USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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+ 136:sc= 0.667 (180deg=-1.55!) USER MOD Single : A 2 THR OG1 : rot -55:sc= 0.21 USER MOD Single : A 5 THR OG1 : rot 151:sc= 0.381 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.161) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 24 SER OG : rot 52:sc= 0.308 USER MOD Single : A 28 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.5!) USER MOD Single : A 30 ASN : amide:sc= -0.413 K(o=-0.41,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0172) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -2.81! (180deg=-3.13!) USER MOD Single : A 48 MET CE :methyl -164:sc= -4.97! (180deg=-5.19!) USER MOD Single : A 52 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -158:sc= -0.0158 (180deg=-0.741) USER MOD Single : A 62 MET CE :methyl 174:sc= -1.9 (180deg=-1.96) USER MOD Single : A 66 THR OG1 : rot 110:sc= 0.855 USER MOD Single : A 69 SER OG : rot -91:sc= 0.883 USER MOD Single : A 70 MET CE :methyl -147:sc= -2.09 (180deg=-3.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.275 26.028 -8.267 1.00 0.00 N ATOM 2 CA MET A 1 -10.259 24.994 -9.341 1.00 0.00 C ATOM 3 C MET A 1 -8.914 24.264 -9.328 1.00 0.00 C ATOM 4 O MET A 1 -8.096 24.476 -8.456 1.00 0.00 O ATOM 5 CB MET A 1 -10.459 25.668 -10.700 1.00 0.00 C ATOM 6 CG MET A 1 -9.656 26.968 -10.749 1.00 0.00 C ATOM 7 SD MET A 1 -10.754 28.368 -10.414 1.00 0.00 S ATOM 8 CE MET A 1 -9.864 29.591 -11.405 1.00 0.00 C ATOM 0 H1 MET A 1 -10.681 26.910 -8.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.852 25.691 -7.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.303 26.205 -7.941 1.00 0.00 H new ATOM 0 HA MET A 1 -11.062 24.278 -9.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.138 25.000 -11.500 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.517 25.875 -10.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.851 26.939 -10.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.190 27.084 -11.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.376 30.551 -11.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.847 29.696 -11.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.832 29.264 -12.444 1.00 0.00 H new ATOM 20 N THR A 2 -8.689 23.406 -10.291 1.00 0.00 N ATOM 21 CA THR A 2 -7.404 22.645 -10.361 1.00 0.00 C ATOM 22 C THR A 2 -6.912 22.298 -8.952 1.00 0.00 C ATOM 23 O THR A 2 -5.753 22.469 -8.630 1.00 0.00 O ATOM 24 CB THR A 2 -6.344 23.480 -11.092 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.229 22.655 -11.397 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.887 24.650 -10.214 1.00 0.00 C ATOM 0 H THR A 2 -9.349 23.198 -11.041 1.00 0.00 H new ATOM 0 HA THR A 2 -7.575 21.719 -10.910 1.00 0.00 H new ATOM 0 HB THR A 2 -6.776 23.878 -12.010 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.899 22.234 -10.576 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.135 25.233 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.741 25.286 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.459 24.265 -9.288 1.00 0.00 H new ATOM 34 N PHE A 3 -7.784 21.814 -8.112 1.00 0.00 N ATOM 35 CA PHE A 3 -7.365 21.457 -6.728 1.00 0.00 C ATOM 36 C PHE A 3 -8.205 20.280 -6.231 1.00 0.00 C ATOM 37 O PHE A 3 -8.576 20.214 -5.076 1.00 0.00 O ATOM 38 CB PHE A 3 -7.576 22.659 -5.805 1.00 0.00 C ATOM 39 CG PHE A 3 -7.095 22.317 -4.415 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.728 22.139 -4.171 1.00 0.00 C ATOM 41 CD2 PHE A 3 -8.016 22.176 -3.369 1.00 0.00 C ATOM 42 CE1 PHE A 3 -5.282 21.821 -2.882 1.00 0.00 C ATOM 43 CE2 PHE A 3 -7.570 21.858 -2.082 1.00 0.00 C ATOM 44 CZ PHE A 3 -6.204 21.680 -1.838 1.00 0.00 C ATOM 0 H PHE A 3 -8.768 21.650 -8.324 1.00 0.00 H new ATOM 0 HA PHE A 3 -6.311 21.179 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.033 23.524 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.631 22.931 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.017 22.247 -4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.071 22.313 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.227 21.685 -2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -8.281 21.750 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 3 -5.861 21.434 -0.844 1.00 0.00 H new ATOM 54 N ILE A 4 -8.509 19.350 -7.095 1.00 0.00 N ATOM 55 CA ILE A 4 -9.327 18.180 -6.671 1.00 0.00 C ATOM 56 C ILE A 4 -8.484 17.256 -5.790 1.00 0.00 C ATOM 57 O ILE A 4 -7.784 16.391 -6.275 1.00 0.00 O ATOM 58 CB ILE A 4 -9.795 17.411 -7.907 1.00 0.00 C ATOM 59 CG1 ILE A 4 -10.489 18.373 -8.873 1.00 0.00 C ATOM 60 CG2 ILE A 4 -10.779 16.319 -7.485 1.00 0.00 C ATOM 61 CD1 ILE A 4 -11.714 18.985 -8.192 1.00 0.00 C ATOM 0 H ILE A 4 -8.226 19.350 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.192 18.530 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.935 16.957 -8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.799 19.159 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.789 17.844 -9.777 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.113 15.770 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.287 15.633 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -11.639 16.774 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.208 19.670 -8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.407 18.193 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.401 19.529 -7.301 1.00 0.00 H new ATOM 73 N THR A 5 -8.548 17.431 -4.498 1.00 0.00 N ATOM 74 CA THR A 5 -7.751 16.559 -3.590 1.00 0.00 C ATOM 75 C THR A 5 -8.676 15.543 -2.917 1.00 0.00 C ATOM 76 O THR A 5 -9.649 15.899 -2.281 1.00 0.00 O ATOM 77 CB THR A 5 -7.072 17.416 -2.519 1.00 0.00 C ATOM 78 OG1 THR A 5 -6.739 18.683 -3.070 1.00 0.00 O ATOM 79 CG2 THR A 5 -5.800 16.717 -2.034 1.00 0.00 C ATOM 0 H THR A 5 -9.117 18.139 -4.033 1.00 0.00 H new ATOM 0 HA THR A 5 -6.991 16.034 -4.169 1.00 0.00 H new ATOM 0 HB THR A 5 -7.751 17.553 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.746 19.360 -2.361 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.317 17.328 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.057 15.746 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.118 16.579 -2.873 1.00 0.00 H new ATOM 87 N LYS A 6 -8.379 14.282 -3.053 1.00 0.00 N ATOM 88 CA LYS A 6 -9.235 13.238 -2.423 1.00 0.00 C ATOM 89 C LYS A 6 -8.651 11.861 -2.736 1.00 0.00 C ATOM 90 O LYS A 6 -8.511 11.484 -3.883 1.00 0.00 O ATOM 91 CB LYS A 6 -10.655 13.333 -2.986 1.00 0.00 C ATOM 92 CG LYS A 6 -11.645 12.757 -1.972 1.00 0.00 C ATOM 93 CD LYS A 6 -13.048 13.296 -2.261 1.00 0.00 C ATOM 94 CE LYS A 6 -14.054 12.641 -1.313 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.297 11.234 -1.740 1.00 0.00 N ATOM 0 H LYS A 6 -7.578 13.927 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.266 13.388 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.903 14.372 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.722 12.786 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.644 11.668 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.342 13.026 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.066 14.379 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.321 13.091 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.674 12.662 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.990 13.200 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.150 10.871 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.430 11.202 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.480 10.646 -1.478 1.00 0.00 H new ATOM 109 N THR A 7 -8.304 11.107 -1.731 1.00 0.00 N ATOM 110 CA THR A 7 -7.723 9.760 -1.986 1.00 0.00 C ATOM 111 C THR A 7 -8.282 8.752 -0.979 1.00 0.00 C ATOM 112 O THR A 7 -8.682 9.117 0.108 1.00 0.00 O ATOM 113 CB THR A 7 -6.201 9.828 -1.844 1.00 0.00 C ATOM 114 OG1 THR A 7 -5.868 10.334 -0.558 1.00 0.00 O ATOM 115 CG2 THR A 7 -5.625 10.747 -2.923 1.00 0.00 C ATOM 0 H THR A 7 -8.397 11.364 -0.748 1.00 0.00 H new ATOM 0 HA THR A 7 -7.985 9.442 -2.995 1.00 0.00 H new ATOM 0 HB THR A 7 -5.781 8.829 -1.961 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.893 10.376 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.541 10.794 -2.820 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.879 10.356 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.044 11.747 -2.811 1.00 0.00 H new ATOM 123 N PRO A 8 -8.282 7.506 -1.379 1.00 0.00 N ATOM 124 CA PRO A 8 -8.773 6.397 -0.541 1.00 0.00 C ATOM 125 C PRO A 8 -7.726 6.037 0.518 1.00 0.00 C ATOM 126 O PRO A 8 -6.643 6.588 0.526 1.00 0.00 O ATOM 127 CB PRO A 8 -8.964 5.252 -1.541 1.00 0.00 C ATOM 128 CG PRO A 8 -8.062 5.575 -2.755 1.00 0.00 C ATOM 129 CD PRO A 8 -7.789 7.087 -2.709 1.00 0.00 C ATOM 0 HA PRO A 8 -9.688 6.633 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.687 4.297 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.008 5.171 -1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.130 5.011 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.554 5.298 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.727 7.303 -2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.311 7.610 -3.510 1.00 0.00 H new ATOM 137 N PRO A 9 -8.078 5.118 1.381 1.00 0.00 N ATOM 138 CA PRO A 9 -7.180 4.662 2.455 1.00 0.00 C ATOM 139 C PRO A 9 -6.082 3.761 1.881 1.00 0.00 C ATOM 140 O PRO A 9 -6.349 2.756 1.256 1.00 0.00 O ATOM 141 CB PRO A 9 -8.107 3.891 3.401 1.00 0.00 C ATOM 142 CG PRO A 9 -9.338 3.478 2.561 1.00 0.00 C ATOM 143 CD PRO A 9 -9.397 4.447 1.365 1.00 0.00 C ATOM 0 HA PRO A 9 -6.661 5.476 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.604 3.015 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.404 4.512 4.246 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.247 2.447 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.250 3.538 3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.563 3.915 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.211 5.164 1.472 1.00 0.00 H new ATOM 151 N ALA A 10 -4.848 4.131 2.079 1.00 0.00 N ATOM 152 CA ALA A 10 -3.721 3.318 1.538 1.00 0.00 C ATOM 153 C ALA A 10 -3.917 1.837 1.872 1.00 0.00 C ATOM 154 O ALA A 10 -3.342 0.977 1.242 1.00 0.00 O ATOM 155 CB ALA A 10 -2.408 3.806 2.152 1.00 0.00 C ATOM 0 H ALA A 10 -4.569 4.966 2.595 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.693 3.432 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.581 3.215 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.256 4.855 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.450 3.696 3.236 1.00 0.00 H new ATOM 161 N ALA A 11 -4.707 1.526 2.862 1.00 0.00 N ATOM 162 CA ALA A 11 -4.908 0.092 3.224 1.00 0.00 C ATOM 163 C ALA A 11 -6.031 -0.518 2.379 1.00 0.00 C ATOM 164 O ALA A 11 -6.770 -1.365 2.841 1.00 0.00 O ATOM 165 CB ALA A 11 -5.274 -0.012 4.706 1.00 0.00 C ATOM 0 H ALA A 11 -5.220 2.197 3.434 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.984 -0.454 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.421 -1.059 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.469 0.406 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.193 0.543 4.894 1.00 0.00 H new ATOM 171 N VAL A 12 -6.173 -0.100 1.151 1.00 0.00 N ATOM 172 CA VAL A 12 -7.252 -0.666 0.299 1.00 0.00 C ATOM 173 C VAL A 12 -6.763 -0.850 -1.144 1.00 0.00 C ATOM 174 O VAL A 12 -7.233 -1.714 -1.856 1.00 0.00 O ATOM 175 CB VAL A 12 -8.448 0.283 0.306 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.040 1.628 -0.296 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.566 -0.324 -0.530 1.00 0.00 C ATOM 0 H VAL A 12 -5.590 0.607 0.704 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.540 -1.638 0.699 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.789 0.435 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.895 2.304 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.232 2.060 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.702 1.480 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.425 0.347 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.218 -0.469 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.857 -1.285 -0.106 1.00 0.00 H new ATOM 187 N LEU A 13 -5.840 -0.041 -1.592 1.00 0.00 N ATOM 188 CA LEU A 13 -5.356 -0.178 -2.995 1.00 0.00 C ATOM 189 C LEU A 13 -4.192 -1.172 -3.064 1.00 0.00 C ATOM 190 O LEU A 13 -4.023 -1.865 -4.048 1.00 0.00 O ATOM 191 CB LEU A 13 -4.896 1.187 -3.511 1.00 0.00 C ATOM 192 CG LEU A 13 -6.060 2.181 -3.451 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.727 3.408 -4.303 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.332 1.523 -3.994 1.00 0.00 C ATOM 0 H LEU A 13 -5.403 0.704 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.172 -0.550 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.063 1.552 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.535 1.096 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.220 2.482 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.555 4.116 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.824 3.883 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.565 3.100 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.157 2.234 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.171 1.219 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.574 0.648 -3.392 1.00 0.00 H new ATOM 206 N LEU A 14 -3.384 -1.255 -2.041 1.00 0.00 N ATOM 207 CA LEU A 14 -2.243 -2.216 -2.088 1.00 0.00 C ATOM 208 C LEU A 14 -2.786 -3.620 -2.362 1.00 0.00 C ATOM 209 O LEU A 14 -2.436 -4.253 -3.338 1.00 0.00 O ATOM 210 CB LEU A 14 -1.486 -2.214 -0.753 1.00 0.00 C ATOM 211 CG LEU A 14 -1.483 -0.808 -0.143 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.340 -0.691 0.866 1.00 0.00 C ATOM 213 CD2 LEU A 14 -1.288 0.243 -1.240 1.00 0.00 C ATOM 0 H LEU A 14 -3.462 -0.707 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.556 -1.917 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.952 -2.916 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.462 -2.552 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.438 -0.639 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.338 0.309 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.476 -1.429 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.610 -0.870 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.288 1.238 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.337 0.071 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.100 0.169 -1.963 1.00 0.00 H new ATOM 225 N LYS A 15 -3.645 -4.108 -1.510 1.00 0.00 N ATOM 226 CA LYS A 15 -4.216 -5.467 -1.724 1.00 0.00 C ATOM 227 C LYS A 15 -4.724 -5.585 -3.163 1.00 0.00 C ATOM 228 O LYS A 15 -4.783 -6.661 -3.725 1.00 0.00 O ATOM 229 CB LYS A 15 -5.380 -5.689 -0.754 1.00 0.00 C ATOM 230 CG LYS A 15 -4.840 -6.185 0.589 1.00 0.00 C ATOM 231 CD LYS A 15 -6.009 -6.562 1.502 1.00 0.00 C ATOM 232 CE LYS A 15 -5.547 -7.612 2.515 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.586 -8.675 2.638 1.00 0.00 N ATOM 0 H LYS A 15 -3.976 -3.624 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.446 -6.217 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.933 -4.760 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.078 -6.416 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.192 -7.048 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.234 -5.410 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.378 -5.678 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.836 -6.952 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.601 -8.049 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.372 -7.145 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.273 -9.389 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.479 -8.252 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.732 -9.127 1.713 1.00 0.00 H new ATOM 247 N LYS A 16 -5.097 -4.487 -3.762 1.00 0.00 N ATOM 248 CA LYS A 16 -5.605 -4.536 -5.163 1.00 0.00 C ATOM 249 C LYS A 16 -4.465 -4.901 -6.115 1.00 0.00 C ATOM 250 O LYS A 16 -4.521 -5.893 -6.814 1.00 0.00 O ATOM 251 CB LYS A 16 -6.169 -3.168 -5.549 1.00 0.00 C ATOM 252 CG LYS A 16 -7.568 -3.342 -6.143 1.00 0.00 C ATOM 253 CD LYS A 16 -7.461 -4.000 -7.522 1.00 0.00 C ATOM 254 CE LYS A 16 -8.154 -3.119 -8.563 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.838 -3.622 -9.930 1.00 0.00 N ATOM 0 H LYS A 16 -5.072 -3.558 -3.342 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.390 -5.289 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.212 -2.520 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.513 -2.683 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.181 -3.955 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.061 -2.374 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.414 -4.141 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.921 -4.988 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.232 -3.126 -8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.823 -2.086 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.309 -3.023 -10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.809 -3.593 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.175 -4.601 -10.026 1.00 0.00 H new ATOM 269 N ALA A 17 -3.433 -4.102 -6.151 1.00 0.00 N ATOM 270 CA ALA A 17 -2.286 -4.392 -7.059 1.00 0.00 C ATOM 271 C ALA A 17 -1.972 -5.890 -7.032 1.00 0.00 C ATOM 272 O ALA A 17 -2.146 -6.588 -8.012 1.00 0.00 O ATOM 273 CB ALA A 17 -1.059 -3.606 -6.595 1.00 0.00 C ATOM 0 H ALA A 17 -3.335 -3.257 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.547 -4.097 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.220 -3.817 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.280 -2.539 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.801 -3.901 -5.578 1.00 0.00 H new ATOM 279 N ALA A 18 -1.510 -6.390 -5.919 1.00 0.00 N ATOM 280 CA ALA A 18 -1.186 -7.841 -5.833 1.00 0.00 C ATOM 281 C ALA A 18 -2.362 -8.659 -6.370 1.00 0.00 C ATOM 282 O ALA A 18 -2.262 -9.315 -7.388 1.00 0.00 O ATOM 283 CB ALA A 18 -0.928 -8.220 -4.373 1.00 0.00 C ATOM 0 H ALA A 18 -1.343 -5.856 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.296 -8.050 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.691 -9.282 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.091 -7.637 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.818 -8.011 -3.780 1.00 0.00 H new ATOM 289 N GLY A 19 -3.476 -8.628 -5.692 1.00 0.00 N ATOM 290 CA GLY A 19 -4.658 -9.404 -6.162 1.00 0.00 C ATOM 291 C GLY A 19 -4.978 -10.505 -5.150 1.00 0.00 C ATOM 292 O GLY A 19 -4.988 -11.676 -5.474 1.00 0.00 O ATOM 0 H GLY A 19 -3.619 -8.098 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.517 -8.743 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.455 -9.841 -7.140 1.00 0.00 H new ATOM 296 N ILE A 20 -5.239 -10.139 -3.925 1.00 0.00 N ATOM 297 CA ILE A 20 -5.558 -11.166 -2.895 1.00 0.00 C ATOM 298 C ILE A 20 -7.080 -11.223 -2.690 1.00 0.00 C ATOM 299 O ILE A 20 -7.808 -11.648 -3.564 1.00 0.00 O ATOM 300 CB ILE A 20 -4.855 -10.803 -1.584 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.357 -10.627 -1.843 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.068 -11.920 -0.563 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.992 -9.145 -1.737 1.00 0.00 C ATOM 0 H ILE A 20 -5.245 -9.174 -3.594 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.209 -12.145 -3.223 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.270 -9.873 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.782 -11.207 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.101 -11.006 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.567 -11.661 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.135 -12.046 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.654 -12.851 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.925 -9.019 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.557 -8.577 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.233 -8.781 -0.738 1.00 0.00 H new ATOM 315 N GLU A 21 -7.572 -10.803 -1.553 1.00 0.00 N ATOM 316 CA GLU A 21 -9.044 -10.841 -1.322 1.00 0.00 C ATOM 317 C GLU A 21 -9.540 -12.288 -1.419 1.00 0.00 C ATOM 318 O GLU A 21 -9.465 -13.042 -0.470 1.00 0.00 O ATOM 319 CB GLU A 21 -9.746 -9.980 -2.374 1.00 0.00 C ATOM 320 CG GLU A 21 -9.528 -8.501 -2.051 1.00 0.00 C ATOM 321 CD GLU A 21 -10.721 -7.971 -1.251 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.825 -8.029 -1.765 1.00 0.00 O ATOM 323 OE2 GLU A 21 -10.508 -7.518 -0.139 1.00 0.00 O ATOM 0 H GLU A 21 -7.019 -10.437 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.269 -10.451 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.355 -10.208 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.812 -10.206 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.608 -8.374 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.412 -7.930 -2.972 1.00 0.00 H new ATOM 330 N SER A 22 -10.046 -12.685 -2.557 1.00 0.00 N ATOM 331 CA SER A 22 -10.543 -14.082 -2.699 1.00 0.00 C ATOM 332 C SER A 22 -10.883 -14.357 -4.165 1.00 0.00 C ATOM 333 O SER A 22 -10.646 -15.433 -4.677 1.00 0.00 O ATOM 334 CB SER A 22 -11.794 -14.267 -1.837 1.00 0.00 C ATOM 335 OG SER A 22 -12.950 -14.221 -2.664 1.00 0.00 O ATOM 0 H SER A 22 -10.136 -12.104 -3.390 1.00 0.00 H new ATOM 0 HA SER A 22 -9.771 -14.779 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.748 -15.220 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.845 -13.486 -1.079 1.00 0.00 H new ATOM 0 HG SER A 22 -13.751 -14.341 -2.113 1.00 0.00 H new ATOM 341 N GLY A 23 -11.441 -13.394 -4.843 1.00 0.00 N ATOM 342 CA GLY A 23 -11.800 -13.598 -6.275 1.00 0.00 C ATOM 343 C GLY A 23 -10.530 -13.625 -7.126 1.00 0.00 C ATOM 344 O GLY A 23 -9.664 -12.783 -6.995 1.00 0.00 O ATOM 0 H GLY A 23 -11.665 -12.472 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.348 -14.533 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.458 -12.798 -6.612 1.00 0.00 H new ATOM 348 N SER A 24 -10.412 -14.588 -8.000 1.00 0.00 N ATOM 349 CA SER A 24 -9.199 -14.669 -8.862 1.00 0.00 C ATOM 350 C SER A 24 -9.580 -14.333 -10.306 1.00 0.00 C ATOM 351 O SER A 24 -9.762 -15.208 -11.129 1.00 0.00 O ATOM 352 CB SER A 24 -8.626 -16.084 -8.803 1.00 0.00 C ATOM 353 OG SER A 24 -9.669 -17.024 -9.024 1.00 0.00 O ATOM 0 H SER A 24 -11.103 -15.322 -8.154 1.00 0.00 H new ATOM 0 HA SER A 24 -8.451 -13.960 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.847 -16.205 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.162 -16.260 -7.833 1.00 0.00 H new ATOM 0 HG SER A 24 -10.147 -16.794 -9.848 1.00 0.00 H new ATOM 359 N GLY A 25 -9.704 -13.073 -10.621 1.00 0.00 N ATOM 360 CA GLY A 25 -10.077 -12.688 -12.011 1.00 0.00 C ATOM 361 C GLY A 25 -8.817 -12.347 -12.809 1.00 0.00 C ATOM 362 O GLY A 25 -8.352 -13.128 -13.616 1.00 0.00 O ATOM 0 H GLY A 25 -9.563 -12.295 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.614 -13.505 -12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.750 -11.831 -11.993 1.00 0.00 H new ATOM 366 N GLU A 26 -8.265 -11.185 -12.595 1.00 0.00 N ATOM 367 CA GLU A 26 -7.038 -10.792 -13.345 1.00 0.00 C ATOM 368 C GLU A 26 -5.917 -11.810 -13.096 1.00 0.00 C ATOM 369 O GLU A 26 -5.332 -12.317 -14.033 1.00 0.00 O ATOM 370 CB GLU A 26 -6.585 -9.404 -12.888 1.00 0.00 C ATOM 371 CG GLU A 26 -7.039 -8.359 -13.910 1.00 0.00 C ATOM 372 CD GLU A 26 -6.173 -7.106 -13.777 1.00 0.00 C ATOM 373 OE1 GLU A 26 -5.293 -7.104 -12.933 1.00 0.00 O ATOM 374 OE2 GLU A 26 -6.405 -6.169 -14.524 1.00 0.00 O ATOM 0 H GLU A 26 -8.610 -10.490 -11.933 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.263 -10.770 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.005 -9.177 -11.908 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.500 -9.379 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.960 -8.763 -14.919 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.087 -8.108 -13.748 1.00 0.00 H new ATOM 381 N PRO A 27 -5.644 -12.075 -11.842 1.00 0.00 N ATOM 382 CA PRO A 27 -4.590 -13.027 -11.447 1.00 0.00 C ATOM 383 C PRO A 27 -5.082 -14.471 -11.602 1.00 0.00 C ATOM 384 O PRO A 27 -6.252 -14.758 -11.448 1.00 0.00 O ATOM 385 CB PRO A 27 -4.339 -12.693 -9.974 1.00 0.00 C ATOM 386 CG PRO A 27 -5.618 -11.989 -9.462 1.00 0.00 C ATOM 387 CD PRO A 27 -6.355 -11.455 -10.705 1.00 0.00 C ATOM 0 HA PRO A 27 -3.691 -12.947 -12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.137 -13.597 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.469 -12.045 -9.865 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.248 -12.685 -8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.366 -11.175 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.409 -11.734 -10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.314 -10.367 -10.755 1.00 0.00 H new ATOM 395 N ASN A 28 -4.196 -15.380 -11.905 1.00 0.00 N ATOM 396 CA ASN A 28 -4.612 -16.802 -12.068 1.00 0.00 C ATOM 397 C ASN A 28 -3.740 -17.699 -11.185 1.00 0.00 C ATOM 398 O ASN A 28 -4.175 -18.729 -10.709 1.00 0.00 O ATOM 399 CB ASN A 28 -4.450 -17.215 -13.532 1.00 0.00 C ATOM 400 CG ASN A 28 -5.383 -18.388 -13.839 1.00 0.00 C ATOM 401 OD1 ASN A 28 -6.370 -18.588 -13.159 1.00 0.00 O ATOM 402 ND2 ASN A 28 -5.112 -19.177 -14.842 1.00 0.00 N ATOM 0 H ASN A 28 -3.202 -15.200 -12.047 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.655 -16.909 -11.772 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.680 -16.373 -14.186 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.416 -17.498 -13.728 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.728 -19.961 -15.055 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.284 -19.010 -15.413 1.00 0.00 H new ATOM 409 N ARG A 29 -2.512 -17.319 -10.964 1.00 0.00 N ATOM 410 CA ARG A 29 -1.616 -18.152 -10.113 1.00 0.00 C ATOM 411 C ARG A 29 -0.238 -17.491 -10.020 1.00 0.00 C ATOM 412 O ARG A 29 0.500 -17.439 -10.983 1.00 0.00 O ATOM 413 CB ARG A 29 -1.473 -19.544 -10.734 1.00 0.00 C ATOM 414 CG ARG A 29 -0.941 -19.414 -12.162 1.00 0.00 C ATOM 415 CD ARG A 29 -1.316 -20.661 -12.966 1.00 0.00 C ATOM 416 NE ARG A 29 -1.373 -20.318 -14.415 1.00 0.00 N ATOM 417 CZ ARG A 29 -0.880 -21.140 -15.301 1.00 0.00 C ATOM 418 NH1 ARG A 29 -1.275 -22.384 -15.327 1.00 0.00 N ATOM 419 NH2 ARG A 29 0.008 -20.720 -16.160 1.00 0.00 N ATOM 0 H ARG A 29 -2.090 -16.468 -11.336 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.044 -18.241 -9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.795 -20.153 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.437 -20.052 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.357 -18.525 -12.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.142 -19.291 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.583 -21.450 -12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.281 -21.045 -12.634 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.798 -19.440 -14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.968 -22.713 -14.655 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.890 -23.027 -16.019 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.318 -19.748 -16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.392 -21.363 -16.852 1.00 0.00 H new ATOM 433 N ASN A 30 0.111 -16.984 -8.869 1.00 0.00 N ATOM 434 CA ASN A 30 1.439 -16.324 -8.720 1.00 0.00 C ATOM 435 C ASN A 30 2.137 -16.834 -7.456 1.00 0.00 C ATOM 436 O ASN A 30 3.254 -16.459 -7.162 1.00 0.00 O ATOM 437 CB ASN A 30 1.245 -14.811 -8.614 1.00 0.00 C ATOM 438 CG ASN A 30 0.342 -14.494 -7.420 1.00 0.00 C ATOM 439 OD1 ASN A 30 -0.667 -15.137 -7.219 1.00 0.00 O ATOM 440 ND2 ASN A 30 0.666 -13.520 -6.614 1.00 0.00 N ATOM 0 H ASN A 30 -0.465 -16.998 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 30 2.054 -16.558 -9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.210 -14.318 -8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.801 -14.426 -9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.071 -13.300 -5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.514 -12.979 -6.783 1.00 0.00 H new ATOM 447 N LYS A 31 1.491 -17.685 -6.706 1.00 0.00 N ATOM 448 CA LYS A 31 2.127 -18.210 -5.466 1.00 0.00 C ATOM 449 C LYS A 31 2.279 -17.080 -4.446 1.00 0.00 C ATOM 450 O LYS A 31 2.843 -16.045 -4.735 1.00 0.00 O ATOM 451 CB LYS A 31 3.507 -18.781 -5.803 1.00 0.00 C ATOM 452 CG LYS A 31 3.506 -20.292 -5.566 1.00 0.00 C ATOM 453 CD LYS A 31 3.824 -21.015 -6.876 1.00 0.00 C ATOM 454 CE LYS A 31 2.548 -21.141 -7.712 1.00 0.00 C ATOM 455 NZ LYS A 31 2.731 -22.207 -8.737 1.00 0.00 N ATOM 0 H LYS A 31 0.553 -18.038 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 31 1.500 -18.995 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.758 -18.565 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.269 -18.306 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.243 -20.552 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.534 -20.611 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.583 -20.465 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.234 -22.003 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.701 -21.381 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.322 -20.191 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.865 -22.294 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.529 -21.960 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.927 -23.113 -8.265 1.00 0.00 H new ATOM 469 N VAL A 32 1.778 -17.279 -3.254 1.00 0.00 N ATOM 470 CA VAL A 32 1.878 -16.234 -2.191 1.00 0.00 C ATOM 471 C VAL A 32 1.529 -14.854 -2.762 1.00 0.00 C ATOM 472 O VAL A 32 1.130 -14.723 -3.902 1.00 0.00 O ATOM 473 CB VAL A 32 3.300 -16.235 -1.595 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.258 -15.367 -2.425 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.247 -15.694 -0.164 1.00 0.00 C ATOM 0 H VAL A 32 1.298 -18.132 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 32 1.165 -16.461 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 32 3.672 -17.260 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.251 -15.390 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.310 -15.754 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.893 -14.340 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.250 -15.693 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.856 -14.677 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.597 -16.327 0.440 1.00 0.00 H new ATOM 485 N ALA A 33 1.669 -13.824 -1.971 1.00 0.00 N ATOM 486 CA ALA A 33 1.343 -12.455 -2.462 1.00 0.00 C ATOM 487 C ALA A 33 2.546 -11.535 -2.230 1.00 0.00 C ATOM 488 O ALA A 33 2.731 -10.996 -1.154 1.00 0.00 O ATOM 489 CB ALA A 33 0.132 -11.915 -1.698 1.00 0.00 C ATOM 0 H ALA A 33 1.995 -13.872 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 33 1.112 -12.493 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.107 -10.914 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.723 -12.572 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.362 -11.874 -0.633 1.00 0.00 H new ATOM 495 N THR A 34 3.365 -11.353 -3.229 1.00 0.00 N ATOM 496 CA THR A 34 4.553 -10.471 -3.061 1.00 0.00 C ATOM 497 C THR A 34 4.349 -9.178 -3.854 1.00 0.00 C ATOM 498 O THR A 34 4.067 -9.200 -5.035 1.00 0.00 O ATOM 499 CB THR A 34 5.803 -11.193 -3.573 1.00 0.00 C ATOM 500 OG1 THR A 34 5.420 -12.215 -4.483 1.00 0.00 O ATOM 501 CG2 THR A 34 6.553 -11.812 -2.392 1.00 0.00 C ATOM 0 H THR A 34 3.263 -11.776 -4.152 1.00 0.00 H new ATOM 0 HA THR A 34 4.679 -10.232 -2.005 1.00 0.00 H new ATOM 0 HB THR A 34 6.453 -10.481 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.220 -12.676 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.443 -12.326 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.847 -11.027 -1.696 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.905 -12.525 -1.883 1.00 0.00 H new ATOM 509 N ILE A 35 4.490 -8.052 -3.212 1.00 0.00 N ATOM 510 CA ILE A 35 4.306 -6.758 -3.928 1.00 0.00 C ATOM 511 C ILE A 35 5.666 -6.084 -4.119 1.00 0.00 C ATOM 512 O ILE A 35 6.374 -5.810 -3.169 1.00 0.00 O ATOM 513 CB ILE A 35 3.391 -5.848 -3.107 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.973 -6.426 -3.100 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.364 -4.452 -3.731 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.016 -5.426 -2.450 1.00 0.00 C ATOM 0 H ILE A 35 4.725 -7.971 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 35 3.854 -6.941 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 35 3.766 -5.783 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.652 -6.642 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.956 -7.369 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.712 -3.804 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.372 -4.038 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.989 -4.517 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.007 -5.838 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.333 -5.232 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.025 -4.494 -3.015 1.00 0.00 H new ATOM 528 N LYS A 36 6.040 -5.813 -5.340 1.00 0.00 N ATOM 529 CA LYS A 36 7.355 -5.157 -5.585 1.00 0.00 C ATOM 530 C LYS A 36 7.369 -3.783 -4.910 1.00 0.00 C ATOM 531 O LYS A 36 6.338 -3.185 -4.679 1.00 0.00 O ATOM 532 CB LYS A 36 7.566 -4.987 -7.091 1.00 0.00 C ATOM 533 CG LYS A 36 8.072 -6.302 -7.689 1.00 0.00 C ATOM 534 CD LYS A 36 8.253 -6.139 -9.200 1.00 0.00 C ATOM 535 CE LYS A 36 8.199 -7.512 -9.873 1.00 0.00 C ATOM 536 NZ LYS A 36 6.778 -7.930 -10.034 1.00 0.00 N ATOM 0 H LYS A 36 5.493 -6.017 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 36 8.154 -5.774 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.631 -4.694 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.284 -4.189 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.018 -6.584 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.364 -7.105 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.472 -5.494 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.207 -5.656 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.690 -7.472 -10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.739 -8.245 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.717 -8.968 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.209 -7.533 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.414 -7.581 -10.944 1.00 0.00 H new ATOM 550 N ARG A 37 8.530 -3.274 -4.601 1.00 0.00 N ATOM 551 CA ARG A 37 8.606 -1.937 -3.953 1.00 0.00 C ATOM 552 C ARG A 37 8.354 -0.869 -5.010 1.00 0.00 C ATOM 553 O ARG A 37 7.832 0.191 -4.729 1.00 0.00 O ATOM 554 CB ARG A 37 9.999 -1.738 -3.356 1.00 0.00 C ATOM 555 CG ARG A 37 9.882 -1.041 -2.000 1.00 0.00 C ATOM 556 CD ARG A 37 9.018 -1.884 -1.061 1.00 0.00 C ATOM 557 NE ARG A 37 9.560 -1.797 0.324 1.00 0.00 N ATOM 558 CZ ARG A 37 10.835 -1.979 0.540 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.457 -2.979 -0.022 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.488 -1.159 1.319 1.00 0.00 N ATOM 0 H ARG A 37 9.428 -3.727 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 37 7.861 -1.865 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.496 -2.701 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.613 -1.142 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.872 -0.897 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.442 -0.052 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.987 -1.531 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.006 -2.922 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 37 8.935 -1.595 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.947 -3.619 -0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.453 -3.120 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.002 -0.377 1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.484 -1.301 1.488 1.00 0.00 H new ATOM 574 N ASP A 38 8.723 -1.146 -6.227 1.00 0.00 N ATOM 575 CA ASP A 38 8.512 -0.155 -7.313 1.00 0.00 C ATOM 576 C ASP A 38 7.011 0.060 -7.520 1.00 0.00 C ATOM 577 O ASP A 38 6.582 1.099 -7.981 1.00 0.00 O ATOM 578 CB ASP A 38 9.139 -0.672 -8.607 1.00 0.00 C ATOM 579 CG ASP A 38 9.591 0.511 -9.463 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.377 1.636 -9.041 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.143 0.274 -10.524 1.00 0.00 O ATOM 0 H ASP A 38 9.163 -2.019 -6.517 1.00 0.00 H new ATOM 0 HA ASP A 38 8.980 0.790 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.989 -1.316 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.418 -1.278 -9.156 1.00 0.00 H new ATOM 586 N LYS A 39 6.211 -0.914 -7.185 1.00 0.00 N ATOM 587 CA LYS A 39 4.740 -0.767 -7.365 1.00 0.00 C ATOM 588 C LYS A 39 4.123 -0.209 -6.080 1.00 0.00 C ATOM 589 O LYS A 39 3.512 0.841 -6.080 1.00 0.00 O ATOM 590 CB LYS A 39 4.124 -2.132 -7.675 1.00 0.00 C ATOM 591 CG LYS A 39 2.866 -1.945 -8.526 1.00 0.00 C ATOM 592 CD LYS A 39 3.035 -2.690 -9.852 1.00 0.00 C ATOM 593 CE LYS A 39 2.160 -3.944 -9.849 1.00 0.00 C ATOM 594 NZ LYS A 39 2.238 -4.607 -11.181 1.00 0.00 N ATOM 0 H LYS A 39 6.513 -1.806 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 39 4.542 -0.084 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.844 -2.756 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.875 -2.649 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.993 -2.322 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.693 -0.885 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.757 -2.042 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.080 -2.964 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.492 -4.630 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.127 -3.679 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.643 -5.460 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.902 -3.952 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.224 -4.873 -11.379 1.00 0.00 H new ATOM 608 N VAL A 40 4.276 -0.903 -4.985 1.00 0.00 N ATOM 609 CA VAL A 40 3.695 -0.409 -3.706 1.00 0.00 C ATOM 610 C VAL A 40 4.024 1.081 -3.545 1.00 0.00 C ATOM 611 O VAL A 40 3.179 1.878 -3.189 1.00 0.00 O ATOM 612 CB VAL A 40 4.268 -1.234 -2.534 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.421 -0.494 -1.844 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.157 -1.501 -1.515 1.00 0.00 C ATOM 0 H VAL A 40 4.777 -1.789 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 40 2.611 -0.525 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 40 4.653 -2.173 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.803 -1.101 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.219 -0.313 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.061 0.458 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.557 -2.084 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.771 -0.553 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.351 -2.057 -1.993 1.00 0.00 H new ATOM 624 N ARG A 41 5.244 1.458 -3.810 1.00 0.00 N ATOM 625 CA ARG A 41 5.627 2.893 -3.679 1.00 0.00 C ATOM 626 C ARG A 41 4.947 3.700 -4.785 1.00 0.00 C ATOM 627 O ARG A 41 4.546 4.829 -4.586 1.00 0.00 O ATOM 628 CB ARG A 41 7.146 3.029 -3.804 1.00 0.00 C ATOM 629 CG ARG A 41 7.553 4.473 -3.503 1.00 0.00 C ATOM 630 CD ARG A 41 7.732 5.239 -4.814 1.00 0.00 C ATOM 631 NE ARG A 41 9.145 5.695 -4.935 1.00 0.00 N ATOM 632 CZ ARG A 41 10.101 4.821 -5.085 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.450 4.436 -6.283 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.710 4.331 -4.040 1.00 0.00 N ATOM 0 H ARG A 41 5.993 0.835 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 41 5.310 3.269 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.641 2.348 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.466 2.751 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.792 4.955 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.481 4.488 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.471 4.601 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.059 6.096 -4.842 1.00 0.00 H new ATOM 0 HE ARG A 41 9.365 6.690 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.975 4.819 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.198 3.752 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.438 4.632 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.458 3.647 -4.159 1.00 0.00 H new ATOM 648 N GLU A 42 4.814 3.129 -5.951 1.00 0.00 N ATOM 649 CA GLU A 42 4.157 3.861 -7.068 1.00 0.00 C ATOM 650 C GLU A 42 2.839 4.460 -6.575 1.00 0.00 C ATOM 651 O GLU A 42 2.625 5.655 -6.636 1.00 0.00 O ATOM 652 CB GLU A 42 3.879 2.891 -8.219 1.00 0.00 C ATOM 653 CG GLU A 42 3.522 3.681 -9.480 1.00 0.00 C ATOM 654 CD GLU A 42 3.861 2.850 -10.718 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.830 1.634 -10.618 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.147 3.442 -11.745 1.00 0.00 O ATOM 0 H GLU A 42 5.132 2.187 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 42 4.812 4.659 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.755 2.269 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.061 2.221 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.461 3.931 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.071 4.622 -9.500 1.00 0.00 H new ATOM 663 N ILE A 43 1.953 3.640 -6.080 1.00 0.00 N ATOM 664 CA ILE A 43 0.652 4.163 -5.576 1.00 0.00 C ATOM 665 C ILE A 43 0.914 5.136 -4.424 1.00 0.00 C ATOM 666 O ILE A 43 0.351 6.212 -4.366 1.00 0.00 O ATOM 667 CB ILE A 43 -0.208 3.000 -5.078 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.608 2.120 -6.265 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.467 3.546 -4.402 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.865 0.691 -5.781 1.00 0.00 C ATOM 0 H ILE A 43 2.074 2.630 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 43 0.128 4.680 -6.380 1.00 0.00 H new ATOM 0 HB ILE A 43 0.361 2.409 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.503 2.520 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.182 2.124 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.079 2.716 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.183 4.174 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.037 4.137 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.150 0.066 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.041 0.293 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.670 0.695 -5.046 1.00 0.00 H new ATOM 682 N ALA A 44 1.769 4.768 -3.510 1.00 0.00 N ATOM 683 CA ALA A 44 2.070 5.671 -2.365 1.00 0.00 C ATOM 684 C ALA A 44 2.515 7.032 -2.902 1.00 0.00 C ATOM 685 O ALA A 44 2.446 8.035 -2.218 1.00 0.00 O ATOM 686 CB ALA A 44 3.188 5.064 -1.516 1.00 0.00 C ATOM 0 H ALA A 44 2.272 3.881 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 44 1.178 5.794 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.408 5.725 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.871 4.092 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.083 4.942 -2.126 1.00 0.00 H new ATOM 692 N GLU A 45 2.965 7.076 -4.126 1.00 0.00 N ATOM 693 CA GLU A 45 3.409 8.370 -4.712 1.00 0.00 C ATOM 694 C GLU A 45 2.193 9.100 -5.285 1.00 0.00 C ATOM 695 O GLU A 45 2.103 10.311 -5.240 1.00 0.00 O ATOM 696 CB GLU A 45 4.422 8.108 -5.828 1.00 0.00 C ATOM 697 CG GLU A 45 5.107 9.421 -6.212 1.00 0.00 C ATOM 698 CD GLU A 45 4.698 9.814 -7.632 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.500 8.922 -8.440 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.589 11.003 -7.888 1.00 0.00 O ATOM 0 H GLU A 45 3.044 6.270 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 45 3.877 8.982 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.164 7.381 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.921 7.679 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.828 10.208 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.190 9.310 -6.152 1.00 0.00 H new ATOM 707 N LEU A 46 1.253 8.369 -5.821 1.00 0.00 N ATOM 708 CA LEU A 46 0.041 9.019 -6.390 1.00 0.00 C ATOM 709 C LEU A 46 -0.677 9.791 -5.282 1.00 0.00 C ATOM 710 O LEU A 46 -1.238 10.845 -5.507 1.00 0.00 O ATOM 711 CB LEU A 46 -0.891 7.948 -6.962 1.00 0.00 C ATOM 712 CG LEU A 46 -0.650 7.808 -8.466 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.771 7.297 -8.713 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.656 6.814 -9.050 1.00 0.00 C ATOM 0 H LEU A 46 1.273 7.351 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 46 0.328 9.705 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.714 6.994 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.930 8.218 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.774 8.779 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.941 7.198 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.489 8.003 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.897 6.326 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.487 6.712 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.530 5.844 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.669 7.177 -8.876 1.00 0.00 H new ATOM 726 N LYS A 47 -0.657 9.275 -4.082 1.00 0.00 N ATOM 727 CA LYS A 47 -1.331 9.979 -2.954 1.00 0.00 C ATOM 728 C LYS A 47 -0.270 10.494 -1.979 1.00 0.00 C ATOM 729 O LYS A 47 -0.523 10.675 -0.804 1.00 0.00 O ATOM 730 CB LYS A 47 -2.264 9.009 -2.229 1.00 0.00 C ATOM 731 CG LYS A 47 -3.089 8.233 -3.256 1.00 0.00 C ATOM 732 CD LYS A 47 -2.704 6.753 -3.204 1.00 0.00 C ATOM 733 CE LYS A 47 -3.198 6.144 -1.892 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.964 4.898 -2.182 1.00 0.00 N ATOM 0 H LYS A 47 -0.203 8.396 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.913 10.816 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.684 8.319 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.923 9.556 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.153 8.351 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.913 8.631 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.140 6.223 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.622 6.645 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.353 5.921 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.829 6.857 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.126 4.376 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.879 5.145 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.422 4.303 -2.841 1.00 0.00 H new ATOM 748 N MET A 48 0.917 10.731 -2.463 1.00 0.00 N ATOM 749 CA MET A 48 2.006 11.233 -1.580 1.00 0.00 C ATOM 750 C MET A 48 1.601 12.565 -0.938 1.00 0.00 C ATOM 751 O MET A 48 1.721 12.730 0.260 1.00 0.00 O ATOM 752 CB MET A 48 3.272 11.441 -2.410 1.00 0.00 C ATOM 753 CG MET A 48 4.451 10.758 -1.716 1.00 0.00 C ATOM 754 SD MET A 48 5.789 11.956 -1.484 1.00 0.00 S ATOM 755 CE MET A 48 5.301 12.525 0.164 1.00 0.00 C ATOM 0 H MET A 48 1.181 10.598 -3.439 1.00 0.00 H new ATOM 0 HA MET A 48 2.189 10.501 -0.794 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.136 11.030 -3.410 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.472 12.506 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.137 10.356 -0.753 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.801 9.916 -2.314 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.812 13.461 0.392 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.223 12.684 0.189 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.574 11.773 0.904 1.00 0.00 H new ATOM 765 N PRO A 49 1.140 13.483 -1.752 1.00 0.00 N ATOM 766 CA PRO A 49 0.722 14.817 -1.284 1.00 0.00 C ATOM 767 C PRO A 49 -0.660 14.751 -0.628 1.00 0.00 C ATOM 768 O PRO A 49 -1.234 15.757 -0.267 1.00 0.00 O ATOM 769 CB PRO A 49 0.685 15.653 -2.567 1.00 0.00 C ATOM 770 CG PRO A 49 0.531 14.652 -3.737 1.00 0.00 C ATOM 771 CD PRO A 49 0.992 13.281 -3.209 1.00 0.00 C ATOM 0 HA PRO A 49 1.389 15.234 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.146 16.358 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.598 16.239 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.504 14.608 -4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.133 14.960 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.262 12.503 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.933 12.974 -3.666 1.00 0.00 H new ATOM 779 N ASP A 50 -1.193 13.572 -0.465 1.00 0.00 N ATOM 780 CA ASP A 50 -2.531 13.440 0.174 1.00 0.00 C ATOM 781 C ASP A 50 -2.409 12.552 1.415 1.00 0.00 C ATOM 782 O ASP A 50 -3.333 12.423 2.192 1.00 0.00 O ATOM 783 CB ASP A 50 -3.509 12.808 -0.817 1.00 0.00 C ATOM 784 CG ASP A 50 -3.423 13.543 -2.156 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.265 14.753 -2.137 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.516 12.885 -3.178 1.00 0.00 O ATOM 0 H ASP A 50 -0.759 12.693 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.900 14.424 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.274 11.752 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.525 12.860 -0.426 1.00 0.00 H new ATOM 791 N LEU A 51 -1.270 11.941 1.606 1.00 0.00 N ATOM 792 CA LEU A 51 -1.082 11.064 2.795 1.00 0.00 C ATOM 793 C LEU A 51 -0.384 11.855 3.902 1.00 0.00 C ATOM 794 O LEU A 51 0.072 11.300 4.882 1.00 0.00 O ATOM 795 CB LEU A 51 -0.216 9.863 2.409 1.00 0.00 C ATOM 796 CG LEU A 51 -0.945 9.024 1.358 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.079 8.308 0.475 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.825 7.989 2.060 1.00 0.00 C ATOM 0 H LEU A 51 -0.461 12.012 0.988 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.053 10.716 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.742 10.203 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.003 9.257 3.290 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.565 9.672 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.441 7.710 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.709 9.045 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.700 7.658 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.346 7.389 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.203 7.341 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.554 8.499 2.690 1.00 0.00 H new ATOM 810 N ASN A 52 -0.291 13.148 3.752 1.00 0.00 N ATOM 811 CA ASN A 52 0.383 13.972 4.792 1.00 0.00 C ATOM 812 C ASN A 52 1.829 13.499 4.952 1.00 0.00 C ATOM 813 O ASN A 52 2.455 13.718 5.970 1.00 0.00 O ATOM 814 CB ASN A 52 -0.356 13.819 6.123 1.00 0.00 C ATOM 815 CG ASN A 52 -0.135 15.071 6.976 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.165 16.127 6.457 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.271 14.996 8.272 1.00 0.00 N ATOM 0 H ASN A 52 -0.653 13.669 2.953 1.00 0.00 H new ATOM 0 HA ASN A 52 0.373 15.020 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.421 13.671 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.005 12.937 6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.125 15.824 8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.523 14.109 8.708 1.00 0.00 H new ATOM 824 N ALA A 53 2.361 12.852 3.953 1.00 0.00 N ATOM 825 CA ALA A 53 3.766 12.362 4.043 1.00 0.00 C ATOM 826 C ALA A 53 4.713 13.419 3.472 1.00 0.00 C ATOM 827 O ALA A 53 4.466 13.989 2.428 1.00 0.00 O ATOM 828 CB ALA A 53 3.905 11.066 3.242 1.00 0.00 C ATOM 0 H ALA A 53 1.884 12.641 3.077 1.00 0.00 H new ATOM 0 HA ALA A 53 4.020 12.174 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.932 10.707 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.230 10.313 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.652 11.254 2.199 1.00 0.00 H new ATOM 834 N ALA A 54 5.796 13.684 4.148 1.00 0.00 N ATOM 835 CA ALA A 54 6.760 14.703 3.644 1.00 0.00 C ATOM 836 C ALA A 54 7.329 14.247 2.298 1.00 0.00 C ATOM 837 O ALA A 54 7.130 14.882 1.282 1.00 0.00 O ATOM 838 CB ALA A 54 7.902 14.864 4.650 1.00 0.00 C ATOM 0 H ALA A 54 6.056 13.239 5.028 1.00 0.00 H new ATOM 0 HA ALA A 54 6.247 15.657 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.608 15.609 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.499 15.188 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.414 13.910 4.775 1.00 0.00 H new ATOM 844 N SER A 55 8.040 13.151 2.285 1.00 0.00 N ATOM 845 CA SER A 55 8.626 12.654 1.008 1.00 0.00 C ATOM 846 C SER A 55 8.163 11.216 0.758 1.00 0.00 C ATOM 847 O SER A 55 7.354 10.679 1.487 1.00 0.00 O ATOM 848 CB SER A 55 10.152 12.689 1.102 1.00 0.00 C ATOM 849 OG SER A 55 10.539 12.615 2.468 1.00 0.00 O ATOM 0 H SER A 55 8.240 12.578 3.105 1.00 0.00 H new ATOM 0 HA SER A 55 8.297 13.289 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.582 11.857 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.535 13.605 0.652 1.00 0.00 H new ATOM 0 HG SER A 55 11.517 12.635 2.533 1.00 0.00 H new ATOM 855 N ILE A 56 8.673 10.588 -0.268 1.00 0.00 N ATOM 856 CA ILE A 56 8.262 9.184 -0.561 1.00 0.00 C ATOM 857 C ILE A 56 8.664 8.282 0.607 1.00 0.00 C ATOM 858 O ILE A 56 7.899 7.450 1.053 1.00 0.00 O ATOM 859 CB ILE A 56 8.957 8.701 -1.833 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.710 9.701 -2.966 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.400 7.334 -2.234 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.233 9.669 -3.357 1.00 0.00 C ATOM 0 H ILE A 56 9.355 10.985 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 56 7.182 9.146 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 56 10.028 8.619 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.992 10.705 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.331 9.453 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.897 6.991 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.577 6.619 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.329 7.417 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.055 10.380 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.967 8.666 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.622 9.938 -2.495 1.00 0.00 H new ATOM 874 N GLU A 57 9.859 8.439 1.108 1.00 0.00 N ATOM 875 CA GLU A 57 10.298 7.590 2.248 1.00 0.00 C ATOM 876 C GLU A 57 9.215 7.610 3.328 1.00 0.00 C ATOM 877 O GLU A 57 9.109 6.709 4.136 1.00 0.00 O ATOM 878 CB GLU A 57 11.608 8.138 2.823 1.00 0.00 C ATOM 879 CG GLU A 57 12.789 7.590 2.020 1.00 0.00 C ATOM 880 CD GLU A 57 13.983 7.374 2.950 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.817 6.689 3.945 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.044 7.899 2.653 1.00 0.00 O ATOM 0 H GLU A 57 10.547 9.116 0.778 1.00 0.00 H new ATOM 0 HA GLU A 57 10.459 6.568 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.605 9.227 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.704 7.854 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.512 6.650 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.056 8.286 1.225 1.00 0.00 H new ATOM 889 N ALA A 58 8.403 8.634 3.342 1.00 0.00 N ATOM 890 CA ALA A 58 7.319 8.714 4.362 1.00 0.00 C ATOM 891 C ALA A 58 6.059 8.042 3.815 1.00 0.00 C ATOM 892 O ALA A 58 5.303 7.433 4.546 1.00 0.00 O ATOM 893 CB ALA A 58 7.017 10.181 4.676 1.00 0.00 C ATOM 0 H ALA A 58 8.444 9.418 2.691 1.00 0.00 H new ATOM 0 HA ALA A 58 7.639 8.207 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.224 10.238 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.915 10.662 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.696 10.689 3.767 1.00 0.00 H new ATOM 899 N ALA A 59 5.823 8.148 2.533 1.00 0.00 N ATOM 900 CA ALA A 59 4.608 7.514 1.947 1.00 0.00 C ATOM 901 C ALA A 59 4.785 5.994 1.932 1.00 0.00 C ATOM 902 O ALA A 59 4.068 5.269 2.594 1.00 0.00 O ATOM 903 CB ALA A 59 4.404 8.022 0.518 1.00 0.00 C ATOM 0 H ALA A 59 6.418 8.645 1.870 1.00 0.00 H new ATOM 0 HA ALA A 59 3.736 7.772 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.515 7.558 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.277 9.105 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.274 7.766 -0.087 1.00 0.00 H new ATOM 909 N MET A 60 5.740 5.503 1.188 1.00 0.00 N ATOM 910 CA MET A 60 5.961 4.031 1.144 1.00 0.00 C ATOM 911 C MET A 60 6.048 3.499 2.573 1.00 0.00 C ATOM 912 O MET A 60 5.794 2.340 2.833 1.00 0.00 O ATOM 913 CB MET A 60 7.266 3.729 0.403 1.00 0.00 C ATOM 914 CG MET A 60 8.437 4.372 1.147 1.00 0.00 C ATOM 915 SD MET A 60 9.772 4.723 -0.024 1.00 0.00 S ATOM 916 CE MET A 60 10.020 3.026 -0.597 1.00 0.00 C ATOM 0 H MET A 60 6.374 6.056 0.611 1.00 0.00 H new ATOM 0 HA MET A 60 5.134 3.550 0.621 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.415 2.652 0.331 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.215 4.112 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.113 5.292 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.793 3.706 1.933 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.021 2.926 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.908 2.339 0.242 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.281 2.789 -1.362 1.00 0.00 H new ATOM 926 N ARG A 61 6.403 4.342 3.504 1.00 0.00 N ATOM 927 CA ARG A 61 6.503 3.892 4.921 1.00 0.00 C ATOM 928 C ARG A 61 5.155 3.325 5.364 1.00 0.00 C ATOM 929 O ARG A 61 5.060 2.207 5.828 1.00 0.00 O ATOM 930 CB ARG A 61 6.870 5.083 5.808 1.00 0.00 C ATOM 931 CG ARG A 61 7.734 4.604 6.977 1.00 0.00 C ATOM 932 CD ARG A 61 7.960 5.762 7.950 1.00 0.00 C ATOM 933 NE ARG A 61 6.646 6.233 8.471 1.00 0.00 N ATOM 934 CZ ARG A 61 6.601 7.154 9.392 1.00 0.00 C ATOM 935 NH1 ARG A 61 6.661 6.821 10.652 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.499 8.411 9.055 1.00 0.00 N ATOM 0 H ARG A 61 6.628 5.324 3.344 1.00 0.00 H new ATOM 0 HA ARG A 61 7.271 3.124 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.409 5.830 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.966 5.563 6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.245 3.775 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.690 4.232 6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.596 5.440 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.478 6.578 7.447 1.00 0.00 H new ATOM 0 HE ARG A 61 5.781 5.834 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.743 5.839 10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.626 7.542 11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.454 8.673 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.464 9.131 9.776 1.00 0.00 H new ATOM 950 N MET A 62 4.113 4.092 5.220 1.00 0.00 N ATOM 951 CA MET A 62 2.766 3.606 5.625 1.00 0.00 C ATOM 952 C MET A 62 2.360 2.440 4.724 1.00 0.00 C ATOM 953 O MET A 62 1.601 1.575 5.111 1.00 0.00 O ATOM 954 CB MET A 62 1.750 4.741 5.486 1.00 0.00 C ATOM 955 CG MET A 62 2.165 5.907 6.386 1.00 0.00 C ATOM 956 SD MET A 62 1.128 7.346 6.023 1.00 0.00 S ATOM 957 CE MET A 62 2.373 8.302 5.124 1.00 0.00 C ATOM 0 H MET A 62 4.136 5.038 4.838 1.00 0.00 H new ATOM 0 HA MET A 62 2.793 3.273 6.663 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.695 5.070 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.756 4.390 5.762 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.062 5.626 7.434 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.215 6.151 6.223 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.913 9.199 4.709 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.175 8.587 5.805 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.782 7.697 4.315 1.00 0.00 H new ATOM 967 N ILE A 63 2.867 2.408 3.520 1.00 0.00 N ATOM 968 CA ILE A 63 2.519 1.296 2.590 1.00 0.00 C ATOM 969 C ILE A 63 3.271 0.034 3.009 1.00 0.00 C ATOM 970 O ILE A 63 2.911 -1.065 2.641 1.00 0.00 O ATOM 971 CB ILE A 63 2.918 1.681 1.165 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.431 3.101 0.861 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.286 0.703 0.174 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.986 3.267 1.337 1.00 0.00 C ATOM 0 H ILE A 63 3.508 3.105 3.141 1.00 0.00 H new ATOM 0 HA ILE A 63 1.446 1.109 2.627 1.00 0.00 H new ATOM 0 HB ILE A 63 4.003 1.642 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.073 3.829 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.496 3.296 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.571 0.979 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.635 -0.307 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.201 0.740 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.645 4.279 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.348 2.549 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.934 3.091 2.411 1.00 0.00 H new ATOM 986 N GLU A 64 4.312 0.178 3.781 1.00 0.00 N ATOM 987 CA GLU A 64 5.076 -1.018 4.225 1.00 0.00 C ATOM 988 C GLU A 64 4.415 -1.598 5.475 1.00 0.00 C ATOM 989 O GLU A 64 4.172 -2.784 5.569 1.00 0.00 O ATOM 990 CB GLU A 64 6.519 -0.619 4.545 1.00 0.00 C ATOM 991 CG GLU A 64 7.473 -1.320 3.576 1.00 0.00 C ATOM 992 CD GLU A 64 8.913 -1.154 4.065 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.457 -0.076 3.888 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.448 -2.107 4.607 1.00 0.00 O ATOM 0 H GLU A 64 4.665 1.072 4.123 1.00 0.00 H new ATOM 0 HA GLU A 64 5.080 -1.765 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.634 0.462 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.763 -0.891 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.222 -2.378 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.367 -0.899 2.576 1.00 0.00 H new ATOM 1001 N GLY A 65 4.111 -0.766 6.434 1.00 0.00 N ATOM 1002 CA GLY A 65 3.454 -1.269 7.674 1.00 0.00 C ATOM 1003 C GLY A 65 1.985 -1.569 7.372 1.00 0.00 C ATOM 1004 O GLY A 65 1.340 -2.334 8.062 1.00 0.00 O ATOM 0 H GLY A 65 4.289 0.238 6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.957 -2.169 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.531 -0.527 8.469 1.00 0.00 H new ATOM 1008 N THR A 66 1.453 -0.971 6.341 1.00 0.00 N ATOM 1009 CA THR A 66 0.027 -1.219 5.985 1.00 0.00 C ATOM 1010 C THR A 66 -0.056 -2.400 5.016 1.00 0.00 C ATOM 1011 O THR A 66 -0.955 -3.215 5.091 1.00 0.00 O ATOM 1012 CB THR A 66 -0.562 0.028 5.321 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.444 1.137 6.203 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.038 -0.214 4.997 1.00 0.00 C ATOM 0 H THR A 66 1.945 -0.320 5.729 1.00 0.00 H new ATOM 0 HA THR A 66 -0.538 -1.447 6.889 1.00 0.00 H new ATOM 0 HB THR A 66 -0.019 0.239 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.228 1.760 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.457 0.674 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.127 -1.063 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.582 -0.426 5.917 1.00 0.00 H new ATOM 1022 N ALA A 67 0.875 -2.501 4.107 1.00 0.00 N ATOM 1023 CA ALA A 67 0.849 -3.631 3.137 1.00 0.00 C ATOM 1024 C ALA A 67 1.631 -4.812 3.714 1.00 0.00 C ATOM 1025 O ALA A 67 1.886 -5.791 3.041 1.00 0.00 O ATOM 1026 CB ALA A 67 1.488 -3.190 1.817 1.00 0.00 C ATOM 0 H ALA A 67 1.652 -1.850 3.995 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.183 -3.930 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.468 -4.018 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.931 -2.348 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.521 -2.890 1.995 1.00 0.00 H new ATOM 1032 N ARG A 68 2.012 -4.728 4.960 1.00 0.00 N ATOM 1033 CA ARG A 68 2.774 -5.844 5.585 1.00 0.00 C ATOM 1034 C ARG A 68 1.908 -6.506 6.657 1.00 0.00 C ATOM 1035 O ARG A 68 1.924 -7.709 6.828 1.00 0.00 O ATOM 1036 CB ARG A 68 4.050 -5.293 6.225 1.00 0.00 C ATOM 1037 CG ARG A 68 4.699 -6.379 7.084 1.00 0.00 C ATOM 1038 CD ARG A 68 6.217 -6.347 6.888 1.00 0.00 C ATOM 1039 NE ARG A 68 6.623 -7.459 5.982 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.885 -7.653 5.713 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.758 -6.714 5.960 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.275 -8.788 5.197 1.00 0.00 N ATOM 0 H ARG A 68 1.828 -3.933 5.572 1.00 0.00 H new ATOM 0 HA ARG A 68 3.039 -6.579 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.744 -4.963 5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.816 -4.422 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.454 -6.221 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.307 -7.358 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.520 -5.389 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.721 -6.444 7.850 1.00 0.00 H new ATOM 0 HE ARG A 68 5.915 -8.068 5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.454 -5.828 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.744 -6.866 5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.593 -9.522 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.261 -8.940 4.986 1.00 0.00 H new ATOM 1056 N SER A 69 1.147 -5.729 7.380 1.00 0.00 N ATOM 1057 CA SER A 69 0.276 -6.312 8.438 1.00 0.00 C ATOM 1058 C SER A 69 -0.915 -7.017 7.785 1.00 0.00 C ATOM 1059 O SER A 69 -1.688 -7.687 8.440 1.00 0.00 O ATOM 1060 CB SER A 69 -0.231 -5.197 9.354 1.00 0.00 C ATOM 1061 OG SER A 69 -0.802 -4.165 8.562 1.00 0.00 O ATOM 0 H SER A 69 1.092 -4.715 7.283 1.00 0.00 H new ATOM 0 HA SER A 69 0.848 -7.031 9.025 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.972 -5.590 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.589 -4.801 9.953 1.00 0.00 H new ATOM 0 HG SER A 69 -0.113 -3.504 8.340 1.00 0.00 H new ATOM 1067 N MET A 70 -1.068 -6.873 6.496 1.00 0.00 N ATOM 1068 CA MET A 70 -2.207 -7.535 5.800 1.00 0.00 C ATOM 1069 C MET A 70 -1.776 -8.921 5.315 1.00 0.00 C ATOM 1070 O MET A 70 -2.568 -9.679 4.792 1.00 0.00 O ATOM 1071 CB MET A 70 -2.629 -6.686 4.599 1.00 0.00 C ATOM 1072 CG MET A 70 -3.675 -5.660 5.038 1.00 0.00 C ATOM 1073 SD MET A 70 -4.367 -4.841 3.580 1.00 0.00 S ATOM 1074 CE MET A 70 -3.705 -3.189 3.909 1.00 0.00 C ATOM 0 H MET A 70 -0.452 -6.325 5.895 1.00 0.00 H new ATOM 0 HA MET A 70 -3.045 -7.637 6.490 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.762 -6.178 4.177 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.037 -7.324 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.467 -6.152 5.602 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.221 -4.923 5.701 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.406 -2.437 3.546 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.561 -3.062 4.982 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.749 -3.071 3.398 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.526 -9.257 5.483 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.046 -10.593 5.028 1.00 0.00 C ATOM 1086 C GLY A 71 0.726 -10.440 3.716 1.00 0.00 C ATOM 1087 O GLY A 71 1.361 -11.363 3.247 1.00 0.00 O ATOM 0 H GLY A 71 0.183 -8.665 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.594 -11.039 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.892 -11.266 4.888 1.00 0.00 H new ATOM 1091 N ILE A 72 0.674 -9.280 3.120 1.00 0.00 N ATOM 1092 CA ILE A 72 1.403 -9.066 1.838 1.00 0.00 C ATOM 1093 C ILE A 72 2.844 -8.645 2.134 1.00 0.00 C ATOM 1094 O ILE A 72 3.100 -7.869 3.034 1.00 0.00 O ATOM 1095 CB ILE A 72 0.708 -7.963 1.038 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.796 -8.243 0.982 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.273 -7.926 -0.382 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.559 -6.917 0.950 1.00 0.00 C ATOM 0 H ILE A 72 0.158 -8.471 3.466 1.00 0.00 H new ATOM 0 HA ILE A 72 1.405 -9.991 1.262 1.00 0.00 H new ATOM 0 HB ILE A 72 0.881 -7.002 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.034 -8.834 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.100 -8.830 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.777 -7.140 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.344 -7.725 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.102 -8.887 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.630 -7.114 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.329 -6.343 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.262 -6.347 0.069 1.00 0.00 H new ATOM 1110 N VAL A 73 3.790 -9.144 1.384 1.00 0.00 N ATOM 1111 CA VAL A 73 5.208 -8.758 1.631 1.00 0.00 C ATOM 1112 C VAL A 73 5.621 -7.686 0.616 1.00 0.00 C ATOM 1113 O VAL A 73 4.869 -7.342 -0.274 1.00 0.00 O ATOM 1114 CB VAL A 73 6.108 -10.000 1.507 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.590 -10.182 0.062 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.319 -9.839 2.428 1.00 0.00 C ATOM 0 H VAL A 73 3.643 -9.798 0.616 1.00 0.00 H new ATOM 0 HA VAL A 73 5.316 -8.352 2.637 1.00 0.00 H new ATOM 0 HB VAL A 73 5.531 -10.879 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.225 -11.066 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.730 -10.305 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.159 -9.304 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.960 -10.717 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.881 -8.951 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.981 -9.735 3.459 1.00 0.00 H new ATOM 1126 N VAL A 74 6.806 -7.155 0.740 1.00 0.00 N ATOM 1127 CA VAL A 74 7.250 -6.110 -0.224 1.00 0.00 C ATOM 1128 C VAL A 74 8.762 -6.240 -0.460 1.00 0.00 C ATOM 1129 O VAL A 74 9.542 -6.293 0.470 1.00 0.00 O ATOM 1130 CB VAL A 74 6.887 -4.717 0.334 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.105 -4.048 0.985 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.376 -3.835 -0.809 1.00 0.00 C ATOM 0 H VAL A 74 7.483 -7.398 1.463 1.00 0.00 H new ATOM 0 HA VAL A 74 6.745 -6.240 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 74 6.115 -4.839 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.820 -3.069 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.466 -4.669 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.895 -3.931 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.118 -2.850 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.153 -3.734 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.492 -4.292 -1.254 1.00 0.00 H new ATOM 1142 N GLU A 75 9.177 -6.291 -1.697 1.00 0.00 N ATOM 1143 CA GLU A 75 10.633 -6.417 -1.987 1.00 0.00 C ATOM 1144 C GLU A 75 10.955 -5.722 -3.312 1.00 0.00 C ATOM 1145 O GLU A 75 10.136 -5.662 -4.207 1.00 0.00 O ATOM 1146 CB GLU A 75 11.009 -7.898 -2.087 1.00 0.00 C ATOM 1147 CG GLU A 75 11.157 -8.483 -0.681 1.00 0.00 C ATOM 1148 CD GLU A 75 12.281 -7.755 0.058 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.992 -6.757 0.698 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.410 -8.207 -0.029 1.00 0.00 O ATOM 0 H GLU A 75 8.572 -6.251 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 75 11.202 -5.949 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.243 -8.442 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.942 -8.011 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.221 -8.381 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.377 -9.549 -0.740 1.00 0.00 H new ATOM 1157 N ASP A 76 12.142 -5.195 -3.443 1.00 0.00 N ATOM 1158 CA ASP A 76 12.515 -4.503 -4.710 1.00 0.00 C ATOM 1159 C ASP A 76 12.530 -5.513 -5.858 1.00 0.00 C ATOM 1160 O ASP A 76 13.067 -5.185 -6.903 1.00 0.00 O ATOM 1161 CB ASP A 76 13.905 -3.880 -4.561 1.00 0.00 C ATOM 1162 CG ASP A 76 13.789 -2.355 -4.590 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.117 -1.816 -3.727 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.372 -1.753 -5.477 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.004 -6.599 -5.673 1.00 0.00 O ATOM 0 H ASP A 76 12.869 -5.214 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 76 11.787 -3.721 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.361 -4.202 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.556 -4.221 -5.366 1.00 0.00 H new TER 1170 ASP A 76