -4.217 -5.909 8.480 1.00 62.14 H new ATOM 0 HZ2 LYS A 54 -3.671 -6.536 6.999 1.00 62.14 H new ATOM 0 HZ3 LYS A 54 -5.203 -5.811 7.101 1.00 62.14 H new ATOM 819 N SER A 55 -9.660 -12.171 7.970 1.00 20.33 N ATOM 820 CA SER A 55 -10.333 -12.935 9.014 1.00 73.41 C ATOM 821 C SER A 55 -9.352 -13.857 9.731 1.00 21.41 C ATOM 822 O SER A 55 -9.753 -14.804 10.408 1.00 43.44 O ATOM 823 CB SER A 55 -11.478 -13.756 8.417 1.00 51.05 C ATOM 824 OG SER A 55 -12.070 -13.082 7.319 1.00 22.42 O ATOM 0 H SER A 55 -9.618 -12.639 7.065 1.00 20.33 H new ATOM 0 HA SER A 55 -10.740 -12.231 9.740 1.00 73.41 H new ATOM 0 HB2 SER A 55 -11.103 -14.727 8.093 1.00 51.05 H new ATOM 0 HB3 SER A 55 -12.232 -13.945 9.181 1.00 51.05 H new ATOM 0 HG SER A 55 -12.798 -13.628 6.954 1.00 22.42 H new ATOM 830 N GLY A 56 -8.062 -13.573 9.577 1.00 31.32 N ATOM 831 CA GLY A 56 -7.042 -14.385 10.215 1.00 34.42 C ATOM 832 C GLY A 56 -6.215 -15.168 9.215 1.00 5.30 C ATOM 833 O GLY A 56 -5.014 -15.360 9.407 1.00 3.14 O ATOM 0 H GLY A 56 -7.705 -12.795 9.022 1.00 31.32 H new ATOM 0 HA2 GLY A 56 -6.385 -13.743 10.802 1.00 34.42 H new ATOM 0 HA3 GLY A 56 -7.516 -15.077 10.911 1.00 34.42 H new ATOM 837 N PHE A 57 -6.857 -15.622 8.144 1.00 31.12 N ATOM 838 CA PHE A 57 -6.173 -16.391 7.111 1.00 42.30 C ATOM 839 C PHE A 57 -6.866 -16.226 5.762 1.00 75.42 C ATOM 840 O PHE A 57 -7.944 -15.637 5.674 1.00 42.43 O ATOM 841 CB PHE A 57 -6.124 -17.871 7.495 1.00 3.10 C ATOM 842 CG PHE A 57 -5.307 -18.144 8.725 1.00 23.34 C ATOM 843 CD1 PHE A 57 -3.947 -18.393 8.629 1.00 10.41 C ATOM 844 CD2 PHE A 57 -5.899 -18.153 9.978 1.00 24.32 C ATOM 845 CE1 PHE A 57 -3.192 -18.644 9.759 1.00 31.14 C ATOM 846 CE2 PHE A 57 -5.149 -18.404 11.112 1.00 42.22 C ATOM 847 CZ PHE A 57 -3.794 -18.651 11.002 1.00 12.33 C ATOM 0 H PHE A 57 -7.850 -15.471 7.969 1.00 31.12 H new ATOM 0 HA PHE A 57 -5.155 -16.012 7.025 1.00 42.30 H new ATOM 0 HB2 PHE A 57 -7.140 -18.230 7.657 1.00 3.10 H new ATOM 0 HB3 PHE A 57 -5.713 -18.441 6.662 1.00 3.10 H new ATOM 0 HD1 PHE A 57 -3.471 -18.391 7.659 1.00 10.41 H new ATOM 0 HD2 PHE A 57 -6.958 -17.962 10.070 1.00 24.32 H new ATOM 0 HE1 PHE A 57 -2.133 -18.834 9.670 1.00 31.14 H new ATOM 0 HE2 PHE A 57 -5.622 -18.407 12.083 1.00 42.22 H new ATOM 0 HZ PHE A 57 -3.207 -18.849 11.886 1.00 12.33 H new ATOM 857 N ILE A 58 -6.241 -16.752 4.714 1.00 43.51 N ATOM 858 CA ILE A 58 -6.797 -16.664 3.370 1.00 54.14 C ATOM 859 C ILE A 58 -7.166 -18.044 2.836 1.00 21.01 C ATOM 860 O ILE A 58 -6.294 -18.831 2.470 1.00 21.42 O ATOM 861 CB ILE A 58 -5.811 -15.995 2.394 1.00 24.42 C ATOM 862 CG1 ILE A 58 -5.768 -14.485 2.633 1.00 53.33 C ATOM 863 CG2 ILE A 58 -6.200 -16.299 0.955 1.00 35.33 C ATOM 864 CD1 ILE A 58 -4.692 -13.778 1.839 1.00 52.51 C ATOM 0 H ILE A 58 -5.349 -17.244 4.770 1.00 43.51 H new ATOM 0 HA ILE A 58 -7.696 -16.052 3.441 1.00 54.14 H new ATOM 0 HB ILE A 58 -4.815 -16.400 2.573 1.00 24.42 H new ATOM 0 HG12 ILE A 58 -6.737 -14.057 2.377 1.00 53.33 H new ATOM 0 HG13 ILE A 58 -5.607 -14.298 3.695 1.00 53.33 H new ATOM 0 HG21 ILE A 58 -5.493 -15.819 0.278 1.00 35.33 H new ATOM 0 HG22 ILE A 58 -6.183 -17.377 0.793 1.00 35.33 H new ATOM 0 HG23 ILE A 58 -7.203 -15.919 0.761 1.00 35.33 H new ATOM 0 HD11 ILE A 58 -4.720 -12.711 2.058 1.00 52.51 H new ATOM 0 HD12 ILE A 58 -3.716 -14.179 2.112 1.00 52.51 H new ATOM 0 HD13 ILE A 58 -4.864 -13.934 0.774 1.00 52.51 H new ATOM 876 N GLU A 59 -8.464 -18.329 2.793 1.00 3.05 N ATOM 877 CA GLU A 59 -8.947 -19.614 2.303 1.00 31.42 C ATOM 878 C GLU A 59 -8.920 -19.660 0.778 1.00 22.22 C ATOM 879 O GLU A 59 -8.641 -18.657 0.122 1.00 22.23 O ATOM 880 CB GLU A 59 -10.368 -19.876 2.807 1.00 52.41 C ATOM 881 CG GLU A 59 -10.562 -19.550 4.278 1.00 10.42 C ATOM 882 CD GLU A 59 -11.290 -18.237 4.494 1.00 43.11 C ATOM 883 OE1 GLU A 59 -12.312 -18.006 3.815 1.00 0.01 O ATOM 884 OE2 GLU A 59 -10.836 -17.440 5.342 1.00 34.55 O ATOM 0 H GLU A 59 -9.199 -17.688 3.091 1.00 3.05 H new ATOM 0 HA GLU A 59 -8.285 -20.391 2.684 1.00 31.42 H new ATOM 0 HB2 GLU A 59 -11.068 -19.285 2.217 1.00 52.41 H new ATOM 0 HB3 GLU A 59 -10.616 -20.924 2.640 1.00 52.41 H new ATOM 0 HG2 GLU A 59 -11.123 -20.355 4.754 1.00 10.42 H new ATOM 0 HG3 GLU A 59 -9.589 -19.507 4.768 1.00 10.42 H new ATOM 891 N GLU A 60 -9.211 -20.832 0.222 1.00 50.12 N ATOM 892 CA GLU A 60 -9.218 -21.009 -1.226 1.00 13.24 C ATOM 893 C GLU A 60 -10.113 -19.970 -1.896 1.00 42.01 C ATOM 894 O GLU A 60 -9.927 -19.640 -3.067 1.00 11.22 O ATOM 895 CB GLU A 60 -9.694 -22.417 -1.587 1.00 74.32 C ATOM 896 CG GLU A 60 -9.290 -22.856 -2.984 1.00 61.54 C ATOM 897 CD GLU A 60 -10.409 -22.693 -3.994 1.00 73.41 C ATOM 898 OE1 GLU A 60 -11.548 -23.105 -3.688 1.00 70.21 O ATOM 899 OE2 GLU A 60 -10.147 -22.155 -5.090 1.00 12.33 O ATOM 0 H GLU A 60 -9.445 -21.672 0.751 1.00 50.12 H new ATOM 0 HA GLU A 60 -8.199 -20.874 -1.588 1.00 13.24 H new ATOM 0 HB2 GLU A 60 -9.291 -23.125 -0.862 1.00 74.32 H new ATOM 0 HB3 GLU A 60 -10.780 -22.457 -1.502 1.00 74.32 H new ATOM 0 HG2 GLU A 60 -8.426 -22.275 -3.308 1.00 61.54 H new ATOM 0 HG3 GLU A 60 -8.980 -23.901 -2.957 1.00 61.54 H new ATOM 906 N GLU A 61 -11.083 -19.460 -1.145 1.00 14.25 N ATOM 907 CA GLU A 61 -12.007 -18.460 -1.667 1.00 14.23 C ATOM 908 C GLU A 61 -11.272 -17.168 -2.014 1.00 33.42 C ATOM 909 O GLU A 61 -11.471 -16.599 -3.086 1.00 42.23 O ATOM 910 CB GLU A 61 -13.112 -18.173 -0.648 1.00 12.32 C ATOM 911 CG GLU A 61 -14.031 -19.356 -0.396 1.00 61.51 C ATOM 912 CD GLU A 61 -15.132 -19.040 0.597 1.00 52.41 C ATOM 913 OE1 GLU A 61 -15.099 -17.939 1.187 1.00 33.41 O ATOM 914 OE2 GLU A 61 -16.026 -19.891 0.784 1.00 11.00 O ATOM 0 H GLU A 61 -11.250 -19.722 -0.174 1.00 14.25 H new ATOM 0 HA GLU A 61 -12.456 -18.858 -2.577 1.00 14.23 H new ATOM 0 HB2 GLU A 61 -12.656 -17.871 0.295 1.00 12.32 H new ATOM 0 HB3 GLU A 61 -13.707 -17.330 -0.998 1.00 12.32 H new ATOM 0 HG2 GLU A 61 -14.477 -19.671 -1.339 1.00 61.51 H new ATOM 0 HG3 GLU A 61 -13.443 -20.195 -0.025 1.00 61.51 H new ATOM 921 N GLU A 62 -10.423 -16.713 -1.098 1.00 14.03 N ATOM 922 CA GLU A 62 -9.660 -15.488 -1.306 1.00 60.35 C ATOM 923 C GLU A 62 -8.318 -15.790 -1.968 1.00 53.31 C ATOM 924 O GLU A 62 -7.563 -14.879 -2.309 1.00 42.43 O ATOM 925 CB GLU A 62 -9.434 -14.768 0.025 1.00 73.52 C ATOM 926 CG GLU A 62 -10.541 -13.790 0.383 1.00 25.51 C ATOM 927 CD GLU A 62 -11.818 -14.486 0.813 1.00 65.11 C ATOM 928 OE1 GLU A 62 -11.842 -15.042 1.931 1.00 30.01 O ATOM 929 OE2 GLU A 62 -12.792 -14.475 0.032 1.00 43.11 O ATOM 0 H GLU A 62 -10.246 -17.174 -0.205 1.00 14.03 H new ATOM 0 HA GLU A 62 -10.235 -14.840 -1.967 1.00 60.35 H new ATOM 0 HB2 GLU A 62 -9.345 -15.509 0.819 1.00 73.52 H new ATOM 0 HB3 GLU A 62 -8.486 -14.231 -0.018 1.00 73.52 H new ATOM 0 HG2 GLU A 62 -10.199 -13.138 1.187 1.00 25.51 H new ATOM 0 HG3 GLU A 62 -10.750 -13.153 -0.477 1.00 25.51 H new ATOM 936 N LEU A 63 -8.028 -17.074 -2.146 1.00 14.22 N ATOM 937 CA LEU A 63 -6.778 -17.497 -2.766 1.00 63.11 C ATOM 938 C LEU A 63 -6.857 -17.384 -4.285 1.00 55.41 C ATOM 939 O LEU A 63 -5.842 -17.209 -4.958 1.00 2.45 O ATOM 940 CB LEU A 63 -6.449 -18.937 -2.367 1.00 54.13 C ATOM 941 CG LEU A 63 -4.964 -19.298 -2.320 1.00 34.24 C ATOM 942 CD1 LEU A 63 -4.254 -18.497 -1.240 1.00 15.44 C ATOM 943 CD2 LEU A 63 -4.786 -20.791 -2.083 1.00 10.24 C ATOM 0 H LEU A 63 -8.642 -17.840 -1.870 1.00 14.22 H new ATOM 0 HA LEU A 63 -5.985 -16.838 -2.412 1.00 63.11 H new ATOM 0 HB2 LEU A 63 -6.880 -19.128 -1.384 1.00 54.13 H new ATOM 0 HB3 LEU A 63 -6.944 -19.609 -3.068 1.00 54.13 H new ATOM 0 HG LEU A 63 -4.518 -19.047 -3.282 1.00 34.24 H new ATOM 0 HD11 LEU A 63 -3.198 -18.767 -1.221 1.00 15.44 H new ATOM 0 HD12 LEU A 63 -4.352 -17.432 -1.453 1.00 15.44 H new ATOM 0 HD13 LEU A 63 -4.702 -18.716 -0.271 1.00 15.44 H new ATOM 0 HD21 LEU A 63 -3.723 -21.030 -2.052 1.00 10.24 H new ATOM 0 HD22 LEU A 63 -5.247 -21.066 -1.135 1.00 10.24 H new ATOM 0 HD23 LEU A 63 -5.260 -21.347 -2.892 1.00 10.24 H new ATOM 955 N GLN A 64 -8.071 -17.483 -4.818 1.00 11.52 N ATOM 956 CA GLN A 64 -8.283 -17.389 -6.257 1.00 61.44 C ATOM 957 C GLN A 64 -8.008 -15.975 -6.758 1.00 14.04 C ATOM 958 O GLN A 64 -8.056 -15.710 -7.960 1.00 23.14 O ATOM 959 CB GLN A 64 -9.713 -17.800 -6.611 1.00 54.44 C ATOM 960 CG GLN A 64 -10.751 -16.742 -6.271 1.00 73.33 C ATOM 961 CD GLN A 64 -12.154 -17.149 -6.678 1.00 21.53 C ATOM 962 OE1 GLN A 64 -12.346 -17.850 -7.672 1.00 22.21 O ATOM 963 NE2 GLN A 64 -13.144 -16.711 -5.909 1.00 20.52 N ATOM 0 H GLN A 64 -8.922 -17.628 -4.275 1.00 11.52 H new ATOM 0 HA GLN A 64 -7.586 -18.069 -6.746 1.00 61.44 H new ATOM 0 HB2 GLN A 64 -9.766 -18.020 -7.677 1.00 54.44 H new ATOM 0 HB3 GLN A 64 -9.959 -18.721 -6.083 1.00 54.44 H new ATOM 0 HG2 GLN A 64 -10.730 -16.549 -5.198 1.00 73.33 H new ATOM 0 HG3 GLN A 64 -10.489 -15.808 -6.768 1.00 73.33 H new ATOM 0 HE21 GLN A 64 -12.939 -16.132 -5.094 1.00 20.52 H new ATOM 0 HE22 GLN A 64 -14.109 -16.953 -6.133 1.00 20.52 H new ATOM 972 N LEU A 65 -7.722 -15.070 -5.829 1.00 1.43 N ATOM 973 CA LEU A 65 -7.440 -13.681 -6.175 1.00 42.11 C ATOM 974 C LEU A 65 -5.941 -13.400 -6.123 1.00 35.13 C ATOM 975 O LEU A 65 -5.517 -12.246 -6.053 1.00 35.31 O ATOM 976 CB LEU A 65 -8.181 -12.737 -5.226 1.00 24.31 C ATOM 977 CG LEU A 65 -9.584 -13.174 -4.806 1.00 34.03 C ATOM 978 CD1 LEU A 65 -10.070 -12.347 -3.626 1.00 1.24 C ATOM 979 CD2 LEU A 65 -10.552 -13.058 -5.975 1.00 5.42 C ATOM 0 H LEU A 65 -7.679 -15.273 -4.830 1.00 1.43 H new ATOM 0 HA LEU A 65 -7.788 -13.509 -7.193 1.00 42.11 H new ATOM 0 HB2 LEU A 65 -7.577 -12.610 -4.327 1.00 24.31 H new ATOM 0 HB3 LEU A 65 -8.254 -11.759 -5.702 1.00 24.31 H new ATOM 0 HG LEU A 65 -9.541 -14.219 -4.498 1.00 34.03 H new ATOM 0 HD11 LEU A 65 -11.071 -12.672 -3.341 1.00 1.24 H new ATOM 0 HD12 LEU A 65 -9.391 -12.481 -2.784 1.00 1.24 H new ATOM 0 HD13 LEU A 65 -10.097 -11.294 -3.906 1.00 1.24 H new ATOM 0 HD21 LEU A 65 -11.546 -13.373 -5.657 1.00 5.42 H new ATOM 0 HD22 LEU A 65 -10.591 -12.023 -6.314 1.00 5.42 H new ATOM 0 HD23 LEU A 65 -10.213 -13.695 -6.792 1.00 5.42 H new ATOM 991 N PHE A 66 -5.144 -14.463 -6.159 1.00 10.51 N ATOM 992 CA PHE A 66 -3.692 -14.331 -6.117 1.00 14.42 C ATOM 993 C PHE A 66 -3.171 -13.649 -7.379 1.00 14.23 C ATOM 994 O PHE A 66 -2.120 -13.007 -7.362 1.00 54.34 O ATOM 995 CB PHE A 66 -3.038 -15.705 -5.959 1.00 55.11 C ATOM 996 CG PHE A 66 -1.537 -15.662 -5.992 1.00 15.10 C ATOM 997 CD1 PHE A 66 -0.816 -15.328 -4.858 1.00 3.54 C ATOM 998 CD2 PHE A 66 -0.848 -15.955 -7.158 1.00 33.53 C ATOM 999 CE1 PHE A 66 0.566 -15.287 -4.884 1.00 73.43 C ATOM 1000 CE2 PHE A 66 0.533 -15.917 -7.190 1.00 71.43 C ATOM 1001 CZ PHE A 66 1.241 -15.582 -6.053 1.00 13.24 C ATOM 0 H PHE A 66 -5.479 -15.425 -6.217 1.00 10.51 H new ATOM 0 HA PHE A 66 -3.433 -13.712 -5.258 1.00 14.42 H new ATOM 0 HB2 PHE A 66 -3.360 -16.145 -5.015 1.00 55.11 H new ATOM 0 HB3 PHE A 66 -3.392 -16.361 -6.754 1.00 55.11 H new ATOM 0 HD1 PHE A 66 -1.339 -15.097 -3.942 1.00 3.54 H new ATOM 0 HD2 PHE A 66 -1.396 -16.216 -8.051 1.00 33.53 H new ATOM 0 HE1 PHE A 66 1.117 -15.025 -3.993 1.00 73.43 H new ATOM 0 HE2 PHE A 66 1.059 -16.149 -8.104 1.00 71.43 H new ATOM 0 HZ PHE A 66 2.320 -15.551 -6.077 1.00 13.24 H new ATOM 1011 N LEU A 67 -3.913 -13.794 -8.471 1.00 52.51 N ATOM 1012 CA LEU A 67 -3.527 -13.193 -9.743 1.00 52.41 C ATOM 1013 C LEU A 67 -3.949 -11.728 -9.804 1.00 4.14 C ATOM 1014 O LEU A 67 -3.721 -11.045 -10.803 1.00 25.54 O ATOM 1015 CB LEU A 67 -4.155 -13.964 -10.905 1.00 61.14 C ATOM 1016 CG LEU A 67 -3.352 -15.154 -11.433 1.00 2.41 C ATOM 1017 CD1 LEU A 67 -4.178 -15.958 -12.424 1.00 33.20 C ATOM 1018 CD2 LEU A 67 -2.057 -14.679 -12.076 1.00 61.55 C ATOM 0 H LEU A 67 -4.785 -14.322 -8.501 1.00 52.51 H new ATOM 0 HA LEU A 67 -2.441 -13.243 -9.825 1.00 52.41 H new ATOM 0 HB2 LEU A 67 -5.134 -14.324 -10.589 1.00 61.14 H new ATOM 0 HB3 LEU A 67 -4.321 -13.269 -11.728 1.00 61.14 H new ATOM 0 HG LEU A 67 -3.101 -15.801 -10.592 1.00 2.41 H new ATOM 0 HD11 LEU A 67 -3.590 -16.800 -12.789 1.00 33.20 H new ATOM 0 HD12 LEU A 67 -5.077 -16.329 -11.932 1.00 33.20 H new ATOM 0 HD13 LEU A 67 -4.460 -15.322 -13.263 1.00 33.20 H new ATOM 0 HD21 LEU A 67 -1.498 -15.538 -12.446 1.00 61.55 H new ATOM 0 HD22 LEU A 67 -2.287 -14.011 -12.906 1.00 61.55 H new ATOM 0 HD23 LEU A 67 -1.458 -14.147 -11.337 1.00 61.55 H new ATOM 1030 N LYS A 68 -4.563 -11.250 -8.727 1.00 11.50 N ATOM 1031 CA LYS A 68 -5.014 -9.865 -8.655 1.00 3.34 C ATOM 1032 C LYS A 68 -3.900 -8.956 -8.145 1.00 3.03 C ATOM 1033 O LYS A 68 -3.671 -7.876 -8.687 1.00 3.44 O ATOM 1034 CB LYS A 68 -6.237 -9.752 -7.741 1.00 44.24 C ATOM 1035 CG LYS A 68 -7.333 -10.752 -8.066 1.00 65.10 C ATOM 1036 CD LYS A 68 -7.889 -10.536 -9.463 1.00 51.42 C ATOM 1037 CE LYS A 68 -9.275 -9.911 -9.420 1.00 52.34 C ATOM 1038 NZ LYS A 68 -10.234 -10.742 -8.642 1.00 14.24 N ATOM 0 H LYS A 68 -4.760 -11.801 -7.892 1.00 11.50 H new ATOM 0 HA LYS A 68 -5.288 -9.546 -9.660 1.00 3.34 H new ATOM 0 HB2 LYS A 68 -5.922 -9.894 -6.707 1.00 44.24 H new ATOM 0 HB3 LYS A 68 -6.643 -8.743 -7.815 1.00 44.24 H new ATOM 0 HG2 LYS A 68 -6.939 -11.765 -7.983 1.00 65.10 H new ATOM 0 HG3 LYS A 68 -8.137 -10.662 -7.336 1.00 65.10 H new ATOM 0 HD2 LYS A 68 -7.216 -9.892 -10.028 1.00 51.42 H new ATOM 0 HD3 LYS A 68 -7.935 -11.489 -9.989 1.00 51.42 H new ATOM 0 HE2 LYS A 68 -9.212 -8.918 -8.976 1.00 52.34 H new ATOM 0 HE3 LYS A 68 -9.647 -9.783 -10.436 1.00 52.34 H new ATOM 0 HZ1 LYS A 68 -11.206 -10.511 -8.930 1.00 14.24 H new ATOM 0 HZ2 LYS A 68 -10.049 -11.749 -8.825 1.00 14.24 H new ATOM 0 HZ3 LYS A 68 -10.118 -10.548 -7.627 1.00 14.24 H new ATOM 1052 N ASN A 69 -3.209 -9.402 -7.100 1.00 74.44 N ATOM 1053 CA ASN A 69 -2.118 -8.629 -6.518 1.00 74.23 C ATOM 1054 C ASN A 69 -0.898 -8.637 -7.433 1.00 44.03 C ATOM 1055 O ASN A 69 0.063 -7.900 -7.211 1.00 2.12 O ATOM 1056 CB ASN A 69 -1.744 -9.190 -5.145 1.00 60.20 C ATOM 1057 CG ASN A 69 -2.952 -9.372 -4.246 1.00 4.22 C ATOM 1058 OD1 ASN A 69 -3.241 -8.362 -3.433 1.00 32.40 O flip ATOM 1059 ND2 ASN A 69 -3.616 -10.407 -4.282 1.00 60.21 N flip ATOM 0 H ASN A 69 -3.386 -10.295 -6.639 1.00 74.44 H new ATOM 0 HA ASN A 69 -2.456 -7.599 -6.402 1.00 74.23 H new ATOM 0 HB2 ASN A 69 -1.241 -10.149 -5.272 1.00 60.20 H new ATOM 0 HB3 ASN A 69 -1.033 -8.519 -4.663 1.00 60.20 H new ATOM 0 HD21 ASN A 69 -3.357 -11.157 -4.923 1.00 60.21 H new ATOM 0 HD22 ASN A 69 -4.426 -10.515 -3.671 1.00 60.21 H new ATOM 1066 N PHE A 70 -0.943 -9.475 -8.464 1.00 4.12 N ATOM 1067 CA PHE A 70 0.159 -9.579 -9.413 1.00 25.41 C ATOM 1068 C PHE A 70 -0.249 -9.043 -10.782 1.00 31.31 C ATOM 1069 O PHE A 70 0.420 -8.177 -11.346 1.00 74.52 O ATOM 1070 CB PHE A 70 0.617 -11.034 -9.538 1.00 74.21 C ATOM 1071 CG PHE A 70 1.356 -11.536 -8.331 1.00 31.32 C ATOM 1072 CD1 PHE A 70 0.689 -11.760 -7.137 1.00 52.01 C ATOM 1073 CD2 PHE A 70 2.718 -11.785 -8.390 1.00 14.02 C ATOM 1074 CE1 PHE A 70 1.367 -12.221 -6.025 1.00 30.13 C ATOM 1075 CE2 PHE A 70 3.401 -12.247 -7.281 1.00 0.44 C ATOM 1076 CZ PHE A 70 2.724 -12.466 -6.097 1.00 4.12 C ATOM 0 H PHE A 70 -1.731 -10.092 -8.663 1.00 4.12 H new ATOM 0 HA PHE A 70 0.986 -8.976 -9.038 1.00 25.41 H new ATOM 0 HB2 PHE A 70 -0.254 -11.667 -9.710 1.00 74.21 H new ATOM 0 HB3 PHE A 70 1.259 -11.130 -10.413 1.00 74.21 H new ATOM 0 HD1 PHE A 70 -0.373 -11.572 -7.075 1.00 52.01 H new ATOM 0 HD2 PHE A 70 3.252 -11.616 -9.313 1.00 14.02 H new ATOM 0 HE1 PHE A 70 0.836 -12.390 -5.100 1.00 30.13 H new ATOM 0 HE2 PHE A 70 4.463 -12.437 -7.340 1.00 0.44 H new ATOM 0 HZ PHE A 70 3.255 -12.828 -5.229 1.00 4.12 H new ATOM 1086 N SER A 71 -1.351 -9.565 -11.310 1.00 75.12 N ATOM 1087 CA SER A 71 -1.848 -9.143 -12.615 1.00 23.12 C ATOM 1088 C SER A 71 -3.198 -8.446 -12.483 1.00 12.54 C ATOM 1089 O SER A 71 -3.861 -8.543 -11.450 1.00 51.20 O ATOM 1090 CB SER A 71 -1.972 -10.347 -13.551 1.00 12.04 C ATOM 1091 OG SER A 71 -3.279 -10.894 -13.507 1.00 41.43 O ATOM 0 H SER A 71 -1.917 -10.281 -10.855 1.00 75.12 H new ATOM 0 HA SER A 71 -1.134 -8.436 -13.037 1.00 23.12 H new ATOM 0 HB2 SER A 71 -1.735 -10.045 -14.571 1.00 12.04 H new ATOM 0 HB3 SER A 71 -1.246 -11.109 -13.267 1.00 12.04 H new ATOM 0 HG SER A 71 -3.527 -11.075 -12.576 1.00 41.43 H new ATOM 1097 N SER A 72 -3.599 -7.742 -13.536 1.00 52.35 N ATOM 1098 CA SER A 72 -4.869 -7.024 -13.538 1.00 44.02 C ATOM 1099 C SER A 72 -5.789 -7.550 -14.635 1.00 62.53 C ATOM 1100 O SER A 72 -6.868 -7.006 -14.870 1.00 64.21 O ATOM 1101 CB SER A 72 -4.631 -5.525 -13.732 1.00 21.11 C ATOM 1102 OG SER A 72 -5.817 -4.786 -13.498 1.00 72.20 O ATOM 0 H SER A 72 -3.063 -7.653 -14.399 1.00 52.35 H new ATOM 0 HA SER A 72 -5.352 -7.187 -12.574 1.00 44.02 H new ATOM 0 HB2 SER A 72 -3.848 -5.187 -13.053 1.00 21.11 H new ATOM 0 HB3 SER A 72 -4.276 -5.338 -14.746 1.00 21.11 H new ATOM 0 HG SER A 72 -6.584 -5.275 -13.861 1.00 72.20 H new ATOM 1108 N SER A 73 -5.354 -8.614 -15.304 1.00 42.52 N ATOM 1109 CA SER A 73 -6.136 -9.213 -16.380 1.00 4.45 C ATOM 1110 C SER A 73 -6.769 -10.524 -15.925 1.00 63.32 C ATOM 1111 O SER A 73 -7.910 -10.828 -16.271 1.00 40.20 O ATOM 1112 CB SER A 73 -5.253 -9.457 -17.605 1.00 52.33 C ATOM 1113 OG SER A 73 -6.035 -9.576 -18.781 1.00 32.20 O ATOM 0 H SER A 73 -4.465 -9.079 -15.120 1.00 42.52 H new ATOM 0 HA SER A 73 -6.933 -8.519 -16.648 1.00 4.45 H new ATOM 0 HB2 SER A 73 -4.545 -8.636 -17.717 1.00 52.33 H new ATOM 0 HB3 SER A 73 -4.667 -10.365 -17.460 1.00 52.33 H new ATOM 0 HG SER A 73 -5.448 -9.730 -19.550 1.00 32.20 H new ATOM 1119 N ALA A 74 -6.018 -11.298 -15.148 1.00 32.11 N ATOM 1120 CA ALA A 74 -6.505 -12.576 -14.644 1.00 33.11 C ATOM 1121 C ALA A 74 -7.576 -12.374 -13.577 1.00 4.52 C ATOM 1122 O ALA A 74 -7.270 -12.022 -12.437 1.00 34.40 O ATOM 1123 CB ALA A 74 -5.352 -13.398 -14.088 1.00 71.41 C ATOM 0 H ALA A 74 -5.070 -11.062 -14.854 1.00 32.11 H new ATOM 0 HA ALA A 74 -6.956 -13.118 -15.475 1.00 33.11 H new ATOM 0 HB1 ALA A 74 -5.730 -14.350 -13.715 1.00 71.41 H new ATOM 0 HB2 ALA A 74 -4.622 -13.581 -14.877 1.00 71.41 H new ATOM 0 HB3 ALA A 74 -4.876 -12.852 -13.273 1.00 71.41 H new ATOM 1129 N ARG A 75 -8.830 -12.596 -13.954 1.00 33.30 N ATOM 1130 CA ARG A 75 -9.946 -12.436 -13.029 1.00 60.12 C ATOM 1131 C ARG A 75 -9.686 -13.190 -11.728 1.00 75.34 C ATOM 1132 O ARG A 75 -9.801 -12.628 -10.639 1.00 71.31 O ATOM 1133 CB ARG A 75 -11.243 -12.934 -13.670 1.00 22.10 C ATOM 1134 CG ARG A 75 -11.121 -14.313 -14.299 1.00 13.44 C ATOM 1135 CD ARG A 75 -12.331 -14.641 -15.160 1.00 3.30 C ATOM 1136 NE ARG A 75 -13.578 -14.563 -14.404 1.00 71.23 N ATOM 1137 CZ ARG A 75 -14.749 -14.977 -14.875 1.00 54.10 C ATOM 1138 NH1 ARG A 75 -14.833 -15.495 -16.093 1.00 3.23 N ATOM 1139 NH2 ARG A 75 -15.840 -14.873 -14.127 1.00 34.41 N ATOM 0 H ARG A 75 -9.099 -12.887 -14.894 1.00 33.30 H new ATOM 0 HA ARG A 75 -10.046 -11.375 -12.800 1.00 60.12 H new ATOM 0 HB2 ARG A 75 -12.027 -12.957 -12.913 1.00 22.10 H new ATOM 0 HB3 ARG A 75 -11.558 -12.222 -14.433 1.00 22.10 H new ATOM 0 HG2 ARG A 75 -10.217 -14.358 -14.907 1.00 13.44 H new ATOM 0 HG3 ARG A 75 -11.016 -15.064 -13.516 1.00 13.44 H new ATOM 0 HD2 ARG A 75 -12.374 -13.951 -16.003 1.00 3.30 H new ATOM 0 HD3 ARG A 75 -12.220 -15.643 -15.574 1.00 3.30 H new ATOM 0 HE ARG A 75 -13.548 -14.169 -13.463 1.00 71.23 H new ATOM 0 HH11 ARG A 75 -13.997 -15.577 -16.671 1.00 3.23 H new ATOM 0 HH12 ARG A 75 -15.734 -15.812 -16.451 1.00 3.23 H new ATOM 0 HH21 ARG A 75 -15.780 -14.475 -13.190 1.00 34.41 H new ATOM 0 HH22 ARG A 75 -16.739 -15.191 -14.489 1.00 34.41 H new ATOM 1153 N VAL A 76 -9.337 -14.467 -11.850 1.00 43.01 N ATOM 1154 CA VAL A 76 -9.060 -15.298 -10.685 1.00 34.43 C ATOM 1155 C VAL A 76 -8.249 -16.530 -11.069 1.00 23.44 C ATOM 1156 O VAL A 76 -7.989 -16.774 -12.248 1.00 13.01 O ATOM 1157 CB VAL A 76 -10.362 -15.749 -9.995 1.00 60.04 C ATOM 1158 CG1 VAL A 76 -10.869 -14.668 -9.053 1.00 55.14 C ATOM 1159 CG2 VAL A 76 -11.418 -16.104 -11.032 1.00 1.55 C ATOM 0 H VAL A 76 -9.239 -14.948 -12.744 1.00 43.01 H new ATOM 0 HA VAL A 76 -8.482 -14.688 -9.991 1.00 34.43 H new ATOM 0 HB VAL A 76 -10.151 -16.641 -9.405 1.00 60.04 H new ATOM 0 HG11 VAL A 76 -11.789 -15.004 -8.575 1.00 55.14 H new ATOM 0 HG12 VAL A 76 -10.116 -14.467 -8.291 1.00 55.14 H new ATOM 0 HG13 VAL A 76 -11.066 -13.756 -9.617 1.00 55.14 H new ATOM 0 HG21 VAL A 76 -12.331 -16.420 -10.528 1.00 1.55 H new ATOM 0 HG22 VAL A 76 -11.629 -15.231 -11.650 1.00 1.55 H new ATOM 0 HG23 VAL A 76 -11.052 -16.915 -11.662 1.00 1.55 H new ATOM 1169 N LEU A 77 -7.850 -17.305 -10.066 1.00 72.40 N ATOM 1170 CA LEU A 77 -7.068 -18.514 -10.298 1.00 25.51 C ATOM 1171 C LEU A 77 -7.920 -19.598 -10.950 1.00 31.55 C ATOM 1172 O LEU A 77 -9.148 -19.511 -10.968 1.00 14.01 O ATOM 1173 CB LEU A 77 -6.486 -19.030 -8.980 1.00 74.02 C ATOM 1174 CG LEU A 77 -5.535 -18.082 -8.250 1.00 11.35 C ATOM 1175 CD1 LEU A 77 -4.772 -18.823 -7.163 1.00 34.42 C ATOM 1176 CD2 LEU A 77 -4.571 -17.432 -9.232 1.00 31.14 C ATOM 0 H LEU A 77 -8.055 -17.117 -9.085 1.00 72.40 H new ATOM 0 HA LEU A 77 -6.252 -18.264 -10.975 1.00 25.51 H new ATOM 0 HB2 LEU A 77 -7.312 -19.270 -8.311 1.00 74.02 H new ATOM 0 HB3 LEU A 77 -5.956 -19.961 -9.180 1.00 74.02 H new ATOM 0 HG LEU A 77 -6.127 -17.297 -7.779 1.00 11.35 H new ATOM 0 HD11 LEU A 77 -4.100 -18.132 -6.654 1.00 34.42 H new ATOM 0 HD12 LEU A 77 -5.477 -19.240 -6.443 1.00 34.42 H new ATOM 0 HD13 LEU A 77 -4.192 -19.629 -7.611 1.00 34.42 H new ATOM 0 HD21 LEU A 77 -3.902 -16.760 -8.694 1.00 31.14 H new ATOM 0 HD22 LEU A 77 -3.986 -18.204 -9.732 1.00 31.14 H new ATOM 0 HD23 LEU A 77 -5.134 -16.866 -9.974 1.00 31.14 H new ATOM 1188 N THR A 78 -7.261 -20.622 -11.483 1.00 24.55 N ATOM 1189 CA THR A 78 -7.957 -21.724 -12.134 1.00 73.31 C ATOM 1190 C THR A 78 -7.676 -23.046 -11.429 1.00 61.31 C ATOM 1191 O THR A 78 -7.071 -23.073 -10.358 1.00 2.25 O ATOM 1192 CB THR A 78 -7.551 -21.849 -13.615 1.00 12.42 C ATOM 1193 OG1 THR A 78 -8.462 -22.714 -14.302 1.00 14.43 O ATOM 1194 CG2 THR A 78 -6.135 -22.390 -13.744 1.00 53.40 C ATOM 0 H THR A 78 -6.245 -20.711 -11.476 1.00 24.55 H new ATOM 0 HA THR A 78 -9.023 -21.503 -12.074 1.00 73.31 H new ATOM 0 HB THR A 78 -7.586 -20.856 -14.063 1.00 12.42 H new ATOM 0 HG1 THR A 78 -8.198 -22.787 -15.243 1.00 14.43 H new ATOM 0 HG21 THR A 78 -5.871 -22.470 -14.798 1.00 53.40 H new ATOM 0 HG22 THR A 78 -5.440 -21.714 -13.246 1.00 53.40 H new ATOM 0 HG23 THR A 78 -6.078 -23.375 -13.280 1.00 53.40 H new ATOM 1202 N SER A 79 -8.118 -24.142 -12.038 1.00 31.12 N ATOM 1203 CA SER A 79 -7.916 -25.468 -11.466 1.00 72.32 C ATOM 1204 C SER A 79 -6.478 -25.934 -11.669 1.00 64.01 C ATOM 1205 O SER A 79 -6.228 -26.952 -12.314 1.00 74.10 O ATOM 1206 CB SER A 79 -8.883 -26.472 -12.098 1.00 10.31 C ATOM 1207 OG SER A 79 -10.229 -26.130 -11.816 1.00 30.14 O ATOM 0 H SER A 79 -8.618 -24.138 -12.927 1.00 31.12 H new ATOM 0 HA SER A 79 -8.113 -25.408 -10.396 1.00 72.32 H new ATOM 0 HB2 SER A 79 -8.730 -26.500 -13.177 1.00 10.31 H new ATOM 0 HB3 SER A 79 -8.672 -27.472 -11.720 1.00 10.31 H new ATOM 0 HG SER A 79 -10.827 -26.785 -12.232 1.00 30.14 H new ATOM 1213 N ALA A 80 -5.534 -25.180 -11.113 1.00 74.55 N ATOM 1214 CA ALA A 80 -4.121 -25.516 -11.231 1.00 2.10 C ATOM 1215 C ALA A 80 -3.254 -24.514 -10.476 1.00 12.31 C ATOM 1216 O ALA A 80 -2.251 -24.883 -9.867 1.00 1.03 O ATOM 1217 CB ALA A 80 -3.712 -25.572 -12.695 1.00 63.34 C ATOM 0 H ALA A 80 -5.723 -24.333 -10.577 1.00 74.55 H new ATOM 0 HA ALA A 80 -3.968 -26.499 -10.785 1.00 2.10 H new ATOM 0 HB1 ALA A 80 -2.654 -25.824 -12.768 1.00 63.34 H new ATOM 0 HB2 ALA A 80 -4.302 -26.331 -13.209 1.00 63.34 H new ATOM 0 HB3 ALA A 80 -3.886 -24.601 -13.159 1.00 63.34 H new ATOM 1223 N GLU A 81 -3.648 -23.245 -10.521 1.00 53.15 N ATOM 1224 CA GLU A 81 -2.905 -22.190 -9.842 1.00 72.12 C ATOM 1225 C GLU A 81 -3.242 -22.159 -8.354 1.00 52.22 C ATOM 1226 O GLU A 81 -2.352 -22.148 -7.504 1.00 4.23 O ATOM 1227 CB GLU A 81 -3.212 -20.831 -10.475 1.00 13.04 C ATOM 1228 CG GLU A 81 -2.854 -20.751 -11.949 1.00 4.41 C ATOM 1229 CD GLU A 81 -2.877 -19.330 -12.478 1.00 51.14 C ATOM 1230 OE1 GLU A 81 -2.078 -18.502 -11.994 1.00 24.21 O ATOM 1231 OE2 GLU A 81 -3.696 -19.046 -13.378 1.00 64.42 O ATOM 0 H GLU A 81 -4.477 -22.923 -11.020 1.00 53.15 H new ATOM 0 HA GLU A 81 -1.841 -22.401 -9.951 1.00 72.12 H new ATOM 0 HB2 GLU A 81 -4.274 -20.616 -10.356 1.00 13.04 H new ATOM 0 HB3 GLU A 81 -2.667 -20.057 -9.935 1.00 13.04 H new ATOM 0 HG2 GLU A 81 -1.862 -21.176 -12.102 1.00 4.41 H new ATOM 0 HG3 GLU A 81 -3.553 -21.360 -12.523 1.00 4.41 H new ATOM 1238 N THR A 82 -4.535 -22.144 -8.046 1.00 55.14 N ATOM 1239 CA THR A 82 -4.991 -22.112 -6.663 1.00 34.05 C ATOM 1240 C THR A 82 -4.549 -23.361 -5.909 1.00 72.20 C ATOM 1241 O THR A 82 -4.198 -23.297 -4.731 1.00 1.43 O ATOM 1242 CB THR A 82 -6.525 -21.992 -6.579 1.00 2.31 C ATOM 1243 OG1 THR A 82 -7.053 -21.569 -7.841 1.00 64.01 O ATOM 1244 CG2 THR A 82 -6.932 -21.003 -5.497 1.00 22.35 C ATOM 0 H THR A 82 -5.285 -22.154 -8.737 1.00 55.14 H new ATOM 0 HA THR A 82 -4.539 -21.233 -6.202 1.00 34.05 H new ATOM 0 HB THR A 82 -6.931 -22.971 -6.325 1.00 2.31 H new ATOM 0 HG1 THR A 82 -8.028 -21.497 -7.780 1.00 64.01 H new ATOM 0 HG21 THR A 82 -8.019 -20.935 -5.456 1.00 22.35 H new ATOM 0 HG22 THR A 82 -6.553 -21.342 -4.533 1.00 22.35 H new ATOM 0 HG23 THR A 82 -6.515 -20.022 -5.725 1.00 22.35 H new ATOM 1252 N LYS A 83 -4.568 -24.498 -6.596 1.00 21.42 N ATOM 1253 CA LYS A 83 -4.167 -25.764 -5.993 1.00 2.24 C ATOM 1254 C LYS A 83 -2.656 -25.816 -5.791 1.00 2.31 C ATOM 1255 O LYS A 83 -2.176 -26.178 -4.717 1.00 64.45 O ATOM 1256 CB LYS A 83 -4.616 -26.935 -6.869 1.00 65.23 C ATOM 1257 CG LYS A 83 -6.104 -26.934 -7.171 1.00 51.32 C ATOM 1258 CD LYS A 83 -6.902 -27.569 -6.045 1.00 11.22 C ATOM 1259 CE LYS A 83 -8.399 -27.440 -6.281 1.00 72.21 C ATOM 1260 NZ LYS A 83 -9.190 -28.043 -5.172 1.00 45.12 N ATOM 0 H LYS A 83 -4.857 -24.569 -7.572 1.00 21.42 H new ATOM 0 HA LYS A 83 -4.649 -25.842 -5.018 1.00 2.24 H new ATOM 0 HB2 LYS A 83 -4.063 -26.908 -7.808 1.00 65.23 H new ATOM 0 HB3 LYS A 83 -4.355 -27.870 -6.373 1.00 65.23 H new ATOM 0 HG2 LYS A 83 -6.444 -25.910 -7.326 1.00 51.32 H new ATOM 0 HG3 LYS A 83 -6.288 -27.475 -8.099 1.00 51.32 H new ATOM 0 HD2 LYS A 83 -6.636 -28.622 -5.958 1.00 11.22 H new ATOM 0 HD3 LYS A 83 -6.640 -27.095 -5.099 1.00 11.22 H new ATOM 0 HE2 LYS A 83 -8.661 -26.387 -6.383 1.00 72.21 H new ATOM 0 HE3 LYS A 83 -8.662 -27.926 -7.220 1.00 72.21 H new ATOM 0 HZ1 LYS A 83 -10.205 -27.934 -5.371 1.00 45.12 H new ATOM 0 HZ2 LYS A 83 -8.959 -29.054 -5.091 1.00 45.12 H new ATOM 0 HZ3 LYS A 83 -8.959 -27.562 -4.279 1.00 45.12 H new ATOM 1274 N ALA A 84 -1.912 -25.449 -6.829 1.00 62.44 N ATOM 1275 CA ALA A 84 -0.456 -25.451 -6.764 1.00 64.04 C ATOM 1276 C ALA A 84 0.053 -24.373 -5.813 1.00 54.24 C ATOM 1277 O ALA A 84 1.239 -24.326 -5.489 1.00 24.20 O ATOM 1278 CB ALA A 84 0.135 -25.254 -8.153 1.00 11.03 C ATOM 0 H ALA A 84 -2.294 -25.146 -7.725 1.00 62.44 H new ATOM 0 HA ALA A 84 -0.136 -26.419 -6.379 1.00 64.04 H new ATOM 0 HB1 ALA A 84 1.223 -25.258 -8.089 1.00 11.03 H new ATOM 0 HB2 ALA A 84 -0.193 -26.063 -8.806 1.00 11.03 H new ATOM 0 HB3 ALA A 84 -0.201 -24.300 -8.560 1.00 11.03 H new ATOM 1284 N PHE A 85 -0.853 -23.507 -5.370 1.00 3.10 N ATOM 1285 CA PHE A 85 -0.495 -22.427 -4.457 1.00 73.40 C ATOM 1286 C PHE A 85 -0.942 -22.749 -3.034 1.00 5.33 C ATOM 1287 O PHE A 85 -0.174 -22.602 -2.082 1.00 25.11 O ATOM 1288 CB PHE A 85 -1.127 -21.112 -4.917 1.00 1.21 C ATOM 1289 CG PHE A 85 -0.619 -19.910 -4.172 1.00 32.51 C ATOM 1290 CD1 PHE A 85 0.613 -19.358 -4.480 1.00 3.30 C ATOM 1291 CD2 PHE A 85 -1.374 -19.334 -3.163 1.00 74.41 C ATOM 1292 CE1 PHE A 85 1.083 -18.252 -3.797 1.00 3.14 C ATOM 1293 CE2 PHE A 85 -0.910 -18.228 -2.477 1.00 21.43 C ATOM 1294 CZ PHE A 85 0.321 -17.687 -2.793 1.00 20.31 C ATOM 0 H PHE A 85 -1.839 -23.532 -5.628 1.00 3.10 H new ATOM 0 HA PHE A 85 0.590 -22.322 -4.464 1.00 73.40 H new ATOM 0 HB2 PHE A 85 -0.934 -20.978 -5.981 1.00 1.21 H new ATOM 0 HB3 PHE A 85 -2.208 -21.175 -4.795 1.00 1.21 H new ATOM 0 HD1 PHE A 85 1.214 -19.797 -5.263 1.00 3.30 H new ATOM 0 HD2 PHE A 85 -2.336 -19.754 -2.910 1.00 74.41 H new ATOM 0 HE1 PHE A 85 2.045 -17.830 -4.048 1.00 3.14 H new ATOM 0 HE2 PHE A 85 -1.509 -17.787 -1.694 1.00 21.43 H new ATOM 0 HZ PHE A 85 0.687 -16.824 -2.256 1.00 20.31 H new ATOM 1304 N LEU A 86 -2.188 -23.187 -2.896 1.00 21.02 N ATOM 1305 CA LEU A 86 -2.738 -23.529 -1.589 1.00 35.21 C ATOM 1306 C LEU A 86 -2.027 -24.743 -0.999 1.00 52.21 C ATOM 1307 O LEU A 86 -1.511 -24.690 0.117 1.00 64.24 O ATOM 1308 CB LEU A 86 -4.238 -23.808 -1.703 1.00 32.15 C ATOM 1309 CG LEU A 86 -5.070 -23.529 -0.450 1.00 24.21 C ATOM 1310 CD1 LEU A 86 -6.525 -23.287 -0.818 1.00 50.43 C ATOM 1311 CD2 LEU A 86 -4.952 -24.683 0.536 1.00 52.41 C ATOM 0 H LEU A 86 -2.837 -23.314 -3.673 1.00 21.02 H new ATOM 0 HA LEU A 86 -2.581 -22.681 -0.923 1.00 35.21 H new ATOM 0 HB2 LEU A 86 -4.638 -23.209 -2.521 1.00 32.15 H new ATOM 0 HB3 LEU A 86 -4.373 -24.854 -1.979 1.00 32.15 H new ATOM 0 HG LEU A 86 -4.683 -22.628 0.027 1.00 24.21 H new ATOM 0 HD11 LEU A 86 -7.101 -23.090 0.086 1.00 50.43 H new ATOM 0 HD12 LEU A 86 -6.593 -22.428 -1.486 1.00 50.43 H new ATOM 0 HD13 LEU A 86 -6.925 -24.169 -1.319 1.00 50.43 H new ATOM 0 HD21 LEU A 86 -5.550 -24.468 1.421 1.00 52.41 H new ATOM 0 HD22 LEU A 86 -5.313 -25.599 0.069 1.00 52.41 H new ATOM 0 HD23 LEU A 86 -3.909 -24.809 0.825 1.00 52.41 H new ATOM 1323 N ALA A 87 -2.003 -25.834 -1.757 1.00 60.20 N ATOM 1324 CA ALA A 87 -1.351 -27.059 -1.311 1.00 73.43 C ATOM 1325 C ALA A 87 0.154 -26.861 -1.171 1.00 42.13 C ATOM 1326 O ALA A 87 0.843 -27.678 -0.562 1.00 4.03 O ATOM 1327 CB ALA A 87 -1.648 -28.197 -2.278 1.00 10.43 C ATOM 0 H ALA A 87 -2.427 -25.895 -2.683 1.00 60.20 H new ATOM 0 HA ALA A 87 -1.750 -27.317 -0.330 1.00 73.43 H new ATOM 0 HB1 ALA A 87 -1.155 -29.106 -1.933 1.00 10.43 H new ATOM 0 HB2 ALA A 87 -2.724 -28.363 -2.325 1.00 10.43 H new ATOM 0 HB3 ALA A 87 -1.278 -27.938 -3.270 1.00 10.43 H new ATOM 1333 N ALA A 88 0.658 -25.771 -1.740 1.00 40.34 N ATOM 1334 CA ALA A 88 2.082 -25.465 -1.678 1.00 13.44 C ATOM 1335 C ALA A 88 2.385 -24.495 -0.540 1.00 62.14 C ATOM 1336 O ALA A 88 3.484 -24.497 0.014 1.00 75.32 O ATOM 1337 CB ALA A 88 2.557 -24.891 -3.004 1.00 42.31 C ATOM 0 H ALA A 88 0.101 -25.085 -2.249 1.00 40.34 H new ATOM 0 HA ALA A 88 2.620 -26.393 -1.483 1.00 13.44 H new ATOM 0 HB1 ALA A 88 3.622 -24.667 -2.943 1.00 42.31 H new ATOM 0 HB2 ALA A 88 2.384 -25.618 -3.798 1.00 42.31 H new ATOM 0 HB3 ALA A 88 2.006 -23.976 -3.223 1.00 42.31 H new ATOM 1343 N GLY A 89 1.404 -23.666 -0.198 1.00 32.04 N ATOM 1344 CA GLY A 89 1.587 -22.702 0.872 1.00 54.15 C ATOM 1345 C GLY A 89 1.052 -23.200 2.199 1.00 31.44 C ATOM 1346 O GLY A 89 1.805 -23.353 3.162 1.00 53.14 O ATOM 0 H GLY A 89 0.486 -23.644 -0.642 1.00 32.04 H new ATOM 0 HA2 GLY A 89 2.648 -22.474 0.974 1.00 54.15 H new ATOM 0 HA3 GLY A 89 1.085 -21.771 0.608 1.00 54.15 H new ATOM 1350 N ASP A 90 -0.251 -23.453 2.253 1.00 31.32 N ATOM 1351 CA ASP A 90 -0.886 -23.937 3.474 1.00 54.24 C ATOM 1352 C ASP A 90 -0.147 -25.151 4.027 1.00 62.02 C ATOM 1353 O ASP A 90 -0.292 -26.264 3.521 1.00 34.40 O ATOM 1354 CB ASP A 90 -2.349 -24.294 3.206 1.00 53.35 C ATOM 1355 CG ASP A 90 -2.915 -25.239 4.247 1.00 22.01 C ATOM 1356 OD1 ASP A 90 -2.650 -25.025 5.449 1.00 70.41 O ATOM 1357 OD2 ASP A 90 -3.623 -26.192 3.861 1.00 40.04 O ATOM 0 H ASP A 90 -0.888 -23.331 1.466 1.00 31.32 H new ATOM 0 HA ASP A 90 -0.844 -23.140 4.216 1.00 54.24 H new ATOM 0 HB2 ASP A 90 -2.945 -23.381 3.186 1.00 53.35 H new ATOM 0 HB3 ASP A 90 -2.433 -24.751 2.220 1.00 53.35 H new ATOM 1362 N THR A 91 0.649 -24.929 5.069 1.00 73.14 N ATOM 1363 CA THR A 91 1.413 -26.004 5.689 1.00 0.32 C ATOM 1364 C THR A 91 1.022 -26.183 7.152 1.00 74.25 C ATOM 1365 O THR A 91 0.918 -27.307 7.643 1.00 74.33 O ATOM 1366 CB THR A 91 2.928 -25.738 5.604 1.00 52.50 C ATOM 1367 OG1 THR A 91 3.217 -24.408 6.050 1.00 44.14 O ATOM 1368 CG2 THR A 91 3.430 -25.921 4.180 1.00 62.21 C ATOM 0 H THR A 91 0.781 -24.014 5.501 1.00 73.14 H new ATOM 0 HA THR A 91 1.180 -26.916 5.139 1.00 0.32 H new ATOM 0 HB THR A 91 3.438 -26.455 6.247 1.00 52.50 H new ATOM 0 HG1 THR A 91 4.182 -24.247 5.995 1.00 44.14 H new ATOM 0 HG21 THR A 91 4.502 -25.728 4.145 1.00 62.21 H new ATOM 0 HG22 THR A 91 3.234 -26.942 3.854 1.00 62.21 H new ATOM 0 HG23 THR A 91 2.914 -25.224 3.520 1.00 62.21 H new ATOM 1376 N ASP A 92 0.805 -25.069 7.842 1.00 21.21 N ATOM 1377 CA ASP A 92 0.423 -25.104 9.249 1.00 0.20 C ATOM 1378 C ASP A 92 -1.067 -24.820 9.415 1.00 44.53 C ATOM 1379 O ASP A 92 -1.504 -24.332 10.456 1.00 43.40 O ATOM 1380 CB ASP A 92 1.241 -24.087 10.047 1.00 52.12 C ATOM 1381 CG ASP A 92 2.682 -24.520 10.231 1.00 0.30 C ATOM 1382 OD1 ASP A 92 2.917 -25.500 10.968 1.00 41.11 O ATOM 1383 OD2 ASP A 92 3.575 -23.878 9.639 1.00 0.40 O ATOM 0 H ASP A 92 0.887 -24.131 7.450 1.00 21.21 H new ATOM 0 HA ASP A 92 0.629 -26.104 9.631 1.00 0.20 H new ATOM 0 HB2 ASP A 92 1.216 -23.124 9.536 1.00 52.12 H new ATOM 0 HB3 ASP A 92 0.781 -23.941 11.024 1.00 52.12 H new ATOM 1388 N GLY A 93 -1.842 -25.128 8.379 1.00 4.40 N ATOM 1389 CA GLY A 93 -3.274 -24.897 8.430 1.00 65.03 C ATOM 1390 C GLY A 93 -4.062 -25.995 7.744 1.00 32.23 C ATOM 1391 O GLY A 93 -3.547 -27.090 7.519 1.00 71.43 O ATOM 0 H GLY A 93 -1.504 -25.533 7.506 1.00 4.40 H new ATOM 0 HA2 GLY A 93 -3.590 -24.823 9.470 1.00 65.03 H new ATOM 0 HA3 GLY A 93 -3.502 -23.941 7.958 1.00 65.03 H new ATOM 1395 N ASP A 94 -5.315 -25.703 7.414 1.00 73.31 N ATOM 1396 CA ASP A 94 -6.177 -26.675 6.751 1.00 52.13 C ATOM 1397 C ASP A 94 -6.969 -26.019 5.624 1.00 13.20 C ATOM 1398 O ASP A 94 -8.192 -25.905 5.696 1.00 51.31 O ATOM 1399 CB ASP A 94 -7.134 -27.312 7.760 1.00 70.14 C ATOM 1400 CG ASP A 94 -6.432 -28.280 8.691 1.00 32.43 C ATOM 1401 OD1 ASP A 94 -6.239 -29.450 8.297 1.00 53.32 O ATOM 1402 OD2 ASP A 94 -6.075 -27.869 9.815 1.00 40.23 O ATOM 0 H ASP A 94 -5.757 -24.801 7.595 1.00 73.31 H new ATOM 0 HA ASP A 94 -5.544 -27.452 6.322 1.00 52.13 H new ATOM 0 HB2 ASP A 94 -7.612 -26.528 8.348 1.00 70.14 H new ATOM 0 HB3 ASP A 94 -7.926 -27.836 7.225 1.00 70.14 H new ATOM 1407 N GLY A 95 -6.263 -25.588 4.583 1.00 5.24 N ATOM 1408 CA GLY A 95 -6.916 -24.947 3.457 1.00 20.20 C ATOM 1409 C GLY A 95 -6.707 -23.446 3.442 1.00 1.05 C ATOM 1410 O GLY A 95 -6.816 -22.806 2.396 1.00 21.13 O ATOM 0 H GLY A 95 -5.250 -25.672 4.500 1.00 5.24 H new ATOM 0 HA2 GLY A 95 -6.534 -25.373 2.529 1.00 20.20 H new ATOM 0 HA3 GLY A 95 -7.984 -25.161 3.490 1.00 20.20 H new ATOM 1414 N LYS A 96 -6.407 -22.881 4.607 1.00 40.31 N ATOM 1415 CA LYS A 96 -6.182 -21.445 4.726 1.00 54.03 C ATOM 1416 C LYS A 96 -4.696 -21.137 4.876 1.00 20.43 C ATOM 1417 O LYS A 96 -3.949 -21.916 5.469 1.00 64.11 O ATOM 1418 CB LYS A 96 -6.954 -20.885 5.923 1.00 42.53 C ATOM 1419 CG LYS A 96 -8.360 -21.442 6.055 1.00 74.11 C ATOM 1420 CD LYS A 96 -9.167 -20.680 7.093 1.00 20.31 C ATOM 1421 CE LYS A 96 -10.491 -21.369 7.385 1.00 14.22 C ATOM 1422 NZ LYS A 96 -11.226 -20.708 8.499 1.00 54.20 N ATOM 0 H LYS A 96 -6.314 -23.396 5.482 1.00 40.31 H new ATOM 0 HA LYS A 96 -6.542 -20.969 3.814 1.00 54.03 H new ATOM 0 HB2 LYS A 96 -6.399 -21.102 6.836 1.00 42.53 H new ATOM 0 HB3 LYS A 96 -7.009 -19.800 5.834 1.00 42.53 H new ATOM 0 HG2 LYS A 96 -8.865 -21.390 5.090 1.00 74.11 H new ATOM 0 HG3 LYS A 96 -8.311 -22.495 6.332 1.00 74.11 H new ATOM 0 HD2 LYS A 96 -8.589 -20.594 8.013 1.00 20.31 H new ATOM 0 HD3 LYS A 96 -9.354 -19.666 6.738 1.00 20.31 H new ATOM 0 HE2 LYS A 96 -11.110 -21.363 6.487 1.00 14.22 H new ATOM 0 HE3 LYS A 96 -10.309 -22.413 7.639 1.00 14.22 H new ATOM 0 HZ1 LYS A 96 -12.123 -21.207 8.667 1.00 54.20 H new ATOM 0 HZ2 LYS A 96 -10.647 -20.736 9.362 1.00 54.20 H new ATOM 0 HZ3 LYS A 96 -11.423 -19.718 8.246 1.00 54.20 H new ATOM 1436 N ILE A 97 -4.275 -19.998 4.338 1.00 63.02 N ATOM 1437 CA ILE A 97 -2.878 -19.587 4.415 1.00 33.52 C ATOM 1438 C ILE A 97 -2.737 -18.251 5.135 1.00 14.40 C ATOM 1439 O ILE A 97 -3.586 -17.370 5.003 1.00 53.01 O ATOM 1440 CB ILE A 97 -2.247 -19.473 3.015 1.00 23.02 C ATOM 1441 CG1 ILE A 97 -2.224 -20.840 2.329 1.00 61.32 C ATOM 1442 CG2 ILE A 97 -0.841 -18.900 3.114 1.00 63.23 C ATOM 1443 CD1 ILE A 97 -1.582 -20.818 0.959 1.00 34.11 C ATOM 0 H ILE A 97 -4.881 -19.343 3.844 1.00 63.02 H new ATOM 0 HA ILE A 97 -2.353 -20.358 4.979 1.00 33.52 H new ATOM 0 HB ILE A 97 -2.853 -18.796 2.413 1.00 23.02 H new ATOM 0 HG12 ILE A 97 -1.686 -21.546 2.962 1.00 61.32 H new ATOM 0 HG13 ILE A 97 -3.246 -21.208 2.237 1.00 61.32 H new ATOM 0 HG21 ILE A 97 -0.408 -18.825 2.117 1.00 63.23 H new ATOM 0 HG22 ILE A 97 -0.883 -17.909 3.567 1.00 63.23 H new ATOM 0 HG23 ILE A 97 -0.224 -19.554 3.730 1.00 63.23 H new ATOM 0 HD11 ILE A 97 -1.601 -21.821 0.532 1.00 34.11 H new ATOM 0 HD12 ILE A 97 -2.133 -20.137 0.310 1.00 34.11 H new ATOM 0 HD13 ILE A 97 -0.549 -20.480 1.046 1.00 34.11 H new ATOM 1455 N GLY A 98 -1.657 -18.105 5.897 1.00 71.44 N ATOM 1456 CA GLY A 98 -1.423 -16.872 6.625 1.00 33.20 C ATOM 1457 C GLY A 98 -0.126 -16.199 6.224 1.00 62.01 C ATOM 1458 O GLY A 98 0.047 -15.805 5.071 1.00 52.55 O ATOM 0 H GLY A 98 -0.940 -18.819 6.023 1.00 71.44 H new ATOM 0 HA2 GLY A 98 -2.253 -16.187 6.450 1.00 33.20 H new ATOM 0 HA3 GLY A 98 -1.404 -17.083 7.694 1.00 33.20 H new ATOM 1462 N VAL A 99 0.790 -16.065 7.178 1.00 34.35 N ATOM 1463 CA VAL A 99 2.078 -15.434 6.919 1.00 22.40 C ATOM 1464 C VAL A 99 3.213 -16.449 6.999 1.00 20.33 C ATOM 1465 O VAL A 99 3.978 -16.616 6.050 1.00 54.23 O ATOM 1466 CB VAL A 99 2.354 -14.292 7.915 1.00 64.14 C ATOM 1467 CG1 VAL A 99 2.266 -12.943 7.218 1.00 72.05 C ATOM 1468 CG2 VAL A 99 1.386 -14.361 9.086 1.00 40.12 C ATOM 0 H VAL A 99 0.663 -16.385 8.138 1.00 34.35 H new ATOM 0 HA VAL A 99 2.032 -15.023 5.910 1.00 22.40 H new ATOM 0 HB VAL A 99 3.366 -14.408 8.303 1.00 64.14 H new ATOM 0 HG11 VAL A 99 2.464 -12.148 7.937 1.00 72.05 H new ATOM 0 HG12 VAL A 99 3.003 -12.899 6.416 1.00 72.05 H new ATOM 0 HG13 VAL A 99 1.268 -12.814 6.800 1.00 72.05 H new ATOM 0 HG21 VAL A 99 1.596 -13.547 9.780 1.00 40.12 H new ATOM 0 HG22 VAL A 99 0.364 -14.271 8.719 1.00 40.12 H new ATOM 0 HG23 VAL A 99 1.504 -15.315 9.600 1.00 40.12 H new ATOM 1478 N GLU A 100 3.316 -17.125 8.139 1.00 34.34 N ATOM 1479 CA GLU A 100 4.358 -18.124 8.343 1.00 22.22 C ATOM 1480 C GLU A 100 4.372 -19.137 7.202 1.00 73.11 C ATOM 1481 O GLU A 100 5.422 -19.668 6.843 1.00 41.14 O ATOM 1482 CB GLU A 100 4.151 -18.845 9.677 1.00 41.01 C ATOM 1483 CG GLU A 100 5.207 -18.514 10.718 1.00 65.42 C ATOM 1484 CD GLU A 100 5.256 -19.530 11.843 1.00 14.20 C ATOM 1485 OE1 GLU A 100 5.993 -20.529 11.710 1.00 10.34 O ATOM 1486 OE2 GLU A 100 4.555 -19.325 12.857 1.00 44.33 O ATOM 0 H GLU A 100 2.691 -16.999 8.935 1.00 34.34 H new ATOM 0 HA GLU A 100 5.319 -17.610 8.361 1.00 22.22 H new ATOM 0 HB2 GLU A 100 3.169 -18.585 10.072 1.00 41.01 H new ATOM 0 HB3 GLU A 100 4.150 -19.921 9.502 1.00 41.01 H new ATOM 0 HG2 GLU A 100 6.183 -18.464 10.236 1.00 65.42 H new ATOM 0 HG3 GLU A 100 5.005 -17.527 11.134 1.00 65.42 H new ATOM 1493 N GLU A 101 3.197 -19.400 6.637 1.00 1.44 N ATOM 1494 CA GLU A 101 3.074 -20.350 5.538 1.00 10.22 C ATOM 1495 C GLU A 101 3.416 -19.688 4.206 1.00 33.12 C ATOM 1496 O GLU A 101 3.961 -20.326 3.305 1.00 13.11 O ATOM 1497 CB GLU A 101 1.656 -20.923 5.486 1.00 2.15 C ATOM 1498 CG GLU A 101 1.207 -21.554 6.794 1.00 54.43 C ATOM 1499 CD GLU A 101 -0.291 -21.788 6.844 1.00 63.13 C ATOM 1500 OE1 GLU A 101 -1.028 -20.845 7.198 1.00 10.14 O ATOM 1501 OE2 GLU A 101 -0.725 -22.916 6.528 1.00 42.34 O ATOM 0 H GLU A 101 2.318 -18.969 6.922 1.00 1.44 H new ATOM 0 HA GLU A 101 3.780 -21.162 5.713 1.00 10.22 H new ATOM 0 HB2 GLU A 101 0.961 -20.127 5.219 1.00 2.15 H new ATOM 0 HB3 GLU A 101 1.604 -21.671 4.695 1.00 2.15 H new ATOM 0 HG2 GLU A 101 1.724 -22.504 6.932 1.00 54.43 H new ATOM 0 HG3 GLU A 101 1.498 -20.909 7.623 1.00 54.43 H new ATOM 1508 N PHE A 102 3.091 -18.405 4.089 1.00 11.23 N ATOM 1509 CA PHE A 102 3.361 -17.656 2.868 1.00 45.14 C ATOM 1510 C PHE A 102 4.860 -17.601 2.584 1.00 72.22 C ATOM 1511 O PHE A 102 5.325 -18.095 1.557 1.00 42.40 O ATOM 1512 CB PHE A 102 2.800 -16.237 2.979 1.00 11.00 C ATOM 1513 CG PHE A 102 2.851 -15.469 1.689 1.00 3.03 C ATOM 1514 CD1 PHE A 102 1.918 -15.701 0.692 1.00 62.13 C ATOM 1515 CD2 PHE A 102 3.833 -14.515 1.474 1.00 22.22 C ATOM 1516 CE1 PHE A 102 1.962 -14.996 -0.496 1.00 43.12 C ATOM 1517 CE2 PHE A 102 3.882 -13.807 0.289 1.00 41.34 C ATOM 1518 CZ PHE A 102 2.946 -14.048 -0.698 1.00 63.13 C ATOM 0 H PHE A 102 2.640 -17.862 4.825 1.00 11.23 H new ATOM 0 HA PHE A 102 2.870 -18.169 2.041 1.00 45.14 H new ATOM 0 HB2 PHE A 102 1.766 -16.289 3.321 1.00 11.00 H new ATOM 0 HB3 PHE A 102 3.360 -15.692 3.739 1.00 11.00 H new ATOM 0 HD1 PHE A 102 1.147 -16.442 0.845 1.00 62.13 H new ATOM 0 HD2 PHE A 102 4.568 -14.323 2.242 1.00 22.22 H new ATOM 0 HE1 PHE A 102 1.228 -15.186 -1.265 1.00 43.12 H new ATOM 0 HE2 PHE A 102 4.652 -13.065 0.134 1.00 41.34 H new ATOM 0 HZ PHE A 102 2.984 -13.496 -1.626 1.00 63.13 H new ATOM 1528 N GLN A 103 5.608 -16.997 3.501 1.00 21.22 N ATOM 1529 CA GLN A 103 7.053 -16.877 3.349 1.00 2.31 C ATOM 1530 C GLN A 103 7.694 -18.244 3.139 1.00 64.41 C ATOM 1531 O GLN A 103 8.708 -18.367 2.451 1.00 11.41 O ATOM 1532 CB GLN A 103 7.662 -16.198 4.578 1.00 73.33 C ATOM 1533 CG GLN A 103 7.245 -16.835 5.893 1.00 34.24 C ATOM 1534 CD GLN A 103 8.189 -16.498 7.030 1.00 23.32 C ATOM 1535 OE1 GLN A 103 8.457 -15.328 7.305 1.00 74.05 O ATOM 1536 NE2 GLN A 103 8.701 -17.525 7.699 1.00 33.03 N ATOM 0 H GLN A 103 5.238 -16.583 4.357 1.00 21.22 H new ATOM 0 HA GLN A 103 7.250 -16.265 2.469 1.00 2.31 H new ATOM 0 HB2 GLN A 103 8.749 -16.227 4.498 1.00 73.33 H new ATOM 0 HB3 GLN A 103 7.371 -15.148 4.584 1.00 73.33 H new ATOM 0 HG2 GLN A 103 6.239 -16.503 6.150 1.00 34.24 H new ATOM 0 HG3 GLN A 103 7.202 -17.917 5.770 1.00 34.24 H new ATOM 0 HE21 GLN A 103 8.452 -18.479 7.438 1.00 33.03 H new ATOM 0 HE22 GLN A 103 9.343 -17.360 8.474 1.00 33.03 H new ATOM 1545 N SER A 104 7.097 -19.271 3.736 1.00 1.42 N ATOM 1546 CA SER A 104 7.612 -20.630 3.618 1.00 45.41 C ATOM 1547 C SER A 104 7.450 -21.150 2.193 1.00 71.00 C ATOM 1548 O SER A 104 8.023 -22.177 1.825 1.00 15.23 O ATOM 1549 CB SER A 104 6.892 -21.558 4.597 1.00 30.04 C ATOM 1550 OG SER A 104 7.525 -22.825 4.659 1.00 54.52 O ATOM 0 H SER A 104 6.256 -19.187 4.307 1.00 1.42 H new ATOM 0 HA SER A 104 8.674 -20.612 3.861 1.00 45.41 H new ATOM 0 HB2 SER A 104 6.879 -21.106 5.589 1.00 30.04 H new ATOM 0 HB3 SER A 104 5.854 -21.681 4.289 1.00 30.04 H new ATOM 0 HG SER A 104 7.882 -23.056 3.776 1.00 54.52 H new ATOM 1556 N LEU A 105 6.665 -20.435 1.395 1.00 44.43 N ATOM 1557 CA LEU A 105 6.426 -20.823 0.009 1.00 41.31 C ATOM 1558 C LEU A 105 7.155 -19.889 -0.952 1.00 24.12 C ATOM 1559 O LEU A 105 7.747 -20.333 -1.936 1.00 50.41 O ATOM 1560 CB LEU A 105 4.926 -20.813 -0.292 1.00 44.04 C ATOM 1561 CG LEU A 105 4.538 -20.886 -1.770 1.00 1.05 C ATOM 1562 CD1 LEU A 105 3.237 -21.654 -1.942 1.00 60.31 C ATOM 1563 CD2 LEU A 105 4.416 -19.488 -2.359 1.00 24.23 C ATOM 0 H LEU A 105 6.183 -19.584 1.684 1.00 44.43 H new ATOM 0 HA LEU A 105 6.813 -21.832 -0.132 1.00 41.31 H new ATOM 0 HB2 LEU A 105 4.466 -21.655 0.226 1.00 44.04 H new ATOM 0 HB3 LEU A 105 4.497 -19.905 0.131 1.00 44.04 H new ATOM 0 HG LEU A 105 5.324 -21.417 -2.307 1.00 1.05 H new ATOM 0 HD11 LEU A 105 2.976 -21.696 -3.000 1.00 60.31 H new ATOM 0 HD12 LEU A 105 3.359 -22.667 -1.558 1.00 60.31 H new ATOM 0 HD13 LEU A 105 2.442 -21.151 -1.392 1.00 60.31 H new ATOM 0 HD21 LEU A 105 4.139 -19.559 -3.411 1.00 24.23 H new ATOM 0 HD22 LEU A 105 3.650 -18.931 -1.819 1.00 24.23 H new ATOM 0 HD23 LEU A 105 5.371 -18.971 -2.269 1.00 24.23 H new ATOM 1575 N VAL A 106 7.111 -18.593 -0.658 1.00 72.40 N ATOM 1576 CA VAL A 106 7.770 -17.597 -1.494 1.00 1.14 C ATOM 1577 C VAL A 106 9.266 -17.870 -1.597 1.00 44.14 C ATOM 1578 O VAL A 106 9.832 -17.884 -2.691 1.00 1.41 O ATOM 1579 CB VAL A 106 7.556 -16.174 -0.945 1.00 11.23 C ATOM 1580 CG1 VAL A 106 8.123 -15.140 -1.905 1.00 51.25 C ATOM 1581 CG2 VAL A 106 6.078 -15.920 -0.686 1.00 45.32 C ATOM 0 H VAL A 106 6.626 -18.209 0.153 1.00 72.40 H new ATOM 0 HA VAL A 106 7.321 -17.668 -2.485 1.00 1.14 H new ATOM 0 HB VAL A 106 8.088 -16.085 0.002 1.00 11.23 H new ATOM 0 HG11 VAL A 106 7.962 -14.141 -1.500 1.00 51.25 H new ATOM 0 HG12 VAL A 106 9.192 -15.311 -2.035 1.00 51.25 H new ATOM 0 HG13 VAL A 106 7.622 -15.225 -2.869 1.00 51.25 H new ATOM 0 HG21 VAL A 106 5.945 -14.910 -0.298 1.00 45.32 H new ATOM 0 HG22 VAL A 106 5.522 -16.028 -1.617 1.00 45.32 H new ATOM 0 HG23 VAL A 106 5.707 -16.640 0.043 1.00 45.32 H new ATOM 1591 N LYS A 107 9.903 -18.087 -0.452 1.00 24.51 N ATOM 1592 CA LYS A 107 11.335 -18.362 -0.412 1.00 73.40 C ATOM 1593 C LYS A 107 11.668 -19.626 -1.198 1.00 62.23 C ATOM 1594 O LYS A 107 12.817 -19.846 -1.580 1.00 3.02 O ATOM 1595 CB LYS A 107 11.806 -18.511 1.036 1.00 3.23 C ATOM 1596 CG LYS A 107 11.488 -17.307 1.906 1.00 43.31 C ATOM 1597 CD LYS A 107 12.676 -16.365 2.010 1.00 40.32 C ATOM 1598 CE LYS A 107 13.797 -16.971 2.840 1.00 1.30 C ATOM 1599 NZ LYS A 107 14.828 -15.959 3.202 1.00 65.32 N ATOM 0 H LYS A 107 9.450 -18.078 0.462 1.00 24.51 H new ATOM 0 HA LYS A 107 11.854 -17.521 -0.872 1.00 73.40 H new ATOM 0 HB2 LYS A 107 11.342 -19.396 1.471 1.00 3.23 H new ATOM 0 HB3 LYS A 107 12.883 -18.680 1.043 1.00 3.23 H new ATOM 0 HG2 LYS A 107 10.634 -16.772 1.491 1.00 43.31 H new ATOM 0 HG3 LYS A 107 11.200 -17.643 2.902 1.00 43.31 H new ATOM 0 HD2 LYS A 107 13.046 -16.133 1.011 1.00 40.32 H new ATOM 0 HD3 LYS A 107 12.357 -15.424 2.459 1.00 40.32 H new ATOM 0 HE2 LYS A 107 13.381 -17.407 3.748 1.00 1.30 H new ATOM 0 HE3 LYS A 107 14.264 -17.782 2.282 1.00 1.30 H new ATOM 0 HZ1 LYS A 107 15.726 -16.195 2.732 1.00 65.32 H new ATOM 0 HZ2 LYS A 107 14.513 -15.017 2.894 1.00 65.32 H new ATOM 0 HZ3 LYS A 107 14.966 -15.958 4.233 1.00 65.32 H new ATOM 1613 N ALA A 108 10.656 -20.453 -1.438 1.00 54.22 N ATOM 1614 CA ALA A 108 10.841 -21.692 -2.182 1.00 62.52 C ATOM 1615 C ALA A 108 10.730 -21.453 -3.684 1.00 62.21 C ATOM 1616 O ALA A 108 9.649 -21.569 -4.262 1.00 51.34 O ATOM 1617 CB ALA A 108 9.826 -22.733 -1.735 1.00 75.41 C ATOM 0 H ALA A 108 9.699 -20.287 -1.127 1.00 54.22 H new ATOM 0 HA ALA A 108 11.844 -22.065 -1.973 1.00 62.52 H new ATOM 0 HB1 ALA A 108 9.976 -23.653 -2.299 1.00 75.41 H new ATOM 0 HB2 ALA A 108 9.955 -22.934 -0.672 1.00 75.41 H new ATOM 0 HB3 ALA A 108 8.818 -22.358 -1.913 1.00 75.41 H new TER 1623 ALA A 108