USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 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 16 LYS NZ :NH3+ -107:sc= 1.06 (180deg=-0.715) USER MOD Set 1.2: A 47 ASN : amide:sc= 0 K(o=1.1,f=0.21) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.2: A 29 SER OG : rot 103:sc= 1.27 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 14 LYS NZ :NH3+ -138:sc= -0.783 (180deg=-2.13!) USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0.419 (180deg=0.387) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.591 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.101 (180deg=-0.551) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.415 USER MOD Single : A 46 MET CE :methyl 151:sc= -0.241 (180deg=-1.24) USER MOD Single : A 55 ASN : amide:sc= -0.7 X(o=-0.7,f=-0.24) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0293) USER MOD Single : A 62 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.15) USER MOD Single : A 65 SER OG : rot 61:sc= 0.00529 USER MOD Single : A 66 THR OG1 : rot 144:sc= 1.18 USER MOD Single : A 68 GLN : amide:sc= -7.1! K(o=-7.1!,f=-2.9) USER MOD Single : A 69 GLN : amide:sc= -0.655 K(o=-0.65,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.926 -2.842 9.491 1.00 0.00 N ATOM 2 CA ALA A 1 -6.535 -3.708 8.386 1.00 71.14 C ATOM 3 C ALA A 1 -6.293 -5.136 8.865 1.00 21.15 C ATOM 4 O ALA A 1 -6.177 -5.387 10.066 1.00 71.14 O ATOM 5 CB ALA A 1 -5.292 -3.162 7.700 1.00 12.20 C ATOM 0 H1 ALA A 1 -6.936 -1.853 9.170 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.875 -3.108 9.822 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.246 -2.946 10.271 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.354 -3.728 7.667 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.012 -3.820 6.877 1.00 12.20 H new ATOM 0 HB2 ALA A 1 -5.499 -2.164 7.313 1.00 12.20 H new ATOM 0 HB3 ALA A 1 -4.473 -3.111 8.418 1.00 12.20 H new ATOM 11 N LYS A 2 -6.216 -6.068 7.922 1.00 50.21 N ATOM 12 CA LYS A 2 -5.987 -7.470 8.248 1.00 52.52 C ATOM 13 C LYS A 2 -4.622 -7.929 7.746 1.00 44.11 C ATOM 14 O LYS A 2 -4.074 -7.362 6.799 1.00 71.45 O ATOM 15 CB LYS A 2 -7.086 -8.343 7.638 1.00 62.35 C ATOM 16 CG LYS A 2 -7.389 -8.014 6.186 1.00 24.34 C ATOM 17 CD LYS A 2 -8.665 -7.200 6.055 1.00 50.43 C ATOM 18 CE LYS A 2 -9.899 -8.088 6.091 1.00 33.14 C ATOM 19 NZ LYS A 2 -10.157 -8.735 4.776 1.00 23.23 N ATOM 0 H LYS A 2 -6.309 -5.877 6.924 1.00 50.21 H new ATOM 0 HA LYS A 2 -6.010 -7.573 9.333 1.00 52.52 H new ATOM 0 HB2 LYS A 2 -6.789 -9.389 7.710 1.00 62.35 H new ATOM 0 HB3 LYS A 2 -7.997 -8.229 8.225 1.00 62.35 H new ATOM 0 HG2 LYS A 2 -6.556 -7.458 5.756 1.00 24.34 H new ATOM 0 HG3 LYS A 2 -7.485 -8.937 5.615 1.00 24.34 H new ATOM 0 HD2 LYS A 2 -8.717 -6.470 6.863 1.00 50.43 H new ATOM 0 HD3 LYS A 2 -8.646 -6.640 5.120 1.00 50.43 H new ATOM 0 HE2 LYS A 2 -9.771 -8.856 6.854 1.00 33.14 H new ATOM 0 HE3 LYS A 2 -10.766 -7.493 6.379 1.00 33.14 H new ATOM 0 HZ1 LYS A 2 -11.006 -9.331 4.843 1.00 23.23 H new ATOM 0 HZ2 LYS A 2 -10.304 -8.003 4.052 1.00 23.23 H new ATOM 0 HZ3 LYS A 2 -9.341 -9.323 4.513 1.00 23.23 H new ATOM 33 N LYS A 3 -4.076 -8.958 8.385 1.00 41.43 N ATOM 34 CA LYS A 3 -2.776 -9.496 8.002 1.00 2.52 C ATOM 35 C LYS A 3 -2.760 -9.882 6.527 1.00 61.13 C ATOM 36 O LYS A 3 -1.708 -9.892 5.890 1.00 4.10 O ATOM 37 CB LYS A 3 -2.430 -10.713 8.863 1.00 55.32 C ATOM 38 CG LYS A 3 -3.486 -11.803 8.826 1.00 32.22 C ATOM 39 CD LYS A 3 -4.392 -11.744 10.046 1.00 44.42 C ATOM 40 CE LYS A 3 -4.957 -13.114 10.387 1.00 31.21 C ATOM 41 NZ LYS A 3 -4.027 -13.899 11.246 1.00 0.04 N ATOM 0 H LYS A 3 -4.514 -9.437 9.172 1.00 41.43 H new ATOM 0 HA LYS A 3 -2.028 -8.720 8.164 1.00 2.52 H new ATOM 0 HB2 LYS A 3 -1.480 -11.128 8.526 1.00 55.32 H new ATOM 0 HB3 LYS A 3 -2.289 -10.390 9.894 1.00 55.32 H new ATOM 0 HG2 LYS A 3 -4.085 -11.700 7.921 1.00 32.22 H new ATOM 0 HG3 LYS A 3 -3.002 -12.778 8.778 1.00 32.22 H new ATOM 0 HD2 LYS A 3 -3.832 -11.358 10.898 1.00 44.42 H new ATOM 0 HD3 LYS A 3 -5.210 -11.048 9.860 1.00 44.42 H new ATOM 0 HE2 LYS A 3 -5.912 -12.996 10.899 1.00 31.21 H new ATOM 0 HE3 LYS A 3 -5.154 -13.665 9.467 1.00 31.21 H new ATOM 0 HZ1 LYS A 3 -4.448 -14.826 11.456 1.00 0.04 H new ATOM 0 HZ2 LYS A 3 -3.124 -14.034 10.748 1.00 0.04 H new ATOM 0 HZ3 LYS A 3 -3.859 -13.386 12.135 1.00 0.04 H new ATOM 55 N GLU A 4 -3.934 -10.200 5.990 1.00 32.12 N ATOM 56 CA GLU A 4 -4.054 -10.587 4.589 1.00 33.12 C ATOM 57 C GLU A 4 -3.838 -9.385 3.673 1.00 63.12 C ATOM 58 O GLU A 4 -3.029 -9.435 2.745 1.00 40.23 O ATOM 59 CB GLU A 4 -5.428 -11.205 4.323 1.00 33.12 C ATOM 60 CG GLU A 4 -5.552 -12.642 4.799 1.00 1.30 C ATOM 61 CD GLU A 4 -5.099 -13.643 3.754 1.00 44.25 C ATOM 62 OE1 GLU A 4 -5.479 -13.483 2.575 1.00 73.51 O ATOM 63 OE2 GLU A 4 -4.364 -14.587 4.113 1.00 22.45 O ATOM 0 H GLU A 4 -4.815 -10.197 6.504 1.00 32.12 H new ATOM 0 HA GLU A 4 -3.284 -11.328 4.376 1.00 33.12 H new ATOM 0 HB2 GLU A 4 -6.190 -10.601 4.816 1.00 33.12 H new ATOM 0 HB3 GLU A 4 -5.633 -11.167 3.253 1.00 33.12 H new ATOM 0 HG2 GLU A 4 -4.959 -12.774 5.704 1.00 1.30 H new ATOM 0 HG3 GLU A 4 -6.589 -12.845 5.065 1.00 1.30 H new ATOM 70 N THR A 5 -4.567 -8.307 3.939 1.00 21.00 N ATOM 71 CA THR A 5 -4.458 -7.094 3.138 1.00 31.13 C ATOM 72 C THR A 5 -3.023 -6.581 3.110 1.00 64.23 C ATOM 73 O THR A 5 -2.506 -6.215 2.054 1.00 40.40 O ATOM 74 CB THR A 5 -5.377 -5.981 3.676 1.00 33.21 C ATOM 75 OG1 THR A 5 -6.741 -6.415 3.644 1.00 15.30 O ATOM 76 CG2 THR A 5 -5.224 -4.709 2.856 1.00 41.45 C ATOM 0 H THR A 5 -5.240 -8.249 4.703 1.00 21.00 H new ATOM 0 HA THR A 5 -4.768 -7.355 2.126 1.00 31.13 H new ATOM 0 HB THR A 5 -5.088 -5.767 4.705 1.00 33.21 H new ATOM 0 HG1 THR A 5 -7.333 -5.635 3.676 1.00 15.30 H new ATOM 0 HG21 THR A 5 -5.883 -3.938 3.255 1.00 41.45 H new ATOM 0 HG22 THR A 5 -4.191 -4.366 2.907 1.00 41.45 H new ATOM 0 HG23 THR A 5 -5.489 -4.911 1.818 1.00 41.45 H new ATOM 84 N ILE A 6 -2.383 -6.560 4.274 1.00 1.13 N ATOM 85 CA ILE A 6 -1.006 -6.095 4.381 1.00 2.12 C ATOM 86 C ILE A 6 -0.095 -6.851 3.421 1.00 4.31 C ATOM 87 O ILE A 6 0.798 -6.267 2.806 1.00 53.14 O ATOM 88 CB ILE A 6 -0.467 -6.253 5.815 1.00 34.11 C ATOM 89 CG1 ILE A 6 -1.356 -5.493 6.803 1.00 71.33 C ATOM 90 CG2 ILE A 6 0.969 -5.759 5.899 1.00 65.51 C ATOM 91 CD1 ILE A 6 -1.131 -5.890 8.245 1.00 11.34 C ATOM 0 H ILE A 6 -2.796 -6.860 5.157 1.00 1.13 H new ATOM 0 HA ILE A 6 -1.009 -5.037 4.118 1.00 2.12 H new ATOM 0 HB ILE A 6 -0.482 -7.310 6.079 1.00 34.11 H new ATOM 0 HG12 ILE A 6 -1.173 -4.424 6.696 1.00 71.33 H new ATOM 0 HG13 ILE A 6 -2.401 -5.665 6.546 1.00 71.33 H new ATOM 0 HG21 ILE A 6 1.335 -5.877 6.919 1.00 65.51 H new ATOM 0 HG22 ILE A 6 1.594 -6.339 5.219 1.00 65.51 H new ATOM 0 HG23 ILE A 6 1.009 -4.706 5.619 1.00 65.51 H new ATOM 0 HD11 ILE A 6 -1.794 -5.312 8.889 1.00 11.34 H new ATOM 0 HD12 ILE A 6 -1.342 -6.952 8.367 1.00 11.34 H new ATOM 0 HD13 ILE A 6 -0.095 -5.692 8.519 1.00 11.34 H new ATOM 103 N ASP A 7 -0.325 -8.154 3.298 1.00 50.14 N ATOM 104 CA ASP A 7 0.474 -8.991 2.411 1.00 41.41 C ATOM 105 C ASP A 7 0.228 -8.626 0.950 1.00 53.01 C ATOM 106 O ASP A 7 1.145 -8.649 0.129 1.00 52.14 O ATOM 107 CB ASP A 7 0.152 -10.469 2.641 1.00 52.52 C ATOM 108 CG ASP A 7 0.778 -11.007 3.912 1.00 11.33 C ATOM 109 OD1 ASP A 7 1.129 -10.192 4.792 1.00 75.23 O ATOM 110 OD2 ASP A 7 0.917 -12.242 4.028 1.00 3.10 O ATOM 0 H ASP A 7 -1.058 -8.653 3.802 1.00 50.14 H new ATOM 0 HA ASP A 7 1.526 -8.816 2.638 1.00 41.41 H new ATOM 0 HB2 ASP A 7 -0.929 -10.599 2.689 1.00 52.52 H new ATOM 0 HB3 ASP A 7 0.506 -11.052 1.790 1.00 52.52 H new ATOM 115 N LYS A 8 -1.018 -8.288 0.632 1.00 4.02 N ATOM 116 CA LYS A 8 -1.387 -7.918 -0.728 1.00 55.34 C ATOM 117 C LYS A 8 -0.719 -6.608 -1.136 1.00 14.54 C ATOM 118 O LYS A 8 -0.030 -6.540 -2.154 1.00 75.33 O ATOM 119 CB LYS A 8 -2.907 -7.786 -0.849 1.00 63.31 C ATOM 120 CG LYS A 8 -3.668 -8.962 -0.261 1.00 3.32 C ATOM 121 CD LYS A 8 -4.890 -9.309 -1.095 1.00 20.11 C ATOM 122 CE LYS A 8 -4.497 -9.912 -2.435 1.00 31.23 C ATOM 123 NZ LYS A 8 -4.466 -11.400 -2.385 1.00 42.00 N ATOM 0 H LYS A 8 -1.789 -8.263 1.299 1.00 4.02 H new ATOM 0 HA LYS A 8 -1.042 -8.706 -1.398 1.00 55.34 H new ATOM 0 HB2 LYS A 8 -3.225 -6.871 -0.349 1.00 63.31 H new ATOM 0 HB3 LYS A 8 -3.172 -7.682 -1.901 1.00 63.31 H new ATOM 0 HG2 LYS A 8 -3.010 -9.829 -0.200 1.00 3.32 H new ATOM 0 HG3 LYS A 8 -3.977 -8.724 0.757 1.00 3.32 H new ATOM 0 HD2 LYS A 8 -5.517 -10.013 -0.548 1.00 20.11 H new ATOM 0 HD3 LYS A 8 -5.486 -8.412 -1.259 1.00 20.11 H new ATOM 0 HE2 LYS A 8 -5.203 -9.589 -3.200 1.00 31.23 H new ATOM 0 HE3 LYS A 8 -3.516 -9.538 -2.728 1.00 31.23 H new ATOM 0 HZ1 LYS A 8 -4.194 -11.773 -3.317 1.00 42.00 H new ATOM 0 HZ2 LYS A 8 -3.774 -11.709 -1.673 1.00 42.00 H new ATOM 0 HZ3 LYS A 8 -5.408 -11.758 -2.130 1.00 42.00 H new ATOM 137 N VAL A 9 -0.927 -5.569 -0.333 1.00 4.23 N ATOM 138 CA VAL A 9 -0.342 -4.262 -0.609 1.00 21.14 C ATOM 139 C VAL A 9 1.181 -4.330 -0.612 1.00 64.35 C ATOM 140 O VAL A 9 1.828 -3.944 -1.586 1.00 14.44 O ATOM 141 CB VAL A 9 -0.795 -3.215 0.428 1.00 65.14 C ATOM 142 CG1 VAL A 9 -0.326 -1.826 0.023 1.00 54.41 C ATOM 143 CG2 VAL A 9 -2.307 -3.249 0.593 1.00 4.20 C ATOM 0 H VAL A 9 -1.496 -5.607 0.513 1.00 4.23 H new ATOM 0 HA VAL A 9 -0.691 -3.961 -1.597 1.00 21.14 H new ATOM 0 HB VAL A 9 -0.342 -3.460 1.389 1.00 65.14 H new ATOM 0 HG11 VAL A 9 -0.655 -1.100 0.766 1.00 54.41 H new ATOM 0 HG12 VAL A 9 0.762 -1.813 -0.040 1.00 54.41 H new ATOM 0 HG13 VAL A 9 -0.749 -1.568 -0.948 1.00 54.41 H new ATOM 0 HG21 VAL A 9 -2.610 -2.504 1.329 1.00 4.20 H new ATOM 0 HG22 VAL A 9 -2.782 -3.029 -0.363 1.00 4.20 H new ATOM 0 HG23 VAL A 9 -2.614 -4.239 0.932 1.00 4.20 H new ATOM 153 N SER A 10 1.748 -4.827 0.482 1.00 2.55 N ATOM 154 CA SER A 10 3.197 -4.943 0.606 1.00 2.03 C ATOM 155 C SER A 10 3.788 -5.677 -0.594 1.00 14.21 C ATOM 156 O SER A 10 4.796 -5.254 -1.160 1.00 32.44 O ATOM 157 CB SER A 10 3.562 -5.678 1.898 1.00 51.13 C ATOM 158 OG SER A 10 4.905 -5.419 2.269 1.00 62.54 O ATOM 0 H SER A 10 1.227 -5.156 1.295 1.00 2.55 H new ATOM 0 HA SER A 10 3.616 -3.937 0.637 1.00 2.03 H new ATOM 0 HB2 SER A 10 2.893 -5.365 2.700 1.00 51.13 H new ATOM 0 HB3 SER A 10 3.419 -6.750 1.763 1.00 51.13 H new ATOM 0 HG SER A 10 5.114 -5.898 3.098 1.00 62.54 H new ATOM 164 N ASP A 11 3.152 -6.779 -0.977 1.00 25.03 N ATOM 165 CA ASP A 11 3.613 -7.572 -2.110 1.00 60.33 C ATOM 166 C ASP A 11 3.830 -6.692 -3.337 1.00 61.32 C ATOM 167 O ASP A 11 4.819 -6.845 -4.055 1.00 3.11 O ATOM 168 CB ASP A 11 2.604 -8.677 -2.430 1.00 53.54 C ATOM 169 CG ASP A 11 2.937 -9.984 -1.740 1.00 63.52 C ATOM 170 OD1 ASP A 11 3.790 -9.972 -0.828 1.00 34.31 O ATOM 171 OD2 ASP A 11 2.346 -11.020 -2.112 1.00 4.30 O ATOM 0 H ASP A 11 2.316 -7.143 -0.519 1.00 25.03 H new ATOM 0 HA ASP A 11 4.566 -8.028 -1.840 1.00 60.33 H new ATOM 0 HB2 ASP A 11 1.608 -8.354 -2.128 1.00 53.54 H new ATOM 0 HB3 ASP A 11 2.574 -8.836 -3.508 1.00 53.54 H new ATOM 176 N ILE A 12 2.900 -5.774 -3.571 1.00 2.43 N ATOM 177 CA ILE A 12 2.990 -4.870 -4.711 1.00 4.43 C ATOM 178 C ILE A 12 3.966 -3.731 -4.434 1.00 60.21 C ATOM 179 O ILE A 12 4.713 -3.309 -5.318 1.00 63.43 O ATOM 180 CB ILE A 12 1.615 -4.276 -5.070 1.00 51.01 C ATOM 181 CG1 ILE A 12 0.621 -5.394 -5.393 1.00 4.13 C ATOM 182 CG2 ILE A 12 1.741 -3.317 -6.243 1.00 43.54 C ATOM 183 CD1 ILE A 12 -0.737 -5.196 -4.759 1.00 11.11 C ATOM 0 H ILE A 12 2.075 -5.636 -2.987 1.00 2.43 H new ATOM 0 HA ILE A 12 3.352 -5.460 -5.553 1.00 4.43 H new ATOM 0 HB ILE A 12 1.241 -3.719 -4.211 1.00 51.01 H new ATOM 0 HG12 ILE A 12 0.502 -5.462 -6.474 1.00 4.13 H new ATOM 0 HG13 ILE A 12 1.035 -6.345 -5.057 1.00 4.13 H new ATOM 0 HG21 ILE A 12 0.761 -2.906 -6.484 1.00 43.54 H new ATOM 0 HG22 ILE A 12 2.419 -2.506 -5.979 1.00 43.54 H new ATOM 0 HG23 ILE A 12 2.133 -3.851 -7.109 1.00 43.54 H new ATOM 0 HD11 ILE A 12 -1.390 -6.026 -5.031 1.00 11.11 H new ATOM 0 HD12 ILE A 12 -0.630 -5.158 -3.675 1.00 11.11 H new ATOM 0 HD13 ILE A 12 -1.171 -4.261 -5.114 1.00 11.11 H new ATOM 195 N VAL A 13 3.956 -3.237 -3.200 1.00 24.13 N ATOM 196 CA VAL A 13 4.843 -2.150 -2.805 1.00 14.32 C ATOM 197 C VAL A 13 6.305 -2.534 -2.997 1.00 23.44 C ATOM 198 O VAL A 13 7.054 -1.850 -3.695 1.00 34.44 O ATOM 199 CB VAL A 13 4.617 -1.748 -1.335 1.00 13.41 C ATOM 200 CG1 VAL A 13 5.587 -0.649 -0.927 1.00 22.21 C ATOM 201 CG2 VAL A 13 3.177 -1.306 -1.118 1.00 65.24 C ATOM 0 H VAL A 13 3.343 -3.573 -2.457 1.00 24.13 H new ATOM 0 HA VAL A 13 4.608 -1.301 -3.447 1.00 14.32 H new ATOM 0 HB VAL A 13 4.805 -2.618 -0.706 1.00 13.41 H new ATOM 0 HG11 VAL A 13 5.413 -0.378 0.114 1.00 22.21 H new ATOM 0 HG12 VAL A 13 6.610 -1.006 -1.043 1.00 22.21 H new ATOM 0 HG13 VAL A 13 5.434 0.225 -1.560 1.00 22.21 H new ATOM 0 HG21 VAL A 13 3.036 -1.026 -0.074 1.00 65.24 H new ATOM 0 HG22 VAL A 13 2.959 -0.450 -1.756 1.00 65.24 H new ATOM 0 HG23 VAL A 13 2.503 -2.126 -1.368 1.00 65.24 H new ATOM 211 N LYS A 14 6.707 -3.637 -2.373 1.00 4.33 N ATOM 212 CA LYS A 14 8.080 -4.117 -2.475 1.00 4.34 C ATOM 213 C LYS A 14 8.451 -4.401 -3.927 1.00 21.45 C ATOM 214 O LYS A 14 9.606 -4.252 -4.322 1.00 62.20 O ATOM 215 CB LYS A 14 8.265 -5.381 -1.633 1.00 70.23 C ATOM 216 CG LYS A 14 7.591 -6.608 -2.222 1.00 55.14 C ATOM 217 CD LYS A 14 6.998 -7.493 -1.140 1.00 24.53 C ATOM 218 CE LYS A 14 8.063 -7.962 -0.160 1.00 34.43 C ATOM 219 NZ LYS A 14 7.808 -7.458 1.219 1.00 14.42 N ATOM 0 H LYS A 14 6.101 -4.215 -1.791 1.00 4.33 H new ATOM 0 HA LYS A 14 8.740 -3.337 -2.096 1.00 4.34 H new ATOM 0 HB2 LYS A 14 9.331 -5.581 -1.522 1.00 70.23 H new ATOM 0 HB3 LYS A 14 7.868 -5.203 -0.634 1.00 70.23 H new ATOM 0 HG2 LYS A 14 6.805 -6.297 -2.910 1.00 55.14 H new ATOM 0 HG3 LYS A 14 8.316 -7.178 -2.803 1.00 55.14 H new ATOM 0 HD2 LYS A 14 6.224 -6.945 -0.603 1.00 24.53 H new ATOM 0 HD3 LYS A 14 6.517 -8.357 -1.598 1.00 24.53 H new ATOM 0 HE2 LYS A 14 8.092 -9.052 -0.149 1.00 34.43 H new ATOM 0 HE3 LYS A 14 9.042 -7.620 -0.496 1.00 34.43 H new ATOM 0 HZ1 LYS A 14 8.704 -7.146 1.646 1.00 14.42 H new ATOM 0 HZ2 LYS A 14 7.146 -6.657 1.179 1.00 14.42 H new ATOM 0 HZ3 LYS A 14 7.397 -8.219 1.796 1.00 14.42 H new ATOM 233 N GLU A 15 7.462 -4.809 -4.716 1.00 61.22 N ATOM 234 CA GLU A 15 7.685 -5.113 -6.125 1.00 20.52 C ATOM 235 C GLU A 15 7.942 -3.838 -6.922 1.00 64.03 C ATOM 236 O GLU A 15 8.675 -3.848 -7.912 1.00 34.33 O ATOM 237 CB GLU A 15 6.481 -5.858 -6.705 1.00 64.32 C ATOM 238 CG GLU A 15 6.809 -6.667 -7.949 1.00 62.44 C ATOM 239 CD GLU A 15 7.392 -8.029 -7.622 1.00 63.15 C ATOM 240 OE1 GLU A 15 7.069 -8.570 -6.544 1.00 13.14 O ATOM 241 OE2 GLU A 15 8.171 -8.553 -8.446 1.00 52.23 O ATOM 0 H GLU A 15 6.499 -4.937 -4.404 1.00 61.22 H new ATOM 0 HA GLU A 15 8.566 -5.750 -6.199 1.00 20.52 H new ATOM 0 HB2 GLU A 15 6.076 -6.525 -5.944 1.00 64.32 H new ATOM 0 HB3 GLU A 15 5.700 -5.137 -6.946 1.00 64.32 H new ATOM 0 HG2 GLU A 15 5.904 -6.796 -8.543 1.00 62.44 H new ATOM 0 HG3 GLU A 15 7.517 -6.111 -8.563 1.00 62.44 H new ATOM 248 N LYS A 16 7.332 -2.741 -6.485 1.00 65.24 N ATOM 249 CA LYS A 16 7.494 -1.457 -7.156 1.00 41.45 C ATOM 250 C LYS A 16 8.782 -0.770 -6.713 1.00 51.53 C ATOM 251 O LYS A 16 9.336 0.059 -7.437 1.00 41.34 O ATOM 252 CB LYS A 16 6.295 -0.552 -6.866 1.00 40.34 C ATOM 253 CG LYS A 16 4.989 -1.066 -7.449 1.00 64.42 C ATOM 254 CD LYS A 16 4.904 -0.805 -8.943 1.00 22.10 C ATOM 255 CE LYS A 16 4.801 0.683 -9.243 1.00 73.45 C ATOM 256 NZ LYS A 16 4.079 0.942 -10.519 1.00 31.11 N ATOM 0 H LYS A 16 6.721 -2.716 -5.669 1.00 65.24 H new ATOM 0 HA LYS A 16 7.552 -1.641 -8.229 1.00 41.45 H new ATOM 0 HB2 LYS A 16 6.184 -0.445 -5.787 1.00 40.34 H new ATOM 0 HB3 LYS A 16 6.495 0.442 -7.266 1.00 40.34 H new ATOM 0 HG2 LYS A 16 4.901 -2.136 -7.260 1.00 64.42 H new ATOM 0 HG3 LYS A 16 4.151 -0.584 -6.946 1.00 64.42 H new ATOM 0 HD2 LYS A 16 5.785 -1.217 -9.436 1.00 22.10 H new ATOM 0 HD3 LYS A 16 4.037 -1.321 -9.355 1.00 22.10 H new ATOM 0 HE2 LYS A 16 4.283 1.184 -8.425 1.00 73.45 H new ATOM 0 HE3 LYS A 16 5.801 1.113 -9.298 1.00 73.45 H new ATOM 0 HZ1 LYS A 16 4.757 1.246 -11.246 1.00 31.11 H new ATOM 0 HZ2 LYS A 16 3.604 0.072 -10.832 1.00 31.11 H new ATOM 0 HZ3 LYS A 16 3.371 1.689 -10.372 1.00 31.11 H new ATOM 270 N LEU A 17 9.254 -1.120 -5.523 1.00 1.31 N ATOM 271 CA LEU A 17 10.478 -0.538 -4.984 1.00 1.14 C ATOM 272 C LEU A 17 11.675 -1.448 -5.243 1.00 71.31 C ATOM 273 O LEU A 17 12.824 -1.045 -5.068 1.00 2.01 O ATOM 274 CB LEU A 17 10.329 -0.288 -3.482 1.00 4.30 C ATOM 275 CG LEU A 17 9.162 0.607 -3.063 1.00 22.10 C ATOM 276 CD1 LEU A 17 9.162 0.813 -1.557 1.00 14.01 C ATOM 277 CD2 LEU A 17 9.227 1.943 -3.787 1.00 32.10 C ATOM 0 H LEU A 17 8.808 -1.804 -4.912 1.00 1.31 H new ATOM 0 HA LEU A 17 10.652 0.412 -5.489 1.00 1.14 H new ATOM 0 HB2 LEU A 17 10.220 -1.251 -2.983 1.00 4.30 H new ATOM 0 HB3 LEU A 17 11.253 0.158 -3.115 1.00 4.30 H new ATOM 0 HG LEU A 17 8.231 0.112 -3.341 1.00 22.10 H new ATOM 0 HD11 LEU A 17 8.325 1.452 -1.277 1.00 14.01 H new ATOM 0 HD12 LEU A 17 9.065 -0.151 -1.058 1.00 14.01 H new ATOM 0 HD13 LEU A 17 10.096 1.286 -1.254 1.00 14.01 H new ATOM 0 HD21 LEU A 17 8.389 2.566 -3.476 1.00 32.10 H new ATOM 0 HD22 LEU A 17 10.163 2.445 -3.541 1.00 32.10 H new ATOM 0 HD23 LEU A 17 9.176 1.777 -4.863 1.00 32.10 H new ATOM 289 N ALA A 18 11.395 -2.678 -5.664 1.00 31.23 N ATOM 290 CA ALA A 18 12.448 -3.644 -5.951 1.00 62.44 C ATOM 291 C ALA A 18 11.863 -4.960 -6.456 1.00 0.25 C ATOM 292 O ALA A 18 10.675 -5.043 -6.769 1.00 13.33 O ATOM 293 CB ALA A 18 13.298 -3.883 -4.713 1.00 1.12 C ATOM 0 H ALA A 18 10.449 -3.028 -5.814 1.00 31.23 H new ATOM 0 HA ALA A 18 13.080 -3.232 -6.737 1.00 62.44 H new ATOM 0 HB1 ALA A 18 14.080 -4.607 -4.943 1.00 1.12 H new ATOM 0 HB2 ALA A 18 13.753 -2.944 -4.398 1.00 1.12 H new ATOM 0 HB3 ALA A 18 12.671 -4.270 -3.910 1.00 1.12 H new ATOM 299 N LEU A 19 12.704 -5.985 -6.532 1.00 72.20 N ATOM 300 CA LEU A 19 12.271 -7.297 -6.999 1.00 61.31 C ATOM 301 C LEU A 19 11.363 -7.968 -5.973 1.00 33.02 C ATOM 302 O LEU A 19 10.580 -8.856 -6.307 1.00 2.20 O ATOM 303 CB LEU A 19 13.483 -8.186 -7.282 1.00 12.53 C ATOM 304 CG LEU A 19 14.514 -7.622 -8.259 1.00 44.51 C ATOM 305 CD1 LEU A 19 15.711 -8.555 -8.371 1.00 71.25 C ATOM 306 CD2 LEU A 19 13.886 -7.392 -9.625 1.00 15.41 C ATOM 0 H LEU A 19 13.690 -5.933 -6.276 1.00 72.20 H new ATOM 0 HA LEU A 19 11.707 -7.158 -7.921 1.00 61.31 H new ATOM 0 HB2 LEU A 19 13.984 -8.395 -6.337 1.00 12.53 H new ATOM 0 HB3 LEU A 19 13.126 -9.139 -7.671 1.00 12.53 H new ATOM 0 HG LEU A 19 14.861 -6.663 -7.875 1.00 44.51 H new ATOM 0 HD11 LEU A 19 16.434 -8.137 -9.071 1.00 71.25 H new ATOM 0 HD12 LEU A 19 16.177 -8.668 -7.392 1.00 71.25 H new ATOM 0 HD13 LEU A 19 15.380 -9.530 -8.730 1.00 71.25 H new ATOM 0 HD21 LEU A 19 14.635 -6.990 -10.307 1.00 15.41 H new ATOM 0 HD22 LEU A 19 13.509 -8.337 -10.016 1.00 15.41 H new ATOM 0 HD23 LEU A 19 13.063 -6.684 -9.532 1.00 15.41 H new ATOM 318 N GLY A 20 11.472 -7.534 -4.720 1.00 41.32 N ATOM 319 CA GLY A 20 10.654 -8.101 -3.664 1.00 53.14 C ATOM 320 C GLY A 20 11.288 -9.325 -3.033 1.00 3.33 C ATOM 321 O GLY A 20 10.820 -9.815 -2.007 1.00 4.31 O ATOM 0 H GLY A 20 12.112 -6.800 -4.418 1.00 41.32 H new ATOM 0 HA2 GLY A 20 10.484 -7.347 -2.896 1.00 53.14 H new ATOM 0 HA3 GLY A 20 9.678 -8.369 -4.069 1.00 53.14 H new ATOM 325 N ALA A 21 12.357 -9.819 -3.649 1.00 45.23 N ATOM 326 CA ALA A 21 13.058 -10.992 -3.141 1.00 14.02 C ATOM 327 C ALA A 21 14.306 -10.591 -2.363 1.00 22.23 C ATOM 328 O ALA A 21 14.734 -11.298 -1.450 1.00 52.20 O ATOM 329 CB ALA A 21 13.423 -11.925 -4.286 1.00 32.33 C ATOM 0 H ALA A 21 12.757 -9.425 -4.501 1.00 45.23 H new ATOM 0 HA ALA A 21 12.390 -11.517 -2.458 1.00 14.02 H new ATOM 0 HB1 ALA A 21 13.946 -12.797 -3.892 1.00 32.33 H new ATOM 0 HB2 ALA A 21 12.515 -12.246 -4.797 1.00 32.33 H new ATOM 0 HB3 ALA A 21 14.070 -11.401 -4.990 1.00 32.33 H new ATOM 335 N ASP A 22 14.887 -9.455 -2.730 1.00 12.12 N ATOM 336 CA ASP A 22 16.087 -8.960 -2.065 1.00 40.35 C ATOM 337 C ASP A 22 15.760 -7.775 -1.162 1.00 73.40 C ATOM 338 O ASP A 22 16.654 -7.066 -0.701 1.00 74.14 O ATOM 339 CB ASP A 22 17.138 -8.552 -3.101 1.00 71.32 C ATOM 340 CG ASP A 22 18.514 -8.376 -2.490 1.00 50.22 C ATOM 341 OD1 ASP A 22 19.019 -9.339 -1.877 1.00 13.33 O ATOM 342 OD2 ASP A 22 19.086 -7.274 -2.625 1.00 1.23 O ATOM 0 H ASP A 22 14.547 -8.859 -3.485 1.00 12.12 H new ATOM 0 HA ASP A 22 16.488 -9.764 -1.448 1.00 40.35 H new ATOM 0 HB2 ASP A 22 17.185 -9.309 -3.884 1.00 71.32 H new ATOM 0 HB3 ASP A 22 16.833 -7.620 -3.577 1.00 71.32 H new ATOM 347 N VAL A 23 14.471 -7.566 -0.913 1.00 73.23 N ATOM 348 CA VAL A 23 14.024 -6.468 -0.065 1.00 70.04 C ATOM 349 C VAL A 23 13.029 -6.953 0.983 1.00 14.03 C ATOM 350 O VAL A 23 12.133 -7.743 0.686 1.00 62.10 O ATOM 351 CB VAL A 23 13.372 -5.346 -0.896 1.00 44.41 C ATOM 352 CG1 VAL A 23 12.061 -5.823 -1.501 1.00 53.34 C ATOM 353 CG2 VAL A 23 13.154 -4.108 -0.040 1.00 44.02 C ATOM 0 H VAL A 23 13.718 -8.143 -1.287 1.00 73.23 H new ATOM 0 HA VAL A 23 14.909 -6.073 0.434 1.00 70.04 H new ATOM 0 HB VAL A 23 14.046 -5.082 -1.711 1.00 44.41 H new ATOM 0 HG11 VAL A 23 11.615 -5.017 -2.084 1.00 53.34 H new ATOM 0 HG12 VAL A 23 12.249 -6.679 -2.149 1.00 53.34 H new ATOM 0 HG13 VAL A 23 11.377 -6.115 -0.704 1.00 53.34 H new ATOM 0 HG21 VAL A 23 12.693 -3.326 -0.643 1.00 44.02 H new ATOM 0 HG22 VAL A 23 12.500 -4.355 0.797 1.00 44.02 H new ATOM 0 HG23 VAL A 23 14.113 -3.755 0.340 1.00 44.02 H new ATOM 363 N VAL A 24 13.191 -6.474 2.212 1.00 10.42 N ATOM 364 CA VAL A 24 12.306 -6.856 3.306 1.00 41.33 C ATOM 365 C VAL A 24 11.402 -5.698 3.712 1.00 50.11 C ATOM 366 O VAL A 24 11.877 -4.638 4.119 1.00 62.15 O ATOM 367 CB VAL A 24 13.105 -7.326 4.536 1.00 15.32 C ATOM 368 CG1 VAL A 24 12.164 -7.737 5.658 1.00 12.04 C ATOM 369 CG2 VAL A 24 14.036 -8.469 4.162 1.00 33.13 C ATOM 0 H VAL A 24 13.928 -5.820 2.475 1.00 10.42 H new ATOM 0 HA VAL A 24 11.693 -7.681 2.944 1.00 41.33 H new ATOM 0 HB VAL A 24 13.714 -6.495 4.892 1.00 15.32 H new ATOM 0 HG11 VAL A 24 12.746 -8.066 6.519 1.00 12.04 H new ATOM 0 HG12 VAL A 24 11.544 -6.887 5.943 1.00 12.04 H new ATOM 0 HG13 VAL A 24 11.526 -8.553 5.318 1.00 12.04 H new ATOM 0 HG21 VAL A 24 14.592 -8.788 5.043 1.00 33.13 H new ATOM 0 HG22 VAL A 24 13.450 -9.305 3.780 1.00 33.13 H new ATOM 0 HG23 VAL A 24 14.733 -8.134 3.394 1.00 33.13 H new ATOM 379 N VAL A 25 10.094 -5.909 3.599 1.00 55.22 N ATOM 380 CA VAL A 25 9.121 -4.883 3.956 1.00 51.42 C ATOM 381 C VAL A 25 8.275 -5.318 5.146 1.00 61.12 C ATOM 382 O VAL A 25 7.986 -6.503 5.317 1.00 34.42 O ATOM 383 CB VAL A 25 8.192 -4.555 2.772 1.00 54.11 C ATOM 384 CG1 VAL A 25 7.329 -3.342 3.089 1.00 24.22 C ATOM 385 CG2 VAL A 25 9.003 -4.324 1.506 1.00 70.34 C ATOM 0 H VAL A 25 9.684 -6.781 3.263 1.00 55.22 H new ATOM 0 HA VAL A 25 9.686 -3.990 4.223 1.00 51.42 H new ATOM 0 HB VAL A 25 7.533 -5.407 2.605 1.00 54.11 H new ATOM 0 HG11 VAL A 25 6.680 -3.126 2.241 1.00 24.22 H new ATOM 0 HG12 VAL A 25 6.720 -3.549 3.969 1.00 24.22 H new ATOM 0 HG13 VAL A 25 7.969 -2.481 3.285 1.00 24.22 H new ATOM 0 HG21 VAL A 25 8.330 -4.094 0.680 1.00 70.34 H new ATOM 0 HG22 VAL A 25 9.688 -3.490 1.660 1.00 70.34 H new ATOM 0 HG23 VAL A 25 9.573 -5.223 1.270 1.00 70.34 H new ATOM 395 N THR A 26 7.879 -4.352 5.969 1.00 10.20 N ATOM 396 CA THR A 26 7.066 -4.634 7.146 1.00 63.14 C ATOM 397 C THR A 26 5.885 -3.677 7.241 1.00 55.33 C ATOM 398 O THR A 26 5.823 -2.679 6.523 1.00 44.24 O ATOM 399 CB THR A 26 7.897 -4.538 8.439 1.00 55.33 C ATOM 400 OG1 THR A 26 8.988 -3.628 8.254 1.00 40.52 O ATOM 401 CG2 THR A 26 8.431 -5.903 8.843 1.00 64.25 C ATOM 0 H THR A 26 8.108 -3.366 5.842 1.00 10.20 H new ATOM 0 HA THR A 26 6.695 -5.653 7.037 1.00 63.14 H new ATOM 0 HB THR A 26 7.249 -4.170 9.234 1.00 55.33 H new ATOM 0 HG1 THR A 26 9.510 -3.571 9.081 1.00 40.52 H new ATOM 0 HG21 THR A 26 9.015 -5.809 9.759 1.00 64.25 H new ATOM 0 HG22 THR A 26 7.597 -6.584 9.012 1.00 64.25 H new ATOM 0 HG23 THR A 26 9.065 -6.296 8.048 1.00 64.25 H new ATOM 409 N ALA A 27 4.948 -3.986 8.131 1.00 21.15 N ATOM 410 CA ALA A 27 3.770 -3.150 8.322 1.00 51.01 C ATOM 411 C ALA A 27 4.139 -1.821 8.971 1.00 14.52 C ATOM 412 O ALA A 27 3.424 -0.828 8.826 1.00 4.10 O ATOM 413 CB ALA A 27 2.734 -3.881 9.164 1.00 63.10 C ATOM 0 H ALA A 27 4.982 -4.810 8.731 1.00 21.15 H new ATOM 0 HA ALA A 27 3.342 -2.939 7.342 1.00 51.01 H new ATOM 0 HB1 ALA A 27 1.860 -3.244 9.298 1.00 63.10 H new ATOM 0 HB2 ALA A 27 2.439 -4.801 8.660 1.00 63.10 H new ATOM 0 HB3 ALA A 27 3.161 -4.122 10.138 1.00 63.10 H new ATOM 419 N ASP A 28 5.256 -1.807 9.688 1.00 43.32 N ATOM 420 CA ASP A 28 5.721 -0.599 10.359 1.00 32.44 C ATOM 421 C ASP A 28 6.661 0.196 9.460 1.00 42.10 C ATOM 422 O ASP A 28 6.915 1.377 9.698 1.00 62.51 O ATOM 423 CB ASP A 28 6.428 -0.956 11.668 1.00 35.30 C ATOM 424 CG ASP A 28 6.573 0.237 12.592 1.00 32.22 C ATOM 425 OD1 ASP A 28 6.039 1.315 12.257 1.00 13.03 O ATOM 426 OD2 ASP A 28 7.222 0.094 13.650 1.00 41.11 O ATOM 0 H ASP A 28 5.858 -2.620 9.820 1.00 43.32 H new ATOM 0 HA ASP A 28 4.851 0.019 10.581 1.00 32.44 H new ATOM 0 HB2 ASP A 28 5.868 -1.740 12.177 1.00 35.30 H new ATOM 0 HB3 ASP A 28 7.415 -1.362 11.446 1.00 35.30 H new ATOM 431 N SER A 29 7.178 -0.460 8.425 1.00 70.52 N ATOM 432 CA SER A 29 8.094 0.184 7.491 1.00 30.53 C ATOM 433 C SER A 29 7.408 1.336 6.764 1.00 0.24 C ATOM 434 O SER A 29 6.309 1.182 6.234 1.00 3.41 O ATOM 435 CB SER A 29 8.620 -0.834 6.477 1.00 40.50 C ATOM 436 OG SER A 29 9.768 -1.500 6.972 1.00 71.52 O ATOM 0 H SER A 29 6.978 -1.437 8.213 1.00 70.52 H new ATOM 0 HA SER A 29 8.932 0.585 8.060 1.00 30.53 H new ATOM 0 HB2 SER A 29 7.842 -1.563 6.252 1.00 40.50 H new ATOM 0 HB3 SER A 29 8.864 -0.329 5.542 1.00 40.50 H new ATOM 0 HG SER A 29 9.520 -2.398 7.275 1.00 71.52 H new ATOM 442 N GLU A 30 8.068 2.491 6.745 1.00 73.33 N ATOM 443 CA GLU A 30 7.521 3.671 6.084 1.00 42.05 C ATOM 444 C GLU A 30 7.923 3.704 4.613 1.00 52.32 C ATOM 445 O GLU A 30 9.073 3.436 4.265 1.00 62.53 O ATOM 446 CB GLU A 30 8.000 4.943 6.785 1.00 11.53 C ATOM 447 CG GLU A 30 7.665 4.986 8.266 1.00 15.15 C ATOM 448 CD GLU A 30 8.388 6.101 8.997 1.00 44.44 C ATOM 449 OE1 GLU A 30 9.606 5.961 9.237 1.00 42.45 O ATOM 450 OE2 GLU A 30 7.737 7.113 9.326 1.00 13.12 O ATOM 0 H GLU A 30 8.980 2.634 7.179 1.00 73.33 H new ATOM 0 HA GLU A 30 6.434 3.620 6.144 1.00 42.05 H new ATOM 0 HB2 GLU A 30 9.080 5.030 6.663 1.00 11.53 H new ATOM 0 HB3 GLU A 30 7.553 5.808 6.295 1.00 11.53 H new ATOM 0 HG2 GLU A 30 6.589 5.115 8.388 1.00 15.15 H new ATOM 0 HG3 GLU A 30 7.925 4.030 8.721 1.00 15.15 H new ATOM 457 N PHE A 31 6.967 4.036 3.752 1.00 54.12 N ATOM 458 CA PHE A 31 7.220 4.104 2.317 1.00 70.24 C ATOM 459 C PHE A 31 8.419 4.999 2.017 1.00 20.34 C ATOM 460 O PHE A 31 9.127 4.796 1.032 1.00 41.42 O ATOM 461 CB PHE A 31 5.983 4.627 1.583 1.00 14.12 C ATOM 462 CG PHE A 31 4.802 3.702 1.664 1.00 51.42 C ATOM 463 CD1 PHE A 31 4.775 2.528 0.927 1.00 35.13 C ATOM 464 CD2 PHE A 31 3.721 4.006 2.474 1.00 62.34 C ATOM 465 CE1 PHE A 31 3.689 1.676 0.999 1.00 62.25 C ATOM 466 CE2 PHE A 31 2.633 3.156 2.549 1.00 12.35 C ATOM 467 CZ PHE A 31 2.617 1.990 1.811 1.00 62.41 C ATOM 0 H PHE A 31 6.010 4.262 4.023 1.00 54.12 H new ATOM 0 HA PHE A 31 7.444 3.097 1.966 1.00 70.24 H new ATOM 0 HB2 PHE A 31 5.705 5.595 2.000 1.00 14.12 H new ATOM 0 HB3 PHE A 31 6.234 4.791 0.535 1.00 14.12 H new ATOM 0 HD1 PHE A 31 5.611 2.277 0.291 1.00 35.13 H new ATOM 0 HD2 PHE A 31 3.728 4.917 3.054 1.00 62.34 H new ATOM 0 HE1 PHE A 31 3.679 0.764 0.420 1.00 62.25 H new ATOM 0 HE2 PHE A 31 1.796 3.404 3.185 1.00 12.35 H new ATOM 0 HZ PHE A 31 1.768 1.325 1.868 1.00 62.41 H new ATOM 477 N SER A 32 8.640 5.989 2.876 1.00 34.12 N ATOM 478 CA SER A 32 9.750 6.919 2.702 1.00 62.11 C ATOM 479 C SER A 32 11.070 6.268 3.103 1.00 42.12 C ATOM 480 O SER A 32 12.120 6.565 2.532 1.00 22.31 O ATOM 481 CB SER A 32 9.519 8.183 3.533 1.00 62.33 C ATOM 482 OG SER A 32 8.175 8.619 3.434 1.00 32.42 O ATOM 0 H SER A 32 8.065 6.168 3.699 1.00 34.12 H new ATOM 0 HA SER A 32 9.803 7.191 1.648 1.00 62.11 H new ATOM 0 HB2 SER A 32 9.765 7.986 4.576 1.00 62.33 H new ATOM 0 HB3 SER A 32 10.187 8.974 3.192 1.00 62.33 H new ATOM 0 HG SER A 32 8.052 9.427 3.975 1.00 32.42 H new ATOM 488 N LYS A 33 11.010 5.377 4.087 1.00 50.12 N ATOM 489 CA LYS A 33 12.199 4.682 4.564 1.00 70.20 C ATOM 490 C LYS A 33 12.602 3.570 3.601 1.00 21.35 C ATOM 491 O LYS A 33 13.789 3.298 3.412 1.00 54.11 O ATOM 492 CB LYS A 33 11.949 4.099 5.957 1.00 61.31 C ATOM 493 CG LYS A 33 12.420 4.999 7.087 1.00 73.42 C ATOM 494 CD LYS A 33 13.858 4.701 7.474 1.00 21.14 C ATOM 495 CE LYS A 33 13.933 3.656 8.577 1.00 32.12 C ATOM 496 NZ LYS A 33 13.344 4.151 9.851 1.00 3.24 N ATOM 0 H LYS A 33 10.149 5.119 4.570 1.00 50.12 H new ATOM 0 HA LYS A 33 13.014 5.404 4.619 1.00 70.20 H new ATOM 0 HB2 LYS A 33 10.882 3.909 6.076 1.00 61.31 H new ATOM 0 HB3 LYS A 33 12.455 3.137 6.035 1.00 61.31 H new ATOM 0 HG2 LYS A 33 12.333 6.042 6.783 1.00 73.42 H new ATOM 0 HG3 LYS A 33 11.773 4.864 7.954 1.00 73.42 H new ATOM 0 HD2 LYS A 33 14.406 4.349 6.600 1.00 21.14 H new ATOM 0 HD3 LYS A 33 14.344 5.618 7.807 1.00 21.14 H new ATOM 0 HE2 LYS A 33 13.408 2.755 8.260 1.00 32.12 H new ATOM 0 HE3 LYS A 33 14.974 3.377 8.742 1.00 32.12 H new ATOM 0 HZ1 LYS A 33 13.790 3.661 10.653 1.00 3.24 H new ATOM 0 HZ2 LYS A 33 13.509 5.174 9.935 1.00 3.24 H new ATOM 0 HZ3 LYS A 33 12.321 3.964 9.856 1.00 3.24 H new ATOM 510 N LEU A 34 11.609 2.931 2.994 1.00 73.41 N ATOM 511 CA LEU A 34 11.861 1.849 2.048 1.00 73.43 C ATOM 512 C LEU A 34 12.545 2.373 0.791 1.00 43.24 C ATOM 513 O LEU A 34 13.183 1.617 0.058 1.00 33.11 O ATOM 514 CB LEU A 34 10.549 1.154 1.677 1.00 23.12 C ATOM 515 CG LEU A 34 9.775 0.518 2.832 1.00 23.13 C ATOM 516 CD1 LEU A 34 8.565 -0.240 2.311 1.00 74.14 C ATOM 517 CD2 LEU A 34 10.680 -0.405 3.636 1.00 52.24 C ATOM 0 H LEU A 34 10.622 3.143 3.139 1.00 73.41 H new ATOM 0 HA LEU A 34 12.524 1.128 2.526 1.00 73.43 H new ATOM 0 HB2 LEU A 34 9.901 1.882 1.189 1.00 23.12 H new ATOM 0 HB3 LEU A 34 10.767 0.379 0.942 1.00 23.12 H new ATOM 0 HG LEU A 34 9.424 1.313 3.490 1.00 23.13 H new ATOM 0 HD11 LEU A 34 8.027 -0.686 3.148 1.00 74.14 H new ATOM 0 HD12 LEU A 34 7.906 0.447 1.780 1.00 74.14 H new ATOM 0 HD13 LEU A 34 8.893 -1.026 1.631 1.00 74.14 H new ATOM 0 HD21 LEU A 34 10.113 -0.849 4.454 1.00 52.24 H new ATOM 0 HD22 LEU A 34 11.062 -1.195 2.989 1.00 52.24 H new ATOM 0 HD23 LEU A 34 11.515 0.167 4.042 1.00 52.24 H new ATOM 529 N GLY A 35 12.411 3.673 0.548 1.00 61.33 N ATOM 530 CA GLY A 35 13.024 4.277 -0.621 1.00 22.01 C ATOM 531 C GLY A 35 12.002 4.714 -1.651 1.00 4.14 C ATOM 532 O GLY A 35 12.336 4.926 -2.817 1.00 22.13 O ATOM 0 H GLY A 35 11.889 4.319 1.140 1.00 61.33 H new ATOM 0 HA2 GLY A 35 13.616 5.139 -0.313 1.00 22.01 H new ATOM 0 HA3 GLY A 35 13.712 3.564 -1.076 1.00 22.01 H new ATOM 536 N ALA A 36 10.752 4.848 -1.221 1.00 54.41 N ATOM 537 CA ALA A 36 9.678 5.264 -2.115 1.00 70.31 C ATOM 538 C ALA A 36 9.436 6.766 -2.022 1.00 11.41 C ATOM 539 O ALA A 36 8.939 7.264 -1.012 1.00 52.12 O ATOM 540 CB ALA A 36 8.400 4.502 -1.795 1.00 72.12 C ATOM 0 H ALA A 36 10.458 4.675 -0.260 1.00 54.41 H new ATOM 0 HA ALA A 36 9.980 5.034 -3.137 1.00 70.31 H new ATOM 0 HB1 ALA A 36 7.607 4.823 -2.470 1.00 72.12 H new ATOM 0 HB2 ALA A 36 8.573 3.433 -1.920 1.00 72.12 H new ATOM 0 HB3 ALA A 36 8.104 4.704 -0.766 1.00 72.12 H new ATOM 546 N ASP A 37 9.793 7.485 -3.081 1.00 54.11 N ATOM 547 CA ASP A 37 9.615 8.932 -3.120 1.00 72.52 C ATOM 548 C ASP A 37 8.207 9.294 -3.584 1.00 23.22 C ATOM 549 O ASP A 37 7.354 8.422 -3.751 1.00 10.15 O ATOM 550 CB ASP A 37 10.651 9.570 -4.046 1.00 0.55 C ATOM 551 CG ASP A 37 12.059 9.086 -3.760 1.00 13.43 C ATOM 552 OD1 ASP A 37 12.469 8.068 -4.356 1.00 52.33 O ATOM 553 OD2 ASP A 37 12.751 9.725 -2.941 1.00 15.44 O ATOM 0 H ASP A 37 10.208 7.089 -3.924 1.00 54.11 H new ATOM 0 HA ASP A 37 9.756 9.318 -2.110 1.00 72.52 H new ATOM 0 HB2 ASP A 37 10.396 9.345 -5.082 1.00 0.55 H new ATOM 0 HB3 ASP A 37 10.613 10.654 -3.937 1.00 0.55 H new ATOM 558 N SER A 38 7.972 10.587 -3.790 1.00 64.44 N ATOM 559 CA SER A 38 6.667 11.065 -4.230 1.00 61.13 C ATOM 560 C SER A 38 6.281 10.439 -5.567 1.00 64.11 C ATOM 561 O SER A 38 5.099 10.293 -5.881 1.00 11.23 O ATOM 562 CB SER A 38 6.674 12.589 -4.352 1.00 12.21 C ATOM 563 OG SER A 38 5.484 13.058 -4.963 1.00 63.14 O ATOM 0 H SER A 38 8.668 11.321 -3.659 1.00 64.44 H new ATOM 0 HA SER A 38 5.929 10.770 -3.484 1.00 61.13 H new ATOM 0 HB2 SER A 38 6.779 13.035 -3.363 1.00 12.21 H new ATOM 0 HB3 SER A 38 7.537 12.906 -4.938 1.00 12.21 H new ATOM 0 HG SER A 38 5.513 14.035 -5.028 1.00 63.14 H new ATOM 569 N LEU A 39 7.288 10.068 -6.352 1.00 30.12 N ATOM 570 CA LEU A 39 7.056 9.458 -7.656 1.00 63.14 C ATOM 571 C LEU A 39 6.722 7.976 -7.511 1.00 62.13 C ATOM 572 O LEU A 39 6.010 7.406 -8.339 1.00 35.25 O ATOM 573 CB LEU A 39 8.287 9.630 -8.548 1.00 61.42 C ATOM 574 CG LEU A 39 8.756 11.068 -8.773 1.00 72.24 C ATOM 575 CD1 LEU A 39 9.736 11.485 -7.688 1.00 21.41 C ATOM 576 CD2 LEU A 39 9.388 11.212 -10.150 1.00 54.31 C ATOM 0 H LEU A 39 8.272 10.179 -6.107 1.00 30.12 H new ATOM 0 HA LEU A 39 6.207 9.960 -8.119 1.00 63.14 H new ATOM 0 HB2 LEU A 39 9.110 9.065 -8.111 1.00 61.42 H new ATOM 0 HB3 LEU A 39 8.073 9.182 -9.519 1.00 61.42 H new ATOM 0 HG LEU A 39 7.889 11.726 -8.722 1.00 72.24 H new ATOM 0 HD11 LEU A 39 10.059 12.511 -7.864 1.00 21.41 H new ATOM 0 HD12 LEU A 39 9.250 11.420 -6.714 1.00 21.41 H new ATOM 0 HD13 LEU A 39 10.602 10.824 -7.706 1.00 21.41 H new ATOM 0 HD21 LEU A 39 9.716 12.241 -10.294 1.00 54.31 H new ATOM 0 HD22 LEU A 39 10.245 10.543 -10.229 1.00 54.31 H new ATOM 0 HD23 LEU A 39 8.656 10.954 -10.915 1.00 54.31 H new ATOM 588 N ASP A 40 7.239 7.359 -6.455 1.00 42.01 N ATOM 589 CA ASP A 40 6.993 5.944 -6.200 1.00 24.45 C ATOM 590 C ASP A 40 5.643 5.741 -5.519 1.00 30.02 C ATOM 591 O ASP A 40 4.814 4.957 -5.982 1.00 33.45 O ATOM 592 CB ASP A 40 8.108 5.359 -5.332 1.00 5.45 C ATOM 593 CG ASP A 40 9.348 5.017 -6.135 1.00 70.22 C ATOM 594 OD1 ASP A 40 9.510 5.574 -7.242 1.00 24.20 O ATOM 595 OD2 ASP A 40 10.155 4.193 -5.658 1.00 1.14 O ATOM 0 H ASP A 40 7.831 7.816 -5.761 1.00 42.01 H new ATOM 0 HA ASP A 40 6.978 5.425 -7.158 1.00 24.45 H new ATOM 0 HB2 ASP A 40 8.370 6.074 -4.552 1.00 5.45 H new ATOM 0 HB3 ASP A 40 7.743 4.461 -4.833 1.00 5.45 H new ATOM 600 N THR A 41 5.428 6.453 -4.417 1.00 44.02 N ATOM 601 CA THR A 41 4.180 6.351 -3.671 1.00 65.13 C ATOM 602 C THR A 41 2.975 6.483 -4.595 1.00 21.01 C ATOM 603 O THR A 41 2.065 5.655 -4.568 1.00 23.34 O ATOM 604 CB THR A 41 4.092 7.426 -2.573 1.00 3.33 C ATOM 605 OG1 THR A 41 5.331 7.502 -1.860 1.00 41.34 O ATOM 606 CG2 THR A 41 2.962 7.118 -1.603 1.00 72.40 C ATOM 0 H THR A 41 6.103 7.107 -4.021 1.00 44.02 H new ATOM 0 HA THR A 41 4.170 5.366 -3.205 1.00 65.13 H new ATOM 0 HB THR A 41 3.889 8.384 -3.051 1.00 3.33 H new ATOM 0 HG1 THR A 41 6.000 7.955 -2.414 1.00 41.34 H new ATOM 0 HG21 THR A 41 2.920 7.892 -0.836 1.00 72.40 H new ATOM 0 HG22 THR A 41 2.016 7.091 -2.143 1.00 72.40 H new ATOM 0 HG23 THR A 41 3.139 6.151 -1.133 1.00 72.40 H new ATOM 614 N VAL A 42 2.976 7.530 -5.414 1.00 52.13 N ATOM 615 CA VAL A 42 1.883 7.770 -6.348 1.00 53.04 C ATOM 616 C VAL A 42 1.604 6.535 -7.198 1.00 54.41 C ATOM 617 O VAL A 42 0.457 6.253 -7.541 1.00 64.41 O ATOM 618 CB VAL A 42 2.188 8.960 -7.277 1.00 4.30 C ATOM 619 CG1 VAL A 42 3.478 8.719 -8.047 1.00 73.22 C ATOM 620 CG2 VAL A 42 1.027 9.206 -8.228 1.00 12.13 C ATOM 0 H VAL A 42 3.722 8.225 -5.449 1.00 52.13 H new ATOM 0 HA VAL A 42 1.002 8.002 -5.749 1.00 53.04 H new ATOM 0 HB VAL A 42 2.320 9.852 -6.665 1.00 4.30 H new ATOM 0 HG11 VAL A 42 3.677 9.570 -8.698 1.00 73.22 H new ATOM 0 HG12 VAL A 42 4.303 8.598 -7.345 1.00 73.22 H new ATOM 0 HG13 VAL A 42 3.379 7.816 -8.650 1.00 73.22 H new ATOM 0 HG21 VAL A 42 1.261 10.050 -8.877 1.00 12.13 H new ATOM 0 HG22 VAL A 42 0.860 8.317 -8.836 1.00 12.13 H new ATOM 0 HG23 VAL A 42 0.127 9.427 -7.654 1.00 12.13 H new ATOM 630 N GLU A 43 2.662 5.803 -7.533 1.00 50.50 N ATOM 631 CA GLU A 43 2.531 4.599 -8.344 1.00 21.01 C ATOM 632 C GLU A 43 1.949 3.452 -7.522 1.00 63.45 C ATOM 633 O GLU A 43 1.281 2.568 -8.059 1.00 72.55 O ATOM 634 CB GLU A 43 3.891 4.192 -8.916 1.00 71.41 C ATOM 635 CG GLU A 43 4.076 4.572 -10.374 1.00 1.50 C ATOM 636 CD GLU A 43 2.988 4.008 -11.267 1.00 71.03 C ATOM 637 OE1 GLU A 43 2.282 3.077 -10.825 1.00 13.51 O ATOM 638 OE2 GLU A 43 2.843 4.496 -12.408 1.00 64.12 O ATOM 0 H GLU A 43 3.619 6.023 -7.255 1.00 50.50 H new ATOM 0 HA GLU A 43 1.850 4.817 -9.167 1.00 21.01 H new ATOM 0 HB2 GLU A 43 4.679 4.659 -8.325 1.00 71.41 H new ATOM 0 HB3 GLU A 43 4.011 3.114 -8.812 1.00 71.41 H new ATOM 0 HG2 GLU A 43 4.088 5.658 -10.464 1.00 1.50 H new ATOM 0 HG3 GLU A 43 5.046 4.213 -10.719 1.00 1.50 H new ATOM 645 N ILE A 44 2.207 3.474 -6.220 1.00 11.24 N ATOM 646 CA ILE A 44 1.708 2.438 -5.324 1.00 61.13 C ATOM 647 C ILE A 44 0.183 2.414 -5.306 1.00 3.12 C ATOM 648 O ILE A 44 -0.432 1.347 -5.316 1.00 3.24 O ATOM 649 CB ILE A 44 2.225 2.638 -3.887 1.00 55.23 C ATOM 650 CG1 ILE A 44 3.750 2.756 -3.882 1.00 12.21 C ATOM 651 CG2 ILE A 44 1.773 1.490 -2.997 1.00 32.11 C ATOM 652 CD1 ILE A 44 4.441 1.689 -4.702 1.00 20.12 C ATOM 0 H ILE A 44 2.759 4.198 -5.761 1.00 11.24 H new ATOM 0 HA ILE A 44 2.079 1.487 -5.705 1.00 61.13 H new ATOM 0 HB ILE A 44 1.807 3.564 -3.492 1.00 55.23 H new ATOM 0 HG12 ILE A 44 4.032 3.737 -4.265 1.00 12.21 H new ATOM 0 HG13 ILE A 44 4.107 2.701 -2.854 1.00 12.21 H new ATOM 0 HG21 ILE A 44 2.146 1.646 -1.985 1.00 32.11 H new ATOM 0 HG22 ILE A 44 0.684 1.450 -2.980 1.00 32.11 H new ATOM 0 HG23 ILE A 44 2.165 0.551 -3.388 1.00 32.11 H new ATOM 0 HD11 ILE A 44 5.520 1.834 -4.653 1.00 20.12 H new ATOM 0 HD12 ILE A 44 4.189 0.705 -4.306 1.00 20.12 H new ATOM 0 HD13 ILE A 44 4.112 1.757 -5.739 1.00 20.12 H new ATOM 664 N VAL A 45 -0.422 3.597 -5.282 1.00 4.13 N ATOM 665 CA VAL A 45 -1.875 3.713 -5.266 1.00 22.41 C ATOM 666 C VAL A 45 -2.474 3.298 -6.604 1.00 4.13 C ATOM 667 O VAL A 45 -3.528 2.663 -6.654 1.00 13.34 O ATOM 668 CB VAL A 45 -2.319 5.151 -4.940 1.00 20.11 C ATOM 669 CG1 VAL A 45 -3.825 5.212 -4.734 1.00 63.44 C ATOM 670 CG2 VAL A 45 -1.584 5.672 -3.714 1.00 43.23 C ATOM 0 H VAL A 45 0.072 4.489 -5.273 1.00 4.13 H new ATOM 0 HA VAL A 45 -2.238 3.043 -4.486 1.00 22.41 H new ATOM 0 HB VAL A 45 -2.066 5.790 -5.786 1.00 20.11 H new ATOM 0 HG11 VAL A 45 -4.120 6.236 -4.505 1.00 63.44 H new ATOM 0 HG12 VAL A 45 -4.330 4.884 -5.642 1.00 63.44 H new ATOM 0 HG13 VAL A 45 -4.106 4.560 -3.907 1.00 63.44 H new ATOM 0 HG21 VAL A 45 -1.911 6.689 -3.499 1.00 43.23 H new ATOM 0 HG22 VAL A 45 -1.803 5.032 -2.859 1.00 43.23 H new ATOM 0 HG23 VAL A 45 -0.511 5.668 -3.904 1.00 43.23 H new ATOM 680 N MET A 46 -1.795 3.660 -7.688 1.00 70.24 N ATOM 681 CA MET A 46 -2.260 3.322 -9.029 1.00 14.25 C ATOM 682 C MET A 46 -2.284 1.810 -9.232 1.00 11.45 C ATOM 683 O MET A 46 -3.223 1.268 -9.812 1.00 42.51 O ATOM 684 CB MET A 46 -1.364 3.976 -10.081 1.00 50.43 C ATOM 685 CG MET A 46 -2.044 4.160 -11.429 1.00 65.20 C ATOM 686 SD MET A 46 -1.832 5.823 -12.093 1.00 22.15 S ATOM 687 CE MET A 46 -0.066 6.046 -11.891 1.00 22.15 C ATOM 0 H MET A 46 -0.922 4.187 -7.664 1.00 70.24 H new ATOM 0 HA MET A 46 -3.276 3.701 -9.141 1.00 14.25 H new ATOM 0 HB2 MET A 46 -1.036 4.948 -9.713 1.00 50.43 H new ATOM 0 HB3 MET A 46 -0.470 3.367 -10.214 1.00 50.43 H new ATOM 0 HG2 MET A 46 -1.640 3.436 -12.137 1.00 65.20 H new ATOM 0 HG3 MET A 46 -3.108 3.947 -11.327 1.00 65.20 H new ATOM 0 HE1 MET A 46 0.306 6.723 -12.660 1.00 22.15 H new ATOM 0 HE2 MET A 46 0.137 6.468 -10.907 1.00 22.15 H new ATOM 0 HE3 MET A 46 0.435 5.082 -11.983 1.00 22.15 H new ATOM 697 N ASN A 47 -1.244 1.137 -8.749 1.00 54.25 N ATOM 698 CA ASN A 47 -1.146 -0.312 -8.880 1.00 62.20 C ATOM 699 C ASN A 47 -2.180 -1.009 -8.000 1.00 53.20 C ATOM 700 O ASN A 47 -2.857 -1.941 -8.437 1.00 44.20 O ATOM 701 CB ASN A 47 0.259 -0.785 -8.504 1.00 23.01 C ATOM 702 CG ASN A 47 0.871 -1.682 -9.563 1.00 51.15 C ATOM 703 OD1 ASN A 47 1.010 -2.889 -9.366 1.00 52.22 O ATOM 704 ND2 ASN A 47 1.238 -1.094 -10.696 1.00 43.22 N ATOM 0 H ASN A 47 -0.459 1.571 -8.264 1.00 54.25 H new ATOM 0 HA ASN A 47 -1.344 -0.572 -9.920 1.00 62.20 H new ATOM 0 HB2 ASN A 47 0.902 0.082 -8.350 1.00 23.01 H new ATOM 0 HB3 ASN A 47 0.217 -1.323 -7.557 1.00 23.01 H new ATOM 0 HD21 ASN A 47 1.654 -1.646 -11.446 1.00 43.22 H new ATOM 0 HD22 ASN A 47 1.104 -0.090 -10.816 1.00 43.22 H new ATOM 711 N LEU A 48 -2.300 -0.549 -6.760 1.00 23.54 N ATOM 712 CA LEU A 48 -3.252 -1.127 -5.818 1.00 72.34 C ATOM 713 C LEU A 48 -4.684 -0.946 -6.311 1.00 51.43 C ATOM 714 O LEU A 48 -5.462 -1.898 -6.351 1.00 10.01 O ATOM 715 CB LEU A 48 -3.091 -0.484 -4.440 1.00 1.13 C ATOM 716 CG LEU A 48 -1.764 -0.750 -3.726 1.00 33.51 C ATOM 717 CD1 LEU A 48 -1.499 0.320 -2.678 1.00 24.25 C ATOM 718 CD2 LEU A 48 -1.770 -2.133 -3.090 1.00 3.30 C ATOM 0 H LEU A 48 -1.750 0.223 -6.383 1.00 23.54 H new ATOM 0 HA LEU A 48 -3.046 -2.194 -5.741 1.00 72.34 H new ATOM 0 HB2 LEU A 48 -3.213 0.594 -4.548 1.00 1.13 H new ATOM 0 HB3 LEU A 48 -3.901 -0.834 -3.801 1.00 1.13 H new ATOM 0 HG LEU A 48 -0.962 -0.714 -4.463 1.00 33.51 H new ATOM 0 HD11 LEU A 48 -0.551 0.115 -2.180 1.00 24.25 H new ATOM 0 HD12 LEU A 48 -1.452 1.297 -3.159 1.00 24.25 H new ATOM 0 HD13 LEU A 48 -2.303 0.316 -1.942 1.00 24.25 H new ATOM 0 HD21 LEU A 48 -0.819 -2.306 -2.586 1.00 3.30 H new ATOM 0 HD22 LEU A 48 -2.581 -2.197 -2.365 1.00 3.30 H new ATOM 0 HD23 LEU A 48 -1.914 -2.888 -3.863 1.00 3.30 H new ATOM 730 N GLU A 49 -5.023 0.283 -6.690 1.00 33.34 N ATOM 731 CA GLU A 49 -6.361 0.588 -7.182 1.00 42.14 C ATOM 732 C GLU A 49 -6.729 -0.319 -8.353 1.00 62.52 C ATOM 733 O GLU A 49 -7.889 -0.695 -8.518 1.00 53.14 O ATOM 734 CB GLU A 49 -6.449 2.054 -7.612 1.00 21.41 C ATOM 735 CG GLU A 49 -6.620 3.019 -6.450 1.00 74.43 C ATOM 736 CD GLU A 49 -6.180 4.429 -6.793 1.00 73.35 C ATOM 737 OE1 GLU A 49 -5.568 4.615 -7.865 1.00 71.15 O ATOM 738 OE2 GLU A 49 -6.448 5.345 -5.989 1.00 13.41 O ATOM 0 H GLU A 49 -4.390 1.082 -6.666 1.00 33.34 H new ATOM 0 HA GLU A 49 -7.068 0.412 -6.371 1.00 42.14 H new ATOM 0 HB2 GLU A 49 -5.546 2.317 -8.162 1.00 21.41 H new ATOM 0 HB3 GLU A 49 -7.287 2.173 -8.299 1.00 21.41 H new ATOM 0 HG2 GLU A 49 -7.666 3.033 -6.145 1.00 74.43 H new ATOM 0 HG3 GLU A 49 -6.044 2.660 -5.597 1.00 74.43 H new ATOM 745 N GLU A 50 -5.733 -0.665 -9.163 1.00 30.11 N ATOM 746 CA GLU A 50 -5.953 -1.526 -10.319 1.00 2.04 C ATOM 747 C GLU A 50 -6.144 -2.977 -9.888 1.00 31.12 C ATOM 748 O GLU A 50 -6.882 -3.731 -10.521 1.00 3.30 O ATOM 749 CB GLU A 50 -4.776 -1.422 -11.291 1.00 42.31 C ATOM 750 CG GLU A 50 -4.915 -0.291 -12.297 1.00 24.32 C ATOM 751 CD GLU A 50 -3.878 -0.361 -13.400 1.00 41.22 C ATOM 752 OE1 GLU A 50 -4.076 -1.143 -14.354 1.00 15.15 O ATOM 753 OE2 GLU A 50 -2.866 0.367 -13.310 1.00 72.03 O ATOM 0 H GLU A 50 -4.767 -0.362 -9.040 1.00 30.11 H new ATOM 0 HA GLU A 50 -6.861 -1.192 -10.821 1.00 2.04 H new ATOM 0 HB2 GLU A 50 -3.857 -1.280 -10.722 1.00 42.31 H new ATOM 0 HB3 GLU A 50 -4.675 -2.365 -11.829 1.00 42.31 H new ATOM 0 HG2 GLU A 50 -5.911 -0.322 -12.738 1.00 24.32 H new ATOM 0 HG3 GLU A 50 -4.825 0.664 -11.779 1.00 24.32 H new ATOM 760 N GLU A 51 -5.473 -3.361 -8.806 1.00 42.22 N ATOM 761 CA GLU A 51 -5.567 -4.721 -8.291 1.00 31.11 C ATOM 762 C GLU A 51 -6.916 -4.955 -7.617 1.00 1.03 C ATOM 763 O GLU A 51 -7.620 -5.917 -7.927 1.00 50.40 O ATOM 764 CB GLU A 51 -4.434 -4.996 -7.300 1.00 34.22 C ATOM 765 CG GLU A 51 -4.034 -6.459 -7.223 1.00 61.14 C ATOM 766 CD GLU A 51 -3.463 -6.977 -8.529 1.00 42.54 C ATOM 767 OE1 GLU A 51 -2.638 -6.265 -9.139 1.00 12.45 O ATOM 768 OE2 GLU A 51 -3.839 -8.093 -8.941 1.00 75.33 O ATOM 0 H GLU A 51 -4.858 -2.749 -8.270 1.00 42.22 H new ATOM 0 HA GLU A 51 -5.477 -5.408 -9.133 1.00 31.11 H new ATOM 0 HB2 GLU A 51 -3.563 -4.405 -7.583 1.00 34.22 H new ATOM 0 HB3 GLU A 51 -4.739 -4.659 -6.309 1.00 34.22 H new ATOM 0 HG2 GLU A 51 -3.296 -6.589 -6.431 1.00 61.14 H new ATOM 0 HG3 GLU A 51 -4.904 -7.056 -6.949 1.00 61.14 H new ATOM 775 N PHE A 52 -7.269 -4.070 -6.691 1.00 55.31 N ATOM 776 CA PHE A 52 -8.532 -4.180 -5.971 1.00 14.32 C ATOM 777 C PHE A 52 -9.651 -3.461 -6.721 1.00 45.31 C ATOM 778 O PHE A 52 -10.774 -3.357 -6.230 1.00 14.41 O ATOM 779 CB PHE A 52 -8.393 -3.599 -4.562 1.00 11.53 C ATOM 780 CG PHE A 52 -7.314 -4.254 -3.748 1.00 21.53 C ATOM 781 CD1 PHE A 52 -7.580 -5.400 -3.017 1.00 63.22 C ATOM 782 CD2 PHE A 52 -6.035 -3.722 -3.712 1.00 52.11 C ATOM 783 CE1 PHE A 52 -6.590 -6.007 -2.267 1.00 45.33 C ATOM 784 CE2 PHE A 52 -5.041 -4.324 -2.964 1.00 50.53 C ATOM 785 CZ PHE A 52 -5.318 -5.467 -2.240 1.00 75.12 C ATOM 0 H PHE A 52 -6.698 -3.269 -6.422 1.00 55.31 H new ATOM 0 HA PHE A 52 -8.788 -5.237 -5.898 1.00 14.32 H new ATOM 0 HB2 PHE A 52 -8.184 -2.532 -4.637 1.00 11.53 H new ATOM 0 HB3 PHE A 52 -9.344 -3.702 -4.040 1.00 11.53 H new ATOM 0 HD1 PHE A 52 -8.573 -5.825 -3.033 1.00 63.22 H new ATOM 0 HD2 PHE A 52 -5.813 -2.827 -4.275 1.00 52.11 H new ATOM 0 HE1 PHE A 52 -6.810 -6.901 -1.703 1.00 45.33 H new ATOM 0 HE2 PHE A 52 -4.048 -3.901 -2.946 1.00 50.53 H new ATOM 0 HZ PHE A 52 -4.542 -5.938 -1.654 1.00 75.12 H new ATOM 795 N GLY A 53 -9.333 -2.968 -7.913 1.00 45.44 N ATOM 796 CA GLY A 53 -10.320 -2.265 -8.713 1.00 12.42 C ATOM 797 C GLY A 53 -11.007 -1.155 -7.941 1.00 1.31 C ATOM 798 O GLY A 53 -12.153 -0.809 -8.227 1.00 63.11 O ATOM 0 H GLY A 53 -8.410 -3.042 -8.340 1.00 45.44 H new ATOM 0 HA2 GLY A 53 -9.836 -1.845 -9.595 1.00 12.42 H new ATOM 0 HA3 GLY A 53 -11.068 -2.974 -9.067 1.00 12.42 H new ATOM 802 N ILE A 54 -10.305 -0.597 -6.961 1.00 23.33 N ATOM 803 CA ILE A 54 -10.855 0.479 -6.146 1.00 32.14 C ATOM 804 C ILE A 54 -10.412 1.844 -6.665 1.00 65.54 C ATOM 805 O ILE A 54 -9.709 1.937 -7.671 1.00 23.44 O ATOM 806 CB ILE A 54 -10.432 0.341 -4.671 1.00 42.32 C ATOM 807 CG1 ILE A 54 -8.906 0.355 -4.552 1.00 72.41 C ATOM 808 CG2 ILE A 54 -11.004 -0.936 -4.073 1.00 42.33 C ATOM 809 CD1 ILE A 54 -8.413 0.572 -3.139 1.00 62.42 C ATOM 0 H ILE A 54 -9.355 -0.872 -6.712 1.00 23.33 H new ATOM 0 HA ILE A 54 -11.940 0.402 -6.213 1.00 32.14 H new ATOM 0 HB ILE A 54 -10.829 1.189 -4.113 1.00 42.32 H new ATOM 0 HG12 ILE A 54 -8.512 -0.590 -4.925 1.00 72.41 H new ATOM 0 HG13 ILE A 54 -8.507 1.141 -5.192 1.00 72.41 H new ATOM 0 HG21 ILE A 54 -10.696 -1.019 -3.031 1.00 42.33 H new ATOM 0 HG22 ILE A 54 -12.092 -0.908 -4.129 1.00 42.33 H new ATOM 0 HG23 ILE A 54 -10.634 -1.796 -4.630 1.00 42.33 H new ATOM 0 HD11 ILE A 54 -7.323 0.570 -3.130 1.00 62.42 H new ATOM 0 HD12 ILE A 54 -8.778 1.531 -2.770 1.00 62.42 H new ATOM 0 HD13 ILE A 54 -8.783 -0.228 -2.498 1.00 62.42 H new ATOM 821 N ASN A 55 -10.826 2.897 -5.970 1.00 21.03 N ATOM 822 CA ASN A 55 -10.470 4.258 -6.360 1.00 62.32 C ATOM 823 C ASN A 55 -10.192 5.120 -5.133 1.00 55.00 C ATOM 824 O ASN A 55 -11.018 5.210 -4.224 1.00 51.42 O ATOM 825 CB ASN A 55 -11.593 4.881 -7.192 1.00 23.21 C ATOM 826 CG ASN A 55 -12.877 5.041 -6.402 1.00 40.25 C ATOM 827 OD1 ASN A 55 -13.273 6.155 -6.058 1.00 23.12 O ATOM 828 ND2 ASN A 55 -13.535 3.925 -6.111 1.00 54.41 N ATOM 0 H ASN A 55 -11.408 2.836 -5.134 1.00 21.03 H new ATOM 0 HA ASN A 55 -9.563 4.212 -6.962 1.00 62.32 H new ATOM 0 HB2 ASN A 55 -11.272 5.856 -7.559 1.00 23.21 H new ATOM 0 HB3 ASN A 55 -11.783 4.258 -8.066 1.00 23.21 H new ATOM 0 HD21 ASN A 55 -14.406 3.970 -5.582 1.00 54.41 H new ATOM 0 HD22 ASN A 55 -13.170 3.023 -6.417 1.00 54.41 H new ATOM 835 N VAL A 56 -9.024 5.753 -5.114 1.00 25.31 N ATOM 836 CA VAL A 56 -8.636 6.609 -3.999 1.00 40.44 C ATOM 837 C VAL A 56 -7.899 7.851 -4.491 1.00 34.01 C ATOM 838 O VAL A 56 -7.206 7.812 -5.507 1.00 64.32 O ATOM 839 CB VAL A 56 -7.740 5.857 -2.998 1.00 1.32 C ATOM 840 CG1 VAL A 56 -7.473 6.716 -1.770 1.00 65.24 C ATOM 841 CG2 VAL A 56 -8.376 4.533 -2.604 1.00 35.45 C ATOM 0 H VAL A 56 -8.329 5.689 -5.858 1.00 25.31 H new ATOM 0 HA VAL A 56 -9.555 6.910 -3.496 1.00 40.44 H new ATOM 0 HB VAL A 56 -6.785 5.646 -3.479 1.00 1.32 H new ATOM 0 HG11 VAL A 56 -6.838 6.168 -1.074 1.00 65.24 H new ATOM 0 HG12 VAL A 56 -6.972 7.636 -2.071 1.00 65.24 H new ATOM 0 HG13 VAL A 56 -8.418 6.960 -1.284 1.00 65.24 H new ATOM 0 HG21 VAL A 56 -7.729 4.015 -1.896 1.00 35.45 H new ATOM 0 HG22 VAL A 56 -9.345 4.718 -2.141 1.00 35.45 H new ATOM 0 HG23 VAL A 56 -8.510 3.915 -3.492 1.00 35.45 H new ATOM 851 N ASP A 57 -8.055 8.951 -3.762 1.00 2.21 N ATOM 852 CA ASP A 57 -7.403 10.205 -4.122 1.00 50.34 C ATOM 853 C ASP A 57 -6.094 10.376 -3.358 1.00 42.31 C ATOM 854 O ASP A 57 -5.952 9.890 -2.237 1.00 65.01 O ATOM 855 CB ASP A 57 -8.332 11.387 -3.840 1.00 63.23 C ATOM 856 CG ASP A 57 -8.090 12.550 -4.780 1.00 52.44 C ATOM 857 OD1 ASP A 57 -7.951 12.311 -5.998 1.00 40.14 O ATOM 858 OD2 ASP A 57 -8.041 13.702 -4.299 1.00 62.44 O ATOM 0 H ASP A 57 -8.627 9.000 -2.919 1.00 2.21 H new ATOM 0 HA ASP A 57 -7.179 10.176 -5.188 1.00 50.34 H new ATOM 0 HB2 ASP A 57 -9.368 11.061 -3.930 1.00 63.23 H new ATOM 0 HB3 ASP A 57 -8.191 11.719 -2.812 1.00 63.23 H new ATOM 863 N GLU A 58 -5.142 11.071 -3.973 1.00 24.03 N ATOM 864 CA GLU A 58 -3.844 11.304 -3.350 1.00 51.45 C ATOM 865 C GLU A 58 -4.006 11.985 -1.994 1.00 53.23 C ATOM 866 O GLU A 58 -3.355 11.613 -1.018 1.00 44.33 O ATOM 867 CB GLU A 58 -2.963 12.160 -4.261 1.00 43.23 C ATOM 868 CG GLU A 58 -2.200 11.356 -5.302 1.00 23.44 C ATOM 869 CD GLU A 58 -1.463 12.234 -6.293 1.00 53.30 C ATOM 870 OE1 GLU A 58 -1.455 13.468 -6.102 1.00 13.04 O ATOM 871 OE2 GLU A 58 -0.893 11.687 -7.260 1.00 52.04 O ATOM 0 H GLU A 58 -5.245 11.482 -4.901 1.00 24.03 H new ATOM 0 HA GLU A 58 -3.364 10.337 -3.197 1.00 51.45 H new ATOM 0 HB2 GLU A 58 -3.587 12.896 -4.768 1.00 43.23 H new ATOM 0 HB3 GLU A 58 -2.251 12.713 -3.648 1.00 43.23 H new ATOM 0 HG2 GLU A 58 -1.486 10.703 -4.800 1.00 23.44 H new ATOM 0 HG3 GLU A 58 -2.896 10.713 -5.840 1.00 23.44 H new ATOM 878 N ASP A 59 -4.879 12.985 -1.943 1.00 0.54 N ATOM 879 CA ASP A 59 -5.128 13.720 -0.708 1.00 22.34 C ATOM 880 C ASP A 59 -5.520 12.770 0.419 1.00 15.34 C ATOM 881 O ASP A 59 -5.229 13.023 1.589 1.00 50.10 O ATOM 882 CB ASP A 59 -6.228 14.761 -0.921 1.00 22.04 C ATOM 883 CG ASP A 59 -5.853 15.795 -1.964 1.00 44.10 C ATOM 884 OD1 ASP A 59 -4.925 16.590 -1.706 1.00 63.42 O ATOM 885 OD2 ASP A 59 -6.487 15.808 -3.040 1.00 45.43 O ATOM 0 H ASP A 59 -5.426 13.305 -2.742 1.00 0.54 H new ATOM 0 HA ASP A 59 -4.207 14.230 -0.426 1.00 22.34 H new ATOM 0 HB2 ASP A 59 -7.146 14.258 -1.226 1.00 22.04 H new ATOM 0 HB3 ASP A 59 -6.438 15.262 0.024 1.00 22.04 H new ATOM 890 N LYS A 60 -6.184 11.677 0.061 1.00 53.32 N ATOM 891 CA LYS A 60 -6.617 10.688 1.040 1.00 32.24 C ATOM 892 C LYS A 60 -5.450 9.809 1.478 1.00 31.24 C ATOM 893 O LYS A 60 -5.459 9.252 2.576 1.00 63.32 O ATOM 894 CB LYS A 60 -7.734 9.819 0.459 1.00 70.05 C ATOM 895 CG LYS A 60 -9.011 10.586 0.163 1.00 23.12 C ATOM 896 CD LYS A 60 -9.881 10.717 1.402 1.00 74.31 C ATOM 897 CE LYS A 60 -10.784 11.939 1.322 1.00 3.04 C ATOM 898 NZ LYS A 60 -11.710 11.870 0.158 1.00 31.43 N ATOM 0 H LYS A 60 -6.434 11.453 -0.902 1.00 53.32 H new ATOM 0 HA LYS A 60 -6.996 11.220 1.913 1.00 32.24 H new ATOM 0 HB2 LYS A 60 -7.379 9.353 -0.460 1.00 70.05 H new ATOM 0 HB3 LYS A 60 -7.958 9.014 1.159 1.00 70.05 H new ATOM 0 HG2 LYS A 60 -8.762 11.578 -0.215 1.00 23.12 H new ATOM 0 HG3 LYS A 60 -9.569 10.077 -0.623 1.00 23.12 H new ATOM 0 HD2 LYS A 60 -10.490 9.820 1.517 1.00 74.31 H new ATOM 0 HD3 LYS A 60 -9.248 10.788 2.287 1.00 74.31 H new ATOM 0 HE2 LYS A 60 -11.363 12.024 2.242 1.00 3.04 H new ATOM 0 HE3 LYS A 60 -10.172 12.838 1.247 1.00 3.04 H new ATOM 0 HZ1 LYS A 60 -12.397 12.649 0.214 1.00 31.43 H new ATOM 0 HZ2 LYS A 60 -11.165 11.952 -0.724 1.00 31.43 H new ATOM 0 HZ3 LYS A 60 -12.216 10.961 0.170 1.00 31.43 H new ATOM 912 N ALA A 61 -4.447 9.691 0.614 1.00 21.33 N ATOM 913 CA ALA A 61 -3.272 8.882 0.915 1.00 43.21 C ATOM 914 C ALA A 61 -2.146 9.740 1.483 1.00 73.24 C ATOM 915 O ALA A 61 -0.968 9.423 1.314 1.00 14.12 O ATOM 916 CB ALA A 61 -2.803 8.150 -0.334 1.00 22.23 C ATOM 0 H ALA A 61 -4.424 10.145 -0.299 1.00 21.33 H new ATOM 0 HA ALA A 61 -3.550 8.147 1.671 1.00 43.21 H new ATOM 0 HB1 ALA A 61 -1.925 7.550 -0.096 1.00 22.23 H new ATOM 0 HB2 ALA A 61 -3.600 7.500 -0.696 1.00 22.23 H new ATOM 0 HB3 ALA A 61 -2.548 8.875 -1.107 1.00 22.23 H new ATOM 922 N GLN A 62 -2.517 10.826 2.154 1.00 64.44 N ATOM 923 CA GLN A 62 -1.537 11.729 2.745 1.00 44.31 C ATOM 924 C GLN A 62 -1.044 11.195 4.086 1.00 3.21 C ATOM 925 O GLN A 62 0.155 10.991 4.281 1.00 52.12 O ATOM 926 CB GLN A 62 -2.141 13.122 2.927 1.00 23.41 C ATOM 927 CG GLN A 62 -2.319 13.883 1.624 1.00 13.45 C ATOM 928 CD GLN A 62 -0.999 14.293 1.002 1.00 12.44 C ATOM 929 OE1 GLN A 62 -0.504 15.396 1.239 1.00 21.23 O ATOM 930 NE2 GLN A 62 -0.422 13.407 0.200 1.00 24.41 N ATOM 0 H GLN A 62 -3.488 11.101 2.302 1.00 64.44 H new ATOM 0 HA GLN A 62 -0.686 11.796 2.067 1.00 44.31 H new ATOM 0 HB2 GLN A 62 -3.110 13.028 3.418 1.00 23.41 H new ATOM 0 HB3 GLN A 62 -1.501 13.702 3.592 1.00 23.41 H new ATOM 0 HG2 GLN A 62 -2.872 13.263 0.918 1.00 13.45 H new ATOM 0 HG3 GLN A 62 -2.922 14.773 1.807 1.00 13.45 H new ATOM 0 HE21 GLN A 62 -0.868 12.505 0.032 1.00 24.41 H new ATOM 0 HE22 GLN A 62 0.467 13.628 -0.248 1.00 24.41 H new ATOM 939 N ASP A 63 -1.975 10.973 5.007 1.00 41.34 N ATOM 940 CA ASP A 63 -1.635 10.462 6.330 1.00 41.01 C ATOM 941 C ASP A 63 -0.873 9.145 6.225 1.00 63.21 C ATOM 942 O ASP A 63 -0.112 8.784 7.122 1.00 20.45 O ATOM 943 CB ASP A 63 -2.901 10.268 7.166 1.00 54.21 C ATOM 944 CG ASP A 63 -3.463 11.580 7.678 1.00 74.41 C ATOM 945 OD1 ASP A 63 -2.666 12.504 7.945 1.00 71.44 O ATOM 946 OD2 ASP A 63 -4.701 11.682 7.811 1.00 71.13 O ATOM 0 H ASP A 63 -2.971 11.139 4.862 1.00 41.34 H new ATOM 0 HA ASP A 63 -0.993 11.194 6.821 1.00 41.01 H new ATOM 0 HB2 ASP A 63 -3.656 9.763 6.564 1.00 54.21 H new ATOM 0 HB3 ASP A 63 -2.679 9.617 8.011 1.00 54.21 H new ATOM 951 N ILE A 64 -1.084 8.432 5.124 1.00 24.41 N ATOM 952 CA ILE A 64 -0.417 7.155 4.902 1.00 64.51 C ATOM 953 C ILE A 64 1.091 7.282 5.090 1.00 33.53 C ATOM 954 O ILE A 64 1.725 8.172 4.524 1.00 34.25 O ATOM 955 CB ILE A 64 -0.702 6.607 3.491 1.00 32.01 C ATOM 956 CG1 ILE A 64 -2.210 6.482 3.264 1.00 0.44 C ATOM 957 CG2 ILE A 64 -0.019 5.262 3.296 1.00 43.21 C ATOM 958 CD1 ILE A 64 -2.888 5.529 4.223 1.00 53.14 C ATOM 0 H ILE A 64 -1.711 8.717 4.372 1.00 24.41 H new ATOM 0 HA ILE A 64 -0.816 6.459 5.640 1.00 64.51 H new ATOM 0 HB ILE A 64 -0.299 7.306 2.758 1.00 32.01 H new ATOM 0 HG12 ILE A 64 -2.667 7.467 3.360 1.00 0.44 H new ATOM 0 HG13 ILE A 64 -2.389 6.146 2.243 1.00 0.44 H new ATOM 0 HG21 ILE A 64 -0.230 4.888 2.294 1.00 43.21 H new ATOM 0 HG22 ILE A 64 1.058 5.379 3.420 1.00 43.21 H new ATOM 0 HG23 ILE A 64 -0.394 4.553 4.034 1.00 43.21 H new ATOM 0 HD11 ILE A 64 -3.955 5.490 4.004 1.00 53.14 H new ATOM 0 HD12 ILE A 64 -2.458 4.534 4.112 1.00 53.14 H new ATOM 0 HD13 ILE A 64 -2.740 5.876 5.246 1.00 53.14 H new ATOM 970 N SER A 65 1.660 6.384 5.889 1.00 4.24 N ATOM 971 CA SER A 65 3.094 6.397 6.154 1.00 41.45 C ATOM 972 C SER A 65 3.704 5.021 5.908 1.00 62.40 C ATOM 973 O SER A 65 4.665 4.880 5.151 1.00 23.42 O ATOM 974 CB SER A 65 3.364 6.838 7.594 1.00 71.13 C ATOM 975 OG SER A 65 3.121 8.224 7.757 1.00 61.01 O ATOM 0 H SER A 65 1.150 5.639 6.364 1.00 4.24 H new ATOM 0 HA SER A 65 3.559 7.108 5.471 1.00 41.45 H new ATOM 0 HB2 SER A 65 2.730 6.272 8.276 1.00 71.13 H new ATOM 0 HB3 SER A 65 4.397 6.613 7.859 1.00 71.13 H new ATOM 0 HG SER A 65 2.181 8.417 7.559 1.00 61.01 H new ATOM 981 N THR A 66 3.138 4.006 6.554 1.00 23.43 N ATOM 982 CA THR A 66 3.626 2.640 6.409 1.00 61.33 C ATOM 983 C THR A 66 2.642 1.786 5.617 1.00 43.11 C ATOM 984 O THR A 66 1.582 2.262 5.208 1.00 24.14 O ATOM 985 CB THR A 66 3.871 1.982 7.779 1.00 4.03 C ATOM 986 OG1 THR A 66 2.622 1.659 8.398 1.00 31.45 O ATOM 987 CG2 THR A 66 4.670 2.905 8.687 1.00 23.01 C ATOM 0 H THR A 66 2.341 4.104 7.183 1.00 23.43 H new ATOM 0 HA THR A 66 4.571 2.698 5.868 1.00 61.33 H new ATOM 0 HB THR A 66 4.444 1.068 7.621 1.00 4.03 H new ATOM 0 HG1 THR A 66 2.708 0.815 8.888 1.00 31.45 H new ATOM 0 HG21 THR A 66 4.831 2.419 9.649 1.00 23.01 H new ATOM 0 HG22 THR A 66 5.633 3.125 8.226 1.00 23.01 H new ATOM 0 HG23 THR A 66 4.119 3.834 8.837 1.00 23.01 H new ATOM 995 N ILE A 67 2.999 0.525 5.404 1.00 61.41 N ATOM 996 CA ILE A 67 2.145 -0.395 4.662 1.00 23.20 C ATOM 997 C ILE A 67 0.769 -0.511 5.309 1.00 54.33 C ATOM 998 O ILE A 67 -0.255 -0.403 4.635 1.00 5.20 O ATOM 999 CB ILE A 67 2.776 -1.797 4.569 1.00 71.44 C ATOM 1000 CG1 ILE A 67 4.177 -1.711 3.960 1.00 11.23 C ATOM 1001 CG2 ILE A 67 1.891 -2.722 3.746 1.00 74.22 C ATOM 1002 CD1 ILE A 67 4.202 -1.074 2.589 1.00 53.20 C ATOM 0 H ILE A 67 3.873 0.116 5.734 1.00 61.41 H new ATOM 0 HA ILE A 67 2.038 0.014 3.657 1.00 23.20 H new ATOM 0 HB ILE A 67 2.862 -2.208 5.575 1.00 71.44 H new ATOM 0 HG12 ILE A 67 4.821 -1.140 4.629 1.00 11.23 H new ATOM 0 HG13 ILE A 67 4.597 -2.714 3.893 1.00 11.23 H new ATOM 0 HG21 ILE A 67 2.350 -3.709 3.689 1.00 74.22 H new ATOM 0 HG22 ILE A 67 0.912 -2.804 4.218 1.00 74.22 H new ATOM 0 HG23 ILE A 67 1.777 -2.317 2.741 1.00 74.22 H new ATOM 0 HD11 ILE A 67 5.227 -1.046 2.219 1.00 53.20 H new ATOM 0 HD12 ILE A 67 3.585 -1.657 1.905 1.00 53.20 H new ATOM 0 HD13 ILE A 67 3.812 -0.058 2.653 1.00 53.20 H new ATOM 1014 N GLN A 68 0.754 -0.729 6.620 1.00 43.42 N ATOM 1015 CA GLN A 68 -0.496 -0.858 7.358 1.00 33.50 C ATOM 1016 C GLN A 68 -1.421 0.320 7.072 1.00 73.35 C ATOM 1017 O GLN A 68 -2.608 0.136 6.801 1.00 14.43 O ATOM 1018 CB GLN A 68 -0.220 -0.952 8.860 1.00 14.31 C ATOM 1019 CG GLN A 68 -0.136 -2.378 9.376 1.00 61.50 C ATOM 1020 CD GLN A 68 -1.475 -2.905 9.853 1.00 25.51 C ATOM 1021 OE1 GLN A 68 -1.703 -3.057 11.053 1.00 22.44 O ATOM 1022 NE2 GLN A 68 -2.369 -3.189 8.913 1.00 31.21 N ATOM 0 H GLN A 68 1.593 -0.820 7.192 1.00 43.42 H new ATOM 0 HA GLN A 68 -0.989 -1.772 7.029 1.00 33.50 H new ATOM 0 HB2 GLN A 68 0.716 -0.439 9.082 1.00 14.31 H new ATOM 0 HB3 GLN A 68 -1.008 -0.425 9.399 1.00 14.31 H new ATOM 0 HG2 GLN A 68 0.244 -3.025 8.585 1.00 61.50 H new ATOM 0 HG3 GLN A 68 0.581 -2.422 10.196 1.00 61.50 H new ATOM 0 HE21 GLN A 68 -2.138 -3.048 7.930 1.00 31.21 H new ATOM 0 HE22 GLN A 68 -3.287 -3.548 9.174 1.00 31.21 H new ATOM 1031 N GLN A 69 -0.871 1.528 7.133 1.00 45.43 N ATOM 1032 CA GLN A 69 -1.648 2.735 6.881 1.00 11.42 C ATOM 1033 C GLN A 69 -2.374 2.646 5.543 1.00 42.55 C ATOM 1034 O GLN A 69 -3.563 2.950 5.449 1.00 44.13 O ATOM 1035 CB GLN A 69 -0.738 3.965 6.900 1.00 12.02 C ATOM 1036 CG GLN A 69 0.051 4.118 8.190 1.00 40.34 C ATOM 1037 CD GLN A 69 -0.840 4.342 9.396 1.00 23.43 C ATOM 1038 OE1 GLN A 69 -1.648 3.483 9.752 1.00 14.25 O ATOM 1039 NE2 GLN A 69 -0.695 5.498 10.033 1.00 61.21 N ATOM 0 H GLN A 69 0.110 1.697 7.355 1.00 45.43 H new ATOM 0 HA GLN A 69 -2.392 2.829 7.672 1.00 11.42 H new ATOM 0 HB2 GLN A 69 -0.042 3.905 6.063 1.00 12.02 H new ATOM 0 HB3 GLN A 69 -1.344 4.858 6.747 1.00 12.02 H new ATOM 0 HG2 GLN A 69 0.655 3.225 8.350 1.00 40.34 H new ATOM 0 HG3 GLN A 69 0.741 4.956 8.092 1.00 40.34 H new ATOM 0 HE21 GLN A 69 -0.013 6.180 9.702 1.00 61.21 H new ATOM 0 HE22 GLN A 69 -1.266 5.704 10.853 1.00 61.21 H new ATOM 1048 N ALA A 70 -1.650 2.228 4.509 1.00 64.13 N ATOM 1049 CA ALA A 70 -2.226 2.096 3.176 1.00 2.41 C ATOM 1050 C ALA A 70 -3.195 0.921 3.110 1.00 41.20 C ATOM 1051 O ALA A 70 -4.103 0.899 2.280 1.00 71.14 O ATOM 1052 CB ALA A 70 -1.124 1.934 2.139 1.00 75.31 C ATOM 0 H ALA A 70 -0.664 1.975 4.569 1.00 64.13 H new ATOM 0 HA ALA A 70 -2.785 3.006 2.957 1.00 2.41 H new ATOM 0 HB1 ALA A 70 -1.568 1.836 1.148 1.00 75.31 H new ATOM 0 HB2 ALA A 70 -0.473 2.808 2.160 1.00 75.31 H new ATOM 0 HB3 ALA A 70 -0.541 1.041 2.365 1.00 75.31 H new ATOM 1058 N ALA A 71 -2.995 -0.055 3.989 1.00 71.41 N ATOM 1059 CA ALA A 71 -3.852 -1.234 4.031 1.00 13.32 C ATOM 1060 C ALA A 71 -5.213 -0.901 4.633 1.00 35.33 C ATOM 1061 O ALA A 71 -6.236 -1.449 4.221 1.00 13.23 O ATOM 1062 CB ALA A 71 -3.181 -2.347 4.821 1.00 15.34 C ATOM 0 H ALA A 71 -2.247 -0.053 4.682 1.00 71.41 H new ATOM 0 HA ALA A 71 -4.010 -1.575 3.008 1.00 13.32 H new ATOM 0 HB1 ALA A 71 -3.832 -3.221 4.844 1.00 15.34 H new ATOM 0 HB2 ALA A 71 -2.236 -2.611 4.346 1.00 15.34 H new ATOM 0 HB3 ALA A 71 -2.993 -2.008 5.840 1.00 15.34 H new ATOM 1068 N ASP A 72 -5.219 -0.002 5.612 1.00 42.20 N ATOM 1069 CA ASP A 72 -6.455 0.404 6.271 1.00 65.20 C ATOM 1070 C ASP A 72 -7.361 1.163 5.307 1.00 33.20 C ATOM 1071 O ASP A 72 -8.582 1.014 5.339 1.00 73.25 O ATOM 1072 CB ASP A 72 -6.146 1.272 7.491 1.00 4.52 C ATOM 1073 CG ASP A 72 -7.212 1.166 8.562 1.00 14.35 C ATOM 1074 OD1 ASP A 72 -7.198 0.172 9.318 1.00 30.22 O ATOM 1075 OD2 ASP A 72 -8.061 2.078 8.646 1.00 11.23 O ATOM 0 H ASP A 72 -4.381 0.459 5.967 1.00 42.20 H new ATOM 0 HA ASP A 72 -6.976 -0.496 6.598 1.00 65.20 H new ATOM 0 HB2 ASP A 72 -5.184 0.976 7.910 1.00 4.52 H new ATOM 0 HB3 ASP A 72 -6.051 2.312 7.179 1.00 4.52 H new ATOM 1080 N VAL A 73 -6.754 1.978 4.449 1.00 21.15 N ATOM 1081 CA VAL A 73 -7.506 2.760 3.477 1.00 41.34 C ATOM 1082 C VAL A 73 -8.123 1.864 2.409 1.00 50.32 C ATOM 1083 O VAL A 73 -9.290 2.022 2.050 1.00 42.45 O ATOM 1084 CB VAL A 73 -6.614 3.814 2.793 1.00 32.01 C ATOM 1085 CG1 VAL A 73 -7.409 4.599 1.761 1.00 1.14 C ATOM 1086 CG2 VAL A 73 -6.003 4.746 3.829 1.00 21.12 C ATOM 0 H VAL A 73 -5.744 2.113 4.408 1.00 21.15 H new ATOM 0 HA VAL A 73 -8.300 3.267 4.026 1.00 41.34 H new ATOM 0 HB VAL A 73 -5.804 3.299 2.277 1.00 32.01 H new ATOM 0 HG11 VAL A 73 -6.762 5.338 1.289 1.00 1.14 H new ATOM 0 HG12 VAL A 73 -7.794 3.917 1.003 1.00 1.14 H new ATOM 0 HG13 VAL A 73 -8.241 5.105 2.251 1.00 1.14 H new ATOM 0 HG21 VAL A 73 -5.376 5.484 3.329 1.00 21.12 H new ATOM 0 HG22 VAL A 73 -6.798 5.255 4.375 1.00 21.12 H new ATOM 0 HG23 VAL A 73 -5.397 4.168 4.526 1.00 21.12 H new ATOM 1096 N ILE A 74 -7.332 0.922 1.905 1.00 11.44 N ATOM 1097 CA ILE A 74 -7.801 -0.001 0.879 1.00 22.32 C ATOM 1098 C ILE A 74 -8.844 -0.961 1.440 1.00 33.31 C ATOM 1099 O ILE A 74 -9.962 -1.044 0.933 1.00 10.42 O ATOM 1100 CB ILE A 74 -6.638 -0.816 0.282 1.00 40.30 C ATOM 1101 CG1 ILE A 74 -5.588 0.120 -0.321 1.00 34.12 C ATOM 1102 CG2 ILE A 74 -7.157 -1.786 -0.770 1.00 14.22 C ATOM 1103 CD1 ILE A 74 -4.247 -0.541 -0.546 1.00 62.24 C ATOM 0 H ILE A 74 -6.363 0.778 2.191 1.00 11.44 H new ATOM 0 HA ILE A 74 -8.252 0.603 0.092 1.00 22.32 H new ATOM 0 HB ILE A 74 -6.169 -1.392 1.080 1.00 40.30 H new ATOM 0 HG12 ILE A 74 -5.959 0.504 -1.271 1.00 34.12 H new ATOM 0 HG13 ILE A 74 -5.455 0.977 0.339 1.00 34.12 H new ATOM 0 HG21 ILE A 74 -6.324 -2.355 -1.183 1.00 14.22 H new ATOM 0 HG22 ILE A 74 -7.872 -2.470 -0.313 1.00 14.22 H new ATOM 0 HG23 ILE A 74 -7.647 -1.229 -1.568 1.00 14.22 H new ATOM 0 HD11 ILE A 74 -3.553 0.181 -0.975 1.00 62.24 H new ATOM 0 HD12 ILE A 74 -3.855 -0.901 0.405 1.00 62.24 H new ATOM 0 HD13 ILE A 74 -4.366 -1.381 -1.230 1.00 62.24 H new ATOM 1115 N GLU A 75 -8.471 -1.685 2.491 1.00 5.11 N ATOM 1116 CA GLU A 75 -9.375 -2.639 3.121 1.00 62.54 C ATOM 1117 C GLU A 75 -10.696 -1.973 3.493 1.00 33.34 C ATOM 1118 O GLU A 75 -11.748 -2.611 3.495 1.00 5.31 O ATOM 1119 CB GLU A 75 -8.727 -3.244 4.368 1.00 0.01 C ATOM 1120 CG GLU A 75 -8.679 -2.293 5.550 1.00 32.44 C ATOM 1121 CD GLU A 75 -9.885 -2.431 6.460 1.00 5.10 C ATOM 1122 OE1 GLU A 75 -10.321 -3.577 6.695 1.00 33.35 O ATOM 1123 OE2 GLU A 75 -10.393 -1.393 6.935 1.00 63.04 O ATOM 0 H GLU A 75 -7.549 -1.629 2.924 1.00 5.11 H new ATOM 0 HA GLU A 75 -9.578 -3.435 2.404 1.00 62.54 H new ATOM 0 HB2 GLU A 75 -9.278 -4.140 4.655 1.00 0.01 H new ATOM 0 HB3 GLU A 75 -7.712 -3.558 4.124 1.00 0.01 H new ATOM 0 HG2 GLU A 75 -7.772 -2.479 6.125 1.00 32.44 H new ATOM 0 HG3 GLU A 75 -8.620 -1.268 5.184 1.00 32.44 H new ATOM 1130 N GLY A 76 -10.633 -0.683 3.809 1.00 23.15 N ATOM 1131 CA GLY A 76 -11.829 0.050 4.181 1.00 63.50 C ATOM 1132 C GLY A 76 -12.824 0.150 3.041 1.00 33.43 C ATOM 1133 O GLY A 76 -14.034 0.202 3.267 1.00 61.42 O ATOM 0 H GLY A 76 -9.774 -0.132 3.814 1.00 23.15 H new ATOM 0 HA2 GLY A 76 -12.303 -0.441 5.031 1.00 63.50 H new ATOM 0 HA3 GLY A 76 -11.551 1.053 4.506 1.00 63.50 H new ATOM 1137 N LEU A 77 -12.315 0.179 1.815 1.00 35.31 N ATOM 1138 CA LEU A 77 -13.168 0.276 0.635 1.00 24.14 C ATOM 1139 C LEU A 77 -13.765 -1.082 0.282 1.00 72.30 C ATOM 1140 O LEU A 77 -14.943 -1.183 -0.064 1.00 60.45 O ATOM 1141 CB LEU A 77 -12.370 0.818 -0.552 1.00 72.22 C ATOM 1142 CG LEU A 77 -11.849 2.248 -0.413 1.00 3.33 C ATOM 1143 CD1 LEU A 77 -10.843 2.560 -1.511 1.00 73.33 C ATOM 1144 CD2 LEU A 77 -13.000 3.242 -0.444 1.00 40.13 C ATOM 0 H LEU A 77 -11.316 0.137 1.611 1.00 35.31 H new ATOM 0 HA LEU A 77 -13.983 0.963 0.862 1.00 24.14 H new ATOM 0 HB2 LEU A 77 -11.520 0.158 -0.724 1.00 72.22 H new ATOM 0 HB3 LEU A 77 -12.999 0.766 -1.441 1.00 72.22 H new ATOM 0 HG LEU A 77 -11.345 2.337 0.549 1.00 3.33 H new ATOM 0 HD11 LEU A 77 -10.483 3.582 -1.395 1.00 73.33 H new ATOM 0 HD12 LEU A 77 -10.002 1.870 -1.441 1.00 73.33 H new ATOM 0 HD13 LEU A 77 -11.321 2.452 -2.484 1.00 73.33 H new ATOM 0 HD21 LEU A 77 -12.609 4.255 -0.344 1.00 40.13 H new ATOM 0 HD22 LEU A 77 -13.534 3.151 -1.390 1.00 40.13 H new ATOM 0 HD23 LEU A 77 -13.683 3.034 0.379 1.00 40.13 H new ATOM 1156 N LEU A 78 -12.948 -2.125 0.376 1.00 42.31 N ATOM 1157 CA LEU A 78 -13.397 -3.479 0.069 1.00 25.44 C ATOM 1158 C LEU A 78 -14.478 -3.929 1.046 1.00 22.30 C ATOM 1159 O LEU A 78 -15.358 -4.715 0.695 1.00 43.43 O ATOM 1160 CB LEU A 78 -12.216 -4.451 0.114 1.00 34.42 C ATOM 1161 CG LEU A 78 -11.262 -4.405 -1.080 1.00 12.35 C ATOM 1162 CD1 LEU A 78 -10.179 -3.361 -0.856 1.00 40.33 C ATOM 1163 CD2 LEU A 78 -10.644 -5.774 -1.323 1.00 34.41 C ATOM 0 H LEU A 78 -11.971 -2.059 0.662 1.00 42.31 H new ATOM 0 HA LEU A 78 -13.820 -3.476 -0.936 1.00 25.44 H new ATOM 0 HB2 LEU A 78 -11.642 -4.253 1.019 1.00 34.42 H new ATOM 0 HB3 LEU A 78 -12.608 -5.464 0.201 1.00 34.42 H new ATOM 0 HG LEU A 78 -11.832 -4.124 -1.966 1.00 12.35 H new ATOM 0 HD11 LEU A 78 -9.509 -3.342 -1.715 1.00 40.33 H new ATOM 0 HD12 LEU A 78 -10.639 -2.381 -0.732 1.00 40.33 H new ATOM 0 HD13 LEU A 78 -9.612 -3.612 0.041 1.00 40.33 H new ATOM 0 HD21 LEU A 78 -9.968 -5.722 -2.176 1.00 34.41 H new ATOM 0 HD22 LEU A 78 -10.088 -6.084 -0.438 1.00 34.41 H new ATOM 0 HD23 LEU A 78 -11.433 -6.498 -1.529 1.00 34.41 H new