USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 26 THR OG1 : rot 180:sc= 0.879 USER MOD Set 1.2: A 29 SER OG : rot 74:sc= 1.06 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0827 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0114) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -128:sc= 0.409 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 0.0605 (180deg=-0.633) USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= -0.233 (180deg=-2.26!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0562) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.905 USER MOD Single : A 46 MET CE :methyl -129:sc=-0.00561 (180deg=-0.266) USER MOD Single : A 47 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= -0.422 (180deg=-1.68!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-1.6e-05 USER MOD Single : A 68 GLN : amide:sc= -3.92! K(o=-3.9!,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.5!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= -1.27 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.307 -3.231 9.089 1.00 0.00 N ATOM 2 CA ALA A 1 -6.794 -4.148 8.078 1.00 71.14 C ATOM 3 C ALA A 1 -6.288 -5.439 8.714 1.00 15.50 C ATOM 4 O ALA A 1 -6.101 -5.513 9.928 1.00 30.11 O ATOM 5 CB ALA A 1 -5.687 -3.482 7.276 1.00 41.41 C ATOM 0 H1 ALA A 1 -8.332 -3.109 8.959 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.121 -3.619 10.036 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.834 -2.310 8.994 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.612 -4.403 7.404 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.313 -4.178 6.525 1.00 41.41 H new ATOM 0 HB2 ALA A 1 -6.079 -2.592 6.783 1.00 41.41 H new ATOM 0 HB3 ALA A 1 -4.874 -3.198 7.944 1.00 41.41 H new ATOM 11 N LYS A 2 -6.067 -6.453 7.884 1.00 23.35 N ATOM 12 CA LYS A 2 -5.581 -7.742 8.365 1.00 73.05 C ATOM 13 C LYS A 2 -4.169 -8.014 7.857 1.00 30.31 C ATOM 14 O LYS A 2 -3.741 -7.451 6.849 1.00 71.23 O ATOM 15 CB LYS A 2 -6.521 -8.863 7.916 1.00 25.03 C ATOM 16 CG LYS A 2 -6.921 -8.774 6.453 1.00 2.34 C ATOM 17 CD LYS A 2 -8.311 -8.184 6.291 1.00 0.21 C ATOM 18 CE LYS A 2 -9.390 -9.242 6.466 1.00 31.22 C ATOM 19 NZ LYS A 2 -9.527 -10.100 5.257 1.00 21.43 N ATOM 0 H LYS A 2 -6.216 -6.408 6.876 1.00 23.35 H new ATOM 0 HA LYS A 2 -5.557 -7.711 9.454 1.00 73.05 H new ATOM 0 HB2 LYS A 2 -6.038 -9.824 8.094 1.00 25.03 H new ATOM 0 HB3 LYS A 2 -7.420 -8.840 8.532 1.00 25.03 H new ATOM 0 HG2 LYS A 2 -6.199 -8.160 5.914 1.00 2.34 H new ATOM 0 HG3 LYS A 2 -6.892 -9.768 6.006 1.00 2.34 H new ATOM 0 HD2 LYS A 2 -8.457 -7.389 7.022 1.00 0.21 H new ATOM 0 HD3 LYS A 2 -8.402 -7.730 5.304 1.00 0.21 H new ATOM 0 HE2 LYS A 2 -9.151 -9.865 7.328 1.00 31.22 H new ATOM 0 HE3 LYS A 2 -10.343 -8.757 6.677 1.00 31.22 H new ATOM 0 HZ1 LYS A 2 -10.306 -10.775 5.397 1.00 21.43 H new ATOM 0 HZ2 LYS A 2 -9.730 -9.504 4.429 1.00 21.43 H new ATOM 0 HZ3 LYS A 2 -8.641 -10.622 5.099 1.00 21.43 H new ATOM 33 N LYS A 3 -3.449 -8.881 8.560 1.00 20.33 N ATOM 34 CA LYS A 3 -2.085 -9.231 8.181 1.00 73.52 C ATOM 35 C LYS A 3 -2.021 -9.656 6.717 1.00 42.41 C ATOM 36 O LYS A 3 -1.018 -9.432 6.041 1.00 44.33 O ATOM 37 CB LYS A 3 -1.558 -10.357 9.074 1.00 54.34 C ATOM 38 CG LYS A 3 -2.474 -11.567 9.131 1.00 61.13 C ATOM 39 CD LYS A 3 -2.990 -11.810 10.539 1.00 13.43 C ATOM 40 CE LYS A 3 -2.102 -12.785 11.297 1.00 61.21 C ATOM 41 NZ LYS A 3 -2.711 -13.198 12.592 1.00 73.33 N ATOM 0 H LYS A 3 -3.788 -9.355 9.397 1.00 20.33 H new ATOM 0 HA LYS A 3 -1.459 -8.349 8.313 1.00 73.52 H new ATOM 0 HB2 LYS A 3 -0.579 -10.670 8.711 1.00 54.34 H new ATOM 0 HB3 LYS A 3 -1.415 -9.972 10.084 1.00 54.34 H new ATOM 0 HG2 LYS A 3 -3.316 -11.419 8.455 1.00 61.13 H new ATOM 0 HG3 LYS A 3 -1.936 -12.449 8.783 1.00 61.13 H new ATOM 0 HD2 LYS A 3 -3.037 -10.864 11.079 1.00 13.43 H new ATOM 0 HD3 LYS A 3 -4.006 -12.202 10.493 1.00 13.43 H new ATOM 0 HE2 LYS A 3 -1.923 -13.667 10.682 1.00 61.21 H new ATOM 0 HE3 LYS A 3 -1.132 -12.324 11.482 1.00 61.21 H new ATOM 0 HZ1 LYS A 3 -2.076 -13.862 13.078 1.00 73.33 H new ATOM 0 HZ2 LYS A 3 -2.858 -12.360 13.189 1.00 73.33 H new ATOM 0 HZ3 LYS A 3 -3.625 -13.661 12.414 1.00 73.33 H new ATOM 55 N GLU A 4 -3.098 -10.269 6.236 1.00 51.34 N ATOM 56 CA GLU A 4 -3.162 -10.724 4.852 1.00 43.24 C ATOM 57 C GLU A 4 -3.185 -9.540 3.890 1.00 13.41 C ATOM 58 O GLU A 4 -2.480 -9.531 2.879 1.00 72.02 O ATOM 59 CB GLU A 4 -4.401 -11.595 4.634 1.00 50.02 C ATOM 60 CG GLU A 4 -4.182 -13.060 4.970 1.00 2.13 C ATOM 61 CD GLU A 4 -3.893 -13.284 6.442 1.00 44.30 C ATOM 62 OE1 GLU A 4 -4.854 -13.308 7.238 1.00 14.11 O ATOM 63 OE2 GLU A 4 -2.706 -13.435 6.798 1.00 64.10 O ATOM 0 H GLU A 4 -3.937 -10.462 6.783 1.00 51.34 H new ATOM 0 HA GLU A 4 -2.270 -11.317 4.651 1.00 43.24 H new ATOM 0 HB2 GLU A 4 -5.218 -11.209 5.244 1.00 50.02 H new ATOM 0 HB3 GLU A 4 -4.714 -11.513 3.593 1.00 50.02 H new ATOM 0 HG2 GLU A 4 -5.067 -13.630 4.686 1.00 2.13 H new ATOM 0 HG3 GLU A 4 -3.352 -13.445 4.378 1.00 2.13 H new ATOM 70 N THR A 5 -4.000 -8.540 4.211 1.00 54.33 N ATOM 71 CA THR A 5 -4.116 -7.351 3.375 1.00 15.11 C ATOM 72 C THR A 5 -2.793 -6.599 3.301 1.00 62.22 C ATOM 73 O THR A 5 -2.422 -6.080 2.248 1.00 50.33 O ATOM 74 CB THR A 5 -5.206 -6.398 3.904 1.00 45.13 C ATOM 75 OG1 THR A 5 -6.473 -7.064 3.920 1.00 22.11 O ATOM 76 CG2 THR A 5 -5.296 -5.148 3.042 1.00 12.50 C ATOM 0 H THR A 5 -4.589 -8.530 5.043 1.00 54.33 H new ATOM 0 HA THR A 5 -4.393 -7.692 2.377 1.00 15.11 H new ATOM 0 HB THR A 5 -4.938 -6.103 4.918 1.00 45.13 H new ATOM 0 HG1 THR A 5 -7.136 -6.517 3.450 1.00 22.11 H new ATOM 0 HG21 THR A 5 -6.072 -4.490 3.434 1.00 12.50 H new ATOM 0 HG22 THR A 5 -4.338 -4.627 3.055 1.00 12.50 H new ATOM 0 HG23 THR A 5 -5.542 -5.429 2.018 1.00 12.50 H new ATOM 84 N ILE A 6 -2.084 -6.545 4.424 1.00 41.04 N ATOM 85 CA ILE A 6 -0.800 -5.858 4.483 1.00 10.15 C ATOM 86 C ILE A 6 0.214 -6.505 3.546 1.00 40.10 C ATOM 87 O ILE A 6 1.036 -5.821 2.937 1.00 54.33 O ATOM 88 CB ILE A 6 -0.231 -5.854 5.915 1.00 43.33 C ATOM 89 CG1 ILE A 6 -1.197 -5.151 6.869 1.00 1.55 C ATOM 90 CG2 ILE A 6 1.133 -5.179 5.940 1.00 74.35 C ATOM 91 CD1 ILE A 6 -1.107 -5.650 8.295 1.00 15.24 C ATOM 0 H ILE A 6 -2.377 -6.969 5.304 1.00 41.04 H new ATOM 0 HA ILE A 6 -0.976 -4.830 4.167 1.00 10.15 H new ATOM 0 HB ILE A 6 -0.111 -6.886 6.246 1.00 43.33 H new ATOM 0 HG12 ILE A 6 -0.995 -4.080 6.854 1.00 1.55 H new ATOM 0 HG13 ILE A 6 -2.216 -5.288 6.508 1.00 1.55 H new ATOM 0 HG21 ILE A 6 1.523 -5.184 6.958 1.00 74.35 H new ATOM 0 HG22 ILE A 6 1.818 -5.719 5.287 1.00 74.35 H new ATOM 0 HG23 ILE A 6 1.036 -4.150 5.593 1.00 74.35 H new ATOM 0 HD11 ILE A 6 -1.820 -5.107 8.916 1.00 15.24 H new ATOM 0 HD12 ILE A 6 -1.338 -6.715 8.323 1.00 15.24 H new ATOM 0 HD13 ILE A 6 -0.098 -5.488 8.674 1.00 15.24 H new ATOM 103 N ASP A 7 0.148 -7.827 3.435 1.00 10.32 N ATOM 104 CA ASP A 7 1.059 -8.567 2.569 1.00 13.12 C ATOM 105 C ASP A 7 0.807 -8.234 1.102 1.00 75.01 C ATOM 106 O ASP A 7 1.742 -8.114 0.311 1.00 22.11 O ATOM 107 CB ASP A 7 0.903 -10.072 2.797 1.00 3.25 C ATOM 108 CG ASP A 7 1.911 -10.884 2.007 1.00 1.23 C ATOM 109 OD1 ASP A 7 3.121 -10.773 2.297 1.00 70.34 O ATOM 110 OD2 ASP A 7 1.489 -11.631 1.099 1.00 3.14 O ATOM 0 H ASP A 7 -0.526 -8.408 3.933 1.00 10.32 H new ATOM 0 HA ASP A 7 2.078 -8.272 2.819 1.00 13.12 H new ATOM 0 HB2 ASP A 7 1.017 -10.290 3.859 1.00 3.25 H new ATOM 0 HB3 ASP A 7 -0.105 -10.377 2.516 1.00 3.25 H new ATOM 115 N LYS A 8 -0.465 -8.085 0.745 1.00 63.02 N ATOM 116 CA LYS A 8 -0.843 -7.765 -0.627 1.00 24.44 C ATOM 117 C LYS A 8 -0.255 -6.424 -1.053 1.00 53.22 C ATOM 118 O LYS A 8 0.438 -6.333 -2.067 1.00 45.00 O ATOM 119 CB LYS A 8 -2.367 -7.733 -0.763 1.00 11.33 C ATOM 120 CG LYS A 8 -3.059 -8.928 -0.132 1.00 2.01 C ATOM 121 CD LYS A 8 -4.332 -9.293 -0.877 1.00 52.32 C ATOM 122 CE LYS A 8 -4.026 -9.939 -2.219 1.00 52.42 C ATOM 123 NZ LYS A 8 -5.258 -10.445 -2.885 1.00 74.13 N ATOM 0 H LYS A 8 -1.252 -8.181 1.387 1.00 63.02 H new ATOM 0 HA LYS A 8 -0.443 -8.541 -1.279 1.00 24.44 H new ATOM 0 HB2 LYS A 8 -2.745 -6.820 -0.303 1.00 11.33 H new ATOM 0 HB3 LYS A 8 -2.628 -7.689 -1.820 1.00 11.33 H new ATOM 0 HG2 LYS A 8 -2.381 -9.782 -0.128 1.00 2.01 H new ATOM 0 HG3 LYS A 8 -3.296 -8.705 0.908 1.00 2.01 H new ATOM 0 HD2 LYS A 8 -4.927 -9.976 -0.270 1.00 52.32 H new ATOM 0 HD3 LYS A 8 -4.934 -8.397 -1.032 1.00 52.32 H new ATOM 0 HE2 LYS A 8 -3.534 -9.214 -2.867 1.00 52.42 H new ATOM 0 HE3 LYS A 8 -3.327 -10.763 -2.075 1.00 52.42 H new ATOM 0 HZ1 LYS A 8 -5.007 -10.878 -3.797 1.00 74.13 H new ATOM 0 HZ2 LYS A 8 -5.714 -11.156 -2.278 1.00 74.13 H new ATOM 0 HZ3 LYS A 8 -5.915 -9.655 -3.046 1.00 74.13 H new ATOM 137 N VAL A 9 -0.537 -5.384 -0.274 1.00 42.31 N ATOM 138 CA VAL A 9 -0.033 -4.048 -0.570 1.00 11.21 C ATOM 139 C VAL A 9 1.491 -4.028 -0.598 1.00 63.24 C ATOM 140 O VAL A 9 2.098 -3.620 -1.588 1.00 40.20 O ATOM 141 CB VAL A 9 -0.530 -3.020 0.462 1.00 13.14 C ATOM 142 CG1 VAL A 9 -0.162 -1.608 0.030 1.00 5.34 C ATOM 143 CG2 VAL A 9 -2.033 -3.149 0.663 1.00 4.40 C ATOM 0 H VAL A 9 -1.112 -5.441 0.567 1.00 42.31 H new ATOM 0 HA VAL A 9 -0.414 -3.777 -1.555 1.00 11.21 H new ATOM 0 HB VAL A 9 -0.040 -3.223 1.414 1.00 13.14 H new ATOM 0 HG11 VAL A 9 -0.522 -0.895 0.772 1.00 5.34 H new ATOM 0 HG12 VAL A 9 0.921 -1.525 -0.058 1.00 5.34 H new ATOM 0 HG13 VAL A 9 -0.622 -1.391 -0.934 1.00 5.34 H new ATOM 0 HG21 VAL A 9 -2.366 -2.414 1.396 1.00 4.40 H new ATOM 0 HG22 VAL A 9 -2.543 -2.974 -0.284 1.00 4.40 H new ATOM 0 HG23 VAL A 9 -2.267 -4.151 1.021 1.00 4.40 H new ATOM 153 N SER A 10 2.103 -4.473 0.494 1.00 44.13 N ATOM 154 CA SER A 10 3.558 -4.503 0.597 1.00 61.44 C ATOM 155 C SER A 10 4.167 -5.282 -0.565 1.00 24.20 C ATOM 156 O SER A 10 5.252 -4.954 -1.046 1.00 13.10 O ATOM 157 CB SER A 10 3.983 -5.132 1.925 1.00 15.23 C ATOM 158 OG SER A 10 4.252 -6.514 1.774 1.00 74.14 O ATOM 0 H SER A 10 1.615 -4.818 1.320 1.00 44.13 H new ATOM 0 HA SER A 10 3.923 -3.477 0.556 1.00 61.44 H new ATOM 0 HB2 SER A 10 4.871 -4.625 2.303 1.00 15.23 H new ATOM 0 HB3 SER A 10 3.196 -4.991 2.666 1.00 15.23 H new ATOM 0 HG SER A 10 4.523 -6.891 2.637 1.00 74.14 H new ATOM 164 N ASP A 11 3.463 -6.317 -1.010 1.00 52.44 N ATOM 165 CA ASP A 11 3.932 -7.143 -2.117 1.00 4.44 C ATOM 166 C ASP A 11 4.063 -6.319 -3.393 1.00 52.21 C ATOM 167 O ASP A 11 5.031 -6.462 -4.140 1.00 2.01 O ATOM 168 CB ASP A 11 2.979 -8.316 -2.346 1.00 42.33 C ATOM 169 CG ASP A 11 3.398 -9.560 -1.589 1.00 64.10 C ATOM 170 OD1 ASP A 11 4.619 -9.788 -1.452 1.00 73.22 O ATOM 171 OD2 ASP A 11 2.506 -10.307 -1.132 1.00 54.22 O ATOM 0 H ASP A 11 2.565 -6.604 -0.621 1.00 52.44 H new ATOM 0 HA ASP A 11 4.916 -7.532 -1.856 1.00 4.44 H new ATOM 0 HB2 ASP A 11 1.974 -8.029 -2.038 1.00 42.33 H new ATOM 0 HB3 ASP A 11 2.934 -8.541 -3.412 1.00 42.33 H new ATOM 176 N ILE A 12 3.081 -5.457 -3.638 1.00 64.33 N ATOM 177 CA ILE A 12 3.086 -4.611 -4.825 1.00 20.23 C ATOM 178 C ILE A 12 4.045 -3.438 -4.658 1.00 53.45 C ATOM 179 O ILE A 12 4.819 -3.122 -5.563 1.00 1.32 O ATOM 180 CB ILE A 12 1.678 -4.069 -5.136 1.00 4.42 C ATOM 181 CG1 ILE A 12 0.698 -5.225 -5.348 1.00 12.21 C ATOM 182 CG2 ILE A 12 1.716 -3.168 -6.361 1.00 2.25 C ATOM 183 CD1 ILE A 12 -0.636 -5.019 -4.666 1.00 13.33 C ATOM 0 H ILE A 12 2.272 -5.326 -3.030 1.00 64.33 H new ATOM 0 HA ILE A 12 3.418 -5.234 -5.656 1.00 20.23 H new ATOM 0 HB ILE A 12 1.336 -3.479 -4.286 1.00 4.42 H new ATOM 0 HG12 ILE A 12 0.533 -5.360 -6.417 1.00 12.21 H new ATOM 0 HG13 ILE A 12 1.149 -6.145 -4.976 1.00 12.21 H new ATOM 0 HG21 ILE A 12 0.714 -2.793 -6.568 1.00 2.25 H new ATOM 0 HG22 ILE A 12 2.386 -2.329 -6.175 1.00 2.25 H new ATOM 0 HG23 ILE A 12 2.075 -3.736 -7.219 1.00 2.25 H new ATOM 0 HD11 ILE A 12 -1.280 -5.877 -4.859 1.00 13.33 H new ATOM 0 HD12 ILE A 12 -0.483 -4.914 -3.592 1.00 13.33 H new ATOM 0 HD13 ILE A 12 -1.108 -4.117 -5.055 1.00 13.33 H new ATOM 195 N VAL A 13 3.991 -2.796 -3.496 1.00 34.31 N ATOM 196 CA VAL A 13 4.856 -1.659 -3.210 1.00 1.44 C ATOM 197 C VAL A 13 6.326 -2.041 -3.339 1.00 45.35 C ATOM 198 O VAL A 13 7.065 -1.453 -4.130 1.00 50.22 O ATOM 199 CB VAL A 13 4.605 -1.104 -1.795 1.00 11.44 C ATOM 200 CG1 VAL A 13 5.399 0.174 -1.573 1.00 44.44 C ATOM 201 CG2 VAL A 13 3.119 -0.862 -1.574 1.00 51.13 C ATOM 0 H VAL A 13 3.357 -3.044 -2.737 1.00 34.31 H new ATOM 0 HA VAL A 13 4.617 -0.888 -3.943 1.00 1.44 H new ATOM 0 HB VAL A 13 4.942 -1.844 -1.069 1.00 11.44 H new ATOM 0 HG11 VAL A 13 5.209 0.551 -0.568 1.00 44.44 H new ATOM 0 HG12 VAL A 13 6.463 -0.034 -1.687 1.00 44.44 H new ATOM 0 HG13 VAL A 13 5.095 0.923 -2.305 1.00 44.44 H new ATOM 0 HG21 VAL A 13 2.960 -0.470 -0.569 1.00 51.13 H new ATOM 0 HG22 VAL A 13 2.755 -0.142 -2.307 1.00 51.13 H new ATOM 0 HG23 VAL A 13 2.577 -1.801 -1.687 1.00 51.13 H new ATOM 211 N LYS A 14 6.746 -3.030 -2.558 1.00 64.34 N ATOM 212 CA LYS A 14 8.128 -3.494 -2.586 1.00 61.31 C ATOM 213 C LYS A 14 8.549 -3.864 -4.005 1.00 2.04 C ATOM 214 O LYS A 14 9.715 -3.718 -4.373 1.00 22.32 O ATOM 215 CB LYS A 14 8.301 -4.700 -1.660 1.00 60.43 C ATOM 216 CG LYS A 14 7.711 -5.985 -2.217 1.00 74.25 C ATOM 217 CD LYS A 14 7.440 -6.998 -1.117 1.00 1.40 C ATOM 218 CE LYS A 14 8.733 -7.523 -0.513 1.00 3.32 C ATOM 219 NZ LYS A 14 9.159 -8.804 -1.142 1.00 73.12 N ATOM 0 H LYS A 14 6.148 -3.526 -1.897 1.00 64.34 H new ATOM 0 HA LYS A 14 8.765 -2.681 -2.237 1.00 61.31 H new ATOM 0 HB2 LYS A 14 9.363 -4.851 -1.469 1.00 60.43 H new ATOM 0 HB3 LYS A 14 7.832 -4.481 -0.701 1.00 60.43 H new ATOM 0 HG2 LYS A 14 6.783 -5.762 -2.744 1.00 74.25 H new ATOM 0 HG3 LYS A 14 8.397 -6.415 -2.947 1.00 74.25 H new ATOM 0 HD2 LYS A 14 6.834 -6.537 -0.337 1.00 1.40 H new ATOM 0 HD3 LYS A 14 6.862 -7.829 -1.521 1.00 1.40 H new ATOM 0 HE2 LYS A 14 9.520 -6.779 -0.636 1.00 3.32 H new ATOM 0 HE3 LYS A 14 8.599 -7.671 0.559 1.00 3.32 H new ATOM 0 HZ1 LYS A 14 10.197 -8.860 -1.146 1.00 73.12 H new ATOM 0 HZ2 LYS A 14 8.771 -9.603 -0.600 1.00 73.12 H new ATOM 0 HZ3 LYS A 14 8.806 -8.845 -2.120 1.00 73.12 H new ATOM 233 N GLU A 15 7.594 -4.342 -4.796 1.00 22.42 N ATOM 234 CA GLU A 15 7.868 -4.732 -6.173 1.00 43.33 C ATOM 235 C GLU A 15 8.213 -3.513 -7.025 1.00 73.22 C ATOM 236 O GLU A 15 8.963 -3.612 -7.997 1.00 33.12 O ATOM 237 CB GLU A 15 6.662 -5.460 -6.771 1.00 23.02 C ATOM 238 CG GLU A 15 6.919 -6.028 -8.157 1.00 23.43 C ATOM 239 CD GLU A 15 5.855 -7.020 -8.586 1.00 2.21 C ATOM 240 OE1 GLU A 15 5.929 -8.191 -8.160 1.00 63.44 O ATOM 241 OE2 GLU A 15 4.950 -6.624 -9.349 1.00 52.23 O ATOM 0 H GLU A 15 6.624 -4.468 -4.507 1.00 22.42 H new ATOM 0 HA GLU A 15 8.725 -5.406 -6.169 1.00 43.33 H new ATOM 0 HB2 GLU A 15 6.370 -6.271 -6.104 1.00 23.02 H new ATOM 0 HB3 GLU A 15 5.820 -4.770 -6.821 1.00 23.02 H new ATOM 0 HG2 GLU A 15 6.962 -5.212 -8.878 1.00 23.43 H new ATOM 0 HG3 GLU A 15 7.893 -6.517 -8.171 1.00 23.43 H new ATOM 248 N LYS A 16 7.660 -2.364 -6.654 1.00 33.12 N ATOM 249 CA LYS A 16 7.907 -1.124 -7.381 1.00 63.14 C ATOM 250 C LYS A 16 9.225 -0.493 -6.945 1.00 15.41 C ATOM 251 O LYS A 16 9.837 0.271 -7.694 1.00 64.45 O ATOM 252 CB LYS A 16 6.758 -0.140 -7.157 1.00 54.41 C ATOM 253 CG LYS A 16 5.403 -0.680 -7.578 1.00 73.31 C ATOM 254 CD LYS A 16 5.180 -0.526 -9.073 1.00 44.21 C ATOM 255 CE LYS A 16 4.970 0.931 -9.458 1.00 71.45 C ATOM 256 NZ LYS A 16 5.685 1.280 -10.716 1.00 53.24 N ATOM 0 H LYS A 16 7.037 -2.265 -5.853 1.00 33.12 H new ATOM 0 HA LYS A 16 7.971 -1.360 -8.443 1.00 63.14 H new ATOM 0 HB2 LYS A 16 6.721 0.127 -6.101 1.00 54.41 H new ATOM 0 HB3 LYS A 16 6.962 0.776 -7.711 1.00 54.41 H new ATOM 0 HG2 LYS A 16 5.329 -1.733 -7.305 1.00 73.31 H new ATOM 0 HG3 LYS A 16 4.617 -0.154 -7.036 1.00 73.31 H new ATOM 0 HD2 LYS A 16 6.038 -0.926 -9.613 1.00 44.21 H new ATOM 0 HD3 LYS A 16 4.312 -1.112 -9.375 1.00 44.21 H new ATOM 0 HE2 LYS A 16 3.904 1.124 -9.580 1.00 71.45 H new ATOM 0 HE3 LYS A 16 5.320 1.574 -8.651 1.00 71.45 H new ATOM 0 HZ1 LYS A 16 6.270 2.126 -10.560 1.00 53.24 H new ATOM 0 HZ2 LYS A 16 6.293 0.486 -11.001 1.00 53.24 H new ATOM 0 HZ3 LYS A 16 4.992 1.473 -11.467 1.00 53.24 H new ATOM 270 N LEU A 17 9.658 -0.814 -5.732 1.00 24.00 N ATOM 271 CA LEU A 17 10.905 -0.279 -5.196 1.00 40.15 C ATOM 272 C LEU A 17 12.054 -1.259 -5.410 1.00 24.31 C ATOM 273 O LEU A 17 13.221 -0.910 -5.237 1.00 15.51 O ATOM 274 CB LEU A 17 10.752 0.029 -3.706 1.00 3.31 C ATOM 275 CG LEU A 17 9.475 0.765 -3.300 1.00 31.22 C ATOM 276 CD1 LEU A 17 9.392 0.896 -1.788 1.00 24.05 C ATOM 277 CD2 LEU A 17 9.416 2.135 -3.960 1.00 43.01 C ATOM 0 H LEU A 17 9.164 -1.443 -5.099 1.00 24.00 H new ATOM 0 HA LEU A 17 11.135 0.644 -5.729 1.00 40.15 H new ATOM 0 HB2 LEU A 17 10.797 -0.910 -3.155 1.00 3.31 H new ATOM 0 HB3 LEU A 17 11.608 0.625 -3.389 1.00 3.31 H new ATOM 0 HG LEU A 17 8.619 0.182 -3.641 1.00 31.22 H new ATOM 0 HD11 LEU A 17 8.477 1.422 -1.518 1.00 24.05 H new ATOM 0 HD12 LEU A 17 9.387 -0.096 -1.337 1.00 24.05 H new ATOM 0 HD13 LEU A 17 10.253 1.456 -1.423 1.00 24.05 H new ATOM 0 HD21 LEU A 17 8.500 2.644 -3.660 1.00 43.01 H new ATOM 0 HD22 LEU A 17 10.278 2.726 -3.650 1.00 43.01 H new ATOM 0 HD23 LEU A 17 9.427 2.018 -5.044 1.00 43.01 H new ATOM 289 N ALA A 18 11.716 -2.487 -5.788 1.00 74.55 N ATOM 290 CA ALA A 18 12.719 -3.517 -6.029 1.00 73.31 C ATOM 291 C ALA A 18 12.070 -4.821 -6.480 1.00 74.44 C ATOM 292 O ALA A 18 10.871 -4.866 -6.760 1.00 54.23 O ATOM 293 CB ALA A 18 13.552 -3.746 -4.777 1.00 40.11 C ATOM 0 H ALA A 18 10.754 -2.793 -5.934 1.00 74.55 H new ATOM 0 HA ALA A 18 13.373 -3.171 -6.829 1.00 73.31 H new ATOM 0 HB1 ALA A 18 14.297 -4.518 -4.972 1.00 40.11 H new ATOM 0 HB2 ALA A 18 14.054 -2.819 -4.499 1.00 40.11 H new ATOM 0 HB3 ALA A 18 12.903 -4.066 -3.962 1.00 40.11 H new ATOM 299 N LEU A 19 12.868 -5.881 -6.549 1.00 73.22 N ATOM 300 CA LEU A 19 12.371 -7.187 -6.968 1.00 11.32 C ATOM 301 C LEU A 19 11.709 -7.917 -5.802 1.00 44.41 C ATOM 302 O LEU A 19 10.889 -8.811 -6.003 1.00 24.15 O ATOM 303 CB LEU A 19 13.514 -8.033 -7.531 1.00 12.12 C ATOM 304 CG LEU A 19 14.401 -7.352 -8.575 1.00 65.31 C ATOM 305 CD1 LEU A 19 15.608 -8.220 -8.896 1.00 42.24 C ATOM 306 CD2 LEU A 19 13.606 -7.052 -9.836 1.00 44.24 C ATOM 0 H LEU A 19 13.862 -5.862 -6.320 1.00 73.22 H new ATOM 0 HA LEU A 19 11.625 -7.032 -7.747 1.00 11.32 H new ATOM 0 HB2 LEU A 19 14.144 -8.354 -6.702 1.00 12.12 H new ATOM 0 HB3 LEU A 19 13.089 -8.933 -7.976 1.00 12.12 H new ATOM 0 HG LEU A 19 14.757 -6.408 -8.162 1.00 65.31 H new ATOM 0 HD11 LEU A 19 16.228 -7.720 -9.640 1.00 42.24 H new ATOM 0 HD12 LEU A 19 16.190 -8.383 -7.989 1.00 42.24 H new ATOM 0 HD13 LEU A 19 15.272 -9.180 -9.289 1.00 42.24 H new ATOM 0 HD21 LEU A 19 14.253 -6.568 -10.567 1.00 44.24 H new ATOM 0 HD22 LEU A 19 13.220 -7.982 -10.253 1.00 44.24 H new ATOM 0 HD23 LEU A 19 12.774 -6.391 -9.593 1.00 44.24 H new ATOM 318 N GLY A 20 12.072 -7.526 -4.584 1.00 71.44 N ATOM 319 CA GLY A 20 11.503 -8.152 -3.405 1.00 13.22 C ATOM 320 C GLY A 20 12.319 -9.335 -2.925 1.00 62.04 C ATOM 321 O GLY A 20 12.170 -9.781 -1.788 1.00 54.11 O ATOM 0 H GLY A 20 12.749 -6.788 -4.393 1.00 71.44 H new ATOM 0 HA2 GLY A 20 11.432 -7.415 -2.605 1.00 13.22 H new ATOM 0 HA3 GLY A 20 10.488 -8.481 -3.626 1.00 13.22 H new ATOM 325 N ALA A 21 13.185 -9.846 -3.795 1.00 70.31 N ATOM 326 CA ALA A 21 14.028 -10.985 -3.454 1.00 11.14 C ATOM 327 C ALA A 21 14.895 -10.682 -2.237 1.00 12.24 C ATOM 328 O ALA A 21 14.769 -11.328 -1.196 1.00 70.11 O ATOM 329 CB ALA A 21 14.900 -11.371 -4.640 1.00 74.23 C ATOM 0 H ALA A 21 13.321 -9.489 -4.741 1.00 70.31 H new ATOM 0 HA ALA A 21 13.378 -11.824 -3.206 1.00 11.14 H new ATOM 0 HB1 ALA A 21 15.524 -12.223 -4.371 1.00 74.23 H new ATOM 0 HB2 ALA A 21 14.266 -11.638 -5.486 1.00 74.23 H new ATOM 0 HB3 ALA A 21 15.535 -10.528 -4.914 1.00 74.23 H new ATOM 335 N ASP A 22 15.774 -9.694 -2.373 1.00 34.31 N ATOM 336 CA ASP A 22 16.661 -9.304 -1.283 1.00 62.22 C ATOM 337 C ASP A 22 16.072 -8.141 -0.493 1.00 13.35 C ATOM 338 O ASP A 22 16.760 -7.508 0.308 1.00 3.12 O ATOM 339 CB ASP A 22 18.037 -8.922 -1.830 1.00 13.55 C ATOM 340 CG ASP A 22 18.720 -10.075 -2.535 1.00 44.34 C ATOM 341 OD1 ASP A 22 19.418 -10.856 -1.856 1.00 42.10 O ATOM 342 OD2 ASP A 22 18.559 -10.198 -3.768 1.00 41.52 O ATOM 0 H ASP A 22 15.891 -9.149 -3.227 1.00 34.31 H new ATOM 0 HA ASP A 22 16.769 -10.156 -0.612 1.00 62.22 H new ATOM 0 HB2 ASP A 22 17.930 -8.088 -2.524 1.00 13.55 H new ATOM 0 HB3 ASP A 22 18.667 -8.576 -1.011 1.00 13.55 H new ATOM 347 N VAL A 23 14.792 -7.861 -0.724 1.00 43.12 N ATOM 348 CA VAL A 23 14.110 -6.773 -0.035 1.00 20.44 C ATOM 349 C VAL A 23 12.890 -7.283 0.723 1.00 33.22 C ATOM 350 O VAL A 23 12.026 -7.950 0.154 1.00 61.31 O ATOM 351 CB VAL A 23 13.668 -5.674 -1.019 1.00 11.14 C ATOM 352 CG1 VAL A 23 12.948 -4.555 -0.282 1.00 3.03 C ATOM 353 CG2 VAL A 23 14.866 -5.134 -1.786 1.00 71.43 C ATOM 0 H VAL A 23 14.207 -8.374 -1.384 1.00 43.12 H new ATOM 0 HA VAL A 23 14.823 -6.350 0.672 1.00 20.44 H new ATOM 0 HB VAL A 23 12.972 -6.110 -1.736 1.00 11.14 H new ATOM 0 HG11 VAL A 23 12.643 -3.788 -0.994 1.00 3.03 H new ATOM 0 HG12 VAL A 23 12.067 -4.957 0.218 1.00 3.03 H new ATOM 0 HG13 VAL A 23 13.617 -4.118 0.459 1.00 3.03 H new ATOM 0 HG21 VAL A 23 14.536 -4.358 -2.477 1.00 71.43 H new ATOM 0 HG22 VAL A 23 15.587 -4.713 -1.085 1.00 71.43 H new ATOM 0 HG23 VAL A 23 15.334 -5.943 -2.346 1.00 71.43 H new ATOM 363 N VAL A 24 12.823 -6.963 2.012 1.00 53.22 N ATOM 364 CA VAL A 24 11.707 -7.386 2.848 1.00 32.54 C ATOM 365 C VAL A 24 10.961 -6.186 3.419 1.00 31.44 C ATOM 366 O VAL A 24 11.559 -5.308 4.041 1.00 12.30 O ATOM 367 CB VAL A 24 12.183 -8.281 4.009 1.00 15.12 C ATOM 368 CG1 VAL A 24 10.998 -8.773 4.826 1.00 73.05 C ATOM 369 CG2 VAL A 24 12.999 -9.449 3.481 1.00 42.33 C ATOM 0 H VAL A 24 13.529 -6.412 2.499 1.00 53.22 H new ATOM 0 HA VAL A 24 11.033 -7.958 2.210 1.00 32.54 H new ATOM 0 HB VAL A 24 12.822 -7.688 4.663 1.00 15.12 H new ATOM 0 HG11 VAL A 24 11.354 -9.403 5.641 1.00 73.05 H new ATOM 0 HG12 VAL A 24 10.459 -7.919 5.237 1.00 73.05 H new ATOM 0 HG13 VAL A 24 10.330 -9.350 4.187 1.00 73.05 H new ATOM 0 HG21 VAL A 24 13.327 -10.070 4.315 1.00 42.33 H new ATOM 0 HG22 VAL A 24 12.386 -10.044 2.804 1.00 42.33 H new ATOM 0 HG23 VAL A 24 13.870 -9.072 2.945 1.00 42.33 H new ATOM 379 N VAL A 25 9.649 -6.154 3.204 1.00 5.22 N ATOM 380 CA VAL A 25 8.820 -5.061 3.699 1.00 74.02 C ATOM 381 C VAL A 25 7.827 -5.555 4.744 1.00 75.54 C ATOM 382 O VAL A 25 7.307 -6.668 4.646 1.00 23.13 O ATOM 383 CB VAL A 25 8.047 -4.381 2.553 1.00 2.41 C ATOM 384 CG1 VAL A 25 7.167 -3.264 3.092 1.00 75.03 C ATOM 385 CG2 VAL A 25 9.011 -3.850 1.502 1.00 63.52 C ATOM 0 H VAL A 25 9.138 -6.872 2.691 1.00 5.22 H new ATOM 0 HA VAL A 25 9.492 -4.335 4.156 1.00 74.02 H new ATOM 0 HB VAL A 25 7.403 -5.124 2.081 1.00 2.41 H new ATOM 0 HG11 VAL A 25 6.629 -2.795 2.268 1.00 75.03 H new ATOM 0 HG12 VAL A 25 6.452 -3.676 3.805 1.00 75.03 H new ATOM 0 HG13 VAL A 25 7.788 -2.519 3.590 1.00 75.03 H new ATOM 0 HG21 VAL A 25 8.448 -3.373 0.700 1.00 63.52 H new ATOM 0 HG22 VAL A 25 9.681 -3.121 1.958 1.00 63.52 H new ATOM 0 HG23 VAL A 25 9.595 -4.675 1.094 1.00 63.52 H new ATOM 395 N THR A 26 7.564 -4.720 5.744 1.00 11.34 N ATOM 396 CA THR A 26 6.633 -5.071 6.808 1.00 21.44 C ATOM 397 C THR A 26 5.708 -3.905 7.137 1.00 24.12 C ATOM 398 O THR A 26 5.909 -2.788 6.662 1.00 42.10 O ATOM 399 CB THR A 26 7.378 -5.498 8.088 1.00 30.42 C ATOM 400 OG1 THR A 26 8.640 -4.827 8.166 1.00 21.54 O ATOM 401 CG2 THR A 26 7.594 -7.003 8.111 1.00 4.12 C ATOM 0 H THR A 26 7.983 -3.795 5.839 1.00 11.34 H new ATOM 0 HA THR A 26 6.040 -5.910 6.444 1.00 21.44 H new ATOM 0 HB THR A 26 6.767 -5.222 8.948 1.00 30.42 H new ATOM 0 HG1 THR A 26 9.107 -5.102 8.983 1.00 21.54 H new ATOM 0 HG21 THR A 26 8.122 -7.281 9.023 1.00 4.12 H new ATOM 0 HG22 THR A 26 6.629 -7.510 8.081 1.00 4.12 H new ATOM 0 HG23 THR A 26 8.186 -7.299 7.245 1.00 4.12 H new ATOM 409 N ALA A 27 4.695 -4.171 7.955 1.00 41.21 N ATOM 410 CA ALA A 27 3.741 -3.142 8.349 1.00 23.53 C ATOM 411 C ALA A 27 4.435 -2.006 9.093 1.00 43.15 C ATOM 412 O ALA A 27 3.941 -0.879 9.123 1.00 4.42 O ATOM 413 CB ALA A 27 2.640 -3.744 9.211 1.00 44.25 C ATOM 0 H ALA A 27 4.514 -5.090 8.358 1.00 41.21 H new ATOM 0 HA ALA A 27 3.295 -2.730 7.444 1.00 23.53 H new ATOM 0 HB1 ALA A 27 1.935 -2.964 9.498 1.00 44.25 H new ATOM 0 HB2 ALA A 27 2.117 -4.516 8.647 1.00 44.25 H new ATOM 0 HB3 ALA A 27 3.079 -4.184 10.107 1.00 44.25 H new ATOM 419 N ASP A 28 5.581 -2.310 9.693 1.00 74.35 N ATOM 420 CA ASP A 28 6.342 -1.314 10.436 1.00 5.42 C ATOM 421 C ASP A 28 7.282 -0.547 9.510 1.00 23.03 C ATOM 422 O ASP A 28 7.733 0.550 9.838 1.00 14.34 O ATOM 423 CB ASP A 28 7.143 -1.983 11.554 1.00 3.10 C ATOM 424 CG ASP A 28 7.657 -0.988 12.575 1.00 14.34 C ATOM 425 OD1 ASP A 28 6.838 -0.208 13.107 1.00 2.14 O ATOM 426 OD2 ASP A 28 8.877 -0.985 12.841 1.00 64.12 O ATOM 0 H ASP A 28 6.003 -3.239 9.679 1.00 74.35 H new ATOM 0 HA ASP A 28 5.637 -0.608 10.876 1.00 5.42 H new ATOM 0 HB2 ASP A 28 6.516 -2.721 12.054 1.00 3.10 H new ATOM 0 HB3 ASP A 28 7.985 -2.522 11.121 1.00 3.10 H new ATOM 431 N SER A 29 7.574 -1.133 8.354 1.00 43.43 N ATOM 432 CA SER A 29 8.464 -0.506 7.383 1.00 45.21 C ATOM 433 C SER A 29 7.787 0.687 6.717 1.00 43.23 C ATOM 434 O SER A 29 6.727 0.552 6.106 1.00 43.03 O ATOM 435 CB SER A 29 8.892 -1.522 6.323 1.00 52.23 C ATOM 436 OG SER A 29 9.570 -2.619 6.910 1.00 0.41 O ATOM 0 H SER A 29 7.208 -2.041 8.066 1.00 43.43 H new ATOM 0 HA SER A 29 9.348 -0.150 7.913 1.00 45.21 H new ATOM 0 HB2 SER A 29 8.015 -1.880 5.783 1.00 52.23 H new ATOM 0 HB3 SER A 29 9.541 -1.038 5.593 1.00 52.23 H new ATOM 0 HG SER A 29 8.925 -3.189 7.378 1.00 0.41 H new ATOM 442 N GLU A 30 8.407 1.856 6.839 1.00 1.45 N ATOM 443 CA GLU A 30 7.864 3.074 6.249 1.00 3.32 C ATOM 444 C GLU A 30 8.224 3.169 4.769 1.00 32.23 C ATOM 445 O GLU A 30 9.334 2.825 4.365 1.00 3.14 O ATOM 446 CB GLU A 30 8.388 4.305 6.992 1.00 4.43 C ATOM 447 CG GLU A 30 8.059 4.307 8.475 1.00 31.15 C ATOM 448 CD GLU A 30 8.964 5.224 9.273 1.00 22.22 C ATOM 449 OE1 GLU A 30 8.867 6.456 9.092 1.00 4.15 O ATOM 450 OE2 GLU A 30 9.769 4.710 10.078 1.00 10.54 O ATOM 0 H GLU A 30 9.285 1.986 7.341 1.00 1.45 H new ATOM 0 HA GLU A 30 6.778 3.038 6.340 1.00 3.32 H new ATOM 0 HB2 GLU A 30 9.470 4.360 6.868 1.00 4.43 H new ATOM 0 HB3 GLU A 30 7.969 5.201 6.534 1.00 4.43 H new ATOM 0 HG2 GLU A 30 7.023 4.616 8.613 1.00 31.15 H new ATOM 0 HG3 GLU A 30 8.143 3.292 8.863 1.00 31.15 H new ATOM 457 N PHE A 31 7.275 3.638 3.965 1.00 12.04 N ATOM 458 CA PHE A 31 7.490 3.777 2.530 1.00 50.23 C ATOM 459 C PHE A 31 8.769 4.559 2.244 1.00 64.33 C ATOM 460 O PHE A 31 9.508 4.241 1.312 1.00 13.15 O ATOM 461 CB PHE A 31 6.295 4.477 1.879 1.00 13.31 C ATOM 462 CG PHE A 31 5.045 3.644 1.867 1.00 24.13 C ATOM 463 CD1 PHE A 31 4.948 2.529 1.051 1.00 11.01 C ATOM 464 CD2 PHE A 31 3.968 3.977 2.673 1.00 60.25 C ATOM 465 CE1 PHE A 31 3.800 1.760 1.038 1.00 72.53 C ATOM 466 CE2 PHE A 31 2.817 3.211 2.664 1.00 72.04 C ATOM 467 CZ PHE A 31 2.732 2.102 1.845 1.00 2.22 C ATOM 0 H PHE A 31 6.350 3.928 4.283 1.00 12.04 H new ATOM 0 HA PHE A 31 7.593 2.778 2.106 1.00 50.23 H new ATOM 0 HB2 PHE A 31 6.096 5.408 2.410 1.00 13.31 H new ATOM 0 HB3 PHE A 31 6.554 4.743 0.854 1.00 13.31 H new ATOM 0 HD1 PHE A 31 5.779 2.257 0.417 1.00 11.01 H new ATOM 0 HD2 PHE A 31 4.028 4.844 3.315 1.00 60.25 H new ATOM 0 HE1 PHE A 31 3.738 0.893 0.398 1.00 72.53 H new ATOM 0 HE2 PHE A 31 1.984 3.480 3.297 1.00 72.04 H new ATOM 0 HZ PHE A 31 1.833 1.504 1.835 1.00 2.22 H new ATOM 477 N SER A 32 9.023 5.583 3.053 1.00 70.31 N ATOM 478 CA SER A 32 10.210 6.413 2.886 1.00 72.04 C ATOM 479 C SER A 32 11.480 5.586 3.064 1.00 12.40 C ATOM 480 O SER A 32 12.480 5.806 2.379 1.00 72.54 O ATOM 481 CB SER A 32 10.195 7.569 3.887 1.00 31.21 C ATOM 482 OG SER A 32 9.042 8.375 3.718 1.00 53.24 O ATOM 0 H SER A 32 8.423 5.857 3.830 1.00 70.31 H new ATOM 0 HA SER A 32 10.200 6.819 1.874 1.00 72.04 H new ATOM 0 HB2 SER A 32 10.221 7.175 4.903 1.00 31.21 H new ATOM 0 HB3 SER A 32 11.090 8.178 3.758 1.00 31.21 H new ATOM 0 HG SER A 32 9.055 9.106 4.371 1.00 53.24 H new ATOM 488 N LYS A 33 11.434 4.636 3.991 1.00 62.33 N ATOM 489 CA LYS A 33 12.579 3.774 4.261 1.00 2.32 C ATOM 490 C LYS A 33 12.789 2.775 3.127 1.00 13.21 C ATOM 491 O LYS A 33 13.920 2.527 2.706 1.00 31.42 O ATOM 492 CB LYS A 33 12.381 3.027 5.582 1.00 2.42 C ATOM 493 CG LYS A 33 13.042 3.706 6.769 1.00 21.53 C ATOM 494 CD LYS A 33 14.477 3.240 6.950 1.00 43.32 C ATOM 495 CE LYS A 33 14.562 2.045 7.885 1.00 24.51 C ATOM 496 NZ LYS A 33 14.358 2.436 9.307 1.00 14.52 N ATOM 0 H LYS A 33 10.616 4.443 4.569 1.00 62.33 H new ATOM 0 HA LYS A 33 13.466 4.404 4.335 1.00 2.32 H new ATOM 0 HB2 LYS A 33 11.313 2.929 5.778 1.00 2.42 H new ATOM 0 HB3 LYS A 33 12.780 2.018 5.483 1.00 2.42 H new ATOM 0 HG2 LYS A 33 13.025 4.787 6.627 1.00 21.53 H new ATOM 0 HG3 LYS A 33 12.473 3.494 7.674 1.00 21.53 H new ATOM 0 HD2 LYS A 33 14.899 2.975 5.981 1.00 43.32 H new ATOM 0 HD3 LYS A 33 15.079 4.058 7.347 1.00 43.32 H new ATOM 0 HE2 LYS A 33 13.812 1.307 7.600 1.00 24.51 H new ATOM 0 HE3 LYS A 33 15.536 1.568 7.776 1.00 24.51 H new ATOM 0 HZ1 LYS A 33 14.638 1.649 9.927 1.00 14.52 H new ATOM 0 HZ2 LYS A 33 14.938 3.271 9.524 1.00 14.52 H new ATOM 0 HZ3 LYS A 33 13.355 2.661 9.465 1.00 14.52 H new ATOM 510 N LEU A 34 11.694 2.207 2.635 1.00 52.20 N ATOM 511 CA LEU A 34 11.757 1.237 1.548 1.00 51.31 C ATOM 512 C LEU A 34 12.224 1.898 0.255 1.00 41.51 C ATOM 513 O LEU A 34 12.653 1.223 -0.681 1.00 30.42 O ATOM 514 CB LEU A 34 10.388 0.588 1.336 1.00 2.25 C ATOM 515 CG LEU A 34 9.711 0.027 2.587 1.00 45.12 C ATOM 516 CD1 LEU A 34 8.277 -0.375 2.283 1.00 13.22 C ATOM 517 CD2 LEU A 34 10.495 -1.159 3.131 1.00 3.14 C ATOM 0 H LEU A 34 10.751 2.402 2.972 1.00 52.20 H new ATOM 0 HA LEU A 34 12.478 0.467 1.823 1.00 51.31 H new ATOM 0 HB2 LEU A 34 9.723 1.327 0.888 1.00 2.25 H new ATOM 0 HB3 LEU A 34 10.499 -0.221 0.614 1.00 2.25 H new ATOM 0 HG LEU A 34 9.694 0.807 3.348 1.00 45.12 H new ATOM 0 HD11 LEU A 34 7.811 -0.772 3.185 1.00 13.22 H new ATOM 0 HD12 LEU A 34 7.720 0.497 1.940 1.00 13.22 H new ATOM 0 HD13 LEU A 34 8.270 -1.139 1.505 1.00 13.22 H new ATOM 0 HD21 LEU A 34 9.999 -1.546 4.021 1.00 3.14 H new ATOM 0 HD22 LEU A 34 10.543 -1.941 2.374 1.00 3.14 H new ATOM 0 HD23 LEU A 34 11.505 -0.840 3.388 1.00 3.14 H new ATOM 529 N GLY A 35 12.142 3.224 0.210 1.00 14.23 N ATOM 530 CA GLY A 35 12.561 3.954 -0.971 1.00 41.44 C ATOM 531 C GLY A 35 11.406 4.649 -1.664 1.00 54.20 C ATOM 532 O GLY A 35 11.611 5.558 -2.469 1.00 23.53 O ATOM 0 H GLY A 35 11.792 3.806 0.971 1.00 14.23 H new ATOM 0 HA2 GLY A 35 13.310 4.694 -0.690 1.00 41.44 H new ATOM 0 HA3 GLY A 35 13.038 3.266 -1.669 1.00 41.44 H new ATOM 536 N ALA A 36 10.187 4.222 -1.353 1.00 63.34 N ATOM 537 CA ALA A 36 8.994 4.810 -1.951 1.00 23.24 C ATOM 538 C ALA A 36 8.785 6.240 -1.465 1.00 21.14 C ATOM 539 O ALA A 36 8.449 6.468 -0.303 1.00 1.30 O ATOM 540 CB ALA A 36 7.772 3.959 -1.637 1.00 25.13 C ATOM 0 H ALA A 36 9.999 3.470 -0.690 1.00 63.34 H new ATOM 0 HA ALA A 36 9.135 4.838 -3.031 1.00 23.24 H new ATOM 0 HB1 ALA A 36 6.889 4.410 -2.090 1.00 25.13 H new ATOM 0 HB2 ALA A 36 7.914 2.956 -2.039 1.00 25.13 H new ATOM 0 HB3 ALA A 36 7.637 3.901 -0.557 1.00 25.13 H new ATOM 546 N ASP A 37 8.987 7.200 -2.361 1.00 64.32 N ATOM 547 CA ASP A 37 8.820 8.608 -2.024 1.00 71.41 C ATOM 548 C ASP A 37 7.441 9.107 -2.442 1.00 72.34 C ATOM 549 O ASP A 37 6.637 8.354 -2.993 1.00 63.21 O ATOM 550 CB ASP A 37 9.905 9.448 -2.698 1.00 63.13 C ATOM 551 CG ASP A 37 11.297 8.893 -2.464 1.00 31.21 C ATOM 552 OD1 ASP A 37 11.459 8.072 -1.536 1.00 11.51 O ATOM 553 OD2 ASP A 37 12.223 9.279 -3.207 1.00 30.31 O ATOM 0 H ASP A 37 9.267 7.028 -3.327 1.00 64.32 H new ATOM 0 HA ASP A 37 8.911 8.710 -0.943 1.00 71.41 H new ATOM 0 HB2 ASP A 37 9.711 9.494 -3.770 1.00 63.13 H new ATOM 0 HB3 ASP A 37 9.856 10.469 -2.321 1.00 63.13 H new ATOM 558 N SER A 38 7.171 10.381 -2.176 1.00 4.42 N ATOM 559 CA SER A 38 5.887 10.980 -2.519 1.00 63.53 C ATOM 560 C SER A 38 5.598 10.828 -4.010 1.00 5.02 C ATOM 561 O SER A 38 4.442 10.835 -4.434 1.00 43.44 O ATOM 562 CB SER A 38 5.871 12.459 -2.133 1.00 54.41 C ATOM 563 OG SER A 38 4.545 12.957 -2.078 1.00 14.31 O ATOM 0 H SER A 38 7.826 11.019 -1.723 1.00 4.42 H new ATOM 0 HA SER A 38 5.110 10.458 -1.961 1.00 63.53 H new ATOM 0 HB2 SER A 38 6.353 12.591 -1.164 1.00 54.41 H new ATOM 0 HB3 SER A 38 6.449 13.033 -2.857 1.00 54.41 H new ATOM 0 HG SER A 38 4.561 13.904 -1.828 1.00 14.31 H new ATOM 569 N LEU A 39 6.658 10.691 -4.800 1.00 2.03 N ATOM 570 CA LEU A 39 6.520 10.538 -6.244 1.00 42.22 C ATOM 571 C LEU A 39 6.162 9.101 -6.607 1.00 62.12 C ATOM 572 O LEU A 39 5.444 8.855 -7.577 1.00 61.04 O ATOM 573 CB LEU A 39 7.817 10.944 -6.945 1.00 52.54 C ATOM 574 CG LEU A 39 8.416 12.287 -6.525 1.00 74.14 C ATOM 575 CD1 LEU A 39 9.664 12.593 -7.337 1.00 53.41 C ATOM 576 CD2 LEU A 39 7.389 13.400 -6.681 1.00 4.33 C ATOM 0 H LEU A 39 7.621 10.683 -4.465 1.00 2.03 H new ATOM 0 HA LEU A 39 5.713 11.190 -6.579 1.00 42.22 H new ATOM 0 HB2 LEU A 39 8.560 10.167 -6.769 1.00 52.54 H new ATOM 0 HB3 LEU A 39 7.633 10.971 -8.019 1.00 52.54 H new ATOM 0 HG LEU A 39 8.699 12.224 -5.474 1.00 74.14 H new ATOM 0 HD11 LEU A 39 10.076 13.552 -7.024 1.00 53.41 H new ATOM 0 HD12 LEU A 39 10.405 11.810 -7.175 1.00 53.41 H new ATOM 0 HD13 LEU A 39 9.408 12.636 -8.396 1.00 53.41 H new ATOM 0 HD21 LEU A 39 7.832 14.349 -6.378 1.00 4.33 H new ATOM 0 HD22 LEU A 39 7.076 13.462 -7.723 1.00 4.33 H new ATOM 0 HD23 LEU A 39 6.523 13.187 -6.054 1.00 4.33 H new ATOM 588 N ASP A 40 6.664 8.154 -5.821 1.00 52.24 N ATOM 589 CA ASP A 40 6.394 6.741 -6.058 1.00 22.11 C ATOM 590 C ASP A 40 5.027 6.349 -5.506 1.00 21.41 C ATOM 591 O ASP A 40 4.386 5.422 -6.001 1.00 42.03 O ATOM 592 CB ASP A 40 7.482 5.878 -5.418 1.00 41.35 C ATOM 593 CG ASP A 40 8.580 5.510 -6.398 1.00 34.44 C ATOM 594 OD1 ASP A 40 9.536 6.300 -6.542 1.00 25.24 O ATOM 595 OD2 ASP A 40 8.482 4.432 -7.021 1.00 3.43 O ATOM 0 H ASP A 40 7.260 8.340 -5.014 1.00 52.24 H new ATOM 0 HA ASP A 40 6.393 6.572 -7.135 1.00 22.11 H new ATOM 0 HB2 ASP A 40 7.917 6.413 -4.574 1.00 41.35 H new ATOM 0 HB3 ASP A 40 7.033 4.968 -5.021 1.00 41.35 H new ATOM 600 N THR A 41 4.584 7.062 -4.474 1.00 5.22 N ATOM 601 CA THR A 41 3.295 6.787 -3.852 1.00 20.21 C ATOM 602 C THR A 41 2.190 6.693 -4.897 1.00 72.34 C ATOM 603 O THR A 41 1.329 5.815 -4.827 1.00 51.31 O ATOM 604 CB THR A 41 2.924 7.874 -2.826 1.00 32.13 C ATOM 605 OG1 THR A 41 4.110 8.419 -2.238 1.00 2.45 O ATOM 606 CG2 THR A 41 2.027 7.306 -1.736 1.00 2.23 C ATOM 0 H THR A 41 5.100 7.834 -4.052 1.00 5.22 H new ATOM 0 HA THR A 41 3.389 5.830 -3.339 1.00 20.21 H new ATOM 0 HB THR A 41 2.382 8.663 -3.347 1.00 32.13 H new ATOM 0 HG1 THR A 41 3.916 8.715 -1.324 1.00 2.45 H new ATOM 0 HG21 THR A 41 1.778 8.092 -1.023 1.00 2.23 H new ATOM 0 HG22 THR A 41 1.112 6.919 -2.183 1.00 2.23 H new ATOM 0 HG23 THR A 41 2.548 6.500 -1.220 1.00 2.23 H new ATOM 614 N VAL A 42 2.219 7.601 -5.867 1.00 11.54 N ATOM 615 CA VAL A 42 1.220 7.619 -6.929 1.00 50.22 C ATOM 616 C VAL A 42 1.201 6.296 -7.687 1.00 33.31 C ATOM 617 O VAL A 42 0.147 5.840 -8.130 1.00 24.34 O ATOM 618 CB VAL A 42 1.480 8.765 -7.925 1.00 61.12 C ATOM 619 CG1 VAL A 42 2.786 8.539 -8.670 1.00 45.43 C ATOM 620 CG2 VAL A 42 0.318 8.898 -8.898 1.00 3.21 C ATOM 0 H VAL A 42 2.924 8.334 -5.939 1.00 11.54 H new ATOM 0 HA VAL A 42 0.253 7.775 -6.452 1.00 50.22 H new ATOM 0 HB VAL A 42 1.565 9.697 -7.366 1.00 61.12 H new ATOM 0 HG11 VAL A 42 2.953 9.359 -9.369 1.00 45.43 H new ATOM 0 HG12 VAL A 42 3.609 8.497 -7.957 1.00 45.43 H new ATOM 0 HG13 VAL A 42 2.734 7.599 -9.219 1.00 45.43 H new ATOM 0 HG21 VAL A 42 0.518 9.712 -9.595 1.00 3.21 H new ATOM 0 HG22 VAL A 42 0.199 7.967 -9.452 1.00 3.21 H new ATOM 0 HG23 VAL A 42 -0.597 9.110 -8.345 1.00 3.21 H new ATOM 630 N GLU A 43 2.373 5.685 -7.831 1.00 74.31 N ATOM 631 CA GLU A 43 2.489 4.414 -8.537 1.00 2.23 C ATOM 632 C GLU A 43 1.966 3.266 -7.678 1.00 21.43 C ATOM 633 O GLU A 43 1.485 2.258 -8.197 1.00 2.31 O ATOM 634 CB GLU A 43 3.946 4.153 -8.925 1.00 22.10 C ATOM 635 CG GLU A 43 4.165 4.037 -10.424 1.00 35.30 C ATOM 636 CD GLU A 43 3.521 5.172 -11.197 1.00 15.24 C ATOM 637 OE1 GLU A 43 3.664 6.337 -10.769 1.00 42.13 O ATOM 638 OE2 GLU A 43 2.873 4.897 -12.228 1.00 71.11 O ATOM 0 H GLU A 43 3.254 6.049 -7.469 1.00 74.31 H new ATOM 0 HA GLU A 43 1.884 4.473 -9.442 1.00 2.23 H new ATOM 0 HB2 GLU A 43 4.567 4.961 -8.537 1.00 22.10 H new ATOM 0 HB3 GLU A 43 4.282 3.234 -8.445 1.00 22.10 H new ATOM 0 HG2 GLU A 43 5.235 4.023 -10.631 1.00 35.30 H new ATOM 0 HG3 GLU A 43 3.760 3.088 -10.774 1.00 35.30 H new ATOM 645 N ILE A 44 2.065 3.426 -6.363 1.00 15.34 N ATOM 646 CA ILE A 44 1.601 2.405 -5.432 1.00 64.14 C ATOM 647 C ILE A 44 0.084 2.258 -5.487 1.00 4.11 C ATOM 648 O ILE A 44 -0.438 1.161 -5.683 1.00 22.41 O ATOM 649 CB ILE A 44 2.023 2.726 -3.986 1.00 43.04 C ATOM 650 CG1 ILE A 44 3.521 3.033 -3.926 1.00 25.23 C ATOM 651 CG2 ILE A 44 1.676 1.568 -3.063 1.00 62.14 C ATOM 652 CD1 ILE A 44 4.377 2.013 -4.645 1.00 72.31 C ATOM 0 H ILE A 44 2.463 4.253 -5.918 1.00 15.34 H new ATOM 0 HA ILE A 44 2.065 1.467 -5.737 1.00 64.14 H new ATOM 0 HB ILE A 44 1.477 3.607 -3.650 1.00 43.04 H new ATOM 0 HG12 ILE A 44 3.700 4.016 -4.361 1.00 25.23 H new ATOM 0 HG13 ILE A 44 3.831 3.085 -2.882 1.00 25.23 H new ATOM 0 HG21 ILE A 44 1.981 1.810 -2.045 1.00 62.14 H new ATOM 0 HG22 ILE A 44 0.601 1.392 -3.088 1.00 62.14 H new ATOM 0 HG23 ILE A 44 2.198 0.670 -3.394 1.00 62.14 H new ATOM 0 HD11 ILE A 44 5.427 2.295 -4.561 1.00 72.31 H new ATOM 0 HD12 ILE A 44 4.228 1.031 -4.196 1.00 72.31 H new ATOM 0 HD13 ILE A 44 4.094 1.977 -5.697 1.00 72.31 H new ATOM 664 N VAL A 45 -0.618 3.373 -5.312 1.00 72.35 N ATOM 665 CA VAL A 45 -2.077 3.370 -5.345 1.00 44.30 C ATOM 666 C VAL A 45 -2.595 2.967 -6.720 1.00 40.50 C ATOM 667 O VAL A 45 -3.642 2.333 -6.838 1.00 74.42 O ATOM 668 CB VAL A 45 -2.648 4.752 -4.976 1.00 41.22 C ATOM 669 CG1 VAL A 45 -2.176 5.806 -5.967 1.00 12.01 C ATOM 670 CG2 VAL A 45 -4.167 4.702 -4.922 1.00 71.34 C ATOM 0 H VAL A 45 -0.201 4.289 -5.146 1.00 72.35 H new ATOM 0 HA VAL A 45 -2.410 2.639 -4.608 1.00 44.30 H new ATOM 0 HB VAL A 45 -2.280 5.027 -3.987 1.00 41.22 H new ATOM 0 HG11 VAL A 45 -2.589 6.776 -5.691 1.00 12.01 H new ATOM 0 HG12 VAL A 45 -1.087 5.858 -5.952 1.00 12.01 H new ATOM 0 HG13 VAL A 45 -2.513 5.540 -6.969 1.00 12.01 H new ATOM 0 HG21 VAL A 45 -4.554 5.687 -4.660 1.00 71.34 H new ATOM 0 HG22 VAL A 45 -4.556 4.406 -5.896 1.00 71.34 H new ATOM 0 HG23 VAL A 45 -4.481 3.977 -4.171 1.00 71.34 H new ATOM 680 N MET A 46 -1.854 3.340 -7.758 1.00 71.04 N ATOM 681 CA MET A 46 -2.238 3.016 -9.128 1.00 31.44 C ATOM 682 C MET A 46 -2.299 1.505 -9.332 1.00 3.13 C ATOM 683 O MET A 46 -3.216 0.993 -9.971 1.00 74.43 O ATOM 684 CB MET A 46 -1.251 3.636 -10.117 1.00 55.44 C ATOM 685 CG MET A 46 -1.834 3.845 -11.506 1.00 51.43 C ATOM 686 SD MET A 46 -2.759 5.387 -11.647 1.00 4.03 S ATOM 687 CE MET A 46 -1.422 6.579 -11.708 1.00 63.33 C ATOM 0 H MET A 46 -0.984 3.867 -7.677 1.00 71.04 H new ATOM 0 HA MET A 46 -3.230 3.430 -9.309 1.00 31.44 H new ATOM 0 HB2 MET A 46 -0.911 4.595 -9.726 1.00 55.44 H new ATOM 0 HB3 MET A 46 -0.373 2.994 -10.193 1.00 55.44 H new ATOM 0 HG2 MET A 46 -1.027 3.842 -12.239 1.00 51.43 H new ATOM 0 HG3 MET A 46 -2.490 3.009 -11.750 1.00 51.43 H new ATOM 0 HE1 MET A 46 -1.599 7.363 -10.972 1.00 63.33 H new ATOM 0 HE2 MET A 46 -0.479 6.080 -11.486 1.00 63.33 H new ATOM 0 HE3 MET A 46 -1.373 7.021 -12.703 1.00 63.33 H new ATOM 697 N ASN A 47 -1.316 0.799 -8.784 1.00 20.23 N ATOM 698 CA ASN A 47 -1.258 -0.653 -8.907 1.00 65.24 C ATOM 699 C ASN A 47 -2.266 -1.319 -7.975 1.00 52.13 C ATOM 700 O ASN A 47 -2.921 -2.294 -8.347 1.00 21.23 O ATOM 701 CB ASN A 47 0.153 -1.157 -8.594 1.00 40.01 C ATOM 702 CG ASN A 47 1.011 -1.282 -9.838 1.00 61.02 C ATOM 703 OD1 ASN A 47 1.672 -2.299 -10.050 1.00 22.31 O ATOM 704 ND2 ASN A 47 1.006 -0.245 -10.667 1.00 32.50 N ATOM 0 H ASN A 47 -0.549 1.208 -8.251 1.00 20.23 H new ATOM 0 HA ASN A 47 -1.511 -0.916 -9.934 1.00 65.24 H new ATOM 0 HB2 ASN A 47 0.632 -0.474 -7.892 1.00 40.01 H new ATOM 0 HB3 ASN A 47 0.088 -2.127 -8.101 1.00 40.01 H new ATOM 0 HD21 ASN A 47 1.565 -0.271 -11.520 1.00 32.50 H new ATOM 0 HD22 ASN A 47 0.443 0.578 -10.451 1.00 32.50 H new ATOM 711 N LEU A 48 -2.386 -0.786 -6.765 1.00 54.20 N ATOM 712 CA LEU A 48 -3.315 -1.328 -5.779 1.00 41.23 C ATOM 713 C LEU A 48 -4.757 -1.188 -6.256 1.00 33.34 C ATOM 714 O LEU A 48 -5.536 -2.138 -6.192 1.00 22.24 O ATOM 715 CB LEU A 48 -3.137 -0.615 -4.437 1.00 33.13 C ATOM 716 CG LEU A 48 -1.804 -0.845 -3.726 1.00 11.14 C ATOM 717 CD1 LEU A 48 -1.634 0.139 -2.578 1.00 23.40 C ATOM 718 CD2 LEU A 48 -1.708 -2.278 -3.222 1.00 14.23 C ATOM 0 H LEU A 48 -1.852 0.021 -6.442 1.00 54.20 H new ATOM 0 HA LEU A 48 -3.096 -2.388 -5.652 1.00 41.23 H new ATOM 0 HB2 LEU A 48 -3.260 0.456 -4.598 1.00 33.13 H new ATOM 0 HB3 LEU A 48 -3.940 -0.931 -3.771 1.00 33.13 H new ATOM 0 HG LEU A 48 -0.999 -0.679 -4.442 1.00 11.14 H new ATOM 0 HD11 LEU A 48 -0.679 -0.040 -2.084 1.00 23.40 H new ATOM 0 HD12 LEU A 48 -1.657 1.158 -2.965 1.00 23.40 H new ATOM 0 HD13 LEU A 48 -2.444 0.005 -1.861 1.00 23.40 H new ATOM 0 HD21 LEU A 48 -0.752 -2.423 -2.719 1.00 14.23 H new ATOM 0 HD22 LEU A 48 -2.520 -2.473 -2.522 1.00 14.23 H new ATOM 0 HD23 LEU A 48 -1.783 -2.966 -4.064 1.00 14.23 H new ATOM 730 N GLU A 49 -5.103 0.003 -6.735 1.00 34.34 N ATOM 731 CA GLU A 49 -6.453 0.265 -7.223 1.00 41.40 C ATOM 732 C GLU A 49 -6.847 -0.743 -8.298 1.00 72.04 C ATOM 733 O GLU A 49 -7.992 -1.191 -8.352 1.00 22.30 O ATOM 734 CB GLU A 49 -6.549 1.687 -7.781 1.00 50.43 C ATOM 735 CG GLU A 49 -6.776 2.745 -6.716 1.00 0.43 C ATOM 736 CD GLU A 49 -6.802 4.151 -7.285 1.00 41.30 C ATOM 737 OE1 GLU A 49 -6.847 4.289 -8.526 1.00 23.32 O ATOM 738 OE2 GLU A 49 -6.777 5.114 -6.490 1.00 22.31 O ATOM 0 H GLU A 49 -4.469 0.800 -6.796 1.00 34.34 H new ATOM 0 HA GLU A 49 -7.142 0.164 -6.385 1.00 41.40 H new ATOM 0 HB2 GLU A 49 -5.631 1.919 -8.321 1.00 50.43 H new ATOM 0 HB3 GLU A 49 -7.364 1.730 -8.504 1.00 50.43 H new ATOM 0 HG2 GLU A 49 -7.719 2.546 -6.207 1.00 0.43 H new ATOM 0 HG3 GLU A 49 -5.988 2.675 -5.966 1.00 0.43 H new ATOM 745 N GLU A 50 -5.891 -1.094 -9.152 1.00 35.42 N ATOM 746 CA GLU A 50 -6.140 -2.048 -10.226 1.00 61.15 C ATOM 747 C GLU A 50 -6.217 -3.471 -9.682 1.00 70.24 C ATOM 748 O GLU A 50 -6.890 -4.329 -10.254 1.00 72.51 O ATOM 749 CB GLU A 50 -5.040 -1.954 -11.287 1.00 74.31 C ATOM 750 CG GLU A 50 -5.489 -2.398 -12.669 1.00 73.14 C ATOM 751 CD GLU A 50 -6.301 -1.337 -13.387 1.00 64.22 C ATOM 752 OE1 GLU A 50 -7.304 -0.867 -12.811 1.00 65.24 O ATOM 753 OE2 GLU A 50 -5.932 -0.977 -14.525 1.00 51.30 O ATOM 0 H GLU A 50 -4.938 -0.732 -9.121 1.00 35.42 H new ATOM 0 HA GLU A 50 -7.098 -1.800 -10.683 1.00 61.15 H new ATOM 0 HB2 GLU A 50 -4.687 -0.924 -11.342 1.00 74.31 H new ATOM 0 HB3 GLU A 50 -4.193 -2.565 -10.975 1.00 74.31 H new ATOM 0 HG2 GLU A 50 -4.614 -2.648 -13.269 1.00 73.14 H new ATOM 0 HG3 GLU A 50 -6.084 -3.307 -12.579 1.00 73.14 H new ATOM 760 N GLU A 51 -5.523 -3.714 -8.576 1.00 22.22 N ATOM 761 CA GLU A 51 -5.513 -5.034 -7.956 1.00 24.12 C ATOM 762 C GLU A 51 -6.831 -5.310 -7.239 1.00 3.44 C ATOM 763 O GLU A 51 -7.468 -6.339 -7.461 1.00 42.23 O ATOM 764 CB GLU A 51 -4.349 -5.149 -6.968 1.00 11.13 C ATOM 765 CG GLU A 51 -3.830 -6.567 -6.801 1.00 45.12 C ATOM 766 CD GLU A 51 -3.224 -7.120 -8.076 1.00 42.01 C ATOM 767 OE1 GLU A 51 -2.832 -6.313 -8.946 1.00 34.12 O ATOM 768 OE2 GLU A 51 -3.141 -8.359 -8.207 1.00 20.45 O ATOM 0 H GLU A 51 -4.960 -3.015 -8.091 1.00 22.22 H new ATOM 0 HA GLU A 51 -5.387 -5.776 -8.745 1.00 24.12 H new ATOM 0 HB2 GLU A 51 -3.533 -4.510 -7.305 1.00 11.13 H new ATOM 0 HB3 GLU A 51 -4.669 -4.772 -5.997 1.00 11.13 H new ATOM 0 HG2 GLU A 51 -3.081 -6.585 -6.010 1.00 45.12 H new ATOM 0 HG3 GLU A 51 -4.647 -7.214 -6.481 1.00 45.12 H new ATOM 775 N PHE A 52 -7.234 -4.382 -6.377 1.00 1.14 N ATOM 776 CA PHE A 52 -8.476 -4.524 -5.626 1.00 0.13 C ATOM 777 C PHE A 52 -9.635 -3.858 -6.360 1.00 74.12 C ATOM 778 O PHE A 52 -10.732 -3.724 -5.819 1.00 72.32 O ATOM 779 CB PHE A 52 -8.324 -3.916 -4.230 1.00 20.34 C ATOM 780 CG PHE A 52 -7.175 -4.486 -3.449 1.00 1.03 C ATOM 781 CD1 PHE A 52 -7.337 -5.634 -2.689 1.00 72.25 C ATOM 782 CD2 PHE A 52 -5.933 -3.874 -3.474 1.00 4.22 C ATOM 783 CE1 PHE A 52 -6.281 -6.161 -1.970 1.00 30.40 C ATOM 784 CE2 PHE A 52 -4.873 -4.398 -2.757 1.00 4.34 C ATOM 785 CZ PHE A 52 -5.048 -5.541 -2.003 1.00 61.43 C ATOM 0 H PHE A 52 -6.719 -3.524 -6.181 1.00 1.14 H new ATOM 0 HA PHE A 52 -8.694 -5.588 -5.530 1.00 0.13 H new ATOM 0 HB2 PHE A 52 -8.189 -2.838 -4.325 1.00 20.34 H new ATOM 0 HB3 PHE A 52 -9.246 -4.074 -3.671 1.00 20.34 H new ATOM 0 HD1 PHE A 52 -8.300 -6.122 -2.658 1.00 72.25 H new ATOM 0 HD2 PHE A 52 -5.791 -2.978 -4.060 1.00 4.22 H new ATOM 0 HE1 PHE A 52 -6.420 -7.057 -1.383 1.00 30.40 H new ATOM 0 HE2 PHE A 52 -3.908 -3.913 -2.787 1.00 4.34 H new ATOM 0 HZ PHE A 52 -4.222 -5.949 -1.440 1.00 61.43 H new ATOM 795 N GLY A 53 -9.383 -3.440 -7.597 1.00 64.31 N ATOM 796 CA GLY A 53 -10.414 -2.793 -8.385 1.00 74.05 C ATOM 797 C GLY A 53 -11.067 -1.639 -7.651 1.00 10.34 C ATOM 798 O GLY A 53 -12.236 -1.327 -7.885 1.00 43.40 O ATOM 0 H GLY A 53 -8.483 -3.538 -8.067 1.00 64.31 H new ATOM 0 HA2 GLY A 53 -9.980 -2.428 -9.316 1.00 74.05 H new ATOM 0 HA3 GLY A 53 -11.175 -3.526 -8.654 1.00 74.05 H new ATOM 802 N ILE A 54 -10.313 -1.005 -6.760 1.00 22.04 N ATOM 803 CA ILE A 54 -10.826 0.121 -5.987 1.00 44.25 C ATOM 804 C ILE A 54 -10.376 1.449 -6.587 1.00 2.23 C ATOM 805 O ILE A 54 -9.688 1.480 -7.606 1.00 54.10 O ATOM 806 CB ILE A 54 -10.368 0.051 -4.519 1.00 10.22 C ATOM 807 CG1 ILE A 54 -8.840 -0.004 -4.440 1.00 61.55 C ATOM 808 CG2 ILE A 54 -10.984 -1.156 -3.829 1.00 12.45 C ATOM 809 CD1 ILE A 54 -8.304 0.101 -3.030 1.00 72.22 C ATOM 0 H ILE A 54 -9.345 -1.251 -6.555 1.00 22.04 H new ATOM 0 HA ILE A 54 -11.914 0.059 -6.022 1.00 44.25 H new ATOM 0 HB ILE A 54 -10.707 0.950 -4.005 1.00 10.22 H new ATOM 0 HG12 ILE A 54 -8.495 -0.938 -4.883 1.00 61.55 H new ATOM 0 HG13 ILE A 54 -8.424 0.806 -5.040 1.00 61.55 H new ATOM 0 HG21 ILE A 54 -10.651 -1.192 -2.792 1.00 12.45 H new ATOM 0 HG22 ILE A 54 -12.071 -1.077 -3.858 1.00 12.45 H new ATOM 0 HG23 ILE A 54 -10.673 -2.066 -4.342 1.00 12.45 H new ATOM 0 HD11 ILE A 54 -7.215 0.055 -3.050 1.00 72.22 H new ATOM 0 HD12 ILE A 54 -8.619 1.047 -2.591 1.00 72.22 H new ATOM 0 HD13 ILE A 54 -8.691 -0.724 -2.431 1.00 72.22 H new ATOM 821 N ASN A 55 -10.768 2.545 -5.946 1.00 32.51 N ATOM 822 CA ASN A 55 -10.405 3.877 -6.415 1.00 24.25 C ATOM 823 C ASN A 55 -10.293 4.852 -5.247 1.00 3.23 C ATOM 824 O ASN A 55 -11.205 4.965 -4.428 1.00 54.12 O ATOM 825 CB ASN A 55 -11.438 4.385 -7.421 1.00 40.21 C ATOM 826 CG ASN A 55 -12.760 4.737 -6.767 1.00 20.53 C ATOM 827 OD1 ASN A 55 -13.079 5.911 -6.577 1.00 51.12 O ATOM 828 ND2 ASN A 55 -13.536 3.719 -6.416 1.00 61.53 N ATOM 0 H ASN A 55 -11.337 2.537 -5.100 1.00 32.51 H new ATOM 0 HA ASN A 55 -9.434 3.811 -6.905 1.00 24.25 H new ATOM 0 HB2 ASN A 55 -11.043 5.264 -7.930 1.00 40.21 H new ATOM 0 HB3 ASN A 55 -11.604 3.623 -8.182 1.00 40.21 H new ATOM 0 HD21 ASN A 55 -14.436 3.894 -5.970 1.00 61.53 H new ATOM 0 HD22 ASN A 55 -13.232 2.761 -6.592 1.00 61.53 H new ATOM 835 N VAL A 56 -9.168 5.558 -5.178 1.00 44.34 N ATOM 836 CA VAL A 56 -8.937 6.525 -4.113 1.00 5.21 C ATOM 837 C VAL A 56 -8.030 7.656 -4.585 1.00 13.42 C ATOM 838 O VAL A 56 -7.127 7.445 -5.394 1.00 64.44 O ATOM 839 CB VAL A 56 -8.305 5.859 -2.876 1.00 62.43 C ATOM 840 CG1 VAL A 56 -6.982 5.202 -3.240 1.00 75.42 C ATOM 841 CG2 VAL A 56 -8.117 6.876 -1.760 1.00 63.14 C ATOM 0 H VAL A 56 -8.403 5.478 -5.848 1.00 44.34 H new ATOM 0 HA VAL A 56 -9.910 6.932 -3.840 1.00 5.21 H new ATOM 0 HB VAL A 56 -8.981 5.083 -2.518 1.00 62.43 H new ATOM 0 HG11 VAL A 56 -6.551 4.737 -2.354 1.00 75.42 H new ATOM 0 HG12 VAL A 56 -7.151 4.442 -4.003 1.00 75.42 H new ATOM 0 HG13 VAL A 56 -6.295 5.956 -3.625 1.00 75.42 H new ATOM 0 HG21 VAL A 56 -7.669 6.388 -0.894 1.00 63.14 H new ATOM 0 HG22 VAL A 56 -7.462 7.677 -2.104 1.00 63.14 H new ATOM 0 HG23 VAL A 56 -9.085 7.293 -1.481 1.00 63.14 H new ATOM 851 N ASP A 57 -8.276 8.857 -4.073 1.00 23.30 N ATOM 852 CA ASP A 57 -7.480 10.023 -4.442 1.00 34.53 C ATOM 853 C ASP A 57 -6.180 10.066 -3.646 1.00 22.43 C ATOM 854 O ASP A 57 -6.139 9.662 -2.484 1.00 3.35 O ATOM 855 CB ASP A 57 -8.279 11.307 -4.207 1.00 62.34 C ATOM 856 CG ASP A 57 -7.884 12.416 -5.162 1.00 22.11 C ATOM 857 OD1 ASP A 57 -8.446 12.468 -6.276 1.00 24.14 O ATOM 858 OD2 ASP A 57 -7.012 13.231 -4.796 1.00 0.35 O ATOM 0 H ASP A 57 -9.020 9.049 -3.402 1.00 23.30 H new ATOM 0 HA ASP A 57 -7.235 9.945 -5.501 1.00 34.53 H new ATOM 0 HB2 ASP A 57 -9.342 11.096 -4.320 1.00 62.34 H new ATOM 0 HB3 ASP A 57 -8.128 11.643 -3.181 1.00 62.34 H new ATOM 863 N GLU A 58 -5.120 10.558 -4.280 1.00 22.14 N ATOM 864 CA GLU A 58 -3.817 10.652 -3.630 1.00 34.10 C ATOM 865 C GLU A 58 -3.899 11.504 -2.367 1.00 72.13 C ATOM 866 O GLU A 58 -3.306 11.170 -1.340 1.00 53.03 O ATOM 867 CB GLU A 58 -2.785 11.244 -4.592 1.00 33.23 C ATOM 868 CG GLU A 58 -1.348 10.933 -4.208 1.00 52.33 C ATOM 869 CD GLU A 58 -0.353 11.868 -4.867 1.00 43.53 C ATOM 870 OE1 GLU A 58 -0.633 13.084 -4.932 1.00 64.31 O ATOM 871 OE2 GLU A 58 0.706 11.383 -5.319 1.00 15.03 O ATOM 0 H GLU A 58 -5.137 10.897 -5.242 1.00 22.14 H new ATOM 0 HA GLU A 58 -3.506 9.646 -3.349 1.00 34.10 H new ATOM 0 HB2 GLU A 58 -2.975 10.863 -5.595 1.00 33.23 H new ATOM 0 HB3 GLU A 58 -2.916 12.325 -4.632 1.00 33.23 H new ATOM 0 HG2 GLU A 58 -1.242 11.001 -3.125 1.00 52.33 H new ATOM 0 HG3 GLU A 58 -1.115 9.905 -4.487 1.00 52.33 H new ATOM 878 N ASP A 59 -4.638 12.605 -2.450 1.00 52.00 N ATOM 879 CA ASP A 59 -4.798 13.505 -1.315 1.00 13.34 C ATOM 880 C ASP A 59 -5.355 12.761 -0.105 1.00 74.41 C ATOM 881 O ASP A 59 -5.111 13.142 1.039 1.00 4.25 O ATOM 882 CB ASP A 59 -5.722 14.667 -1.683 1.00 51.35 C ATOM 883 CG ASP A 59 -5.891 15.657 -0.548 1.00 25.02 C ATOM 884 OD1 ASP A 59 -4.870 16.213 -0.089 1.00 73.04 O ATOM 885 OD2 ASP A 59 -7.042 15.876 -0.118 1.00 53.43 O ATOM 0 H ASP A 59 -5.136 12.895 -3.292 1.00 52.00 H new ATOM 0 HA ASP A 59 -3.816 13.900 -1.056 1.00 13.34 H new ATOM 0 HB2 ASP A 59 -5.321 15.184 -2.555 1.00 51.35 H new ATOM 0 HB3 ASP A 59 -6.698 14.274 -1.967 1.00 51.35 H new ATOM 890 N LYS A 60 -6.108 11.698 -0.367 1.00 64.43 N ATOM 891 CA LYS A 60 -6.701 10.898 0.698 1.00 11.04 C ATOM 892 C LYS A 60 -5.664 9.970 1.324 1.00 62.31 C ATOM 893 O LYS A 60 -5.791 9.572 2.481 1.00 52.13 O ATOM 894 CB LYS A 60 -7.874 10.078 0.157 1.00 13.31 C ATOM 895 CG LYS A 60 -8.946 10.922 -0.513 1.00 61.35 C ATOM 896 CD LYS A 60 -10.023 11.341 0.473 1.00 70.32 C ATOM 897 CE LYS A 60 -11.047 10.235 0.683 1.00 12.04 C ATOM 898 NZ LYS A 60 -10.680 9.348 1.821 1.00 24.14 N ATOM 0 H LYS A 60 -6.322 11.370 -1.309 1.00 64.43 H new ATOM 0 HA LYS A 60 -7.066 11.578 1.468 1.00 11.04 H new ATOM 0 HB2 LYS A 60 -7.497 9.348 -0.559 1.00 13.31 H new ATOM 0 HB3 LYS A 60 -8.324 9.517 0.977 1.00 13.31 H new ATOM 0 HG2 LYS A 60 -8.490 11.809 -0.953 1.00 61.35 H new ATOM 0 HG3 LYS A 60 -9.398 10.357 -1.329 1.00 61.35 H new ATOM 0 HD2 LYS A 60 -9.564 11.599 1.427 1.00 70.32 H new ATOM 0 HD3 LYS A 60 -10.524 12.237 0.107 1.00 70.32 H new ATOM 0 HE2 LYS A 60 -12.026 10.677 0.868 1.00 12.04 H new ATOM 0 HE3 LYS A 60 -11.132 9.641 -0.227 1.00 12.04 H new ATOM 0 HZ1 LYS A 60 -11.544 9.023 2.300 1.00 24.14 H new ATOM 0 HZ2 LYS A 60 -10.152 8.526 1.464 1.00 24.14 H new ATOM 0 HZ3 LYS A 60 -10.088 9.874 2.494 1.00 24.14 H new ATOM 912 N ALA A 61 -4.638 9.629 0.550 1.00 74.11 N ATOM 913 CA ALA A 61 -3.579 8.751 1.029 1.00 3.15 C ATOM 914 C ALA A 61 -2.356 9.552 1.464 1.00 61.03 C ATOM 915 O ALA A 61 -1.228 9.064 1.397 1.00 54.44 O ATOM 916 CB ALA A 61 -3.199 7.746 -0.048 1.00 43.25 C ATOM 0 H ALA A 61 -4.519 9.948 -0.411 1.00 74.11 H new ATOM 0 HA ALA A 61 -3.954 8.211 1.898 1.00 3.15 H new ATOM 0 HB1 ALA A 61 -2.407 7.096 0.324 1.00 43.25 H new ATOM 0 HB2 ALA A 61 -4.070 7.144 -0.307 1.00 43.25 H new ATOM 0 HB3 ALA A 61 -2.848 8.277 -0.933 1.00 43.25 H new ATOM 922 N GLN A 62 -2.588 10.782 1.908 1.00 33.35 N ATOM 923 CA GLN A 62 -1.505 11.650 2.353 1.00 40.34 C ATOM 924 C GLN A 62 -0.976 11.210 3.714 1.00 72.42 C ATOM 925 O GLN A 62 0.228 11.038 3.897 1.00 4.35 O ATOM 926 CB GLN A 62 -1.982 13.102 2.423 1.00 20.32 C ATOM 927 CG GLN A 62 -2.121 13.764 1.062 1.00 34.41 C ATOM 928 CD GLN A 62 -0.809 14.316 0.545 1.00 71.15 C ATOM 929 OE1 GLN A 62 -0.127 15.075 1.233 1.00 3.44 O ATOM 930 NE2 GLN A 62 -0.447 13.938 -0.676 1.00 13.13 N ATOM 0 H GLN A 62 -3.516 11.200 1.969 1.00 33.35 H new ATOM 0 HA GLN A 62 -0.694 11.576 1.628 1.00 40.34 H new ATOM 0 HB2 GLN A 62 -2.944 13.135 2.934 1.00 20.32 H new ATOM 0 HB3 GLN A 62 -1.281 13.677 3.027 1.00 20.32 H new ATOM 0 HG2 GLN A 62 -2.512 13.039 0.348 1.00 34.41 H new ATOM 0 HG3 GLN A 62 -2.850 14.572 1.128 1.00 34.41 H new ATOM 0 HE21 GLN A 62 -1.043 13.307 -1.212 1.00 13.13 H new ATOM 0 HE22 GLN A 62 0.427 14.279 -1.077 1.00 13.13 H new ATOM 939 N ASP A 63 -1.886 11.027 4.665 1.00 13.33 N ATOM 940 CA ASP A 63 -1.512 10.605 6.010 1.00 13.15 C ATOM 941 C ASP A 63 -0.750 9.285 5.973 1.00 61.01 C ATOM 942 O ASP A 63 0.014 8.972 6.886 1.00 20.15 O ATOM 943 CB ASP A 63 -2.757 10.466 6.888 1.00 1.34 C ATOM 944 CG ASP A 63 -3.670 11.673 6.795 1.00 4.52 C ATOM 945 OD1 ASP A 63 -3.168 12.808 6.936 1.00 22.32 O ATOM 946 OD2 ASP A 63 -4.885 11.483 6.580 1.00 21.52 O ATOM 0 H ASP A 63 -2.888 11.164 4.529 1.00 13.33 H new ATOM 0 HA ASP A 63 -0.860 11.368 6.436 1.00 13.15 H new ATOM 0 HB2 ASP A 63 -3.309 9.574 6.592 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -2.453 10.324 7.925 1.00 1.34 H new ATOM 951 N ILE A 64 -0.964 8.514 4.911 1.00 24.52 N ATOM 952 CA ILE A 64 -0.298 7.227 4.756 1.00 5.23 C ATOM 953 C ILE A 64 1.211 7.364 4.936 1.00 41.22 C ATOM 954 O ILE A 64 1.861 8.143 4.239 1.00 63.51 O ATOM 955 CB ILE A 64 -0.583 6.608 3.376 1.00 33.52 C ATOM 956 CG1 ILE A 64 -2.093 6.498 3.145 1.00 3.43 C ATOM 957 CG2 ILE A 64 0.075 5.241 3.262 1.00 54.55 C ATOM 958 CD1 ILE A 64 -2.807 5.677 4.196 1.00 45.33 C ATOM 0 H ILE A 64 -1.593 8.759 4.146 1.00 24.52 H new ATOM 0 HA ILE A 64 -0.697 6.571 5.529 1.00 5.23 H new ATOM 0 HB ILE A 64 -0.162 7.258 2.609 1.00 33.52 H new ATOM 0 HG12 ILE A 64 -2.523 7.499 3.124 1.00 3.43 H new ATOM 0 HG13 ILE A 64 -2.271 6.054 2.166 1.00 3.43 H new ATOM 0 HG21 ILE A 64 -0.136 4.816 2.280 1.00 54.55 H new ATOM 0 HG22 ILE A 64 1.153 5.344 3.389 1.00 54.55 H new ATOM 0 HG23 ILE A 64 -0.320 4.582 4.035 1.00 54.55 H new ATOM 0 HD11 ILE A 64 -3.872 5.642 3.969 1.00 45.33 H new ATOM 0 HD12 ILE A 64 -2.404 4.664 4.202 1.00 45.33 H new ATOM 0 HD13 ILE A 64 -2.660 6.132 5.175 1.00 45.33 H new ATOM 970 N SER A 65 1.762 6.601 5.875 1.00 71.21 N ATOM 971 CA SER A 65 3.193 6.638 6.149 1.00 43.25 C ATOM 972 C SER A 65 3.805 5.245 6.027 1.00 4.43 C ATOM 973 O SER A 65 4.874 5.072 5.440 1.00 14.14 O ATOM 974 CB SER A 65 3.453 7.202 7.546 1.00 33.51 C ATOM 975 OG SER A 65 3.474 8.619 7.528 1.00 44.10 O ATOM 0 H SER A 65 1.238 5.949 6.459 1.00 71.21 H new ATOM 0 HA SER A 65 3.662 7.288 5.411 1.00 43.25 H new ATOM 0 HB2 SER A 65 2.680 6.855 8.231 1.00 33.51 H new ATOM 0 HB3 SER A 65 4.404 6.826 7.922 1.00 33.51 H new ATOM 0 HG SER A 65 3.640 8.955 8.433 1.00 44.10 H new ATOM 981 N THR A 66 3.121 4.254 6.589 1.00 73.41 N ATOM 982 CA THR A 66 3.596 2.877 6.546 1.00 24.35 C ATOM 983 C THR A 66 2.662 1.997 5.723 1.00 15.22 C ATOM 984 O THR A 66 1.582 2.431 5.320 1.00 14.00 O ATOM 985 CB THR A 66 3.727 2.284 7.962 1.00 73.44 C ATOM 986 OG1 THR A 66 2.428 2.010 8.500 1.00 33.31 O ATOM 987 CG2 THR A 66 4.472 3.239 8.883 1.00 52.15 C ATOM 0 H THR A 66 2.236 4.379 7.080 1.00 73.41 H new ATOM 0 HA THR A 66 4.579 2.897 6.075 1.00 24.35 H new ATOM 0 HB THR A 66 4.295 1.356 7.892 1.00 73.44 H new ATOM 0 HG1 THR A 66 2.520 1.632 9.399 1.00 33.31 H new ATOM 0 HG21 THR A 66 4.552 2.798 9.877 1.00 52.15 H new ATOM 0 HG22 THR A 66 5.470 3.422 8.486 1.00 52.15 H new ATOM 0 HG23 THR A 66 3.928 4.181 8.947 1.00 52.15 H new ATOM 995 N ILE A 67 3.083 0.761 5.479 1.00 31.12 N ATOM 996 CA ILE A 67 2.281 -0.179 4.705 1.00 30.12 C ATOM 997 C ILE A 67 0.887 -0.335 5.303 1.00 5.41 C ATOM 998 O ILE A 67 -0.114 -0.274 4.590 1.00 31.22 O ATOM 999 CB ILE A 67 2.953 -1.562 4.630 1.00 3.04 C ATOM 1000 CG1 ILE A 67 4.366 -1.437 4.056 1.00 21.31 C ATOM 1001 CG2 ILE A 67 2.117 -2.513 3.787 1.00 72.32 C ATOM 1002 CD1 ILE A 67 4.396 -0.954 2.624 1.00 52.31 C ATOM 0 H ILE A 67 3.974 0.387 5.806 1.00 31.12 H new ATOM 0 HA ILE A 67 2.198 0.231 3.698 1.00 30.12 H new ATOM 0 HB ILE A 67 3.025 -1.969 5.639 1.00 3.04 H new ATOM 0 HG12 ILE A 67 4.941 -0.749 4.675 1.00 21.31 H new ATOM 0 HG13 ILE A 67 4.860 -2.407 4.114 1.00 21.31 H new ATOM 0 HG21 ILE A 67 2.606 -3.486 3.744 1.00 72.32 H new ATOM 0 HG22 ILE A 67 1.129 -2.623 4.234 1.00 72.32 H new ATOM 0 HG23 ILE A 67 2.016 -2.112 2.778 1.00 72.32 H new ATOM 0 HD11 ILE A 67 5.429 -0.889 2.283 1.00 52.31 H new ATOM 0 HD12 ILE A 67 3.849 -1.654 1.992 1.00 52.31 H new ATOM 0 HD13 ILE A 67 3.931 0.030 2.562 1.00 52.31 H new ATOM 1014 N GLN A 68 0.831 -0.535 6.616 1.00 60.01 N ATOM 1015 CA GLN A 68 -0.441 -0.699 7.309 1.00 23.15 C ATOM 1016 C GLN A 68 -1.375 0.471 7.017 1.00 4.35 C ATOM 1017 O GLN A 68 -2.549 0.276 6.704 1.00 3.13 O ATOM 1018 CB GLN A 68 -0.211 -0.820 8.818 1.00 41.32 C ATOM 1019 CG GLN A 68 -0.206 -2.254 9.319 1.00 65.34 C ATOM 1020 CD GLN A 68 -1.578 -2.722 9.762 1.00 70.42 C ATOM 1021 OE1 GLN A 68 -1.842 -2.865 10.957 1.00 42.13 O ATOM 1022 NE2 GLN A 68 -2.460 -2.965 8.800 1.00 70.31 N ATOM 0 H GLN A 68 1.651 -0.587 7.220 1.00 60.01 H new ATOM 0 HA GLN A 68 -0.910 -1.613 6.945 1.00 23.15 H new ATOM 0 HB2 GLN A 68 0.741 -0.352 9.071 1.00 41.32 H new ATOM 0 HB3 GLN A 68 -0.989 -0.264 9.341 1.00 41.32 H new ATOM 0 HG2 GLN A 68 0.160 -2.910 8.529 1.00 65.34 H new ATOM 0 HG3 GLN A 68 0.490 -2.341 10.153 1.00 65.34 H new ATOM 0 HE21 GLN A 68 -2.198 -2.833 7.823 1.00 70.31 H new ATOM 0 HE22 GLN A 68 -3.399 -3.284 9.038 1.00 70.31 H new ATOM 1031 N GLN A 69 -0.845 1.685 7.123 1.00 52.42 N ATOM 1032 CA GLN A 69 -1.632 2.887 6.870 1.00 25.42 C ATOM 1033 C GLN A 69 -2.315 2.814 5.509 1.00 44.05 C ATOM 1034 O GLN A 69 -3.498 3.124 5.380 1.00 32.42 O ATOM 1035 CB GLN A 69 -0.743 4.130 6.943 1.00 22.41 C ATOM 1036 CG GLN A 69 -0.100 4.338 8.305 1.00 53.30 C ATOM 1037 CD GLN A 69 -1.058 4.937 9.317 1.00 24.10 C ATOM 1038 OE1 GLN A 69 -2.177 5.321 8.977 1.00 12.14 O ATOM 1039 NE2 GLN A 69 -0.622 5.017 10.569 1.00 42.10 N ATOM 0 H GLN A 69 0.125 1.863 7.382 1.00 52.42 H new ATOM 0 HA GLN A 69 -2.402 2.955 7.639 1.00 25.42 H new ATOM 0 HB2 GLN A 69 0.040 4.051 6.189 1.00 22.41 H new ATOM 0 HB3 GLN A 69 -1.339 5.008 6.694 1.00 22.41 H new ATOM 0 HG2 GLN A 69 0.267 3.382 8.679 1.00 53.30 H new ATOM 0 HG3 GLN A 69 0.765 4.992 8.198 1.00 53.30 H new ATOM 0 HE21 GLN A 69 0.313 4.686 10.805 1.00 42.10 H new ATOM 0 HE22 GLN A 69 -1.223 5.409 11.294 1.00 42.10 H new ATOM 1048 N ALA A 70 -1.560 2.402 4.495 1.00 30.14 N ATOM 1049 CA ALA A 70 -2.093 2.287 3.144 1.00 31.30 C ATOM 1050 C ALA A 70 -3.057 1.111 3.032 1.00 4.21 C ATOM 1051 O ALA A 70 -3.972 1.123 2.210 1.00 63.43 O ATOM 1052 CB ALA A 70 -0.959 2.141 2.141 1.00 53.15 C ATOM 0 H ALA A 70 -0.578 2.143 4.584 1.00 30.14 H new ATOM 0 HA ALA A 70 -2.647 3.198 2.919 1.00 31.30 H new ATOM 0 HB1 ALA A 70 -1.371 2.056 1.136 1.00 53.15 H new ATOM 0 HB2 ALA A 70 -0.311 3.016 2.195 1.00 53.15 H new ATOM 0 HB3 ALA A 70 -0.381 1.246 2.373 1.00 53.15 H new ATOM 1058 N ALA A 71 -2.844 0.096 3.863 1.00 40.20 N ATOM 1059 CA ALA A 71 -3.694 -1.088 3.858 1.00 33.12 C ATOM 1060 C ALA A 71 -5.049 -0.793 4.493 1.00 41.32 C ATOM 1061 O ALA A 71 -6.076 -1.317 4.059 1.00 12.52 O ATOM 1062 CB ALA A 71 -3.007 -2.235 4.584 1.00 73.10 C ATOM 0 H ALA A 71 -2.089 0.070 4.549 1.00 40.20 H new ATOM 0 HA ALA A 71 -3.863 -1.379 2.821 1.00 33.12 H new ATOM 0 HB1 ALA A 71 -3.654 -3.112 4.572 1.00 73.10 H new ATOM 0 HB2 ALA A 71 -2.067 -2.470 4.085 1.00 73.10 H new ATOM 0 HB3 ALA A 71 -2.808 -1.945 5.616 1.00 73.10 H new ATOM 1068 N ASP A 72 -5.044 0.047 5.522 1.00 61.21 N ATOM 1069 CA ASP A 72 -6.274 0.412 6.216 1.00 4.22 C ATOM 1070 C ASP A 72 -7.218 1.170 5.288 1.00 25.41 C ATOM 1071 O ASP A 72 -8.404 0.852 5.197 1.00 22.54 O ATOM 1072 CB ASP A 72 -5.957 1.262 7.447 1.00 3.33 C ATOM 1073 CG ASP A 72 -4.837 0.675 8.283 1.00 33.22 C ATOM 1074 OD1 ASP A 72 -4.794 -0.564 8.431 1.00 72.32 O ATOM 1075 OD2 ASP A 72 -4.003 1.455 8.792 1.00 62.43 O ATOM 0 H ASP A 72 -4.203 0.488 5.894 1.00 61.21 H new ATOM 0 HA ASP A 72 -6.768 -0.506 6.535 1.00 4.22 H new ATOM 0 HB2 ASP A 72 -5.681 2.267 7.129 1.00 3.33 H new ATOM 0 HB3 ASP A 72 -6.853 1.356 8.060 1.00 3.33 H new ATOM 1080 N VAL A 73 -6.684 2.174 4.601 1.00 70.11 N ATOM 1081 CA VAL A 73 -7.478 2.978 3.679 1.00 34.24 C ATOM 1082 C VAL A 73 -8.153 2.103 2.629 1.00 0.44 C ATOM 1083 O VAL A 73 -9.333 2.282 2.323 1.00 22.33 O ATOM 1084 CB VAL A 73 -6.615 4.039 2.972 1.00 64.20 C ATOM 1085 CG1 VAL A 73 -7.454 4.846 1.994 1.00 60.33 C ATOM 1086 CG2 VAL A 73 -5.947 4.949 3.991 1.00 14.22 C ATOM 0 H VAL A 73 -5.704 2.451 4.665 1.00 70.11 H new ATOM 0 HA VAL A 73 -8.241 3.481 4.273 1.00 34.24 H new ATOM 0 HB VAL A 73 -5.834 3.529 2.408 1.00 64.20 H new ATOM 0 HG11 VAL A 73 -6.826 5.591 1.504 1.00 60.33 H new ATOM 0 HG12 VAL A 73 -7.879 4.180 1.243 1.00 60.33 H new ATOM 0 HG13 VAL A 73 -8.259 5.347 2.532 1.00 60.33 H new ATOM 0 HG21 VAL A 73 -5.341 5.692 3.473 1.00 14.22 H new ATOM 0 HG22 VAL A 73 -6.710 5.452 4.585 1.00 14.22 H new ATOM 0 HG23 VAL A 73 -5.310 4.355 4.647 1.00 14.22 H new ATOM 1096 N ILE A 74 -7.398 1.159 2.080 1.00 2.52 N ATOM 1097 CA ILE A 74 -7.923 0.255 1.063 1.00 34.14 C ATOM 1098 C ILE A 74 -9.076 -0.578 1.612 1.00 5.04 C ATOM 1099 O ILE A 74 -10.154 -0.628 1.023 1.00 42.24 O ATOM 1100 CB ILE A 74 -6.830 -0.689 0.530 1.00 2.24 C ATOM 1101 CG1 ILE A 74 -5.680 0.118 -0.077 1.00 73.53 C ATOM 1102 CG2 ILE A 74 -7.413 -1.647 -0.499 1.00 12.24 C ATOM 1103 CD1 ILE A 74 -4.373 -0.641 -0.132 1.00 43.23 C ATOM 0 H ILE A 74 -6.420 0.999 2.322 1.00 2.52 H new ATOM 0 HA ILE A 74 -8.284 0.877 0.244 1.00 34.14 H new ATOM 0 HB ILE A 74 -6.439 -1.274 1.362 1.00 2.24 H new ATOM 0 HG12 ILE A 74 -5.955 0.425 -1.086 1.00 73.53 H new ATOM 0 HG13 ILE A 74 -5.538 1.028 0.506 1.00 73.53 H new ATOM 0 HG21 ILE A 74 -6.628 -2.308 -0.867 1.00 12.24 H new ATOM 0 HG22 ILE A 74 -8.201 -2.242 -0.037 1.00 12.24 H new ATOM 0 HG23 ILE A 74 -7.828 -1.079 -1.331 1.00 12.24 H new ATOM 0 HD11 ILE A 74 -3.603 -0.008 -0.573 1.00 43.23 H new ATOM 0 HD12 ILE A 74 -4.075 -0.925 0.877 1.00 43.23 H new ATOM 0 HD13 ILE A 74 -4.498 -1.537 -0.739 1.00 43.23 H new ATOM 1115 N GLU A 75 -8.840 -1.229 2.747 1.00 5.12 N ATOM 1116 CA GLU A 75 -9.860 -2.060 3.377 1.00 71.10 C ATOM 1117 C GLU A 75 -11.161 -1.283 3.555 1.00 50.12 C ATOM 1118 O GLU A 75 -12.250 -1.852 3.489 1.00 51.53 O ATOM 1119 CB GLU A 75 -9.369 -2.570 4.733 1.00 2.33 C ATOM 1120 CG GLU A 75 -8.222 -3.562 4.632 1.00 61.21 C ATOM 1121 CD GLU A 75 -8.696 -5.003 4.641 1.00 30.42 C ATOM 1122 OE1 GLU A 75 -9.136 -5.476 5.711 1.00 53.43 O ATOM 1123 OE2 GLU A 75 -8.627 -5.658 3.581 1.00 53.42 O ATOM 0 H GLU A 75 -7.952 -1.197 3.249 1.00 5.12 H new ATOM 0 HA GLU A 75 -10.051 -2.912 2.724 1.00 71.10 H new ATOM 0 HB2 GLU A 75 -9.051 -1.721 5.338 1.00 2.33 H new ATOM 0 HB3 GLU A 75 -10.200 -3.041 5.257 1.00 2.33 H new ATOM 0 HG2 GLU A 75 -7.662 -3.373 3.716 1.00 61.21 H new ATOM 0 HG3 GLU A 75 -7.535 -3.404 5.463 1.00 61.21 H new ATOM 1130 N GLY A 76 -11.039 0.021 3.780 1.00 54.12 N ATOM 1131 CA GLY A 76 -12.212 0.855 3.965 1.00 52.01 C ATOM 1132 C GLY A 76 -13.156 0.799 2.780 1.00 64.13 C ATOM 1133 O GLY A 76 -14.373 0.893 2.941 1.00 40.53 O ATOM 0 H GLY A 76 -10.149 0.515 3.838 1.00 54.12 H new ATOM 0 HA2 GLY A 76 -12.742 0.537 4.863 1.00 52.01 H new ATOM 0 HA3 GLY A 76 -11.899 1.886 4.128 1.00 52.01 H new ATOM 1137 N LEU A 77 -12.594 0.645 1.585 1.00 55.00 N ATOM 1138 CA LEU A 77 -13.395 0.578 0.367 1.00 3.04 C ATOM 1139 C LEU A 77 -13.990 -0.814 0.184 1.00 71.00 C ATOM 1140 O LEU A 77 -15.140 -0.959 -0.234 1.00 10.22 O ATOM 1141 CB LEU A 77 -12.540 0.944 -0.848 1.00 33.43 C ATOM 1142 CG LEU A 77 -11.792 2.275 -0.766 1.00 12.30 C ATOM 1143 CD1 LEU A 77 -10.662 2.316 -1.783 1.00 71.30 C ATOM 1144 CD2 LEU A 77 -12.748 3.439 -0.982 1.00 23.22 C ATOM 0 H LEU A 77 -11.588 0.564 1.434 1.00 55.00 H new ATOM 0 HA LEU A 77 -14.212 1.293 0.458 1.00 3.04 H new ATOM 0 HB2 LEU A 77 -11.811 0.150 -1.007 1.00 33.43 H new ATOM 0 HB3 LEU A 77 -13.184 0.966 -1.727 1.00 33.43 H new ATOM 0 HG LEU A 77 -11.360 2.366 0.231 1.00 12.30 H new ATOM 0 HD11 LEU A 77 -10.141 3.271 -1.710 1.00 71.30 H new ATOM 0 HD12 LEU A 77 -9.962 1.505 -1.582 1.00 71.30 H new ATOM 0 HD13 LEU A 77 -11.072 2.202 -2.787 1.00 71.30 H new ATOM 0 HD21 LEU A 77 -12.198 4.378 -0.920 1.00 23.22 H new ATOM 0 HD22 LEU A 77 -13.210 3.353 -1.966 1.00 23.22 H new ATOM 0 HD23 LEU A 77 -13.522 3.421 -0.215 1.00 23.22 H new ATOM 1156 N LEU A 78 -13.202 -1.836 0.499 1.00 32.15 N ATOM 1157 CA LEU A 78 -13.653 -3.217 0.372 1.00 24.32 C ATOM 1158 C LEU A 78 -14.994 -3.420 1.070 1.00 43.44 C ATOM 1159 O LEU A 78 -15.839 -4.181 0.601 1.00 31.01 O ATOM 1160 CB LEU A 78 -12.611 -4.170 0.959 1.00 2.14 C ATOM 1161 CG LEU A 78 -11.483 -4.596 0.017 1.00 12.04 C ATOM 1162 CD1 LEU A 78 -11.977 -5.644 -0.967 1.00 30.55 C ATOM 1163 CD2 LEU A 78 -10.923 -3.389 -0.722 1.00 60.45 C ATOM 0 H LEU A 78 -12.248 -1.734 0.844 1.00 32.15 H new ATOM 0 HA LEU A 78 -13.780 -3.435 -0.688 1.00 24.32 H new ATOM 0 HB2 LEU A 78 -12.167 -3.696 1.834 1.00 2.14 H new ATOM 0 HB3 LEU A 78 -13.124 -5.066 1.308 1.00 2.14 H new ATOM 0 HG LEU A 78 -10.683 -5.036 0.613 1.00 12.04 H new ATOM 0 HD11 LEU A 78 -11.161 -5.935 -1.629 1.00 30.55 H new ATOM 0 HD12 LEU A 78 -12.330 -6.518 -0.420 1.00 30.55 H new ATOM 0 HD13 LEU A 78 -12.794 -5.231 -1.558 1.00 30.55 H new ATOM 0 HD21 LEU A 78 -10.122 -3.710 -1.388 1.00 60.45 H new ATOM 0 HD22 LEU A 78 -11.715 -2.921 -1.307 1.00 60.45 H new ATOM 0 HD23 LEU A 78 -10.531 -2.671 -0.002 1.00 60.45 H new ATOM 1175 N GLU A 79 -15.182 -2.731 2.191 1.00 41.31 N ATOM 1176 CA GLU A 79 -16.421 -2.835 2.952 1.00 14.01 C ATOM 1177 C GLU A 79 -17.580 -2.190 2.195 1.00 45.30 C ATOM 1178 O GLU A 79 -18.713 -2.670 2.246 1.00 12.53 O ATOM 1179 CB GLU A 79 -16.262 -2.173 4.322 1.00 1.25 C ATOM 1180 CG GLU A 79 -15.148 -2.774 5.163 1.00 11.41 C ATOM 1181 CD GLU A 79 -15.189 -2.308 6.605 1.00 54.24 C ATOM 1182 OE1 GLU A 79 -16.298 -2.244 7.176 1.00 43.20 O ATOM 1183 OE2 GLU A 79 -14.113 -2.007 7.162 1.00 5.04 O ATOM 0 H GLU A 79 -14.492 -2.095 2.592 1.00 41.31 H new ATOM 0 HA GLU A 79 -16.644 -3.893 3.092 1.00 14.01 H new ATOM 0 HB2 GLU A 79 -16.067 -1.110 4.182 1.00 1.25 H new ATOM 0 HB3 GLU A 79 -17.202 -2.255 4.867 1.00 1.25 H new ATOM 0 HG2 GLU A 79 -15.222 -3.861 5.134 1.00 11.41 H new ATOM 0 HG3 GLU A 79 -14.185 -2.509 4.727 1.00 11.41 H new ATOM 1190 N LYS A 80 -17.287 -1.099 1.495 1.00 24.31 N ATOM 1191 CA LYS A 80 -18.302 -0.388 0.727 1.00 42.42 C ATOM 1192 C LYS A 80 -18.951 -1.309 -0.302 1.00 21.14 C ATOM 1193 O LYS A 80 -20.156 -1.237 -0.540 1.00 73.44 O ATOM 1194 CB LYS A 80 -17.683 0.822 0.024 1.00 42.05 C ATOM 1195 CG LYS A 80 -18.688 1.652 -0.755 1.00 52.40 C ATOM 1196 CD LYS A 80 -18.086 2.969 -1.217 1.00 22.25 C ATOM 1197 CE LYS A 80 -19.140 3.883 -1.823 1.00 60.03 C ATOM 1198 NZ LYS A 80 -18.544 4.869 -2.767 1.00 25.23 N ATOM 0 H LYS A 80 -16.355 -0.688 1.444 1.00 24.31 H new ATOM 0 HA LYS A 80 -19.072 -0.046 1.419 1.00 42.42 H new ATOM 0 HB2 LYS A 80 -17.200 1.456 0.768 1.00 42.05 H new ATOM 0 HB3 LYS A 80 -16.904 0.477 -0.656 1.00 42.05 H new ATOM 0 HG2 LYS A 80 -19.035 1.087 -1.620 1.00 52.40 H new ATOM 0 HG3 LYS A 80 -19.560 1.849 -0.131 1.00 52.40 H new ATOM 0 HD2 LYS A 80 -17.612 3.469 -0.373 1.00 22.25 H new ATOM 0 HD3 LYS A 80 -17.305 2.775 -1.952 1.00 22.25 H new ATOM 0 HE2 LYS A 80 -19.883 3.282 -2.347 1.00 60.03 H new ATOM 0 HE3 LYS A 80 -19.662 4.413 -1.026 1.00 60.03 H new ATOM 0 HZ1 LYS A 80 -19.295 5.473 -3.158 1.00 25.23 H new ATOM 0 HZ2 LYS A 80 -17.853 5.460 -2.262 1.00 25.23 H new ATOM 0 HZ3 LYS A 80 -18.067 4.364 -3.541 1.00 25.23 H new ATOM 1212 N LYS A 81 -18.145 -2.175 -0.905 1.00 63.34 N ATOM 1213 CA LYS A 81 -18.641 -3.113 -1.905 1.00 44.15 C ATOM 1214 C LYS A 81 -19.105 -4.411 -1.252 1.00 73.42 C ATOM 1215 O LYS A 81 -20.058 -5.041 -1.710 1.00 5.21 O ATOM 1216 CB LYS A 81 -17.553 -3.412 -2.939 1.00 22.11 C ATOM 1217 CG LYS A 81 -16.272 -3.958 -2.332 1.00 2.31 C ATOM 1218 CD LYS A 81 -15.236 -4.267 -3.400 1.00 53.44 C ATOM 1219 CE LYS A 81 -14.769 -3.002 -4.107 1.00 63.21 C ATOM 1220 NZ LYS A 81 -14.265 -1.984 -3.144 1.00 53.41 N ATOM 0 H LYS A 81 -17.145 -2.247 -0.719 1.00 63.34 H new ATOM 0 HA LYS A 81 -19.493 -2.653 -2.405 1.00 44.15 H new ATOM 0 HB2 LYS A 81 -17.938 -4.131 -3.662 1.00 22.11 H new ATOM 0 HB3 LYS A 81 -17.325 -2.499 -3.488 1.00 22.11 H new ATOM 0 HG2 LYS A 81 -15.864 -3.233 -1.627 1.00 2.31 H new ATOM 0 HG3 LYS A 81 -16.493 -4.863 -1.766 1.00 2.31 H new ATOM 0 HD2 LYS A 81 -14.381 -4.768 -2.945 1.00 53.44 H new ATOM 0 HD3 LYS A 81 -15.659 -4.958 -4.129 1.00 53.44 H new ATOM 0 HE2 LYS A 81 -13.981 -3.252 -4.817 1.00 63.21 H new ATOM 0 HE3 LYS A 81 -15.594 -2.581 -4.682 1.00 63.21 H new ATOM 0 HZ1 LYS A 81 -14.020 -1.113 -3.656 1.00 53.41 H new ATOM 0 HZ2 LYS A 81 -15.003 -1.776 -2.441 1.00 53.41 H new ATOM 0 HZ3 LYS A 81 -13.420 -2.351 -2.661 1.00 53.41 H new ATOM 1234 N ALA A 82 -18.427 -4.803 -0.178 1.00 53.32 N ATOM 1235 CA ALA A 82 -18.773 -6.024 0.540 1.00 11.45 C ATOM 1236 C ALA A 82 -19.254 -5.710 1.953 1.00 72.43 C ATOM 1237 O ALA A 82 -18.454 -5.613 2.885 1.00 55.21 O ATOM 1238 CB ALA A 82 -17.580 -6.966 0.584 1.00 11.15 C ATOM 0 H ALA A 82 -17.635 -4.293 0.214 1.00 53.32 H new ATOM 0 HA ALA A 82 -19.588 -6.513 0.006 1.00 11.45 H new ATOM 0 HB1 ALA A 82 -17.853 -7.873 1.123 1.00 11.15 H new ATOM 0 HB2 ALA A 82 -17.282 -7.223 -0.432 1.00 11.15 H new ATOM 0 HB3 ALA A 82 -16.749 -6.477 1.093 1.00 11.15 H new TER 1244 ALA A 82