USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 1.62 (180deg=-0.437!) USER MOD Single : A 5 LYS NZ :NH3+ -119:sc= 1.78 (180deg=-0.109) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0.539 (180deg=0.535) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= -0.208 (180deg=-0.449) USER MOD Single : A 42 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.436 (180deg=0.412) USER MOD Single : A 50 MET CE :methyl -142:sc= -0.212 (180deg=-0.911) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= 0.604 (180deg=-1.2) USER MOD Single : A 60 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0.557 (180deg=0.517) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 13:sc= 0.588 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.076) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.474 14.947 -3.252 1.00 30.41 N ATOM 2 CA MET A 1 1.932 13.612 -3.600 1.00 73.02 C ATOM 3 C MET A 1 3.047 12.685 -4.110 1.00 44.21 C ATOM 4 O MET A 1 3.901 13.105 -4.899 1.00 12.21 O ATOM 5 CB MET A 1 0.773 13.733 -4.632 1.00 52.11 C ATOM 6 CG MET A 1 1.118 14.483 -5.932 1.00 63.25 C ATOM 7 SD MET A 1 1.519 16.227 -5.649 1.00 2.52 S ATOM 8 CE MET A 1 1.918 16.775 -7.309 1.00 22.41 C ATOM 0 H1 MET A 1 2.325 15.129 -2.239 1.00 30.41 H new ATOM 0 H2 MET A 1 3.492 14.974 -3.463 1.00 30.41 H new ATOM 0 H3 MET A 1 1.985 15.676 -3.810 1.00 30.41 H new ATOM 0 HA MET A 1 1.520 13.165 -2.695 1.00 73.02 H new ATOM 0 HB2 MET A 1 0.434 12.730 -4.891 1.00 52.11 H new ATOM 0 HB3 MET A 1 -0.065 14.239 -4.153 1.00 52.11 H new ATOM 0 HG2 MET A 1 1.964 13.994 -6.415 1.00 63.25 H new ATOM 0 HG3 MET A 1 0.275 14.415 -6.620 1.00 63.25 H new ATOM 0 HE1 MET A 1 2.185 17.832 -7.289 1.00 22.41 H new ATOM 0 HE2 MET A 1 2.759 16.196 -7.691 1.00 22.41 H new ATOM 0 HE3 MET A 1 1.054 16.631 -7.957 1.00 22.41 H new ATOM 20 N VAL A 2 3.067 11.433 -3.594 1.00 71.32 N ATOM 21 CA VAL A 2 3.984 10.371 -4.058 1.00 23.32 C ATOM 22 C VAL A 2 3.155 9.215 -4.628 1.00 3.23 C ATOM 23 O VAL A 2 2.230 8.734 -3.970 1.00 33.21 O ATOM 24 CB VAL A 2 4.908 9.812 -2.913 1.00 71.22 C ATOM 25 CG1 VAL A 2 5.958 8.822 -3.481 1.00 64.04 C ATOM 26 CG2 VAL A 2 5.582 10.955 -2.132 1.00 73.43 C ATOM 0 H VAL A 2 2.445 11.133 -2.843 1.00 71.32 H new ATOM 0 HA VAL A 2 4.633 10.813 -4.814 1.00 23.32 H new ATOM 0 HB VAL A 2 4.278 9.264 -2.213 1.00 71.22 H new ATOM 0 HG11 VAL A 2 6.584 8.450 -2.670 1.00 64.04 H new ATOM 0 HG12 VAL A 2 5.448 7.985 -3.959 1.00 64.04 H new ATOM 0 HG13 VAL A 2 6.581 9.334 -4.215 1.00 64.04 H new ATOM 0 HG21 VAL A 2 6.214 10.537 -1.348 1.00 73.43 H new ATOM 0 HG22 VAL A 2 6.193 11.549 -2.812 1.00 73.43 H new ATOM 0 HG23 VAL A 2 4.818 11.589 -1.683 1.00 73.43 H new ATOM 36 N ASP A 3 3.465 8.809 -5.854 1.00 62.11 N ATOM 37 CA ASP A 3 2.839 7.650 -6.508 1.00 12.32 C ATOM 38 C ASP A 3 3.379 6.341 -5.886 1.00 32.51 C ATOM 39 O ASP A 3 4.588 6.101 -5.921 1.00 24.12 O ATOM 40 CB ASP A 3 3.148 7.741 -8.023 1.00 21.11 C ATOM 41 CG ASP A 3 2.627 6.567 -8.863 1.00 53.15 C ATOM 42 OD1 ASP A 3 3.349 5.554 -9.016 1.00 24.42 O ATOM 43 OD2 ASP A 3 1.497 6.657 -9.390 1.00 41.22 O ATOM 0 H ASP A 3 4.164 9.275 -6.433 1.00 62.11 H new ATOM 0 HA ASP A 3 1.759 7.649 -6.362 1.00 12.32 H new ATOM 0 HB2 ASP A 3 2.719 8.665 -8.411 1.00 21.11 H new ATOM 0 HB3 ASP A 3 4.228 7.811 -8.155 1.00 21.11 H new ATOM 48 N LEU A 4 2.487 5.533 -5.269 1.00 15.15 N ATOM 49 CA LEU A 4 2.843 4.213 -4.688 1.00 52.22 C ATOM 50 C LEU A 4 1.925 3.124 -5.275 1.00 20.20 C ATOM 51 O LEU A 4 0.745 3.063 -4.956 1.00 2.34 O ATOM 52 CB LEU A 4 2.705 4.235 -3.130 1.00 42.51 C ATOM 53 CG LEU A 4 3.628 5.220 -2.347 1.00 71.31 C ATOM 54 CD1 LEU A 4 3.306 5.178 -0.839 1.00 12.10 C ATOM 55 CD2 LEU A 4 5.122 4.915 -2.605 1.00 43.25 C ATOM 0 H LEU A 4 1.502 5.774 -5.159 1.00 15.15 H new ATOM 0 HA LEU A 4 3.881 3.993 -4.939 1.00 52.22 H new ATOM 0 HB2 LEU A 4 1.670 4.475 -2.886 1.00 42.51 H new ATOM 0 HB3 LEU A 4 2.895 3.228 -2.760 1.00 42.51 H new ATOM 0 HG LEU A 4 3.433 6.229 -2.711 1.00 71.31 H new ATOM 0 HD11 LEU A 4 3.959 5.871 -0.308 1.00 12.10 H new ATOM 0 HD12 LEU A 4 2.267 5.465 -0.681 1.00 12.10 H new ATOM 0 HD13 LEU A 4 3.465 4.168 -0.461 1.00 12.10 H new ATOM 0 HD21 LEU A 4 5.739 5.618 -2.046 1.00 43.25 H new ATOM 0 HD22 LEU A 4 5.347 3.899 -2.282 1.00 43.25 H new ATOM 0 HD23 LEU A 4 5.335 5.013 -3.670 1.00 43.25 H new ATOM 67 N LYS A 5 2.479 2.249 -6.118 1.00 33.01 N ATOM 68 CA LYS A 5 1.733 1.121 -6.723 1.00 52.12 C ATOM 69 C LYS A 5 2.309 -0.189 -6.172 1.00 21.32 C ATOM 70 O LYS A 5 3.433 -0.552 -6.482 1.00 2.13 O ATOM 71 CB LYS A 5 1.777 1.158 -8.294 1.00 71.43 C ATOM 72 CG LYS A 5 0.620 1.929 -8.994 1.00 75.12 C ATOM 73 CD LYS A 5 0.636 3.474 -8.780 1.00 64.51 C ATOM 74 CE LYS A 5 -0.427 3.981 -7.799 1.00 65.12 C ATOM 75 NZ LYS A 5 -0.444 5.466 -7.668 1.00 45.31 N ATOM 0 H LYS A 5 3.456 2.295 -6.406 1.00 33.01 H new ATOM 0 HA LYS A 5 0.680 1.202 -6.454 1.00 52.12 H new ATOM 0 HB2 LYS A 5 2.722 1.606 -8.600 1.00 71.43 H new ATOM 0 HB3 LYS A 5 1.777 0.132 -8.661 1.00 71.43 H new ATOM 0 HG2 LYS A 5 0.662 1.725 -10.064 1.00 75.12 H new ATOM 0 HG3 LYS A 5 -0.330 1.537 -8.632 1.00 75.12 H new ATOM 0 HD2 LYS A 5 1.620 3.770 -8.417 1.00 64.51 H new ATOM 0 HD3 LYS A 5 0.491 3.965 -9.742 1.00 64.51 H new ATOM 0 HE2 LYS A 5 -1.409 3.640 -8.129 1.00 65.12 H new ATOM 0 HE3 LYS A 5 -0.249 3.538 -6.819 1.00 65.12 H new ATOM 0 HZ1 LYS A 5 -0.237 5.730 -6.684 1.00 45.31 H new ATOM 0 HZ2 LYS A 5 0.275 5.878 -8.296 1.00 45.31 H new ATOM 0 HZ3 LYS A 5 -1.383 5.827 -7.933 1.00 45.31 H new ATOM 89 N ILE A 6 1.508 -0.925 -5.391 1.00 42.42 N ATOM 90 CA ILE A 6 1.982 -2.110 -4.672 1.00 44.20 C ATOM 91 C ILE A 6 1.521 -3.337 -5.458 1.00 1.55 C ATOM 92 O ILE A 6 0.322 -3.563 -5.585 1.00 63.22 O ATOM 93 CB ILE A 6 1.437 -2.212 -3.183 1.00 21.25 C ATOM 94 CG1 ILE A 6 1.885 -0.992 -2.299 1.00 53.53 C ATOM 95 CG2 ILE A 6 1.885 -3.554 -2.533 1.00 0.14 C ATOM 96 CD1 ILE A 6 1.127 0.312 -2.533 1.00 62.52 C ATOM 0 H ILE A 6 0.521 -0.716 -5.242 1.00 42.42 H new ATOM 0 HA ILE A 6 3.067 -2.045 -4.596 1.00 44.20 H new ATOM 0 HB ILE A 6 0.348 -2.186 -3.234 1.00 21.25 H new ATOM 0 HG12 ILE A 6 1.778 -1.269 -1.250 1.00 53.53 H new ATOM 0 HG13 ILE A 6 2.945 -0.810 -2.474 1.00 53.53 H new ATOM 0 HG21 ILE A 6 1.504 -3.609 -1.513 1.00 0.14 H new ATOM 0 HG22 ILE A 6 1.491 -4.389 -3.113 1.00 0.14 H new ATOM 0 HG23 ILE A 6 2.974 -3.605 -2.517 1.00 0.14 H new ATOM 0 HD11 ILE A 6 1.518 1.084 -1.871 1.00 62.52 H new ATOM 0 HD12 ILE A 6 1.253 0.625 -3.569 1.00 62.52 H new ATOM 0 HD13 ILE A 6 0.068 0.159 -2.326 1.00 62.52 H new ATOM 108 N ASP A 7 2.475 -4.116 -5.981 1.00 2.13 N ATOM 109 CA ASP A 7 2.172 -5.409 -6.621 1.00 30.20 C ATOM 110 C ASP A 7 1.508 -6.318 -5.581 1.00 3.24 C ATOM 111 O ASP A 7 1.975 -6.355 -4.452 1.00 23.12 O ATOM 112 CB ASP A 7 3.472 -6.077 -7.130 1.00 61.23 C ATOM 113 CG ASP A 7 3.248 -7.504 -7.682 1.00 13.42 C ATOM 114 OD1 ASP A 7 2.788 -7.630 -8.836 1.00 75.25 O ATOM 115 OD2 ASP A 7 3.526 -8.503 -6.966 1.00 51.34 O ATOM 0 H ASP A 7 3.466 -3.876 -5.975 1.00 2.13 H new ATOM 0 HA ASP A 7 1.508 -5.249 -7.471 1.00 30.20 H new ATOM 0 HB2 ASP A 7 3.909 -5.456 -7.912 1.00 61.23 H new ATOM 0 HB3 ASP A 7 4.194 -6.119 -6.315 1.00 61.23 H new ATOM 120 N VAL A 8 0.441 -7.046 -5.953 1.00 71.44 N ATOM 121 CA VAL A 8 -0.200 -8.042 -5.055 1.00 35.32 C ATOM 122 C VAL A 8 -0.354 -9.369 -5.815 1.00 11.50 C ATOM 123 O VAL A 8 -0.940 -9.418 -6.906 1.00 54.22 O ATOM 124 CB VAL A 8 -1.586 -7.568 -4.451 1.00 1.23 C ATOM 125 CG1 VAL A 8 -1.386 -6.367 -3.506 1.00 1.31 C ATOM 126 CG2 VAL A 8 -2.646 -7.245 -5.532 1.00 62.52 C ATOM 0 H VAL A 8 -0.001 -6.968 -6.869 1.00 71.44 H new ATOM 0 HA VAL A 8 0.454 -8.169 -4.192 1.00 35.32 H new ATOM 0 HB VAL A 8 -1.977 -8.410 -3.881 1.00 1.23 H new ATOM 0 HG11 VAL A 8 -2.350 -6.057 -3.102 1.00 1.31 H new ATOM 0 HG12 VAL A 8 -0.725 -6.654 -2.688 1.00 1.31 H new ATOM 0 HG13 VAL A 8 -0.941 -5.539 -4.059 1.00 1.31 H new ATOM 0 HG21 VAL A 8 -3.571 -6.927 -5.051 1.00 62.52 H new ATOM 0 HG22 VAL A 8 -2.278 -6.446 -6.175 1.00 62.52 H new ATOM 0 HG23 VAL A 8 -2.837 -8.135 -6.132 1.00 62.52 H new ATOM 136 N SER A 9 0.221 -10.441 -5.243 1.00 31.44 N ATOM 137 CA SER A 9 0.249 -11.784 -5.857 1.00 3.51 C ATOM 138 C SER A 9 -0.835 -12.705 -5.265 1.00 1.10 C ATOM 139 O SER A 9 -1.115 -13.781 -5.806 1.00 55.42 O ATOM 140 CB SER A 9 1.653 -12.401 -5.671 1.00 25.52 C ATOM 141 OG SER A 9 2.659 -11.532 -6.175 1.00 20.22 O ATOM 0 H SER A 9 0.683 -10.402 -4.335 1.00 31.44 H new ATOM 0 HA SER A 9 0.034 -11.682 -6.921 1.00 3.51 H new ATOM 0 HB2 SER A 9 1.832 -12.596 -4.614 1.00 25.52 H new ATOM 0 HB3 SER A 9 1.704 -13.361 -6.186 1.00 25.52 H new ATOM 0 HG SER A 9 3.540 -11.941 -6.045 1.00 20.22 H new ATOM 147 N ASP A 10 -1.447 -12.261 -4.157 1.00 12.02 N ATOM 148 CA ASP A 10 -2.502 -13.005 -3.449 1.00 74.03 C ATOM 149 C ASP A 10 -3.614 -12.029 -3.007 1.00 13.33 C ATOM 150 O ASP A 10 -3.389 -10.814 -2.911 1.00 63.25 O ATOM 151 CB ASP A 10 -1.878 -13.789 -2.254 1.00 62.50 C ATOM 152 CG ASP A 10 -2.908 -14.381 -1.272 1.00 63.35 C ATOM 153 OD1 ASP A 10 -3.614 -15.343 -1.640 1.00 54.33 O ATOM 154 OD2 ASP A 10 -3.041 -13.865 -0.144 1.00 62.42 O ATOM 0 H ASP A 10 -1.222 -11.366 -3.722 1.00 12.02 H new ATOM 0 HA ASP A 10 -2.961 -13.740 -4.111 1.00 74.03 H new ATOM 0 HB2 ASP A 10 -1.263 -14.598 -2.648 1.00 62.50 H new ATOM 0 HB3 ASP A 10 -1.213 -13.122 -1.705 1.00 62.50 H new ATOM 159 N ASP A 11 -4.802 -12.589 -2.744 1.00 33.51 N ATOM 160 CA ASP A 11 -6.028 -11.833 -2.425 1.00 52.32 C ATOM 161 C ASP A 11 -6.032 -11.379 -0.952 1.00 74.13 C ATOM 162 O ASP A 11 -6.364 -10.229 -0.651 1.00 43.11 O ATOM 163 CB ASP A 11 -7.252 -12.743 -2.703 1.00 64.53 C ATOM 164 CG ASP A 11 -8.607 -12.023 -2.569 1.00 61.24 C ATOM 165 OD1 ASP A 11 -9.125 -11.885 -1.439 1.00 4.12 O ATOM 166 OD2 ASP A 11 -9.166 -11.588 -3.601 1.00 72.22 O ATOM 0 H ASP A 11 -4.944 -13.599 -2.746 1.00 33.51 H new ATOM 0 HA ASP A 11 -6.071 -10.939 -3.047 1.00 52.32 H new ATOM 0 HB2 ASP A 11 -7.167 -13.152 -3.710 1.00 64.53 H new ATOM 0 HB3 ASP A 11 -7.230 -13.586 -2.013 1.00 64.53 H new ATOM 171 N GLU A 12 -5.684 -12.310 -0.044 1.00 42.20 N ATOM 172 CA GLU A 12 -5.738 -12.075 1.408 1.00 4.23 C ATOM 173 C GLU A 12 -4.698 -11.021 1.842 1.00 23.45 C ATOM 174 O GLU A 12 -4.999 -10.157 2.673 1.00 71.33 O ATOM 175 CB GLU A 12 -5.527 -13.406 2.172 1.00 52.30 C ATOM 176 CG GLU A 12 -5.441 -13.279 3.714 1.00 44.12 C ATOM 177 CD GLU A 12 -6.738 -12.781 4.389 1.00 12.52 C ATOM 178 OE1 GLU A 12 -6.916 -11.550 4.560 1.00 71.42 O ATOM 179 OE2 GLU A 12 -7.580 -13.624 4.770 1.00 31.21 O ATOM 0 H GLU A 12 -5.359 -13.243 -0.297 1.00 42.20 H new ATOM 0 HA GLU A 12 -6.725 -11.684 1.655 1.00 4.23 H new ATOM 0 HB2 GLU A 12 -6.346 -14.081 1.925 1.00 52.30 H new ATOM 0 HB3 GLU A 12 -4.610 -13.872 1.811 1.00 52.30 H new ATOM 0 HG2 GLU A 12 -5.179 -14.251 4.132 1.00 44.12 H new ATOM 0 HG3 GLU A 12 -4.630 -12.595 3.965 1.00 44.12 H new ATOM 186 N GLU A 13 -3.469 -11.095 1.286 1.00 35.32 N ATOM 187 CA GLU A 13 -2.432 -10.101 1.579 1.00 43.00 C ATOM 188 C GLU A 13 -2.853 -8.726 1.026 1.00 63.02 C ATOM 189 O GLU A 13 -2.596 -7.721 1.661 1.00 25.12 O ATOM 190 CB GLU A 13 -1.051 -10.557 1.037 1.00 73.11 C ATOM 191 CG GLU A 13 -0.954 -10.760 -0.499 1.00 73.42 C ATOM 192 CD GLU A 13 -0.235 -9.643 -1.282 1.00 40.23 C ATOM 193 OE1 GLU A 13 -0.465 -8.450 -1.002 1.00 45.44 O ATOM 194 OE2 GLU A 13 0.561 -9.953 -2.201 1.00 23.34 O ATOM 0 H GLU A 13 -3.180 -11.828 0.639 1.00 35.32 H new ATOM 0 HA GLU A 13 -2.324 -10.007 2.660 1.00 43.00 H new ATOM 0 HB2 GLU A 13 -0.305 -9.819 1.333 1.00 73.11 H new ATOM 0 HB3 GLU A 13 -0.783 -11.494 1.525 1.00 73.11 H new ATOM 0 HG2 GLU A 13 -0.438 -11.701 -0.690 1.00 73.42 H new ATOM 0 HG3 GLU A 13 -1.964 -10.864 -0.897 1.00 73.42 H new ATOM 201 N ALA A 14 -3.546 -8.720 -0.139 1.00 2.41 N ATOM 202 CA ALA A 14 -4.075 -7.490 -0.762 1.00 62.50 C ATOM 203 C ALA A 14 -5.079 -6.798 0.179 1.00 71.44 C ATOM 204 O ALA A 14 -5.050 -5.575 0.334 1.00 74.25 O ATOM 205 CB ALA A 14 -4.719 -7.814 -2.121 1.00 22.14 C ATOM 0 H ALA A 14 -3.751 -9.567 -0.669 1.00 2.41 H new ATOM 0 HA ALA A 14 -3.249 -6.801 -0.935 1.00 62.50 H new ATOM 0 HB1 ALA A 14 -5.105 -6.898 -2.569 1.00 22.14 H new ATOM 0 HB2 ALA A 14 -3.972 -8.254 -2.782 1.00 22.14 H new ATOM 0 HB3 ALA A 14 -5.537 -8.520 -1.977 1.00 22.14 H new ATOM 211 N GLU A 15 -5.951 -7.616 0.800 1.00 21.43 N ATOM 212 CA GLU A 15 -6.872 -7.180 1.865 1.00 74.13 C ATOM 213 C GLU A 15 -6.100 -6.538 3.029 1.00 51.21 C ATOM 214 O GLU A 15 -6.437 -5.442 3.479 1.00 41.42 O ATOM 215 CB GLU A 15 -7.716 -8.388 2.367 1.00 3.30 C ATOM 216 CG GLU A 15 -8.744 -8.931 1.351 1.00 73.52 C ATOM 217 CD GLU A 15 -9.913 -7.962 1.099 1.00 73.21 C ATOM 218 OE1 GLU A 15 -9.749 -7.008 0.315 1.00 4.53 O ATOM 219 OE2 GLU A 15 -11.002 -8.142 1.692 1.00 72.14 O ATOM 0 H GLU A 15 -6.036 -8.607 0.574 1.00 21.43 H new ATOM 0 HA GLU A 15 -7.545 -6.427 1.454 1.00 74.13 H new ATOM 0 HB2 GLU A 15 -7.038 -9.196 2.643 1.00 3.30 H new ATOM 0 HB3 GLU A 15 -8.244 -8.092 3.273 1.00 3.30 H new ATOM 0 HG2 GLU A 15 -8.239 -9.136 0.407 1.00 73.52 H new ATOM 0 HG3 GLU A 15 -9.138 -9.880 1.714 1.00 73.52 H new ATOM 226 N LYS A 16 -5.029 -7.228 3.460 1.00 54.51 N ATOM 227 CA LYS A 16 -4.157 -6.778 4.556 1.00 63.12 C ATOM 228 C LYS A 16 -3.437 -5.448 4.208 1.00 45.32 C ATOM 229 O LYS A 16 -3.196 -4.637 5.100 1.00 43.35 O ATOM 230 CB LYS A 16 -3.128 -7.890 4.903 1.00 55.32 C ATOM 231 CG LYS A 16 -3.723 -9.163 5.562 1.00 13.32 C ATOM 232 CD LYS A 16 -4.211 -8.909 7.007 1.00 13.45 C ATOM 233 CE LYS A 16 -4.723 -10.182 7.712 1.00 60.32 C ATOM 234 NZ LYS A 16 -5.992 -10.689 7.117 1.00 73.24 N ATOM 0 H LYS A 16 -4.744 -8.119 3.054 1.00 54.51 H new ATOM 0 HA LYS A 16 -4.781 -6.586 5.429 1.00 63.12 H new ATOM 0 HB2 LYS A 16 -2.611 -8.182 3.989 1.00 55.32 H new ATOM 0 HB3 LYS A 16 -2.377 -7.471 5.573 1.00 55.32 H new ATOM 0 HG2 LYS A 16 -4.556 -9.525 4.959 1.00 13.32 H new ATOM 0 HG3 LYS A 16 -2.969 -9.950 5.570 1.00 13.32 H new ATOM 0 HD2 LYS A 16 -3.394 -8.484 7.589 1.00 13.45 H new ATOM 0 HD3 LYS A 16 -5.009 -8.167 6.988 1.00 13.45 H new ATOM 0 HE2 LYS A 16 -3.961 -10.959 7.652 1.00 60.32 H new ATOM 0 HE3 LYS A 16 -4.880 -9.970 8.770 1.00 60.32 H new ATOM 0 HZ1 LYS A 16 -6.269 -11.573 7.591 1.00 73.24 H new ATOM 0 HZ2 LYS A 16 -6.742 -9.979 7.242 1.00 73.24 H new ATOM 0 HZ3 LYS A 16 -5.852 -10.869 6.102 1.00 73.24 H new ATOM 248 N ILE A 17 -3.125 -5.215 2.905 1.00 11.51 N ATOM 249 CA ILE A 17 -2.508 -3.940 2.453 1.00 2.23 C ATOM 250 C ILE A 17 -3.501 -2.790 2.711 1.00 62.42 C ATOM 251 O ILE A 17 -3.157 -1.779 3.319 1.00 12.05 O ATOM 252 CB ILE A 17 -2.106 -3.932 0.915 1.00 21.13 C ATOM 253 CG1 ILE A 17 -1.297 -5.207 0.493 1.00 44.00 C ATOM 254 CG2 ILE A 17 -1.327 -2.642 0.549 1.00 53.42 C ATOM 255 CD1 ILE A 17 -0.133 -5.611 1.393 1.00 50.12 C ATOM 0 H ILE A 17 -3.289 -5.887 2.156 1.00 11.51 H new ATOM 0 HA ILE A 17 -1.585 -3.818 3.021 1.00 2.23 H new ATOM 0 HB ILE A 17 -3.039 -3.949 0.352 1.00 21.13 H new ATOM 0 HG12 ILE A 17 -1.990 -6.046 0.437 1.00 44.00 H new ATOM 0 HG13 ILE A 17 -0.909 -5.046 -0.513 1.00 44.00 H new ATOM 0 HG21 ILE A 17 -1.065 -2.663 -0.509 1.00 53.42 H new ATOM 0 HG22 ILE A 17 -1.950 -1.771 0.751 1.00 53.42 H new ATOM 0 HG23 ILE A 17 -0.418 -2.584 1.147 1.00 53.42 H new ATOM 0 HD11 ILE A 17 0.343 -6.506 0.992 1.00 50.12 H new ATOM 0 HD12 ILE A 17 0.594 -4.800 1.433 1.00 50.12 H new ATOM 0 HD13 ILE A 17 -0.504 -5.816 2.397 1.00 50.12 H new ATOM 267 N ILE A 18 -4.760 -3.023 2.292 1.00 60.15 N ATOM 268 CA ILE A 18 -5.864 -2.051 2.402 1.00 60.01 C ATOM 269 C ILE A 18 -6.120 -1.683 3.875 1.00 55.43 C ATOM 270 O ILE A 18 -6.245 -0.511 4.211 1.00 1.03 O ATOM 271 CB ILE A 18 -7.184 -2.638 1.773 1.00 61.24 C ATOM 272 CG1 ILE A 18 -6.958 -3.052 0.289 1.00 22.34 C ATOM 273 CG2 ILE A 18 -8.376 -1.652 1.888 1.00 44.12 C ATOM 274 CD1 ILE A 18 -8.124 -3.783 -0.333 1.00 64.32 C ATOM 0 H ILE A 18 -5.042 -3.904 1.862 1.00 60.15 H new ATOM 0 HA ILE A 18 -5.575 -1.154 1.855 1.00 60.01 H new ATOM 0 HB ILE A 18 -7.441 -3.528 2.348 1.00 61.24 H new ATOM 0 HG12 ILE A 18 -6.749 -2.158 -0.298 1.00 22.34 H new ATOM 0 HG13 ILE A 18 -6.073 -3.686 0.231 1.00 22.34 H new ATOM 0 HG21 ILE A 18 -9.263 -2.100 1.441 1.00 44.12 H new ATOM 0 HG22 ILE A 18 -8.569 -1.435 2.939 1.00 44.12 H new ATOM 0 HG23 ILE A 18 -8.134 -0.727 1.365 1.00 44.12 H new ATOM 0 HD11 ILE A 18 -7.886 -4.035 -1.366 1.00 64.32 H new ATOM 0 HD12 ILE A 18 -8.321 -4.697 0.228 1.00 64.32 H new ATOM 0 HD13 ILE A 18 -9.008 -3.145 -0.310 1.00 64.32 H new ATOM 286 N ARG A 19 -6.151 -2.714 4.747 1.00 43.22 N ATOM 287 CA ARG A 19 -6.472 -2.541 6.177 1.00 52.04 C ATOM 288 C ARG A 19 -5.353 -1.766 6.893 1.00 61.44 C ATOM 289 O ARG A 19 -5.620 -0.763 7.559 1.00 3.50 O ATOM 290 CB ARG A 19 -6.729 -3.913 6.878 1.00 51.24 C ATOM 291 CG ARG A 19 -7.837 -4.791 6.239 1.00 32.32 C ATOM 292 CD ARG A 19 -9.165 -4.039 5.999 1.00 72.11 C ATOM 293 NE ARG A 19 -10.196 -4.893 5.377 1.00 44.14 N ATOM 294 CZ ARG A 19 -10.253 -5.236 4.077 1.00 1.24 C ATOM 295 NH1 ARG A 19 -9.337 -4.819 3.206 1.00 13.53 N ATOM 296 NH2 ARG A 19 -11.255 -5.977 3.650 1.00 50.30 N ATOM 0 H ARG A 19 -5.956 -3.679 4.482 1.00 43.22 H new ATOM 0 HA ARG A 19 -7.393 -1.961 6.241 1.00 52.04 H new ATOM 0 HB2 ARG A 19 -5.798 -4.479 6.882 1.00 51.24 H new ATOM 0 HB3 ARG A 19 -6.993 -3.726 7.919 1.00 51.24 H new ATOM 0 HG2 ARG A 19 -7.475 -5.183 5.288 1.00 32.32 H new ATOM 0 HG3 ARG A 19 -8.027 -5.648 6.885 1.00 32.32 H new ATOM 0 HD2 ARG A 19 -9.539 -3.657 6.949 1.00 72.11 H new ATOM 0 HD3 ARG A 19 -8.979 -3.176 5.360 1.00 72.11 H new ATOM 0 HE ARG A 19 -10.930 -5.255 5.986 1.00 44.14 H new ATOM 0 HH11 ARG A 19 -8.569 -4.225 3.519 1.00 13.53 H new ATOM 0 HH12 ARG A 19 -9.403 -5.093 2.226 1.00 13.53 H new ATOM 0 HH21 ARG A 19 -11.976 -6.284 4.302 1.00 50.30 H new ATOM 0 HH22 ARG A 19 -11.309 -6.244 2.667 1.00 50.30 H new ATOM 310 N GLU A 20 -4.100 -2.217 6.702 1.00 23.34 N ATOM 311 CA GLU A 20 -2.920 -1.640 7.370 1.00 24.43 C ATOM 312 C GLU A 20 -2.602 -0.201 6.893 1.00 41.24 C ATOM 313 O GLU A 20 -1.964 0.566 7.634 1.00 75.02 O ATOM 314 CB GLU A 20 -1.681 -2.582 7.220 1.00 53.21 C ATOM 315 CG GLU A 20 -1.576 -3.708 8.287 1.00 71.03 C ATOM 316 CD GLU A 20 -2.665 -4.809 8.209 1.00 74.24 C ATOM 317 OE1 GLU A 20 -3.795 -4.599 8.700 1.00 13.02 O ATOM 318 OE2 GLU A 20 -2.373 -5.911 7.687 1.00 10.11 O ATOM 0 H GLU A 20 -3.877 -2.993 6.079 1.00 23.34 H new ATOM 0 HA GLU A 20 -3.163 -1.560 8.429 1.00 24.43 H new ATOM 0 HB2 GLU A 20 -1.710 -3.041 6.232 1.00 53.21 H new ATOM 0 HB3 GLU A 20 -0.776 -1.976 7.263 1.00 53.21 H new ATOM 0 HG2 GLU A 20 -0.599 -4.182 8.194 1.00 71.03 H new ATOM 0 HG3 GLU A 20 -1.616 -3.252 9.276 1.00 71.03 H new ATOM 325 N ILE A 21 -3.036 0.163 5.672 1.00 72.23 N ATOM 326 CA ILE A 21 -2.911 1.546 5.171 1.00 12.44 C ATOM 327 C ILE A 21 -4.061 2.410 5.725 1.00 34.33 C ATOM 328 O ILE A 21 -3.825 3.424 6.381 1.00 75.54 O ATOM 329 CB ILE A 21 -2.878 1.618 3.591 1.00 14.15 C ATOM 330 CG1 ILE A 21 -1.610 0.900 3.022 1.00 53.24 C ATOM 331 CG2 ILE A 21 -2.943 3.079 3.075 1.00 61.34 C ATOM 332 CD1 ILE A 21 -0.280 1.494 3.461 1.00 62.11 C ATOM 0 H ILE A 21 -3.476 -0.480 5.014 1.00 72.23 H new ATOM 0 HA ILE A 21 -1.956 1.936 5.525 1.00 12.44 H new ATOM 0 HB ILE A 21 -3.766 1.098 3.232 1.00 14.15 H new ATOM 0 HG12 ILE A 21 -1.639 -0.147 3.322 1.00 53.24 H new ATOM 0 HG13 ILE A 21 -1.658 0.921 1.933 1.00 53.24 H new ATOM 0 HG21 ILE A 21 -2.918 3.081 1.985 1.00 61.34 H new ATOM 0 HG22 ILE A 21 -3.867 3.545 3.418 1.00 61.34 H new ATOM 0 HG23 ILE A 21 -2.090 3.639 3.459 1.00 61.34 H new ATOM 0 HD11 ILE A 21 0.537 0.927 3.014 1.00 62.11 H new ATOM 0 HD12 ILE A 21 -0.221 2.533 3.137 1.00 62.11 H new ATOM 0 HD13 ILE A 21 -0.202 1.448 4.547 1.00 62.11 H new ATOM 344 N ARG A 22 -5.305 1.956 5.530 1.00 74.01 N ATOM 345 CA ARG A 22 -6.502 2.791 5.768 1.00 43.31 C ATOM 346 C ARG A 22 -6.832 2.948 7.264 1.00 3.03 C ATOM 347 O ARG A 22 -7.630 3.825 7.625 1.00 42.33 O ATOM 348 CB ARG A 22 -7.730 2.263 4.984 1.00 51.13 C ATOM 349 CG ARG A 22 -7.568 2.347 3.450 1.00 62.31 C ATOM 350 CD ARG A 22 -8.865 2.025 2.680 1.00 0.34 C ATOM 351 NE ARG A 22 -9.998 2.906 3.043 1.00 11.23 N ATOM 352 CZ ARG A 22 -10.090 4.226 2.774 1.00 32.20 C ATOM 353 NH1 ARG A 22 -9.119 4.881 2.138 1.00 33.44 N ATOM 354 NH2 ARG A 22 -11.181 4.886 3.137 1.00 52.24 N ATOM 0 H ARG A 22 -5.515 1.012 5.207 1.00 74.01 H new ATOM 0 HA ARG A 22 -6.258 3.784 5.391 1.00 43.31 H new ATOM 0 HB2 ARG A 22 -7.911 1.226 5.265 1.00 51.13 H new ATOM 0 HB3 ARG A 22 -8.611 2.832 5.279 1.00 51.13 H new ATOM 0 HG2 ARG A 22 -7.234 3.349 3.181 1.00 62.31 H new ATOM 0 HG3 ARG A 22 -6.786 1.655 3.136 1.00 62.31 H new ATOM 0 HD2 ARG A 22 -8.675 2.112 1.610 1.00 0.34 H new ATOM 0 HD3 ARG A 22 -9.144 0.989 2.871 1.00 0.34 H new ATOM 0 HE ARG A 22 -10.779 2.478 3.541 1.00 11.23 H new ATOM 0 HH11 ARG A 22 -8.279 4.385 1.841 1.00 33.44 H new ATOM 0 HH12 ARG A 22 -9.216 5.878 1.948 1.00 33.44 H new ATOM 0 HH21 ARG A 22 -11.938 4.396 3.614 1.00 52.24 H new ATOM 0 HH22 ARG A 22 -11.263 5.883 2.940 1.00 52.24 H new ATOM 368 N GLU A 23 -6.230 2.107 8.131 1.00 50.31 N ATOM 369 CA GLU A 23 -6.429 2.204 9.594 1.00 65.11 C ATOM 370 C GLU A 23 -5.741 3.477 10.136 1.00 10.42 C ATOM 371 O GLU A 23 -6.207 4.083 11.103 1.00 60.14 O ATOM 372 CB GLU A 23 -5.892 0.938 10.332 1.00 11.42 C ATOM 373 CG GLU A 23 -4.357 0.754 10.286 1.00 4.14 C ATOM 374 CD GLU A 23 -3.850 -0.365 11.209 1.00 42.35 C ATOM 375 OE1 GLU A 23 -3.853 -0.169 12.445 1.00 40.53 O ATOM 376 OE2 GLU A 23 -3.436 -1.434 10.716 1.00 75.44 O ATOM 0 H GLU A 23 -5.603 1.355 7.845 1.00 50.31 H new ATOM 0 HA GLU A 23 -7.500 2.265 9.785 1.00 65.11 H new ATOM 0 HB2 GLU A 23 -6.206 0.984 11.375 1.00 11.42 H new ATOM 0 HB3 GLU A 23 -6.361 0.056 9.896 1.00 11.42 H new ATOM 0 HG2 GLU A 23 -4.055 0.535 9.262 1.00 4.14 H new ATOM 0 HG3 GLU A 23 -3.877 1.692 10.566 1.00 4.14 H new ATOM 383 N GLN A 24 -4.618 3.860 9.497 1.00 33.32 N ATOM 384 CA GLN A 24 -3.841 5.060 9.854 1.00 43.12 C ATOM 385 C GLN A 24 -4.263 6.242 8.970 1.00 25.24 C ATOM 386 O GLN A 24 -4.415 7.367 9.451 1.00 64.05 O ATOM 387 CB GLN A 24 -2.322 4.780 9.683 1.00 70.05 C ATOM 388 CG GLN A 24 -1.800 3.563 10.473 1.00 31.51 C ATOM 389 CD GLN A 24 -0.316 3.265 10.244 1.00 54.12 C ATOM 390 OE1 GLN A 24 0.485 4.167 10.008 1.00 3.23 O ATOM 391 NE2 GLN A 24 0.062 2.007 10.313 1.00 35.05 N ATOM 0 H GLN A 24 -4.223 3.340 8.713 1.00 33.32 H new ATOM 0 HA GLN A 24 -4.038 5.312 10.896 1.00 43.12 H new ATOM 0 HB2 GLN A 24 -2.111 4.627 8.625 1.00 70.05 H new ATOM 0 HB3 GLN A 24 -1.766 5.664 9.994 1.00 70.05 H new ATOM 0 HG2 GLN A 24 -1.966 3.734 11.537 1.00 31.51 H new ATOM 0 HG3 GLN A 24 -2.384 2.685 10.196 1.00 31.51 H new ATOM 0 HE21 GLN A 24 -0.624 1.278 10.510 1.00 35.05 H new ATOM 0 HE22 GLN A 24 1.041 1.760 10.169 1.00 35.05 H new ATOM 400 N TRP A 25 -4.446 5.969 7.664 1.00 5.10 N ATOM 401 CA TRP A 25 -4.756 6.993 6.647 1.00 2.31 C ATOM 402 C TRP A 25 -6.103 6.666 5.952 1.00 51.24 C ATOM 403 O TRP A 25 -6.118 5.968 4.930 1.00 24.15 O ATOM 404 CB TRP A 25 -3.619 7.074 5.589 1.00 0.41 C ATOM 405 CG TRP A 25 -2.235 7.233 6.173 1.00 33.05 C ATOM 406 CD1 TRP A 25 -1.674 8.371 6.673 1.00 12.13 C ATOM 407 CD2 TRP A 25 -1.238 6.203 6.314 1.00 55.20 C ATOM 408 NE1 TRP A 25 -0.415 8.104 7.140 1.00 64.34 N ATOM 409 CE2 TRP A 25 -0.121 6.789 6.918 1.00 14.22 C ATOM 410 CE3 TRP A 25 -1.186 4.843 5.983 1.00 25.44 C ATOM 411 CZ2 TRP A 25 1.026 6.068 7.207 1.00 21.30 C ATOM 412 CZ3 TRP A 25 -0.046 4.126 6.269 1.00 23.11 C ATOM 413 CH2 TRP A 25 1.050 4.741 6.874 1.00 3.42 C ATOM 0 H TRP A 25 -4.383 5.025 7.282 1.00 5.10 H new ATOM 0 HA TRP A 25 -4.838 7.959 7.145 1.00 2.31 H new ATOM 0 HB2 TRP A 25 -3.641 6.171 4.979 1.00 0.41 H new ATOM 0 HB3 TRP A 25 -3.818 7.914 4.923 1.00 0.41 H new ATOM 0 HD1 TRP A 25 -2.152 9.339 6.697 1.00 12.13 H new ATOM 0 HE1 TRP A 25 0.206 8.781 7.584 1.00 64.34 H new ATOM 0 HE3 TRP A 25 -2.030 4.363 5.509 1.00 25.44 H new ATOM 0 HZ2 TRP A 25 1.875 6.539 7.680 1.00 21.30 H new ATOM 0 HZ3 TRP A 25 0.000 3.076 6.022 1.00 23.11 H new ATOM 0 HH2 TRP A 25 1.935 4.158 7.084 1.00 3.42 H new ATOM 424 N PRO A 26 -7.259 7.145 6.502 1.00 24.03 N ATOM 425 CA PRO A 26 -8.593 6.937 5.867 1.00 2.11 C ATOM 426 C PRO A 26 -8.743 7.702 4.533 1.00 31.42 C ATOM 427 O PRO A 26 -9.574 7.344 3.688 1.00 72.02 O ATOM 428 CB PRO A 26 -9.574 7.471 6.940 1.00 12.54 C ATOM 429 CG PRO A 26 -8.773 8.468 7.726 1.00 41.01 C ATOM 430 CD PRO A 26 -7.375 7.898 7.786 1.00 32.11 C ATOM 0 HA PRO A 26 -8.767 5.896 5.596 1.00 2.11 H new ATOM 0 HB2 PRO A 26 -10.447 7.937 6.482 1.00 12.54 H new ATOM 0 HB3 PRO A 26 -9.940 6.666 7.578 1.00 12.54 H new ATOM 0 HG2 PRO A 26 -8.779 9.445 7.243 1.00 41.01 H new ATOM 0 HG3 PRO A 26 -9.186 8.604 8.726 1.00 41.01 H new ATOM 0 HD2 PRO A 26 -6.623 8.683 7.862 1.00 32.11 H new ATOM 0 HD3 PRO A 26 -7.243 7.245 8.649 1.00 32.11 H new ATOM 438 N LYS A 27 -7.938 8.763 4.364 1.00 31.03 N ATOM 439 CA LYS A 27 -7.950 9.604 3.151 1.00 60.02 C ATOM 440 C LYS A 27 -7.122 8.980 2.014 1.00 13.44 C ATOM 441 O LYS A 27 -7.297 9.358 0.848 1.00 44.42 O ATOM 442 CB LYS A 27 -7.404 11.012 3.479 1.00 73.31 C ATOM 443 CG LYS A 27 -5.895 11.062 3.831 1.00 25.10 C ATOM 444 CD LYS A 27 -5.385 12.495 4.116 1.00 53.43 C ATOM 445 CE LYS A 27 -5.573 13.459 2.929 1.00 1.53 C ATOM 446 NZ LYS A 27 -5.106 14.835 3.253 1.00 54.22 N ATOM 0 H LYS A 27 -7.259 9.064 5.063 1.00 31.03 H new ATOM 0 HA LYS A 27 -8.983 9.678 2.812 1.00 60.02 H new ATOM 0 HB2 LYS A 27 -7.584 11.664 2.624 1.00 73.31 H new ATOM 0 HB3 LYS A 27 -7.971 11.420 4.316 1.00 73.31 H new ATOM 0 HG2 LYS A 27 -5.711 10.437 4.705 1.00 25.10 H new ATOM 0 HG3 LYS A 27 -5.322 10.636 3.008 1.00 25.10 H new ATOM 0 HD2 LYS A 27 -5.910 12.893 4.984 1.00 53.43 H new ATOM 0 HD3 LYS A 27 -4.327 12.451 4.375 1.00 53.43 H new ATOM 0 HE2 LYS A 27 -5.024 13.083 2.065 1.00 1.53 H new ATOM 0 HE3 LYS A 27 -6.626 13.489 2.649 1.00 1.53 H new ATOM 0 HZ1 LYS A 27 -5.249 15.453 2.429 1.00 54.22 H new ATOM 0 HZ2 LYS A 27 -5.647 15.204 4.061 1.00 54.22 H new ATOM 0 HZ3 LYS A 27 -4.095 14.810 3.496 1.00 54.22 H new ATOM 460 N ALA A 28 -6.217 8.045 2.367 1.00 12.43 N ATOM 461 CA ALA A 28 -5.311 7.404 1.406 1.00 72.14 C ATOM 462 C ALA A 28 -6.116 6.603 0.386 1.00 5.21 C ATOM 463 O ALA A 28 -6.763 5.605 0.742 1.00 14.23 O ATOM 464 CB ALA A 28 -4.298 6.504 2.129 1.00 53.02 C ATOM 0 H ALA A 28 -6.098 7.717 3.325 1.00 12.43 H new ATOM 0 HA ALA A 28 -4.753 8.179 0.880 1.00 72.14 H new ATOM 0 HB1 ALA A 28 -3.637 6.039 1.397 1.00 53.02 H new ATOM 0 HB2 ALA A 28 -3.708 7.104 2.822 1.00 53.02 H new ATOM 0 HB3 ALA A 28 -4.829 5.729 2.682 1.00 53.02 H new ATOM 470 N THR A 29 -6.107 7.081 -0.867 1.00 52.20 N ATOM 471 CA THR A 29 -6.800 6.436 -1.970 1.00 25.43 C ATOM 472 C THR A 29 -6.153 5.072 -2.264 1.00 31.42 C ATOM 473 O THR A 29 -5.064 5.005 -2.833 1.00 24.15 O ATOM 474 CB THR A 29 -6.751 7.368 -3.231 1.00 2.23 C ATOM 475 OG1 THR A 29 -7.340 8.644 -2.909 1.00 12.00 O ATOM 476 CG2 THR A 29 -7.470 6.766 -4.452 1.00 65.23 C ATOM 0 H THR A 29 -5.613 7.932 -1.136 1.00 52.20 H new ATOM 0 HA THR A 29 -7.844 6.266 -1.705 1.00 25.43 H new ATOM 0 HB THR A 29 -5.702 7.484 -3.502 1.00 2.23 H new ATOM 0 HG1 THR A 29 -7.308 9.227 -3.696 1.00 12.00 H new ATOM 0 HG21 THR A 29 -7.401 7.457 -5.292 1.00 65.23 H new ATOM 0 HG22 THR A 29 -7.000 5.820 -4.721 1.00 65.23 H new ATOM 0 HG23 THR A 29 -8.518 6.594 -4.208 1.00 65.23 H new ATOM 484 N VAL A 30 -6.825 3.999 -1.811 1.00 24.21 N ATOM 485 CA VAL A 30 -6.409 2.611 -2.050 1.00 60.13 C ATOM 486 C VAL A 30 -7.393 1.990 -3.050 1.00 1.03 C ATOM 487 O VAL A 30 -8.528 1.652 -2.694 1.00 63.11 O ATOM 488 CB VAL A 30 -6.386 1.770 -0.709 1.00 33.01 C ATOM 489 CG1 VAL A 30 -5.926 0.314 -0.957 1.00 42.52 C ATOM 490 CG2 VAL A 30 -5.504 2.448 0.362 1.00 41.12 C ATOM 0 H VAL A 30 -7.682 4.075 -1.263 1.00 24.21 H new ATOM 0 HA VAL A 30 -5.395 2.601 -2.449 1.00 60.13 H new ATOM 0 HB VAL A 30 -7.409 1.735 -0.333 1.00 33.01 H new ATOM 0 HG11 VAL A 30 -5.923 -0.232 -0.014 1.00 42.52 H new ATOM 0 HG12 VAL A 30 -6.610 -0.170 -1.654 1.00 42.52 H new ATOM 0 HG13 VAL A 30 -4.921 0.317 -1.378 1.00 42.52 H new ATOM 0 HG21 VAL A 30 -5.508 1.847 1.271 1.00 41.12 H new ATOM 0 HG22 VAL A 30 -4.483 2.536 -0.010 1.00 41.12 H new ATOM 0 HG23 VAL A 30 -5.897 3.441 0.582 1.00 41.12 H new ATOM 500 N THR A 31 -6.958 1.868 -4.302 1.00 55.04 N ATOM 501 CA THR A 31 -7.751 1.270 -5.367 1.00 60.43 C ATOM 502 C THR A 31 -7.339 -0.198 -5.516 1.00 24.21 C ATOM 503 O THR A 31 -6.258 -0.515 -6.039 1.00 13.42 O ATOM 504 CB THR A 31 -7.571 2.059 -6.699 1.00 62.43 C ATOM 505 OG1 THR A 31 -7.874 3.448 -6.480 1.00 13.32 O ATOM 506 CG2 THR A 31 -8.449 1.516 -7.843 1.00 64.42 C ATOM 0 H THR A 31 -6.037 2.185 -4.606 1.00 55.04 H new ATOM 0 HA THR A 31 -8.811 1.317 -5.115 1.00 60.43 H new ATOM 0 HB THR A 31 -6.532 1.935 -7.006 1.00 62.43 H new ATOM 0 HG1 THR A 31 -7.759 3.944 -7.317 1.00 13.32 H new ATOM 0 HG21 THR A 31 -8.279 2.106 -8.744 1.00 64.42 H new ATOM 0 HG22 THR A 31 -8.191 0.475 -8.037 1.00 64.42 H new ATOM 0 HG23 THR A 31 -9.499 1.582 -7.558 1.00 64.42 H new ATOM 514 N ARG A 32 -8.200 -1.071 -4.993 1.00 2.24 N ATOM 515 CA ARG A 32 -8.023 -2.521 -5.042 1.00 73.21 C ATOM 516 C ARG A 32 -8.326 -3.028 -6.455 1.00 25.20 C ATOM 517 O ARG A 32 -9.450 -2.895 -6.949 1.00 71.31 O ATOM 518 CB ARG A 32 -8.982 -3.186 -4.028 1.00 72.44 C ATOM 519 CG ARG A 32 -8.805 -4.712 -3.878 1.00 40.42 C ATOM 520 CD ARG A 32 -9.927 -5.356 -3.045 1.00 74.25 C ATOM 521 NE ARG A 32 -9.544 -6.668 -2.514 1.00 13.41 N ATOM 522 CZ ARG A 32 -9.736 -7.848 -3.112 1.00 24.33 C ATOM 523 NH1 ARG A 32 -10.317 -7.938 -4.318 1.00 32.01 N ATOM 524 NH2 ARG A 32 -9.368 -8.942 -2.476 1.00 13.53 N ATOM 0 H ARG A 32 -9.055 -0.785 -4.515 1.00 2.24 H new ATOM 0 HA ARG A 32 -6.994 -2.774 -4.786 1.00 73.21 H new ATOM 0 HB2 ARG A 32 -8.839 -2.720 -3.053 1.00 72.44 H new ATOM 0 HB3 ARG A 32 -10.009 -2.981 -4.331 1.00 72.44 H new ATOM 0 HG2 ARG A 32 -8.782 -5.171 -4.866 1.00 40.42 H new ATOM 0 HG3 ARG A 32 -7.844 -4.919 -3.408 1.00 40.42 H new ATOM 0 HD2 ARG A 32 -10.188 -4.695 -2.219 1.00 74.25 H new ATOM 0 HD3 ARG A 32 -10.819 -5.463 -3.662 1.00 74.25 H new ATOM 0 HE ARG A 32 -9.088 -6.682 -1.602 1.00 13.41 H new ATOM 0 HH11 ARG A 32 -10.624 -7.093 -4.801 1.00 32.01 H new ATOM 0 HH12 ARG A 32 -10.452 -8.851 -4.752 1.00 32.01 H new ATOM 0 HH21 ARG A 32 -8.947 -8.876 -1.549 1.00 13.53 H new ATOM 0 HH22 ARG A 32 -9.504 -9.855 -2.911 1.00 13.53 H new ATOM 538 N THR A 33 -7.301 -3.575 -7.101 1.00 45.42 N ATOM 539 CA THR A 33 -7.369 -4.057 -8.473 1.00 12.14 C ATOM 540 C THR A 33 -6.565 -5.370 -8.531 1.00 3.24 C ATOM 541 O THR A 33 -5.426 -5.398 -8.088 1.00 12.00 O ATOM 542 CB THR A 33 -6.843 -2.962 -9.470 1.00 62.12 C ATOM 543 OG1 THR A 33 -6.763 -3.476 -10.805 1.00 0.00 O ATOM 544 CG2 THR A 33 -5.480 -2.373 -9.049 1.00 14.02 C ATOM 0 H THR A 33 -6.382 -3.697 -6.675 1.00 45.42 H new ATOM 0 HA THR A 33 -8.396 -4.257 -8.780 1.00 12.14 H new ATOM 0 HB THR A 33 -7.570 -2.151 -9.440 1.00 62.12 H new ATOM 0 HG1 THR A 33 -6.435 -2.775 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.168 -1.623 -9.775 1.00 14.02 H new ATOM 0 HG22 THR A 33 -5.571 -1.911 -8.066 1.00 14.02 H new ATOM 0 HG23 THR A 33 -4.737 -3.169 -9.008 1.00 14.02 H new ATOM 552 N ASN A 34 -7.168 -6.458 -9.020 1.00 21.14 N ATOM 553 CA ASN A 34 -6.518 -7.789 -9.011 1.00 45.11 C ATOM 554 C ASN A 34 -5.203 -7.744 -9.834 1.00 3.35 C ATOM 555 O ASN A 34 -5.230 -7.630 -11.068 1.00 13.31 O ATOM 556 CB ASN A 34 -7.481 -8.886 -9.533 1.00 25.24 C ATOM 557 CG ASN A 34 -8.761 -9.042 -8.687 1.00 41.14 C ATOM 558 OD1 ASN A 34 -9.276 -8.077 -8.115 1.00 70.14 O ATOM 559 ND2 ASN A 34 -9.295 -10.253 -8.611 1.00 52.05 N ATOM 0 H ASN A 34 -8.103 -6.452 -9.428 1.00 21.14 H new ATOM 0 HA ASN A 34 -6.267 -8.048 -7.982 1.00 45.11 H new ATOM 0 HB2 ASN A 34 -7.761 -8.652 -10.560 1.00 25.24 H new ATOM 0 HB3 ASN A 34 -6.953 -9.839 -9.556 1.00 25.24 H new ATOM 0 HD21 ASN A 34 -10.148 -10.401 -8.072 1.00 52.05 H new ATOM 0 HD22 ASN A 34 -8.853 -11.036 -9.092 1.00 52.05 H new ATOM 566 N GLY A 35 -4.064 -7.806 -9.111 1.00 31.12 N ATOM 567 CA GLY A 35 -2.731 -7.606 -9.694 1.00 64.42 C ATOM 568 C GLY A 35 -1.903 -6.562 -8.945 1.00 43.12 C ATOM 569 O GLY A 35 -0.705 -6.771 -8.717 1.00 44.05 O ATOM 0 H GLY A 35 -4.049 -7.996 -8.109 1.00 31.12 H new ATOM 0 HA2 GLY A 35 -2.195 -8.555 -9.695 1.00 64.42 H new ATOM 0 HA3 GLY A 35 -2.838 -7.299 -10.734 1.00 64.42 H new ATOM 573 N ASP A 36 -2.538 -5.423 -8.568 1.00 4.03 N ATOM 574 CA ASP A 36 -1.851 -4.273 -7.912 1.00 61.40 C ATOM 575 C ASP A 36 -2.739 -3.599 -6.841 1.00 40.54 C ATOM 576 O ASP A 36 -3.888 -3.967 -6.625 1.00 2.11 O ATOM 577 CB ASP A 36 -1.433 -3.194 -8.950 1.00 64.42 C ATOM 578 CG ASP A 36 -0.441 -3.685 -10.016 1.00 53.23 C ATOM 579 OD1 ASP A 36 0.734 -3.945 -9.680 1.00 32.51 O ATOM 580 OD2 ASP A 36 -0.827 -3.789 -11.203 1.00 12.42 O ATOM 0 H ASP A 36 -3.537 -5.273 -8.708 1.00 4.03 H new ATOM 0 HA ASP A 36 -0.965 -4.688 -7.432 1.00 61.40 H new ATOM 0 HB2 ASP A 36 -2.328 -2.822 -9.449 1.00 64.42 H new ATOM 0 HB3 ASP A 36 -0.990 -2.351 -8.420 1.00 64.42 H new ATOM 585 N ILE A 37 -2.158 -2.609 -6.155 1.00 74.43 N ATOM 586 CA ILE A 37 -2.864 -1.682 -5.263 1.00 3.12 C ATOM 587 C ILE A 37 -2.442 -0.269 -5.676 1.00 24.14 C ATOM 588 O ILE A 37 -1.268 0.093 -5.539 1.00 13.30 O ATOM 589 CB ILE A 37 -2.524 -1.939 -3.733 1.00 1.51 C ATOM 590 CG1 ILE A 37 -3.137 -3.288 -3.229 1.00 73.41 C ATOM 591 CG2 ILE A 37 -2.970 -0.756 -2.829 1.00 2.34 C ATOM 592 CD1 ILE A 37 -4.658 -3.371 -3.265 1.00 53.02 C ATOM 0 H ILE A 37 -1.156 -2.425 -6.206 1.00 74.43 H new ATOM 0 HA ILE A 37 -3.940 -1.825 -5.358 1.00 3.12 H new ATOM 0 HB ILE A 37 -1.439 -2.013 -3.660 1.00 1.51 H new ATOM 0 HG12 ILE A 37 -2.732 -4.099 -3.834 1.00 73.41 H new ATOM 0 HG13 ILE A 37 -2.805 -3.457 -2.205 1.00 73.41 H new ATOM 0 HG21 ILE A 37 -2.718 -0.976 -1.792 1.00 2.34 H new ATOM 0 HG22 ILE A 37 -2.458 0.154 -3.142 1.00 2.34 H new ATOM 0 HG23 ILE A 37 -4.047 -0.616 -2.918 1.00 2.34 H new ATOM 0 HD11 ILE A 37 -4.978 -4.345 -2.896 1.00 53.02 H new ATOM 0 HD12 ILE A 37 -5.080 -2.588 -2.636 1.00 53.02 H new ATOM 0 HD13 ILE A 37 -5.005 -3.240 -4.290 1.00 53.02 H new ATOM 604 N LYS A 38 -3.381 0.514 -6.217 1.00 61.04 N ATOM 605 CA LYS A 38 -3.106 1.893 -6.626 1.00 52.41 C ATOM 606 C LYS A 38 -3.282 2.812 -5.396 1.00 70.10 C ATOM 607 O LYS A 38 -4.402 3.096 -4.984 1.00 62.42 O ATOM 608 CB LYS A 38 -4.037 2.306 -7.820 1.00 44.41 C ATOM 609 CG LYS A 38 -3.470 2.062 -9.248 1.00 53.32 C ATOM 610 CD LYS A 38 -3.125 0.586 -9.562 1.00 63.45 C ATOM 611 CE LYS A 38 -2.641 0.393 -11.016 1.00 75.04 C ATOM 612 NZ LYS A 38 -2.286 -1.023 -11.308 1.00 4.01 N ATOM 0 H LYS A 38 -4.342 0.214 -6.382 1.00 61.04 H new ATOM 0 HA LYS A 38 -2.082 1.989 -6.986 1.00 52.41 H new ATOM 0 HB2 LYS A 38 -4.976 1.761 -7.726 1.00 44.41 H new ATOM 0 HB3 LYS A 38 -4.272 3.366 -7.721 1.00 44.41 H new ATOM 0 HG2 LYS A 38 -4.198 2.414 -9.979 1.00 53.32 H new ATOM 0 HG3 LYS A 38 -2.572 2.666 -9.376 1.00 53.32 H new ATOM 0 HD2 LYS A 38 -2.351 0.242 -8.875 1.00 63.45 H new ATOM 0 HD3 LYS A 38 -4.004 -0.035 -9.389 1.00 63.45 H new ATOM 0 HE2 LYS A 38 -3.422 0.719 -11.703 1.00 75.04 H new ATOM 0 HE3 LYS A 38 -1.773 1.028 -11.195 1.00 75.04 H new ATOM 0 HZ1 LYS A 38 -2.131 -1.138 -12.330 1.00 4.01 H new ATOM 0 HZ2 LYS A 38 -1.417 -1.276 -10.795 1.00 4.01 H new ATOM 0 HZ3 LYS A 38 -3.062 -1.645 -11.003 1.00 4.01 H new ATOM 626 N LEU A 39 -2.148 3.264 -4.824 1.00 43.21 N ATOM 627 CA LEU A 39 -2.105 4.091 -3.599 1.00 50.23 C ATOM 628 C LEU A 39 -1.423 5.431 -3.905 1.00 2.13 C ATOM 629 O LEU A 39 -0.548 5.518 -4.778 1.00 24.15 O ATOM 630 CB LEU A 39 -1.340 3.340 -2.460 1.00 13.42 C ATOM 631 CG LEU A 39 -1.143 4.110 -1.105 1.00 41.31 C ATOM 632 CD1 LEU A 39 -2.493 4.485 -0.467 1.00 52.51 C ATOM 633 CD2 LEU A 39 -0.264 3.304 -0.120 1.00 61.43 C ATOM 0 H LEU A 39 -1.223 3.063 -5.204 1.00 43.21 H new ATOM 0 HA LEU A 39 -3.124 4.278 -3.261 1.00 50.23 H new ATOM 0 HB2 LEU A 39 -1.873 2.413 -2.248 1.00 13.42 H new ATOM 0 HB3 LEU A 39 -0.356 3.063 -2.838 1.00 13.42 H new ATOM 0 HG LEU A 39 -0.618 5.038 -1.333 1.00 41.31 H new ATOM 0 HD11 LEU A 39 -2.318 5.016 0.469 1.00 52.51 H new ATOM 0 HD12 LEU A 39 -3.052 5.125 -1.149 1.00 52.51 H new ATOM 0 HD13 LEU A 39 -3.066 3.579 -0.268 1.00 52.51 H new ATOM 0 HD21 LEU A 39 -0.148 3.865 0.807 1.00 61.43 H new ATOM 0 HD22 LEU A 39 -0.740 2.347 0.093 1.00 61.43 H new ATOM 0 HD23 LEU A 39 0.716 3.131 -0.565 1.00 61.43 H new ATOM 645 N ASP A 40 -1.849 6.483 -3.198 1.00 15.05 N ATOM 646 CA ASP A 40 -1.257 7.825 -3.294 1.00 34.23 C ATOM 647 C ASP A 40 -0.899 8.328 -1.886 1.00 42.02 C ATOM 648 O ASP A 40 -1.756 8.368 -0.994 1.00 2.21 O ATOM 649 CB ASP A 40 -2.243 8.798 -4.001 1.00 5.13 C ATOM 650 CG ASP A 40 -2.450 8.479 -5.499 1.00 73.31 C ATOM 651 OD1 ASP A 40 -3.190 7.525 -5.826 1.00 50.44 O ATOM 652 OD2 ASP A 40 -1.873 9.181 -6.359 1.00 24.42 O ATOM 0 H ASP A 40 -2.623 6.428 -2.536 1.00 15.05 H new ATOM 0 HA ASP A 40 -0.346 7.780 -3.891 1.00 34.23 H new ATOM 0 HB2 ASP A 40 -3.206 8.761 -3.492 1.00 5.13 H new ATOM 0 HB3 ASP A 40 -1.870 9.817 -3.902 1.00 5.13 H new ATOM 657 N ALA A 41 0.388 8.655 -1.684 1.00 12.10 N ATOM 658 CA ALA A 41 0.881 9.322 -0.470 1.00 60.52 C ATOM 659 C ALA A 41 0.787 10.842 -0.617 1.00 55.04 C ATOM 660 O ALA A 41 0.584 11.357 -1.723 1.00 74.01 O ATOM 661 CB ALA A 41 2.325 8.893 -0.177 1.00 1.50 C ATOM 0 H ALA A 41 1.121 8.461 -2.366 1.00 12.10 H new ATOM 0 HA ALA A 41 0.255 9.023 0.371 1.00 60.52 H new ATOM 0 HB1 ALA A 41 2.678 9.394 0.724 1.00 1.50 H new ATOM 0 HB2 ALA A 41 2.361 7.814 -0.030 1.00 1.50 H new ATOM 0 HB3 ALA A 41 2.963 9.166 -1.017 1.00 1.50 H new ATOM 667 N GLN A 42 0.925 11.552 0.511 1.00 15.15 N ATOM 668 CA GLN A 42 0.849 13.022 0.554 1.00 63.40 C ATOM 669 C GLN A 42 2.250 13.650 0.355 1.00 30.54 C ATOM 670 O GLN A 42 2.436 14.547 -0.471 1.00 0.13 O ATOM 671 CB GLN A 42 0.229 13.481 1.903 1.00 41.42 C ATOM 672 CG GLN A 42 -1.119 12.811 2.270 1.00 61.21 C ATOM 673 CD GLN A 42 -2.255 13.038 1.255 1.00 61.10 C ATOM 674 OE1 GLN A 42 -3.102 12.165 1.059 1.00 4.23 O ATOM 675 NE2 GLN A 42 -2.324 14.218 0.644 1.00 34.44 N ATOM 0 H GLN A 42 1.093 11.124 1.422 1.00 15.15 H new ATOM 0 HA GLN A 42 0.210 13.363 -0.260 1.00 63.40 H new ATOM 0 HB2 GLN A 42 0.945 13.281 2.700 1.00 41.42 H new ATOM 0 HB3 GLN A 42 0.083 14.561 1.869 1.00 41.42 H new ATOM 0 HG2 GLN A 42 -0.957 11.738 2.378 1.00 61.21 H new ATOM 0 HG3 GLN A 42 -1.441 13.184 3.242 1.00 61.21 H new ATOM 0 HE21 GLN A 42 -1.612 14.926 0.821 1.00 34.44 H new ATOM 0 HE22 GLN A 42 -3.089 14.414 -0.001 1.00 34.44 H new ATOM 684 N THR A 43 3.225 13.158 1.141 1.00 13.45 N ATOM 685 CA THR A 43 4.625 13.647 1.149 1.00 53.41 C ATOM 686 C THR A 43 5.585 12.443 1.052 1.00 4.12 C ATOM 687 O THR A 43 5.123 11.293 1.039 1.00 5.04 O ATOM 688 CB THR A 43 4.930 14.465 2.458 1.00 40.03 C ATOM 689 OG1 THR A 43 4.841 13.601 3.607 1.00 52.55 O ATOM 690 CG2 THR A 43 3.968 15.662 2.641 1.00 33.43 C ATOM 0 H THR A 43 3.064 12.397 1.801 1.00 13.45 H new ATOM 0 HA THR A 43 4.768 14.308 0.294 1.00 53.41 H new ATOM 0 HB THR A 43 5.940 14.863 2.361 1.00 40.03 H new ATOM 0 HG1 THR A 43 5.034 14.115 4.419 1.00 52.55 H new ATOM 0 HG21 THR A 43 4.220 16.194 3.558 1.00 33.43 H new ATOM 0 HG22 THR A 43 4.063 16.338 1.791 1.00 33.43 H new ATOM 0 HG23 THR A 43 2.942 15.298 2.702 1.00 33.43 H new ATOM 698 N GLU A 44 6.910 12.711 0.978 1.00 50.32 N ATOM 699 CA GLU A 44 7.946 11.650 0.911 1.00 53.43 C ATOM 700 C GLU A 44 7.924 10.811 2.187 1.00 64.41 C ATOM 701 O GLU A 44 7.879 9.590 2.118 1.00 41.32 O ATOM 702 CB GLU A 44 9.386 12.210 0.689 1.00 23.13 C ATOM 703 CG GLU A 44 9.619 12.935 -0.651 1.00 45.33 C ATOM 704 CD GLU A 44 8.923 14.300 -0.730 1.00 42.32 C ATOM 705 OE1 GLU A 44 9.439 15.272 -0.148 1.00 72.12 O ATOM 706 OE2 GLU A 44 7.845 14.405 -1.348 1.00 73.25 O ATOM 0 H GLU A 44 7.289 13.658 0.963 1.00 50.32 H new ATOM 0 HA GLU A 44 7.700 11.035 0.045 1.00 53.43 H new ATOM 0 HB2 GLU A 44 9.617 12.900 1.500 1.00 23.13 H new ATOM 0 HB3 GLU A 44 10.093 11.384 0.762 1.00 23.13 H new ATOM 0 HG2 GLU A 44 10.690 13.071 -0.801 1.00 45.33 H new ATOM 0 HG3 GLU A 44 9.261 12.304 -1.465 1.00 45.33 H new ATOM 713 N LYS A 45 7.930 11.506 3.346 1.00 41.32 N ATOM 714 CA LYS A 45 7.881 10.878 4.682 1.00 71.12 C ATOM 715 C LYS A 45 6.612 10.033 4.829 1.00 21.24 C ATOM 716 O LYS A 45 6.661 8.929 5.377 1.00 54.31 O ATOM 717 CB LYS A 45 7.909 11.951 5.801 1.00 73.31 C ATOM 718 CG LYS A 45 7.915 11.385 7.246 1.00 2.23 C ATOM 719 CD LYS A 45 7.646 12.475 8.311 1.00 3.10 C ATOM 720 CE LYS A 45 6.233 13.067 8.195 1.00 22.11 C ATOM 721 NZ LYS A 45 6.000 14.156 9.179 1.00 1.33 N ATOM 0 H LYS A 45 7.969 12.525 3.379 1.00 41.32 H new ATOM 0 HA LYS A 45 8.759 10.239 4.780 1.00 71.12 H new ATOM 0 HB2 LYS A 45 8.794 12.573 5.666 1.00 73.31 H new ATOM 0 HB3 LYS A 45 7.041 12.600 5.684 1.00 73.31 H new ATOM 0 HG2 LYS A 45 7.158 10.605 7.330 1.00 2.23 H new ATOM 0 HG3 LYS A 45 8.879 10.917 7.445 1.00 2.23 H new ATOM 0 HD2 LYS A 45 7.778 12.049 9.305 1.00 3.10 H new ATOM 0 HD3 LYS A 45 8.382 13.272 8.205 1.00 3.10 H new ATOM 0 HE2 LYS A 45 6.084 13.452 7.186 1.00 22.11 H new ATOM 0 HE3 LYS A 45 5.496 12.278 8.347 1.00 22.11 H new ATOM 0 HZ1 LYS A 45 5.035 14.526 9.065 1.00 1.33 H new ATOM 0 HZ2 LYS A 45 6.116 13.784 10.143 1.00 1.33 H new ATOM 0 HZ3 LYS A 45 6.685 14.921 9.018 1.00 1.33 H new ATOM 735 N GLU A 46 5.491 10.569 4.308 1.00 33.42 N ATOM 736 CA GLU A 46 4.193 9.886 4.333 1.00 72.32 C ATOM 737 C GLU A 46 4.291 8.555 3.564 1.00 51.20 C ATOM 738 O GLU A 46 3.831 7.522 4.040 1.00 31.23 O ATOM 739 CB GLU A 46 3.087 10.781 3.711 1.00 75.21 C ATOM 740 CG GLU A 46 1.646 10.364 4.068 1.00 15.30 C ATOM 741 CD GLU A 46 1.267 10.675 5.533 1.00 44.21 C ATOM 742 OE1 GLU A 46 1.661 9.914 6.448 1.00 52.41 O ATOM 743 OE2 GLU A 46 0.595 11.703 5.780 1.00 13.12 O ATOM 0 H GLU A 46 5.465 11.485 3.860 1.00 33.42 H new ATOM 0 HA GLU A 46 3.926 9.685 5.370 1.00 72.32 H new ATOM 0 HB2 GLU A 46 3.245 11.809 4.036 1.00 75.21 H new ATOM 0 HB3 GLU A 46 3.196 10.770 2.627 1.00 75.21 H new ATOM 0 HG2 GLU A 46 0.951 10.877 3.403 1.00 15.30 H new ATOM 0 HG3 GLU A 46 1.529 9.295 3.888 1.00 15.30 H new ATOM 750 N ALA A 47 4.910 8.618 2.369 1.00 4.52 N ATOM 751 CA ALA A 47 5.235 7.441 1.546 1.00 1.03 C ATOM 752 C ALA A 47 6.148 6.438 2.262 1.00 3.24 C ATOM 753 O ALA A 47 5.959 5.235 2.107 1.00 44.34 O ATOM 754 CB ALA A 47 5.882 7.886 0.231 1.00 25.11 C ATOM 0 H ALA A 47 5.201 9.499 1.945 1.00 4.52 H new ATOM 0 HA ALA A 47 4.294 6.927 1.349 1.00 1.03 H new ATOM 0 HB1 ALA A 47 6.120 7.010 -0.372 1.00 25.11 H new ATOM 0 HB2 ALA A 47 5.191 8.527 -0.316 1.00 25.11 H new ATOM 0 HB3 ALA A 47 6.797 8.439 0.444 1.00 25.11 H new ATOM 760 N GLU A 48 7.133 6.943 3.040 1.00 5.34 N ATOM 761 CA GLU A 48 8.068 6.090 3.805 1.00 35.32 C ATOM 762 C GLU A 48 7.306 5.206 4.811 1.00 63.21 C ATOM 763 O GLU A 48 7.683 4.068 5.053 1.00 13.45 O ATOM 764 CB GLU A 48 9.123 6.931 4.582 1.00 23.33 C ATOM 765 CG GLU A 48 9.977 7.897 3.734 1.00 54.02 C ATOM 766 CD GLU A 48 10.844 7.232 2.648 1.00 60.41 C ATOM 767 OE1 GLU A 48 11.463 6.181 2.920 1.00 24.54 O ATOM 768 OE2 GLU A 48 10.940 7.778 1.527 1.00 54.41 O ATOM 0 H GLU A 48 7.300 7.943 3.154 1.00 5.34 H new ATOM 0 HA GLU A 48 8.584 5.466 3.076 1.00 35.32 H new ATOM 0 HB2 GLU A 48 8.605 7.511 5.346 1.00 23.33 H new ATOM 0 HB3 GLU A 48 9.793 6.246 5.102 1.00 23.33 H new ATOM 0 HG2 GLU A 48 9.313 8.617 3.255 1.00 54.02 H new ATOM 0 HG3 GLU A 48 10.629 8.460 4.402 1.00 54.02 H new ATOM 775 N LYS A 49 6.235 5.778 5.380 1.00 64.25 N ATOM 776 CA LYS A 49 5.367 5.117 6.369 1.00 70.22 C ATOM 777 C LYS A 49 4.402 4.132 5.671 1.00 74.34 C ATOM 778 O LYS A 49 4.205 3.007 6.128 1.00 52.33 O ATOM 779 CB LYS A 49 4.554 6.205 7.110 1.00 72.41 C ATOM 780 CG LYS A 49 5.402 7.304 7.785 1.00 52.25 C ATOM 781 CD LYS A 49 4.562 8.545 8.153 1.00 42.12 C ATOM 782 CE LYS A 49 3.463 8.242 9.176 1.00 0.11 C ATOM 783 NZ LYS A 49 2.527 9.379 9.341 1.00 43.14 N ATOM 0 H LYS A 49 5.941 6.730 5.163 1.00 64.25 H new ATOM 0 HA LYS A 49 5.980 4.554 7.073 1.00 70.22 H new ATOM 0 HB2 LYS A 49 3.874 6.676 6.400 1.00 72.41 H new ATOM 0 HB3 LYS A 49 3.939 5.723 7.870 1.00 72.41 H new ATOM 0 HG2 LYS A 49 5.866 6.901 8.686 1.00 52.25 H new ATOM 0 HG3 LYS A 49 6.210 7.600 7.116 1.00 52.25 H new ATOM 0 HD2 LYS A 49 5.220 9.317 8.553 1.00 42.12 H new ATOM 0 HD3 LYS A 49 4.107 8.950 7.249 1.00 42.12 H new ATOM 0 HE2 LYS A 49 2.908 7.359 8.860 1.00 0.11 H new ATOM 0 HE3 LYS A 49 3.918 8.005 10.138 1.00 0.11 H new ATOM 0 HZ1 LYS A 49 1.735 9.091 9.950 1.00 43.14 H new ATOM 0 HZ2 LYS A 49 3.027 10.179 9.779 1.00 43.14 H new ATOM 0 HZ3 LYS A 49 2.162 9.666 8.410 1.00 43.14 H new ATOM 797 N MET A 50 3.775 4.633 4.589 1.00 42.01 N ATOM 798 CA MET A 50 2.802 3.873 3.772 1.00 11.52 C ATOM 799 C MET A 50 3.420 2.573 3.214 1.00 42.40 C ATOM 800 O MET A 50 2.943 1.478 3.535 1.00 51.44 O ATOM 801 CB MET A 50 2.197 4.747 2.633 1.00 63.23 C ATOM 802 CG MET A 50 1.212 5.822 3.112 1.00 21.15 C ATOM 803 SD MET A 50 0.400 6.675 1.747 1.00 21.10 S ATOM 804 CE MET A 50 -0.745 7.743 2.622 1.00 54.34 C ATOM 0 H MET A 50 3.929 5.584 4.253 1.00 42.01 H new ATOM 0 HA MET A 50 1.983 3.589 4.433 1.00 11.52 H new ATOM 0 HB2 MET A 50 3.010 5.232 2.093 1.00 63.23 H new ATOM 0 HB3 MET A 50 1.687 4.095 1.923 1.00 63.23 H new ATOM 0 HG2 MET A 50 0.457 5.360 3.748 1.00 21.15 H new ATOM 0 HG3 MET A 50 1.744 6.549 3.725 1.00 21.15 H new ATOM 0 HE1 MET A 50 -1.684 7.798 2.071 1.00 54.34 H new ATOM 0 HE2 MET A 50 -0.931 7.339 3.617 1.00 54.34 H new ATOM 0 HE3 MET A 50 -0.317 8.741 2.710 1.00 54.34 H new ATOM 814 N GLU A 51 4.492 2.701 2.405 1.00 21.42 N ATOM 815 CA GLU A 51 5.214 1.536 1.832 1.00 34.03 C ATOM 816 C GLU A 51 5.744 0.579 2.940 1.00 32.31 C ATOM 817 O GLU A 51 5.833 -0.624 2.731 1.00 53.44 O ATOM 818 CB GLU A 51 6.378 2.003 0.905 1.00 60.04 C ATOM 819 CG GLU A 51 7.605 2.576 1.630 1.00 12.31 C ATOM 820 CD GLU A 51 8.730 3.003 0.675 1.00 63.50 C ATOM 821 OE1 GLU A 51 9.509 2.126 0.229 1.00 33.11 O ATOM 822 OE2 GLU A 51 8.848 4.212 0.368 1.00 3.55 O ATOM 0 H GLU A 51 4.882 3.603 2.130 1.00 21.42 H new ATOM 0 HA GLU A 51 4.497 0.976 1.232 1.00 34.03 H new ATOM 0 HB2 GLU A 51 6.698 1.157 0.297 1.00 60.04 H new ATOM 0 HB3 GLU A 51 5.994 2.760 0.221 1.00 60.04 H new ATOM 0 HG2 GLU A 51 7.298 3.435 2.226 1.00 12.31 H new ATOM 0 HG3 GLU A 51 7.991 1.829 2.324 1.00 12.31 H new ATOM 829 N LYS A 52 6.030 1.154 4.130 1.00 33.23 N ATOM 830 CA LYS A 52 6.533 0.404 5.305 1.00 13.13 C ATOM 831 C LYS A 52 5.394 -0.429 5.923 1.00 72.15 C ATOM 832 O LYS A 52 5.613 -1.567 6.334 1.00 32.24 O ATOM 833 CB LYS A 52 7.142 1.364 6.362 1.00 72.32 C ATOM 834 CG LYS A 52 7.771 0.678 7.598 1.00 53.30 C ATOM 835 CD LYS A 52 8.338 1.687 8.632 1.00 41.24 C ATOM 836 CE LYS A 52 7.254 2.610 9.228 1.00 72.21 C ATOM 837 NZ LYS A 52 7.820 3.567 10.225 1.00 71.21 N ATOM 0 H LYS A 52 5.919 2.153 4.304 1.00 33.23 H new ATOM 0 HA LYS A 52 7.324 -0.268 4.972 1.00 13.13 H new ATOM 0 HB2 LYS A 52 7.906 1.973 5.878 1.00 72.32 H new ATOM 0 HB3 LYS A 52 6.361 2.044 6.703 1.00 72.32 H new ATOM 0 HG2 LYS A 52 7.019 0.055 8.082 1.00 53.30 H new ATOM 0 HG3 LYS A 52 8.571 0.015 7.270 1.00 53.30 H new ATOM 0 HD2 LYS A 52 8.824 1.138 9.439 1.00 41.24 H new ATOM 0 HD3 LYS A 52 9.105 2.297 8.154 1.00 41.24 H new ATOM 0 HE2 LYS A 52 6.771 3.167 8.425 1.00 72.21 H new ATOM 0 HE3 LYS A 52 6.484 2.004 9.704 1.00 72.21 H new ATOM 0 HZ1 LYS A 52 7.059 4.168 10.600 1.00 71.21 H new ATOM 0 HZ2 LYS A 52 8.259 3.037 11.005 1.00 71.21 H new ATOM 0 HZ3 LYS A 52 8.537 4.164 9.765 1.00 71.21 H new ATOM 851 N ALA A 53 4.175 0.149 5.948 1.00 1.43 N ATOM 852 CA ALA A 53 2.961 -0.514 6.473 1.00 64.32 C ATOM 853 C ALA A 53 2.580 -1.724 5.600 1.00 24.25 C ATOM 854 O ALA A 53 2.102 -2.748 6.106 1.00 3.44 O ATOM 855 CB ALA A 53 1.795 0.487 6.557 1.00 72.12 C ATOM 0 H ALA A 53 4.003 1.093 5.603 1.00 1.43 H new ATOM 0 HA ALA A 53 3.175 -0.877 7.478 1.00 64.32 H new ATOM 0 HB1 ALA A 53 0.910 -0.017 6.945 1.00 72.12 H new ATOM 0 HB2 ALA A 53 2.066 1.307 7.222 1.00 72.12 H new ATOM 0 HB3 ALA A 53 1.582 0.881 5.563 1.00 72.12 H new ATOM 861 N VAL A 54 2.799 -1.575 4.286 1.00 21.33 N ATOM 862 CA VAL A 54 2.700 -2.675 3.313 1.00 73.14 C ATOM 863 C VAL A 54 3.737 -3.784 3.628 1.00 5.15 C ATOM 864 O VAL A 54 3.426 -4.976 3.581 1.00 21.44 O ATOM 865 CB VAL A 54 2.942 -2.132 1.859 1.00 34.11 C ATOM 866 CG1 VAL A 54 2.881 -3.260 0.812 1.00 31.20 C ATOM 867 CG2 VAL A 54 1.952 -0.996 1.519 1.00 32.32 C ATOM 0 H VAL A 54 3.052 -0.681 3.864 1.00 21.33 H new ATOM 0 HA VAL A 54 1.699 -3.100 3.382 1.00 73.14 H new ATOM 0 HB VAL A 54 3.950 -1.718 1.828 1.00 34.11 H new ATOM 0 HG11 VAL A 54 3.053 -2.845 -0.181 1.00 31.20 H new ATOM 0 HG12 VAL A 54 3.648 -4.003 1.032 1.00 31.20 H new ATOM 0 HG13 VAL A 54 1.899 -3.732 0.842 1.00 31.20 H new ATOM 0 HG21 VAL A 54 2.142 -0.639 0.507 1.00 32.32 H new ATOM 0 HG22 VAL A 54 0.931 -1.371 1.586 1.00 32.32 H new ATOM 0 HG23 VAL A 54 2.084 -0.175 2.224 1.00 32.32 H new ATOM 877 N LYS A 55 4.979 -3.356 3.921 1.00 0.22 N ATOM 878 CA LYS A 55 6.091 -4.261 4.295 1.00 2.30 C ATOM 879 C LYS A 55 5.876 -4.948 5.662 1.00 73.04 C ATOM 880 O LYS A 55 6.559 -5.929 5.972 1.00 33.04 O ATOM 881 CB LYS A 55 7.440 -3.497 4.237 1.00 75.32 C ATOM 882 CG LYS A 55 7.804 -3.002 2.815 1.00 32.41 C ATOM 883 CD LYS A 55 8.984 -2.006 2.801 1.00 42.13 C ATOM 884 CE LYS A 55 9.219 -1.371 1.422 1.00 10.41 C ATOM 885 NZ LYS A 55 9.526 -2.376 0.370 1.00 22.32 N ATOM 0 H LYS A 55 5.244 -2.371 3.906 1.00 0.22 H new ATOM 0 HA LYS A 55 6.116 -5.070 3.564 1.00 2.30 H new ATOM 0 HB2 LYS A 55 7.394 -2.642 4.911 1.00 75.32 H new ATOM 0 HB3 LYS A 55 8.234 -4.148 4.602 1.00 75.32 H new ATOM 0 HG2 LYS A 55 8.054 -3.860 2.191 1.00 32.41 H new ATOM 0 HG3 LYS A 55 6.931 -2.527 2.368 1.00 32.41 H new ATOM 0 HD2 LYS A 55 8.795 -1.218 3.530 1.00 42.13 H new ATOM 0 HD3 LYS A 55 9.891 -2.522 3.116 1.00 42.13 H new ATOM 0 HE2 LYS A 55 8.333 -0.806 1.131 1.00 10.41 H new ATOM 0 HE3 LYS A 55 10.042 -0.660 1.490 1.00 10.41 H new ATOM 0 HZ1 LYS A 55 9.675 -1.893 -0.539 1.00 22.32 H new ATOM 0 HZ2 LYS A 55 10.387 -2.899 0.630 1.00 22.32 H new ATOM 0 HZ3 LYS A 55 8.731 -3.041 0.282 1.00 22.32 H new ATOM 899 N LYS A 56 4.914 -4.451 6.467 1.00 4.43 N ATOM 900 CA LYS A 56 4.488 -5.131 7.718 1.00 44.25 C ATOM 901 C LYS A 56 3.564 -6.335 7.407 1.00 20.15 C ATOM 902 O LYS A 56 3.270 -7.146 8.286 1.00 70.42 O ATOM 903 CB LYS A 56 3.792 -4.131 8.694 1.00 14.40 C ATOM 904 CG LYS A 56 4.632 -2.879 9.056 1.00 12.44 C ATOM 905 CD LYS A 56 6.056 -3.199 9.581 1.00 51.51 C ATOM 906 CE LYS A 56 6.051 -4.005 10.887 1.00 24.51 C ATOM 907 NZ LYS A 56 7.427 -4.281 11.378 1.00 11.43 N ATOM 0 H LYS A 56 4.415 -3.582 6.277 1.00 4.43 H new ATOM 0 HA LYS A 56 5.382 -5.511 8.212 1.00 44.25 H new ATOM 0 HB2 LYS A 56 2.853 -3.804 8.247 1.00 14.40 H new ATOM 0 HB3 LYS A 56 3.540 -4.659 9.613 1.00 14.40 H new ATOM 0 HG2 LYS A 56 4.716 -2.244 8.174 1.00 12.44 H new ATOM 0 HG3 LYS A 56 4.099 -2.304 9.813 1.00 12.44 H new ATOM 0 HD2 LYS A 56 6.600 -3.757 8.819 1.00 51.51 H new ATOM 0 HD3 LYS A 56 6.596 -2.266 9.739 1.00 51.51 H new ATOM 0 HE2 LYS A 56 5.498 -3.456 11.649 1.00 24.51 H new ATOM 0 HE3 LYS A 56 5.527 -4.948 10.729 1.00 24.51 H new ATOM 0 HZ1 LYS A 56 7.377 -4.827 12.262 1.00 11.43 H new ATOM 0 HZ2 LYS A 56 7.948 -4.827 10.662 1.00 11.43 H new ATOM 0 HZ3 LYS A 56 7.920 -3.382 11.554 1.00 11.43 H new ATOM 921 N VAL A 57 3.092 -6.413 6.151 1.00 22.14 N ATOM 922 CA VAL A 57 2.368 -7.580 5.608 1.00 10.13 C ATOM 923 C VAL A 57 3.358 -8.492 4.844 1.00 25.24 C ATOM 924 O VAL A 57 3.261 -9.722 4.893 1.00 61.11 O ATOM 925 CB VAL A 57 1.218 -7.124 4.627 1.00 12.41 C ATOM 926 CG1 VAL A 57 0.401 -8.329 4.104 1.00 1.03 C ATOM 927 CG2 VAL A 57 0.306 -6.053 5.279 1.00 5.41 C ATOM 0 H VAL A 57 3.203 -5.658 5.474 1.00 22.14 H new ATOM 0 HA VAL A 57 1.921 -8.125 6.440 1.00 10.13 H new ATOM 0 HB VAL A 57 1.694 -6.661 3.763 1.00 12.41 H new ATOM 0 HG11 VAL A 57 -0.381 -7.974 3.432 1.00 1.03 H new ATOM 0 HG12 VAL A 57 1.061 -9.010 3.566 1.00 1.03 H new ATOM 0 HG13 VAL A 57 -0.053 -8.853 4.945 1.00 1.03 H new ATOM 0 HG21 VAL A 57 -0.474 -5.762 4.576 1.00 5.41 H new ATOM 0 HG22 VAL A 57 -0.152 -6.464 6.179 1.00 5.41 H new ATOM 0 HG23 VAL A 57 0.902 -5.179 5.542 1.00 5.41 H new ATOM 937 N LYS A 58 4.332 -7.855 4.169 1.00 25.30 N ATOM 938 CA LYS A 58 5.241 -8.532 3.219 1.00 52.21 C ATOM 939 C LYS A 58 6.568 -7.726 3.080 1.00 13.41 C ATOM 940 O LYS A 58 6.593 -6.726 2.361 1.00 41.23 O ATOM 941 CB LYS A 58 4.531 -8.775 1.848 1.00 53.23 C ATOM 942 CG LYS A 58 3.796 -7.569 1.242 1.00 53.12 C ATOM 943 CD LYS A 58 3.174 -7.912 -0.124 1.00 11.12 C ATOM 944 CE LYS A 58 2.529 -6.708 -0.793 1.00 32.11 C ATOM 945 NZ LYS A 58 1.812 -7.095 -2.023 1.00 1.32 N ATOM 0 H LYS A 58 4.513 -6.856 4.265 1.00 25.30 H new ATOM 0 HA LYS A 58 5.502 -9.516 3.608 1.00 52.21 H new ATOM 0 HB2 LYS A 58 5.278 -9.117 1.131 1.00 53.23 H new ATOM 0 HB3 LYS A 58 3.814 -9.586 1.973 1.00 53.23 H new ATOM 0 HG2 LYS A 58 3.014 -7.238 1.925 1.00 53.12 H new ATOM 0 HG3 LYS A 58 4.492 -6.738 1.127 1.00 53.12 H new ATOM 0 HD2 LYS A 58 3.946 -8.317 -0.779 1.00 11.12 H new ATOM 0 HD3 LYS A 58 2.426 -8.694 0.008 1.00 11.12 H new ATOM 0 HE2 LYS A 58 1.835 -6.233 -0.100 1.00 32.11 H new ATOM 0 HE3 LYS A 58 3.294 -5.970 -1.033 1.00 32.11 H new ATOM 0 HZ1 LYS A 58 1.841 -6.309 -2.704 1.00 1.32 H new ATOM 0 HZ2 LYS A 58 2.266 -7.932 -2.441 1.00 1.32 H new ATOM 0 HZ3 LYS A 58 0.822 -7.317 -1.793 1.00 1.32 H new ATOM 959 N PRO A 59 7.692 -8.149 3.761 1.00 23.25 N ATOM 960 CA PRO A 59 8.977 -7.367 3.807 1.00 64.23 C ATOM 961 C PRO A 59 9.556 -7.027 2.410 1.00 14.30 C ATOM 962 O PRO A 59 10.045 -5.911 2.176 1.00 45.55 O ATOM 963 CB PRO A 59 9.937 -8.298 4.600 1.00 52.51 C ATOM 964 CG PRO A 59 9.030 -9.182 5.404 1.00 61.14 C ATOM 965 CD PRO A 59 7.815 -9.415 4.531 1.00 40.22 C ATOM 0 HA PRO A 59 8.828 -6.389 4.266 1.00 64.23 H new ATOM 0 HB2 PRO A 59 10.567 -8.882 3.929 1.00 52.51 H new ATOM 0 HB3 PRO A 59 10.604 -7.724 5.244 1.00 52.51 H new ATOM 0 HG2 PRO A 59 9.520 -10.123 5.654 1.00 61.14 H new ATOM 0 HG3 PRO A 59 8.752 -8.707 6.345 1.00 61.14 H new ATOM 0 HD2 PRO A 59 7.952 -10.273 3.873 1.00 40.22 H new ATOM 0 HD3 PRO A 59 6.924 -9.610 5.127 1.00 40.22 H new ATOM 973 N ASN A 60 9.438 -7.987 1.485 1.00 32.20 N ATOM 974 CA ASN A 60 10.027 -7.900 0.130 1.00 45.12 C ATOM 975 C ASN A 60 8.953 -7.396 -0.879 1.00 3.21 C ATOM 976 O ASN A 60 8.946 -7.768 -2.055 1.00 72.14 O ATOM 977 CB ASN A 60 10.601 -9.313 -0.221 1.00 44.11 C ATOM 978 CG ASN A 60 11.471 -9.373 -1.483 1.00 14.35 C ATOM 979 OD1 ASN A 60 10.987 -9.656 -2.576 1.00 43.45 O ATOM 980 ND2 ASN A 60 12.763 -9.124 -1.337 1.00 61.44 N ATOM 0 H ASN A 60 8.929 -8.855 1.650 1.00 32.20 H new ATOM 0 HA ASN A 60 10.842 -7.178 0.081 1.00 45.12 H new ATOM 0 HB2 ASN A 60 11.191 -9.667 0.624 1.00 44.11 H new ATOM 0 HB3 ASN A 60 9.768 -10.006 -0.341 1.00 44.11 H new ATOM 0 HD21 ASN A 60 13.385 -9.165 -2.145 1.00 61.44 H new ATOM 0 HD22 ASN A 60 13.137 -8.892 -0.417 1.00 61.44 H new ATOM 987 N ALA A 61 8.012 -6.563 -0.381 1.00 72.40 N ATOM 988 CA ALA A 61 7.013 -5.855 -1.205 1.00 12.15 C ATOM 989 C ALA A 61 7.660 -5.000 -2.317 1.00 2.12 C ATOM 990 O ALA A 61 8.379 -4.028 -2.028 1.00 50.05 O ATOM 991 CB ALA A 61 6.142 -4.963 -0.304 1.00 65.35 C ATOM 0 H ALA A 61 7.926 -6.363 0.615 1.00 72.40 H new ATOM 0 HA ALA A 61 6.400 -6.611 -1.696 1.00 12.15 H new ATOM 0 HB1 ALA A 61 5.404 -4.440 -0.913 1.00 65.35 H new ATOM 0 HB2 ALA A 61 5.631 -5.581 0.434 1.00 65.35 H new ATOM 0 HB3 ALA A 61 6.773 -4.235 0.206 1.00 65.35 H new ATOM 997 N THR A 62 7.393 -5.383 -3.578 1.00 12.23 N ATOM 998 CA THR A 62 7.754 -4.599 -4.761 1.00 62.13 C ATOM 999 C THR A 62 6.753 -3.437 -4.911 1.00 74.50 C ATOM 1000 O THR A 62 5.599 -3.638 -5.324 1.00 34.21 O ATOM 1001 CB THR A 62 7.745 -5.481 -6.053 1.00 61.43 C ATOM 1002 OG1 THR A 62 8.586 -6.632 -5.865 1.00 32.31 O ATOM 1003 CG2 THR A 62 8.225 -4.691 -7.288 1.00 21.33 C ATOM 0 H THR A 62 6.915 -6.256 -3.801 1.00 12.23 H new ATOM 0 HA THR A 62 8.765 -4.212 -4.632 1.00 62.13 H new ATOM 0 HB THR A 62 6.717 -5.795 -6.231 1.00 61.43 H new ATOM 0 HG1 THR A 62 8.575 -7.181 -6.677 1.00 32.31 H new ATOM 0 HG21 THR A 62 8.204 -5.338 -8.165 1.00 21.33 H new ATOM 0 HG22 THR A 62 7.568 -3.837 -7.452 1.00 21.33 H new ATOM 0 HG23 THR A 62 9.243 -4.338 -7.121 1.00 21.33 H new ATOM 1011 N ILE A 63 7.193 -2.235 -4.513 1.00 62.55 N ATOM 1012 CA ILE A 63 6.368 -1.018 -4.523 1.00 72.53 C ATOM 1013 C ILE A 63 6.946 -0.032 -5.545 1.00 40.43 C ATOM 1014 O ILE A 63 8.108 0.355 -5.447 1.00 44.44 O ATOM 1015 CB ILE A 63 6.332 -0.400 -3.070 1.00 52.40 C ATOM 1016 CG1 ILE A 63 5.741 -1.456 -2.077 1.00 22.12 C ATOM 1017 CG2 ILE A 63 5.525 0.931 -3.023 1.00 31.21 C ATOM 1018 CD1 ILE A 63 6.035 -1.220 -0.619 1.00 52.01 C ATOM 0 H ILE A 63 8.141 -2.078 -4.172 1.00 62.55 H new ATOM 0 HA ILE A 63 5.343 -1.249 -4.814 1.00 72.53 H new ATOM 0 HB ILE A 63 7.351 -0.153 -2.772 1.00 52.40 H new ATOM 0 HG12 ILE A 63 4.660 -1.487 -2.210 1.00 22.12 H new ATOM 0 HG13 ILE A 63 6.124 -2.439 -2.351 1.00 22.12 H new ATOM 0 HG21 ILE A 63 5.526 1.321 -2.005 1.00 31.21 H new ATOM 0 HG22 ILE A 63 5.985 1.659 -3.691 1.00 31.21 H new ATOM 0 HG23 ILE A 63 4.499 0.746 -3.340 1.00 31.21 H new ATOM 0 HD11 ILE A 63 5.578 -2.010 -0.023 1.00 52.01 H new ATOM 0 HD12 ILE A 63 7.113 -1.223 -0.460 1.00 52.01 H new ATOM 0 HD13 ILE A 63 5.626 -0.256 -0.317 1.00 52.01 H new ATOM 1030 N ARG A 64 6.119 0.346 -6.528 1.00 73.11 N ATOM 1031 CA ARG A 64 6.498 1.223 -7.642 1.00 11.12 C ATOM 1032 C ARG A 64 6.334 2.679 -7.191 1.00 71.54 C ATOM 1033 O ARG A 64 5.209 3.179 -7.075 1.00 3.44 O ATOM 1034 CB ARG A 64 5.611 0.927 -8.887 1.00 50.44 C ATOM 1035 CG ARG A 64 5.714 -0.519 -9.430 1.00 61.44 C ATOM 1036 CD ARG A 64 7.141 -0.903 -9.876 1.00 53.01 C ATOM 1037 NE ARG A 64 7.194 -2.243 -10.491 1.00 14.33 N ATOM 1038 CZ ARG A 64 8.311 -2.981 -10.644 1.00 42.05 C ATOM 1039 NH1 ARG A 64 9.499 -2.529 -10.227 1.00 73.22 N ATOM 1040 NH2 ARG A 64 8.232 -4.165 -11.235 1.00 53.23 N ATOM 0 H ARG A 64 5.146 0.043 -6.571 1.00 73.11 H new ATOM 0 HA ARG A 64 7.536 1.043 -7.924 1.00 11.12 H new ATOM 0 HB2 ARG A 64 4.571 1.131 -8.631 1.00 50.44 H new ATOM 0 HB3 ARG A 64 5.885 1.619 -9.683 1.00 50.44 H new ATOM 0 HG2 ARG A 64 5.382 -1.214 -8.659 1.00 61.44 H new ATOM 0 HG3 ARG A 64 5.034 -0.632 -10.274 1.00 61.44 H new ATOM 0 HD2 ARG A 64 7.508 -0.164 -10.588 1.00 53.01 H new ATOM 0 HD3 ARG A 64 7.809 -0.874 -9.015 1.00 53.01 H new ATOM 0 HE ARG A 64 6.317 -2.642 -10.826 1.00 14.33 H new ATOM 0 HH11 ARG A 64 9.569 -1.612 -9.785 1.00 73.22 H new ATOM 0 HH12 ARG A 64 10.334 -3.101 -10.351 1.00 73.22 H new ATOM 0 HH21 ARG A 64 7.332 -4.509 -11.569 1.00 53.23 H new ATOM 0 HH22 ARG A 64 9.071 -4.732 -11.356 1.00 53.23 H new ATOM 1054 N LYS A 65 7.462 3.337 -6.904 1.00 55.55 N ATOM 1055 CA LYS A 65 7.479 4.683 -6.324 1.00 72.41 C ATOM 1056 C LYS A 65 7.905 5.692 -7.399 1.00 2.43 C ATOM 1057 O LYS A 65 9.062 5.704 -7.816 1.00 23.42 O ATOM 1058 CB LYS A 65 8.443 4.706 -5.106 1.00 60.12 C ATOM 1059 CG LYS A 65 8.376 5.993 -4.255 1.00 54.24 C ATOM 1060 CD LYS A 65 9.195 5.871 -2.950 1.00 13.41 C ATOM 1061 CE LYS A 65 8.968 7.038 -1.985 1.00 35.42 C ATOM 1062 NZ LYS A 65 9.707 6.834 -0.712 1.00 41.53 N ATOM 0 H LYS A 65 8.391 2.950 -7.068 1.00 55.55 H new ATOM 0 HA LYS A 65 6.484 4.959 -5.974 1.00 72.41 H new ATOM 0 HB2 LYS A 65 8.220 3.852 -4.467 1.00 60.12 H new ATOM 0 HB3 LYS A 65 9.464 4.577 -5.465 1.00 60.12 H new ATOM 0 HG2 LYS A 65 8.750 6.833 -4.840 1.00 54.24 H new ATOM 0 HG3 LYS A 65 7.336 6.212 -4.011 1.00 54.24 H new ATOM 0 HD2 LYS A 65 8.933 4.938 -2.450 1.00 13.41 H new ATOM 0 HD3 LYS A 65 10.255 5.814 -3.198 1.00 13.41 H new ATOM 0 HE2 LYS A 65 9.293 7.968 -2.452 1.00 35.42 H new ATOM 0 HE3 LYS A 65 7.903 7.140 -1.778 1.00 35.42 H new ATOM 0 HZ1 LYS A 65 9.646 7.696 -0.133 1.00 41.53 H new ATOM 0 HZ2 LYS A 65 9.288 6.037 -0.191 1.00 41.53 H new ATOM 0 HZ3 LYS A 65 10.705 6.626 -0.919 1.00 41.53 H new ATOM 1076 N THR A 66 6.938 6.492 -7.875 1.00 12.05 N ATOM 1077 CA THR A 66 7.155 7.525 -8.909 1.00 22.33 C ATOM 1078 C THR A 66 6.872 8.929 -8.328 1.00 41.33 C ATOM 1079 O THR A 66 6.038 9.081 -7.424 1.00 50.40 O ATOM 1080 CB THR A 66 6.235 7.229 -10.149 1.00 13.32 C ATOM 1081 OG1 THR A 66 6.579 5.943 -10.691 1.00 24.34 O ATOM 1082 CG2 THR A 66 6.332 8.296 -11.260 1.00 52.41 C ATOM 0 H THR A 66 5.972 6.442 -7.552 1.00 12.05 H new ATOM 0 HA THR A 66 8.195 7.501 -9.235 1.00 22.33 H new ATOM 0 HB THR A 66 5.205 7.247 -9.791 1.00 13.32 H new ATOM 0 HG1 THR A 66 6.008 5.750 -11.464 1.00 24.34 H new ATOM 0 HG21 THR A 66 5.670 8.026 -12.083 1.00 52.41 H new ATOM 0 HG22 THR A 66 6.036 9.266 -10.860 1.00 52.41 H new ATOM 0 HG23 THR A 66 7.358 8.351 -11.623 1.00 52.41 H new ATOM 1090 N GLY A 67 7.594 9.942 -8.843 1.00 30.00 N ATOM 1091 CA GLY A 67 7.390 11.330 -8.451 1.00 64.41 C ATOM 1092 C GLY A 67 8.036 11.661 -7.115 1.00 24.45 C ATOM 1093 O GLY A 67 9.264 11.719 -7.027 1.00 11.31 O ATOM 0 H GLY A 67 8.329 9.812 -9.538 1.00 30.00 H new ATOM 0 HA2 GLY A 67 7.799 11.985 -9.220 1.00 64.41 H new ATOM 0 HA3 GLY A 67 6.321 11.534 -8.394 1.00 64.41 H new ATOM 1097 N GLY A 68 7.213 11.861 -6.072 1.00 43.44 N ATOM 1098 CA GLY A 68 7.705 12.273 -4.757 1.00 61.41 C ATOM 1099 C GLY A 68 8.165 13.728 -4.758 1.00 11.10 C ATOM 1100 O GLY A 68 7.400 14.622 -4.392 1.00 4.00 O ATOM 0 H GLY A 68 6.201 11.742 -6.120 1.00 43.44 H new ATOM 0 HA2 GLY A 68 6.917 12.141 -4.016 1.00 61.41 H new ATOM 0 HA3 GLY A 68 8.533 11.630 -4.460 1.00 61.41 H new ATOM 1104 N SER A 69 9.415 13.949 -5.195 1.00 71.14 N ATOM 1105 CA SER A 69 10.011 15.283 -5.375 1.00 1.41 C ATOM 1106 C SER A 69 11.161 15.208 -6.387 1.00 24.14 C ATOM 1107 O SER A 69 11.830 14.175 -6.505 1.00 13.25 O ATOM 1108 CB SER A 69 10.532 15.851 -4.027 1.00 4.23 C ATOM 1109 OG SER A 69 9.458 16.210 -3.180 1.00 74.13 O ATOM 0 H SER A 69 10.052 13.191 -5.438 1.00 71.14 H new ATOM 0 HA SER A 69 9.238 15.953 -5.751 1.00 1.41 H new ATOM 0 HB2 SER A 69 11.157 15.108 -3.532 1.00 4.23 H new ATOM 0 HB3 SER A 69 11.160 16.722 -4.214 1.00 4.23 H new ATOM 0 HG SER A 69 8.622 15.844 -3.538 1.00 74.13 H new ATOM 1115 N LEU A 70 11.354 16.311 -7.130 1.00 35.45 N ATOM 1116 CA LEU A 70 12.546 16.534 -7.958 1.00 12.12 C ATOM 1117 C LEU A 70 13.672 16.985 -7.015 1.00 14.33 C ATOM 1118 O LEU A 70 13.862 18.183 -6.769 1.00 23.11 O ATOM 1119 CB LEU A 70 12.290 17.597 -9.084 1.00 44.14 C ATOM 1120 CG LEU A 70 11.274 17.225 -10.221 1.00 1.21 C ATOM 1121 CD1 LEU A 70 11.653 15.895 -10.906 1.00 63.11 C ATOM 1122 CD2 LEU A 70 9.811 17.209 -9.712 1.00 61.14 C ATOM 0 H LEU A 70 10.681 17.077 -7.171 1.00 35.45 H new ATOM 0 HA LEU A 70 12.818 15.614 -8.475 1.00 12.12 H new ATOM 0 HB2 LEU A 70 11.940 18.513 -8.607 1.00 44.14 H new ATOM 0 HB3 LEU A 70 13.247 17.827 -9.552 1.00 44.14 H new ATOM 0 HG LEU A 70 11.338 18.010 -10.974 1.00 1.21 H new ATOM 0 HD11 LEU A 70 10.928 15.669 -11.688 1.00 63.11 H new ATOM 0 HD12 LEU A 70 12.646 15.983 -11.347 1.00 63.11 H new ATOM 0 HD13 LEU A 70 11.653 15.093 -10.168 1.00 63.11 H new ATOM 0 HD21 LEU A 70 9.143 16.947 -10.533 1.00 61.14 H new ATOM 0 HD22 LEU A 70 9.711 16.473 -8.914 1.00 61.14 H new ATOM 0 HD23 LEU A 70 9.548 18.196 -9.331 1.00 61.14 H new ATOM 1134 N GLU A 71 14.342 15.990 -6.419 1.00 45.12 N ATOM 1135 CA GLU A 71 15.360 16.201 -5.386 1.00 42.23 C ATOM 1136 C GLU A 71 16.613 16.860 -5.997 1.00 43.35 C ATOM 1137 O GLU A 71 17.430 16.197 -6.639 1.00 52.54 O ATOM 1138 CB GLU A 71 15.681 14.849 -4.696 1.00 51.54 C ATOM 1139 CG GLU A 71 16.691 14.931 -3.535 1.00 12.40 C ATOM 1140 CD GLU A 71 16.744 13.637 -2.714 1.00 22.34 C ATOM 1141 OE1 GLU A 71 15.898 13.475 -1.808 1.00 42.53 O ATOM 1142 OE2 GLU A 71 17.607 12.769 -2.985 1.00 61.54 O ATOM 0 H GLU A 71 14.190 15.007 -6.644 1.00 45.12 H new ATOM 0 HA GLU A 71 14.983 16.883 -4.624 1.00 42.23 H new ATOM 0 HB2 GLU A 71 14.752 14.422 -4.319 1.00 51.54 H new ATOM 0 HB3 GLU A 71 16.068 14.159 -5.446 1.00 51.54 H new ATOM 0 HG2 GLU A 71 17.682 15.146 -3.934 1.00 12.40 H new ATOM 0 HG3 GLU A 71 16.423 15.762 -2.882 1.00 12.40 H new ATOM 1149 N HIS A 72 16.708 18.190 -5.817 1.00 14.21 N ATOM 1150 CA HIS A 72 17.781 19.024 -6.389 1.00 72.20 C ATOM 1151 C HIS A 72 19.144 18.618 -5.812 1.00 2.13 C ATOM 1152 O HIS A 72 19.364 18.700 -4.600 1.00 11.03 O ATOM 1153 CB HIS A 72 17.486 20.526 -6.145 1.00 72.15 C ATOM 1154 CG HIS A 72 16.319 21.037 -6.950 1.00 14.22 C ATOM 1155 ND1 HIS A 72 16.428 21.401 -8.274 1.00 10.02 N ATOM 1156 CD2 HIS A 72 15.015 21.203 -6.629 1.00 2.53 C ATOM 1157 CE1 HIS A 72 15.247 21.763 -8.729 1.00 4.31 C ATOM 1158 NE2 HIS A 72 14.376 21.652 -7.753 1.00 31.14 N ATOM 0 H HIS A 72 16.035 18.721 -5.265 1.00 14.21 H new ATOM 0 HA HIS A 72 17.816 18.862 -7.466 1.00 72.20 H new ATOM 0 HB2 HIS A 72 17.286 20.683 -5.085 1.00 72.15 H new ATOM 0 HB3 HIS A 72 18.373 21.109 -6.392 1.00 72.15 H new ATOM 0 HD2 HIS A 72 14.563 21.016 -5.666 1.00 2.53 H new ATOM 0 HE1 HIS A 72 15.031 22.095 -9.734 1.00 4.31 H new ATOM 0 HE2 HIS A 72 13.381 21.866 -7.821 1.00 31.14 H new ATOM 1167 N HIS A 73 20.037 18.190 -6.721 1.00 13.33 N ATOM 1168 CA HIS A 73 21.315 17.533 -6.392 1.00 32.22 C ATOM 1169 C HIS A 73 22.304 18.513 -5.731 1.00 14.32 C ATOM 1170 O HIS A 73 23.155 18.093 -4.942 1.00 44.11 O ATOM 1171 CB HIS A 73 21.910 16.890 -7.679 1.00 14.14 C ATOM 1172 CG HIS A 73 22.912 15.795 -7.436 1.00 40.14 C ATOM 1173 ND1 HIS A 73 22.537 14.490 -7.210 1.00 52.44 N ATOM 1174 CD2 HIS A 73 24.263 15.805 -7.402 1.00 32.24 C ATOM 1175 CE1 HIS A 73 23.611 13.749 -7.049 1.00 61.34 C ATOM 1176 NE2 HIS A 73 24.670 14.521 -7.159 1.00 51.01 N ATOM 0 H HIS A 73 19.888 18.293 -7.725 1.00 13.33 H new ATOM 0 HA HIS A 73 21.130 16.746 -5.661 1.00 32.22 H new ATOM 0 HB2 HIS A 73 21.093 16.488 -8.278 1.00 14.14 H new ATOM 0 HB3 HIS A 73 22.385 17.672 -8.272 1.00 14.14 H new ATOM 0 HD2 HIS A 73 24.902 16.665 -7.541 1.00 32.24 H new ATOM 0 HE1 HIS A 73 23.622 12.686 -6.859 1.00 61.34 H new ATOM 0 HE2 HIS A 73 25.639 14.213 -7.077 1.00 51.01 H new ATOM 1185 N HIS A 74 22.174 19.820 -6.039 1.00 31.12 N ATOM 1186 CA HIS A 74 22.994 20.877 -5.390 1.00 4.45 C ATOM 1187 C HIS A 74 22.588 21.066 -3.913 1.00 12.34 C ATOM 1188 O HIS A 74 23.407 21.468 -3.083 1.00 14.42 O ATOM 1189 CB HIS A 74 22.902 22.222 -6.159 1.00 5.01 C ATOM 1190 CG HIS A 74 23.565 22.208 -7.518 1.00 0.24 C ATOM 1191 ND1 HIS A 74 24.746 22.869 -7.789 1.00 0.44 N ATOM 1192 CD2 HIS A 74 23.200 21.624 -8.683 1.00 50.12 C ATOM 1193 CE1 HIS A 74 25.074 22.688 -9.054 1.00 15.30 C ATOM 1194 NE2 HIS A 74 24.151 21.935 -9.616 1.00 51.12 N ATOM 0 H HIS A 74 21.512 20.173 -6.730 1.00 31.12 H new ATOM 0 HA HIS A 74 24.032 20.546 -5.420 1.00 4.45 H new ATOM 0 HB2 HIS A 74 21.852 22.485 -6.283 1.00 5.01 H new ATOM 0 HB3 HIS A 74 23.358 23.005 -5.553 1.00 5.01 H new ATOM 0 HD2 HIS A 74 22.318 21.022 -8.846 1.00 50.12 H new ATOM 0 HE1 HIS A 74 25.949 23.088 -9.544 1.00 15.30 H new ATOM 0 HE2 HIS A 74 24.146 21.632 -10.590 1.00 51.12 H new ATOM 1203 N HIS A 75 21.317 20.764 -3.601 1.00 65.31 N ATOM 1204 CA HIS A 75 20.779 20.824 -2.224 1.00 60.04 C ATOM 1205 C HIS A 75 20.773 19.407 -1.585 1.00 74.00 C ATOM 1206 O HIS A 75 20.228 19.203 -0.498 1.00 42.41 O ATOM 1207 CB HIS A 75 19.345 21.440 -2.257 1.00 60.51 C ATOM 1208 CG HIS A 75 18.763 21.788 -0.902 1.00 11.43 C ATOM 1209 ND1 HIS A 75 17.469 21.481 -0.525 1.00 3.43 N ATOM 1210 CD2 HIS A 75 19.306 22.438 0.158 1.00 15.03 C ATOM 1211 CE1 HIS A 75 17.252 21.920 0.698 1.00 1.45 C ATOM 1212 NE2 HIS A 75 18.348 22.504 1.133 1.00 21.40 N ATOM 0 H HIS A 75 20.629 20.470 -4.295 1.00 65.31 H new ATOM 0 HA HIS A 75 21.416 21.459 -1.608 1.00 60.04 H new ATOM 0 HB2 HIS A 75 19.368 22.343 -2.868 1.00 60.51 H new ATOM 0 HB3 HIS A 75 18.676 20.737 -2.753 1.00 60.51 H new ATOM 0 HD2 HIS A 75 20.310 22.831 0.221 1.00 15.03 H new ATOM 0 HE1 HIS A 75 16.330 21.818 1.251 1.00 1.45 H new ATOM 0 HE2 HIS A 75 18.465 22.936 2.049 1.00 21.40 H new ATOM 1221 N HIS A 76 21.385 18.429 -2.280 1.00 63.34 N ATOM 1222 CA HIS A 76 21.458 17.026 -1.821 1.00 24.23 C ATOM 1223 C HIS A 76 22.911 16.653 -1.504 1.00 74.22 C ATOM 1224 O HIS A 76 23.805 16.928 -2.307 1.00 75.43 O ATOM 1225 CB HIS A 76 20.884 16.085 -2.907 1.00 51.55 C ATOM 1226 CG HIS A 76 20.890 14.627 -2.524 1.00 51.02 C ATOM 1227 ND1 HIS A 76 21.651 13.676 -3.166 1.00 54.13 N ATOM 1228 CD2 HIS A 76 20.216 13.967 -1.558 1.00 54.53 C ATOM 1229 CE1 HIS A 76 21.444 12.505 -2.605 1.00 65.15 C ATOM 1230 NE2 HIS A 76 20.577 12.650 -1.630 1.00 4.03 N ATOM 0 H HIS A 76 21.844 18.588 -3.177 1.00 63.34 H new ATOM 0 HA HIS A 76 20.864 16.916 -0.914 1.00 24.23 H new ATOM 0 HB2 HIS A 76 19.861 16.387 -3.130 1.00 51.55 H new ATOM 0 HB3 HIS A 76 21.460 16.211 -3.823 1.00 51.55 H new ATOM 0 HD2 HIS A 76 19.519 14.400 -0.856 1.00 54.53 H new ATOM 0 HE1 HIS A 76 21.911 11.576 -2.898 1.00 65.15 H new ATOM 0 HE2 HIS A 76 20.230 11.904 -1.027 1.00 4.03 H new ATOM 1239 N HIS A 77 23.133 16.025 -0.333 1.00 23.30 N ATOM 1240 CA HIS A 77 24.477 15.586 0.092 1.00 54.32 C ATOM 1241 C HIS A 77 25.000 14.444 -0.822 1.00 22.23 C ATOM 1242 O HIS A 77 24.236 13.487 -1.098 1.00 34.23 O ATOM 1243 CB HIS A 77 24.500 15.175 1.597 1.00 60.43 C ATOM 1244 CG HIS A 77 23.798 13.882 1.954 1.00 71.44 C ATOM 1245 ND1 HIS A 77 22.442 13.788 2.154 1.00 53.51 N ATOM 1246 CD2 HIS A 77 24.286 12.624 2.147 1.00 25.21 C ATOM 1247 CE1 HIS A 77 22.128 12.543 2.450 1.00 15.31 C ATOM 1248 NE2 HIS A 77 23.226 11.819 2.451 1.00 45.12 N ATOM 1249 OXT HIS A 77 26.165 14.501 -1.258 1.00 37.08 O ATOM 0 H HIS A 77 22.396 15.810 0.338 1.00 23.30 H new ATOM 0 HA HIS A 77 25.153 16.434 -0.015 1.00 54.32 H new ATOM 0 HB2 HIS A 77 25.540 15.097 1.914 1.00 60.43 H new ATOM 0 HB3 HIS A 77 24.049 15.980 2.178 1.00 60.43 H new ATOM 0 HD2 HIS A 77 25.320 12.320 2.073 1.00 25.21 H new ATOM 0 HE1 HIS A 77 21.133 12.177 2.658 1.00 15.31 H new ATOM 0 HE2 HIS A 77 23.277 10.819 2.647 1.00 45.12 H new TER 1258 HIS A 77