USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 22 THR OG1 : rot 180:sc= -1.08 USER MOD Set 1.2: B 25 ASN : amide:sc= -2.94! K(o=-4!,f=-2.1) USER MOD Set 2.1: B 7 THR OG1 : rot -82:sc= 1.2 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= -0.0298 USER MOD Set 3.1: A 40 GLN : amide:sc= -12.8! C(o=-15!,f=-8.9!) USER MOD Set 3.2: A 41 GLN : amide:sc= -2.5! C(o=-15!,f=-14!) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= -0.997 USER MOD Set 4.2: A 25 ASN : amide:sc= -3.02! K(o=-4!,f=-2) USER MOD Set 5.1: A 7 THR OG1 : rot -80:sc= 1.14 USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.0305 (180deg=-0.0904) USER MOD Single : A 1 MET N :NH3+ -121:sc= -0.0769 (180deg=-0.532) USER MOD Single : A 2 GLN : amide:sc=-0.00158 K(o=-0.0016,f=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00901 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -1.45! (180deg=-2.11!) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0414 (180deg=-0.262) USER MOD Single : A 31 GLN : amide:sc= -7.73! C(o=-7.7!,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= 0.00706 (180deg=-0.715) USER MOD Single : B 1 MET CE :methyl -166:sc= -0.334 (180deg=-0.645) USER MOD Single : B 1 MET N :NH3+ -117:sc= -0.0445 (180deg=-0.114) USER MOD Single : B 2 GLN : amide:sc= -1.68 K(o=-1.7,f=-6.5!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ -150:sc= -0.311! (180deg=-1.1!) USER MOD Single : B 29 LYS NZ :NH3+ -165:sc= -0.0473 (180deg=-0.28) USER MOD Single : B 31 GLN : amide:sc= -7.9! C(o=-7.9!,f=-5.1!) USER MOD Single : B 33 LYS NZ :NH3+ 166:sc= 0.141 (180deg=0.00992) USER MOD Single : B 40 GLN : amide:sc= -9.98! C(o=-10!,f=-7.1!) USER MOD Single : B 41 GLN : amide:sc= -1.9! C(o=-1.9!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 1.731 -3.130 -11.964 1.00 0.00 N ATOM 22 CA MET A 1 1.326 -2.616 -10.662 1.00 0.00 C ATOM 23 C MET A 1 2.510 -1.977 -9.929 1.00 0.00 C ATOM 24 O MET A 1 2.760 -2.261 -8.756 1.00 0.00 O ATOM 25 CB MET A 1 0.715 -3.746 -9.826 1.00 0.00 C ATOM 26 CG MET A 1 0.226 -3.313 -8.453 1.00 0.00 C ATOM 27 SD MET A 1 -1.014 -2.009 -8.529 1.00 0.00 S ATOM 28 CE MET A 1 -1.280 -1.713 -6.783 1.00 0.00 C ATOM 0 H1 MET A 1 1.172 -2.668 -12.709 1.00 0.00 H new ATOM 0 H2 MET A 1 2.741 -2.933 -12.116 1.00 0.00 H new ATOM 0 H3 MET A 1 1.570 -4.157 -11.997 1.00 0.00 H new ATOM 0 HA MET A 1 0.575 -1.841 -10.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.120 -4.179 -10.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.458 -4.534 -9.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.192 -4.175 -7.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.075 -2.966 -7.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.870 -0.806 -6.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.813 -2.558 -6.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.319 -1.594 -6.283 1.00 0.00 H new ATOM 38 N GLN A 2 3.234 -1.107 -10.627 1.00 0.00 N ATOM 39 CA GLN A 2 4.380 -0.426 -10.041 1.00 0.00 C ATOM 40 C GLN A 2 3.944 0.423 -8.847 1.00 0.00 C ATOM 41 O GLN A 2 3.246 1.427 -8.999 1.00 0.00 O ATOM 42 CB GLN A 2 5.060 0.449 -11.096 1.00 0.00 C ATOM 43 CG GLN A 2 4.122 1.450 -11.753 1.00 0.00 C ATOM 44 CD GLN A 2 4.762 2.178 -12.918 1.00 0.00 C ATOM 45 OE1 GLN A 2 5.765 2.872 -12.757 1.00 0.00 O ATOM 46 NE2 GLN A 2 4.182 2.021 -14.104 1.00 0.00 N ATOM 0 H GLN A 2 3.046 -0.858 -11.598 1.00 0.00 H new ATOM 0 HA GLN A 2 5.091 -1.173 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.886 0.988 -10.632 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.490 -0.192 -11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.230 0.930 -12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.797 2.178 -11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.351 1.436 -14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.568 2.486 -14.926 1.00 0.00 H new ATOM 55 N ILE A 3 4.356 -0.002 -7.660 1.00 0.00 N ATOM 56 CA ILE A 3 4.015 0.690 -6.425 1.00 0.00 C ATOM 57 C ILE A 3 4.828 1.966 -6.243 1.00 0.00 C ATOM 58 O ILE A 3 6.050 1.966 -6.390 1.00 0.00 O ATOM 59 CB ILE A 3 4.242 -0.221 -5.202 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.665 -0.788 -5.215 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.216 -1.342 -5.181 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.992 -1.642 -4.008 1.00 0.00 C ATOM 0 H ILE A 3 4.933 -0.832 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 3 2.960 0.954 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 3 4.119 0.373 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.801 -1.384 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.375 0.037 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.389 -1.977 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.214 -0.917 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.309 -1.937 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.016 -2.008 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.889 -1.045 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.307 -2.488 -3.965 1.00 0.00 H new ATOM 74 N PHE A 4 4.139 3.048 -5.894 1.00 0.00 N ATOM 75 CA PHE A 4 4.794 4.327 -5.659 1.00 0.00 C ATOM 76 C PHE A 4 5.207 4.415 -4.194 1.00 0.00 C ATOM 77 O PHE A 4 4.411 4.121 -3.303 1.00 0.00 O ATOM 78 CB PHE A 4 3.861 5.491 -6.011 1.00 0.00 C ATOM 79 CG PHE A 4 3.453 5.537 -7.459 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.807 4.463 -8.051 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.716 6.661 -8.228 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.431 4.509 -9.381 1.00 0.00 C ATOM 83 CE2 PHE A 4 3.344 6.712 -9.557 1.00 0.00 C ATOM 84 CZ PHE A 4 2.700 5.635 -10.135 1.00 0.00 C ATOM 0 H PHE A 4 3.127 3.063 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 4 5.675 4.396 -6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.965 5.423 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.354 6.428 -5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.595 3.580 -7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.218 7.507 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.928 3.666 -9.830 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.556 7.593 -10.144 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.408 5.673 -11.174 1.00 0.00 H new ATOM 94 N VAL A 5 6.453 4.800 -3.943 1.00 0.00 N ATOM 95 CA VAL A 5 6.950 4.893 -2.575 1.00 0.00 C ATOM 96 C VAL A 5 7.905 6.068 -2.402 1.00 0.00 C ATOM 97 O VAL A 5 8.837 6.243 -3.185 1.00 0.00 O ATOM 98 CB VAL A 5 7.681 3.599 -2.162 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.202 3.703 -0.736 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.775 2.390 -2.322 1.00 0.00 C ATOM 0 H VAL A 5 7.132 5.051 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 5 6.079 5.044 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 5 8.536 3.468 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.714 2.779 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.899 4.538 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.367 3.867 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.313 1.490 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.893 2.510 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.468 2.301 -3.364 1.00 0.00 H new ATOM 110 N LYS A 6 7.674 6.859 -1.361 1.00 0.00 N ATOM 111 CA LYS A 6 8.526 8.005 -1.073 1.00 0.00 C ATOM 112 C LYS A 6 9.645 7.602 -0.122 1.00 0.00 C ATOM 113 O LYS A 6 9.387 7.097 0.971 1.00 0.00 O ATOM 114 CB LYS A 6 7.705 9.145 -0.466 1.00 0.00 C ATOM 115 CG LYS A 6 6.610 9.663 -1.383 1.00 0.00 C ATOM 116 CD LYS A 6 5.833 10.798 -0.736 1.00 0.00 C ATOM 117 CE LYS A 6 4.746 11.327 -1.658 1.00 0.00 C ATOM 118 NZ LYS A 6 3.975 12.435 -1.031 1.00 0.00 N ATOM 0 H LYS A 6 6.905 6.728 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 6 8.965 8.353 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.255 8.801 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.374 9.968 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.050 10.009 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.928 8.850 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.384 10.449 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.517 11.606 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.197 11.679 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.067 10.516 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.244 12.767 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.523 12.093 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.618 13.220 -0.803 1.00 0.00 H new ATOM 132 N THR A 7 10.886 7.825 -0.537 1.00 0.00 N ATOM 133 CA THR A 7 12.034 7.478 0.289 1.00 0.00 C ATOM 134 C THR A 7 12.142 8.404 1.496 1.00 0.00 C ATOM 135 O THR A 7 11.156 9.012 1.913 1.00 0.00 O ATOM 136 CB THR A 7 13.347 7.535 -0.515 1.00 0.00 C ATOM 137 OG1 THR A 7 13.524 8.844 -1.072 1.00 0.00 O ATOM 138 CG2 THR A 7 13.345 6.500 -1.630 1.00 0.00 C ATOM 0 H THR A 7 11.122 8.243 -1.437 1.00 0.00 H new ATOM 0 HA THR A 7 11.878 6.456 0.634 1.00 0.00 H new ATOM 0 HB THR A 7 14.172 7.314 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.984 8.929 -1.886 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.282 6.560 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.240 5.503 -1.201 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.512 6.694 -2.305 1.00 0.00 H new ATOM 146 N LEU A 8 13.342 8.506 2.052 1.00 0.00 N ATOM 147 CA LEU A 8 13.575 9.358 3.211 1.00 0.00 C ATOM 148 C LEU A 8 13.784 10.807 2.784 1.00 0.00 C ATOM 149 O LEU A 8 13.183 11.722 3.345 1.00 0.00 O ATOM 150 CB LEU A 8 14.788 8.864 4.008 1.00 0.00 C ATOM 151 CG LEU A 8 14.675 7.440 4.569 1.00 0.00 C ATOM 152 CD1 LEU A 8 13.407 7.281 5.388 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.710 6.413 3.454 1.00 0.00 C ATOM 0 H LEU A 8 14.169 8.010 1.720 1.00 0.00 H new ATOM 0 HA LEU A 8 12.693 9.308 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.667 8.914 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.960 9.550 4.838 1.00 0.00 H new ATOM 0 HG LEU A 8 15.532 7.271 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.349 6.264 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.420 7.985 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.540 7.480 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.628 5.412 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.877 6.587 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.650 6.500 2.908 1.00 0.00 H new ATOM 165 N THR A 9 14.644 11.006 1.789 1.00 0.00 N ATOM 166 CA THR A 9 14.933 12.344 1.288 1.00 0.00 C ATOM 167 C THR A 9 13.770 12.899 0.471 1.00 0.00 C ATOM 168 O THR A 9 13.378 14.054 0.641 1.00 0.00 O ATOM 169 CB THR A 9 16.204 12.355 0.419 1.00 0.00 C ATOM 170 OG1 THR A 9 16.037 11.482 -0.705 1.00 0.00 O ATOM 171 CG2 THR A 9 17.418 11.921 1.228 1.00 0.00 C ATOM 0 H THR A 9 15.151 10.259 1.315 1.00 0.00 H new ATOM 0 HA THR A 9 15.089 12.976 2.162 1.00 0.00 H new ATOM 0 HB THR A 9 16.367 13.374 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.849 11.496 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.303 11.937 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.560 12.604 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.261 10.911 1.606 1.00 0.00 H new ATOM 179 N GLY A 10 13.221 12.073 -0.416 1.00 0.00 N ATOM 180 CA GLY A 10 12.111 12.510 -1.243 1.00 0.00 C ATOM 181 C GLY A 10 11.961 11.690 -2.510 1.00 0.00 C ATOM 182 O GLY A 10 10.851 11.513 -3.014 1.00 0.00 O ATOM 0 H GLY A 10 13.524 11.112 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.188 12.450 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.253 13.558 -1.509 1.00 0.00 H new ATOM 186 N LYS A 11 13.084 11.203 -3.034 1.00 0.00 N ATOM 187 CA LYS A 11 13.086 10.410 -4.262 1.00 0.00 C ATOM 188 C LYS A 11 12.006 9.332 -4.241 1.00 0.00 C ATOM 189 O LYS A 11 11.892 8.568 -3.283 1.00 0.00 O ATOM 190 CB LYS A 11 14.456 9.760 -4.467 1.00 0.00 C ATOM 191 CG LYS A 11 14.535 8.885 -5.710 1.00 0.00 C ATOM 192 CD LYS A 11 15.887 8.198 -5.831 1.00 0.00 C ATOM 193 CE LYS A 11 17.017 9.204 -5.976 1.00 0.00 C ATOM 194 NZ LYS A 11 18.343 8.537 -6.095 1.00 0.00 N ATOM 0 H LYS A 11 14.008 11.344 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 11 12.872 11.087 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.213 10.541 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.697 9.156 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.747 8.133 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.356 9.495 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.061 7.579 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.881 7.531 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.842 9.823 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.022 9.871 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.087 9.258 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.522 7.967 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.347 7.920 -6.932 1.00 0.00 H new ATOM 208 N THR A 12 11.223 9.277 -5.314 1.00 0.00 N ATOM 209 CA THR A 12 10.155 8.292 -5.442 1.00 0.00 C ATOM 210 C THR A 12 10.665 7.028 -6.124 1.00 0.00 C ATOM 211 O THR A 12 11.514 7.095 -7.012 1.00 0.00 O ATOM 212 CB THR A 12 8.974 8.851 -6.254 1.00 0.00 C ATOM 213 OG1 THR A 12 8.519 10.081 -5.677 1.00 0.00 O ATOM 214 CG2 THR A 12 7.824 7.855 -6.300 1.00 0.00 C ATOM 0 H THR A 12 11.309 9.907 -6.112 1.00 0.00 H new ATOM 0 HA THR A 12 9.815 8.054 -4.434 1.00 0.00 H new ATOM 0 HB THR A 12 9.319 9.031 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.768 10.430 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.002 8.275 -6.880 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.162 6.930 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.483 7.646 -5.286 1.00 0.00 H new ATOM 222 N ILE A 13 10.146 5.877 -5.710 1.00 0.00 N ATOM 223 CA ILE A 13 10.561 4.607 -6.294 1.00 0.00 C ATOM 224 C ILE A 13 9.411 3.861 -6.947 1.00 0.00 C ATOM 225 O ILE A 13 8.396 3.574 -6.311 1.00 0.00 O ATOM 226 CB ILE A 13 11.190 3.667 -5.251 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.498 3.823 -3.900 1.00 0.00 C ATOM 228 CG2 ILE A 13 12.680 3.909 -5.133 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.004 2.862 -2.847 1.00 0.00 C ATOM 0 H ILE A 13 9.441 5.797 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 13 11.299 4.877 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 13 11.047 2.640 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.637 4.844 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.426 3.675 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.101 3.232 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.155 3.729 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.858 4.940 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.468 3.030 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.840 1.837 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.070 3.025 -2.688 1.00 0.00 H new ATOM 241 N THR A 14 9.609 3.496 -8.205 1.00 0.00 N ATOM 242 CA THR A 14 8.629 2.718 -8.940 1.00 0.00 C ATOM 243 C THR A 14 9.032 1.257 -8.896 1.00 0.00 C ATOM 244 O THR A 14 10.195 0.923 -9.124 1.00 0.00 O ATOM 245 CB THR A 14 8.490 3.172 -10.402 1.00 0.00 C ATOM 246 OG1 THR A 14 9.743 3.668 -10.889 1.00 0.00 O ATOM 247 CG2 THR A 14 7.415 4.238 -10.538 1.00 0.00 C ATOM 0 H THR A 14 10.446 3.729 -8.739 1.00 0.00 H new ATOM 0 HA THR A 14 7.659 2.869 -8.466 1.00 0.00 H new ATOM 0 HB THR A 14 8.195 2.310 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.642 3.952 -11.821 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.335 4.543 -11.581 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.459 3.835 -10.204 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.679 5.101 -9.927 1.00 0.00 H new ATOM 255 N LEU A 15 8.089 0.389 -8.575 1.00 0.00 N ATOM 256 CA LEU A 15 8.390 -1.026 -8.473 1.00 0.00 C ATOM 257 C LEU A 15 7.154 -1.884 -8.739 1.00 0.00 C ATOM 258 O LEU A 15 6.202 -1.883 -7.965 1.00 0.00 O ATOM 259 CB LEU A 15 8.954 -1.293 -7.071 1.00 0.00 C ATOM 260 CG LEU A 15 8.847 -2.733 -6.570 1.00 0.00 C ATOM 261 CD1 LEU A 15 9.587 -3.689 -7.489 1.00 0.00 C ATOM 262 CD2 LEU A 15 9.377 -2.832 -5.149 1.00 0.00 C ATOM 0 H LEU A 15 7.118 0.636 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 15 9.125 -1.298 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.005 -1.003 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.438 -0.644 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 15 7.796 -3.020 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.494 -4.706 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.159 -3.636 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.640 -3.412 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.296 -3.862 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.422 -2.523 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.793 -2.182 -4.497 1.00 0.00 H new ATOM 274 N GLU A 16 7.191 -2.622 -9.843 1.00 0.00 N ATOM 275 CA GLU A 16 6.091 -3.495 -10.233 1.00 0.00 C ATOM 276 C GLU A 16 5.977 -4.700 -9.304 1.00 0.00 C ATOM 277 O GLU A 16 6.972 -5.357 -8.997 1.00 0.00 O ATOM 278 CB GLU A 16 6.297 -3.970 -11.673 1.00 0.00 C ATOM 279 CG GLU A 16 5.225 -4.926 -12.167 1.00 0.00 C ATOM 280 CD GLU A 16 5.527 -5.469 -13.549 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.575 -6.130 -13.711 1.00 0.00 O ATOM 282 OE2 GLU A 16 4.718 -5.234 -14.471 1.00 0.00 O ATOM 0 H GLU A 16 7.980 -2.632 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 16 5.165 -2.925 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.326 -3.101 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.268 -4.459 -11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.131 -5.756 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.264 -4.412 -12.184 1.00 0.00 H new ATOM 289 N VAL A 17 4.751 -4.989 -8.878 1.00 0.00 N ATOM 290 CA VAL A 17 4.478 -6.121 -7.996 1.00 0.00 C ATOM 291 C VAL A 17 3.043 -6.596 -8.174 1.00 0.00 C ATOM 292 O VAL A 17 2.122 -5.789 -8.286 1.00 0.00 O ATOM 293 CB VAL A 17 4.711 -5.774 -6.513 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.187 -5.580 -6.231 1.00 0.00 C ATOM 295 CG2 VAL A 17 3.928 -4.539 -6.119 1.00 0.00 C ATOM 0 H VAL A 17 3.923 -4.450 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 17 5.174 -6.913 -8.274 1.00 0.00 H new ATOM 0 HB VAL A 17 4.355 -6.611 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.327 -5.336 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.726 -6.498 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.571 -4.766 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.108 -4.314 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.247 -3.695 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.864 -4.718 -6.274 1.00 0.00 H new ATOM 305 N GLU A 18 2.860 -7.908 -8.211 1.00 0.00 N ATOM 306 CA GLU A 18 1.537 -8.488 -8.393 1.00 0.00 C ATOM 307 C GLU A 18 0.683 -8.319 -7.141 1.00 0.00 C ATOM 308 O GLU A 18 1.170 -8.475 -6.022 1.00 0.00 O ATOM 309 CB GLU A 18 1.662 -9.971 -8.747 1.00 0.00 C ATOM 310 CG GLU A 18 2.593 -10.239 -9.918 1.00 0.00 C ATOM 311 CD GLU A 18 2.078 -9.664 -11.225 1.00 0.00 C ATOM 312 OE1 GLU A 18 1.924 -8.428 -11.313 1.00 0.00 O ATOM 313 OE2 GLU A 18 1.827 -10.453 -12.161 1.00 0.00 O ATOM 0 H GLU A 18 3.611 -8.591 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 18 1.045 -7.961 -9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.023 -10.515 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.673 -10.365 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.573 -9.814 -9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.729 -11.315 -10.029 1.00 0.00 H new ATOM 320 N PRO A 19 -0.613 -8.003 -7.316 1.00 0.00 N ATOM 321 CA PRO A 19 -1.545 -7.825 -6.199 1.00 0.00 C ATOM 322 C PRO A 19 -1.509 -9.005 -5.242 1.00 0.00 C ATOM 323 O PRO A 19 -1.607 -8.844 -4.026 1.00 0.00 O ATOM 324 CB PRO A 19 -2.921 -7.748 -6.873 1.00 0.00 C ATOM 325 CG PRO A 19 -2.702 -8.168 -8.289 1.00 0.00 C ATOM 326 CD PRO A 19 -1.282 -7.808 -8.608 1.00 0.00 C ATOM 0 HA PRO A 19 -1.299 -6.945 -5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.637 -8.403 -6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.326 -6.737 -6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.870 -9.238 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.394 -7.659 -8.959 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.864 -8.450 -9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.192 -6.781 -8.962 1.00 0.00 H new ATOM 334 N SER A 20 -1.371 -10.192 -5.813 1.00 0.00 N ATOM 335 CA SER A 20 -1.325 -11.419 -5.037 1.00 0.00 C ATOM 336 C SER A 20 -0.099 -11.447 -4.130 1.00 0.00 C ATOM 337 O SER A 20 -0.149 -11.986 -3.026 1.00 0.00 O ATOM 338 CB SER A 20 -1.320 -12.621 -5.977 1.00 0.00 C ATOM 339 OG SER A 20 -1.291 -13.840 -5.253 1.00 0.00 O ATOM 0 H SER A 20 -1.288 -10.330 -6.820 1.00 0.00 H new ATOM 0 HA SER A 20 -2.210 -11.463 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.206 -12.593 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.454 -12.566 -6.636 1.00 0.00 H new ATOM 0 HG SER A 20 -1.290 -14.593 -5.880 1.00 0.00 H new ATOM 345 N ASP A 21 1.000 -10.858 -4.598 1.00 0.00 N ATOM 346 CA ASP A 21 2.229 -10.816 -3.812 1.00 0.00 C ATOM 347 C ASP A 21 1.971 -10.192 -2.444 1.00 0.00 C ATOM 348 O ASP A 21 1.352 -9.133 -2.337 1.00 0.00 O ATOM 349 CB ASP A 21 3.322 -10.038 -4.556 1.00 0.00 C ATOM 350 CG ASP A 21 3.901 -10.820 -5.717 1.00 0.00 C ATOM 351 OD1 ASP A 21 4.426 -11.928 -5.484 1.00 0.00 O ATOM 352 OD2 ASP A 21 3.836 -10.322 -6.859 1.00 0.00 O ATOM 0 H ASP A 21 1.064 -10.407 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 21 2.574 -11.840 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.909 -9.099 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.121 -9.783 -3.859 1.00 0.00 H new ATOM 357 N THR A 22 2.439 -10.868 -1.399 1.00 0.00 N ATOM 358 CA THR A 22 2.253 -10.400 -0.029 1.00 0.00 C ATOM 359 C THR A 22 2.872 -9.027 0.191 1.00 0.00 C ATOM 360 O THR A 22 3.903 -8.696 -0.396 1.00 0.00 O ATOM 361 CB THR A 22 2.861 -11.379 0.990 1.00 0.00 C ATOM 362 OG1 THR A 22 4.267 -11.517 0.760 1.00 0.00 O ATOM 363 CG2 THR A 22 2.194 -12.740 0.900 1.00 0.00 C ATOM 0 H THR A 22 2.952 -11.746 -1.476 1.00 0.00 H new ATOM 0 HA THR A 22 1.176 -10.336 0.124 1.00 0.00 H new ATOM 0 HB THR A 22 2.694 -10.976 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.646 -12.141 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.642 -13.414 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.129 -12.637 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.332 -13.147 -0.102 1.00 0.00 H new ATOM 371 N ILE A 23 2.241 -8.239 1.056 1.00 0.00 N ATOM 372 CA ILE A 23 2.731 -6.906 1.379 1.00 0.00 C ATOM 373 C ILE A 23 4.153 -6.990 1.922 1.00 0.00 C ATOM 374 O ILE A 23 4.957 -6.073 1.754 1.00 0.00 O ATOM 375 CB ILE A 23 1.827 -6.209 2.417 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.384 -6.150 1.908 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.347 -4.811 2.720 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.587 -5.534 2.893 1.00 0.00 C ATOM 0 H ILE A 23 1.387 -8.503 1.547 1.00 0.00 H new ATOM 0 HA ILE A 23 2.719 -6.317 0.462 1.00 0.00 H new ATOM 0 HB ILE A 23 1.844 -6.788 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.359 -5.577 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.052 -7.160 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.698 -4.333 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.359 -4.878 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.356 -4.220 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.588 -5.527 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.592 -6.119 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.281 -4.512 3.115 1.00 0.00 H new ATOM 390 N GLU A 24 4.454 -8.110 2.565 1.00 0.00 N ATOM 391 CA GLU A 24 5.770 -8.349 3.128 1.00 0.00 C ATOM 392 C GLU A 24 6.822 -8.462 2.026 1.00 0.00 C ATOM 393 O GLU A 24 7.952 -8.002 2.184 1.00 0.00 O ATOM 394 CB GLU A 24 5.740 -9.622 3.974 1.00 0.00 C ATOM 395 CG GLU A 24 7.113 -10.115 4.381 1.00 0.00 C ATOM 396 CD GLU A 24 7.055 -11.328 5.288 1.00 0.00 C ATOM 397 OE1 GLU A 24 6.463 -11.222 6.384 1.00 0.00 O ATOM 398 OE2 GLU A 24 7.601 -12.383 4.905 1.00 0.00 O ATOM 0 H GLU A 24 3.794 -8.874 2.709 1.00 0.00 H new ATOM 0 HA GLU A 24 6.041 -7.504 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.149 -9.438 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.233 -10.408 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.685 -10.362 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.647 -9.312 4.889 1.00 0.00 H new ATOM 405 N ASN A 25 6.440 -9.079 0.910 1.00 0.00 N ATOM 406 CA ASN A 25 7.350 -9.255 -0.217 1.00 0.00 C ATOM 407 C ASN A 25 7.602 -7.934 -0.936 1.00 0.00 C ATOM 408 O ASN A 25 8.745 -7.593 -1.239 1.00 0.00 O ATOM 409 CB ASN A 25 6.793 -10.286 -1.201 1.00 0.00 C ATOM 410 CG ASN A 25 6.706 -11.683 -0.609 1.00 0.00 C ATOM 411 OD1 ASN A 25 6.272 -12.622 -1.277 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.118 -11.831 0.647 1.00 0.00 N ATOM 0 H ASN A 25 5.507 -9.465 0.763 1.00 0.00 H new ATOM 0 HA ASN A 25 8.299 -9.616 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.801 -9.972 -1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.425 -10.312 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.081 -12.749 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.471 -11.027 1.166 1.00 0.00 H new ATOM 419 N VAL A 26 6.531 -7.195 -1.212 1.00 0.00 N ATOM 420 CA VAL A 26 6.649 -5.917 -1.902 1.00 0.00 C ATOM 421 C VAL A 26 7.551 -4.959 -1.127 1.00 0.00 C ATOM 422 O VAL A 26 8.380 -4.263 -1.715 1.00 0.00 O ATOM 423 CB VAL A 26 5.271 -5.264 -2.134 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.387 -6.174 -2.973 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.594 -4.921 -0.817 1.00 0.00 C ATOM 0 H VAL A 26 5.576 -7.459 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 26 7.098 -6.120 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 26 5.427 -4.333 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.418 -5.699 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.861 -6.353 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.247 -7.123 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.625 -4.462 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.453 -5.830 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.218 -4.224 -0.258 1.00 0.00 H new ATOM 435 N LYS A 27 7.395 -4.937 0.195 1.00 0.00 N ATOM 436 CA LYS A 27 8.210 -4.074 1.045 1.00 0.00 C ATOM 437 C LYS A 27 9.667 -4.520 1.022 1.00 0.00 C ATOM 438 O LYS A 27 10.580 -3.695 0.986 1.00 0.00 O ATOM 439 CB LYS A 27 7.692 -4.087 2.484 1.00 0.00 C ATOM 440 CG LYS A 27 6.339 -3.422 2.662 1.00 0.00 C ATOM 441 CD LYS A 27 5.916 -3.417 4.123 1.00 0.00 C ATOM 442 CE LYS A 27 4.619 -2.654 4.332 1.00 0.00 C ATOM 443 NZ LYS A 27 4.735 -1.233 3.907 1.00 0.00 N ATOM 0 H LYS A 27 6.714 -5.505 0.699 1.00 0.00 H new ATOM 0 HA LYS A 27 8.143 -3.059 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.625 -5.120 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.418 -3.586 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.382 -2.398 2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.592 -3.947 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.794 -4.443 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.704 -2.968 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.820 -3.137 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.339 -2.696 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.099 -0.645 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.716 -0.911 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.471 -1.148 2.905 1.00 0.00 H new ATOM 457 N ALA A 28 9.873 -5.833 1.053 1.00 0.00 N ATOM 458 CA ALA A 28 11.215 -6.404 1.044 1.00 0.00 C ATOM 459 C ALA A 28 12.037 -5.876 -0.128 1.00 0.00 C ATOM 460 O ALA A 28 13.224 -5.585 0.017 1.00 0.00 O ATOM 461 CB ALA A 28 11.139 -7.922 0.999 1.00 0.00 C ATOM 0 H ALA A 28 9.124 -6.524 1.085 1.00 0.00 H new ATOM 0 HA ALA A 28 11.716 -6.101 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.147 -8.337 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.603 -8.286 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.613 -8.233 0.097 1.00 0.00 H new ATOM 467 N LYS A 29 11.396 -5.749 -1.287 1.00 0.00 N ATOM 468 CA LYS A 29 12.066 -5.252 -2.480 1.00 0.00 C ATOM 469 C LYS A 29 12.490 -3.809 -2.274 1.00 0.00 C ATOM 470 O LYS A 29 13.589 -3.414 -2.656 1.00 0.00 O ATOM 471 CB LYS A 29 11.139 -5.356 -3.689 1.00 0.00 C ATOM 472 CG LYS A 29 10.434 -6.696 -3.795 1.00 0.00 C ATOM 473 CD LYS A 29 9.533 -6.760 -5.017 1.00 0.00 C ATOM 474 CE LYS A 29 8.819 -8.098 -5.113 1.00 0.00 C ATOM 475 NZ LYS A 29 9.776 -9.234 -5.212 1.00 0.00 N ATOM 0 H LYS A 29 10.413 -5.984 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 29 12.952 -5.860 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.392 -4.564 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.718 -5.186 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.175 -7.494 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.842 -6.868 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.798 -5.957 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.126 -6.598 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.184 -8.234 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.164 -8.098 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.265 -10.095 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.503 -9.014 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.229 -9.388 -4.289 1.00 0.00 H new ATOM 489 N ILE A 30 11.608 -3.031 -1.656 1.00 0.00 N ATOM 490 CA ILE A 30 11.887 -1.633 -1.380 1.00 0.00 C ATOM 491 C ILE A 30 13.157 -1.509 -0.545 1.00 0.00 C ATOM 492 O ILE A 30 13.950 -0.585 -0.735 1.00 0.00 O ATOM 493 CB ILE A 30 10.717 -0.959 -0.643 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.431 -1.083 -1.468 1.00 0.00 C ATOM 495 CG2 ILE A 30 11.038 0.505 -0.366 1.00 0.00 C ATOM 496 CD1 ILE A 30 8.209 -0.508 -0.785 1.00 0.00 C ATOM 0 H ILE A 30 10.693 -3.349 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 30 12.024 -1.127 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 30 10.566 -1.463 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.573 -0.578 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.251 -2.135 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.201 0.969 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.933 0.570 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.210 1.024 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.339 -0.633 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.040 -1.029 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.367 0.553 -0.590 1.00 0.00 H new ATOM 508 N GLN A 31 13.359 -2.465 0.361 1.00 0.00 N ATOM 509 CA GLN A 31 14.548 -2.481 1.198 1.00 0.00 C ATOM 510 C GLN A 31 15.773 -2.607 0.311 1.00 0.00 C ATOM 511 O GLN A 31 16.752 -1.880 0.466 1.00 0.00 O ATOM 512 CB GLN A 31 14.497 -3.648 2.187 1.00 0.00 C ATOM 513 CG GLN A 31 13.281 -3.626 3.097 1.00 0.00 C ATOM 514 CD GLN A 31 13.259 -4.793 4.064 1.00 0.00 C ATOM 515 OE1 GLN A 31 14.171 -4.962 4.872 1.00 0.00 O ATOM 516 NE2 GLN A 31 12.212 -5.608 3.984 1.00 0.00 N ATOM 0 H GLN A 31 12.713 -3.236 0.531 1.00 0.00 H new ATOM 0 HA GLN A 31 14.597 -1.554 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.506 -4.585 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.398 -3.633 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.269 -2.692 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.376 -3.644 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.478 -5.430 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.142 -6.412 4.608 1.00 0.00 H new ATOM 525 N ASP A 32 15.689 -3.523 -0.646 1.00 0.00 N ATOM 526 CA ASP A 32 16.767 -3.736 -1.594 1.00 0.00 C ATOM 527 C ASP A 32 16.915 -2.496 -2.463 1.00 0.00 C ATOM 528 O ASP A 32 18.012 -2.141 -2.895 1.00 0.00 O ATOM 529 CB ASP A 32 16.475 -4.959 -2.467 1.00 0.00 C ATOM 530 CG ASP A 32 17.587 -5.249 -3.459 1.00 0.00 C ATOM 531 OD1 ASP A 32 17.853 -4.389 -4.324 1.00 0.00 O ATOM 532 OD2 ASP A 32 18.191 -6.338 -3.368 1.00 0.00 O ATOM 0 H ASP A 32 14.881 -4.130 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 32 17.695 -3.917 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.327 -5.830 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.543 -4.799 -3.009 1.00 0.00 H new ATOM 537 N LYS A 33 15.783 -1.848 -2.705 1.00 0.00 N ATOM 538 CA LYS A 33 15.727 -0.642 -3.513 1.00 0.00 C ATOM 539 C LYS A 33 16.495 0.494 -2.842 1.00 0.00 C ATOM 540 O LYS A 33 17.073 1.349 -3.516 1.00 0.00 O ATOM 541 CB LYS A 33 14.264 -0.247 -3.738 1.00 0.00 C ATOM 542 CG LYS A 33 14.048 0.672 -4.929 1.00 0.00 C ATOM 543 CD LYS A 33 14.497 0.015 -6.226 1.00 0.00 C ATOM 544 CE LYS A 33 14.103 0.840 -7.439 1.00 0.00 C ATOM 545 NZ LYS A 33 12.629 1.037 -7.522 1.00 0.00 N ATOM 0 H LYS A 33 14.877 -2.147 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 33 16.196 -0.837 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.672 -1.151 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.889 0.244 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.993 0.937 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.600 1.600 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.579 -0.117 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.055 -0.979 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.597 1.811 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.455 0.345 -8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.316 0.905 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.151 0.344 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.389 1.999 -7.208 1.00 0.00 H new ATOM 559 N GLU A 34 16.505 0.494 -1.508 1.00 0.00 N ATOM 560 CA GLU A 34 17.210 1.523 -0.745 1.00 0.00 C ATOM 561 C GLU A 34 17.818 0.946 0.533 1.00 0.00 C ATOM 562 O GLU A 34 19.040 0.869 0.665 1.00 0.00 O ATOM 563 CB GLU A 34 16.263 2.676 -0.398 1.00 0.00 C ATOM 564 CG GLU A 34 15.786 3.464 -1.610 1.00 0.00 C ATOM 565 CD GLU A 34 16.916 4.174 -2.335 1.00 0.00 C ATOM 566 OE1 GLU A 34 18.072 4.090 -1.869 1.00 0.00 O ATOM 567 OE2 GLU A 34 16.641 4.820 -3.368 1.00 0.00 O ATOM 0 H GLU A 34 16.034 -0.206 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 34 18.020 1.902 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.396 2.276 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.768 3.355 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.285 2.788 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.047 4.199 -1.291 1.00 0.00 H new ATOM 574 N GLY A 35 16.966 0.534 1.470 1.00 0.00 N ATOM 575 CA GLY A 35 17.458 -0.035 2.714 1.00 0.00 C ATOM 576 C GLY A 35 16.673 0.427 3.928 1.00 0.00 C ATOM 577 O GLY A 35 17.256 0.855 4.925 1.00 0.00 O ATOM 0 H GLY A 35 15.950 0.584 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.414 -1.122 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.506 0.235 2.841 1.00 0.00 H new ATOM 581 N ILE A 36 15.351 0.345 3.844 1.00 0.00 N ATOM 582 CA ILE A 36 14.484 0.761 4.935 1.00 0.00 C ATOM 583 C ILE A 36 13.534 -0.354 5.357 1.00 0.00 C ATOM 584 O ILE A 36 12.839 -0.935 4.525 1.00 0.00 O ATOM 585 CB ILE A 36 13.643 1.980 4.532 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.250 1.876 3.057 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.399 3.269 4.812 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.354 2.992 2.580 1.00 0.00 C ATOM 0 H ILE A 36 14.855 -0.008 3.026 1.00 0.00 H new ATOM 0 HA ILE A 36 15.137 1.014 5.770 1.00 0.00 H new ATOM 0 HB ILE A 36 12.732 1.997 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.155 1.867 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.746 0.924 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.786 4.121 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.626 3.334 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.328 3.277 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.121 2.846 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.431 2.990 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.862 3.947 2.710 1.00 0.00 H new ATOM 600 N PRO A 37 13.484 -0.653 6.666 1.00 0.00 N ATOM 601 CA PRO A 37 12.603 -1.689 7.210 1.00 0.00 C ATOM 602 C PRO A 37 11.184 -1.595 6.649 1.00 0.00 C ATOM 603 O PRO A 37 10.651 -0.500 6.470 1.00 0.00 O ATOM 604 CB PRO A 37 12.598 -1.375 8.703 1.00 0.00 C ATOM 605 CG PRO A 37 13.935 -0.776 8.961 1.00 0.00 C ATOM 606 CD PRO A 37 14.283 0.002 7.721 1.00 0.00 C ATOM 0 HA PRO A 37 12.943 -2.694 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.796 -0.683 8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.445 -2.276 9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.910 -0.126 9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.678 -1.549 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.025 1.056 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.350 -0.046 7.504 1.00 0.00 H new ATOM 614 N PRO A 38 10.553 -2.747 6.364 1.00 0.00 N ATOM 615 CA PRO A 38 9.191 -2.791 5.819 1.00 0.00 C ATOM 616 C PRO A 38 8.176 -2.105 6.731 1.00 0.00 C ATOM 617 O PRO A 38 7.197 -1.526 6.261 1.00 0.00 O ATOM 618 CB PRO A 38 8.883 -4.291 5.710 1.00 0.00 C ATOM 619 CG PRO A 38 9.893 -4.968 6.573 1.00 0.00 C ATOM 620 CD PRO A 38 11.114 -4.095 6.547 1.00 0.00 C ATOM 0 HA PRO A 38 9.124 -2.263 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.870 -4.509 6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.956 -4.633 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.520 -5.086 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.119 -5.966 6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.685 -4.172 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.787 -4.366 5.733 1.00 0.00 H new ATOM 628 N ASP A 39 8.416 -2.180 8.036 1.00 0.00 N ATOM 629 CA ASP A 39 7.524 -1.573 9.017 1.00 0.00 C ATOM 630 C ASP A 39 7.440 -0.063 8.825 1.00 0.00 C ATOM 631 O ASP A 39 6.382 0.537 9.014 1.00 0.00 O ATOM 632 CB ASP A 39 8.004 -1.892 10.435 1.00 0.00 C ATOM 633 CG ASP A 39 7.110 -1.283 11.498 1.00 0.00 C ATOM 634 OD1 ASP A 39 5.907 -1.618 11.525 1.00 0.00 O ATOM 635 OD2 ASP A 39 7.613 -0.475 12.305 1.00 0.00 O ATOM 0 H ASP A 39 9.223 -2.656 8.439 1.00 0.00 H new ATOM 0 HA ASP A 39 6.528 -1.992 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.039 -2.973 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.021 -1.522 10.563 1.00 0.00 H new ATOM 640 N GLN A 40 8.563 0.548 8.456 1.00 0.00 N ATOM 641 CA GLN A 40 8.614 1.989 8.249 1.00 0.00 C ATOM 642 C GLN A 40 7.645 2.433 7.157 1.00 0.00 C ATOM 643 O GLN A 40 6.925 3.417 7.321 1.00 0.00 O ATOM 644 CB GLN A 40 10.034 2.420 7.887 1.00 0.00 C ATOM 645 CG GLN A 40 11.032 2.256 9.021 1.00 0.00 C ATOM 646 CD GLN A 40 12.470 2.431 8.566 1.00 0.00 C ATOM 647 OE1 GLN A 40 13.391 2.444 9.382 1.00 0.00 O ATOM 648 NE2 GLN A 40 12.670 2.553 7.256 1.00 0.00 N ATOM 0 H GLN A 40 9.448 0.067 8.295 1.00 0.00 H new ATOM 0 HA GLN A 40 8.315 2.468 9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.373 1.838 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.019 3.465 7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.811 2.984 9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.913 1.267 9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.877 2.537 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.617 2.663 6.893 1.00 0.00 H new ATOM 657 N GLN A 41 7.639 1.710 6.041 1.00 0.00 N ATOM 658 CA GLN A 41 6.765 2.042 4.922 1.00 0.00 C ATOM 659 C GLN A 41 5.300 2.027 5.345 1.00 0.00 C ATOM 660 O GLN A 41 4.813 1.042 5.901 1.00 0.00 O ATOM 661 CB GLN A 41 6.982 1.067 3.762 1.00 0.00 C ATOM 662 CG GLN A 41 8.303 1.253 3.024 1.00 0.00 C ATOM 663 CD GLN A 41 9.520 1.003 3.895 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.808 1.763 4.819 1.00 0.00 O ATOM 665 NE2 GLN A 41 10.244 -0.071 3.601 1.00 0.00 N ATOM 0 H GLN A 41 8.229 0.892 5.888 1.00 0.00 H new ATOM 0 HA GLN A 41 7.018 3.049 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.934 0.048 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.163 1.179 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.332 0.577 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.350 2.268 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.969 -0.675 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.075 -0.292 4.150 1.00 0.00 H new ATOM 674 N ARG A 42 4.603 3.127 5.076 1.00 0.00 N ATOM 675 CA ARG A 42 3.196 3.246 5.425 1.00 0.00 C ATOM 676 C ARG A 42 2.304 2.928 4.231 1.00 0.00 C ATOM 677 O ARG A 42 2.480 3.487 3.151 1.00 0.00 O ATOM 678 CB ARG A 42 2.887 4.654 5.932 1.00 0.00 C ATOM 679 CG ARG A 42 3.631 5.027 7.205 1.00 0.00 C ATOM 680 CD ARG A 42 3.307 6.447 7.643 1.00 0.00 C ATOM 681 NE ARG A 42 4.009 6.822 8.867 1.00 0.00 N ATOM 682 CZ ARG A 42 3.819 6.229 10.043 1.00 0.00 C ATOM 683 NH1 ARG A 42 2.940 5.241 10.160 1.00 0.00 N ATOM 684 NH2 ARG A 42 4.506 6.625 11.105 1.00 0.00 N ATOM 0 H ARG A 42 4.993 3.949 4.616 1.00 0.00 H new ATOM 0 HA ARG A 42 2.990 2.525 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.137 5.373 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.815 4.738 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.366 4.330 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.704 4.931 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.574 7.141 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.232 6.540 7.800 1.00 0.00 H new ATOM 0 HE ARG A 42 4.685 7.584 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.407 4.934 9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.798 4.789 11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.181 7.385 11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.360 6.170 12.006 1.00 0.00 H new ATOM 698 N LEU A 43 1.336 2.037 4.433 1.00 0.00 N ATOM 699 CA LEU A 43 0.415 1.666 3.365 1.00 0.00 C ATOM 700 C LEU A 43 -0.664 2.720 3.170 1.00 0.00 C ATOM 701 O LEU A 43 -1.300 3.160 4.127 1.00 0.00 O ATOM 702 CB LEU A 43 -0.236 0.311 3.643 1.00 0.00 C ATOM 703 CG LEU A 43 0.681 -0.895 3.459 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.107 -2.188 3.615 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.353 -0.843 2.096 1.00 0.00 C ATOM 0 H LEU A 43 1.171 1.562 5.320 1.00 0.00 H new ATOM 0 HA LEU A 43 1.002 1.595 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.613 0.309 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.098 0.197 2.985 1.00 0.00 H new ATOM 0 HG LEU A 43 1.453 -0.866 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.560 -3.039 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.549 -2.227 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.897 -2.225 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.004 -1.709 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.593 -0.852 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.944 0.069 2.017 1.00 0.00 H new ATOM 717 N ILE A 44 -0.869 3.111 1.918 1.00 0.00 N ATOM 718 CA ILE A 44 -1.877 4.103 1.579 1.00 0.00 C ATOM 719 C ILE A 44 -2.530 3.770 0.242 1.00 0.00 C ATOM 720 O ILE A 44 -1.843 3.562 -0.758 1.00 0.00 O ATOM 721 CB ILE A 44 -1.276 5.520 1.515 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.682 5.899 2.873 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.336 6.527 1.091 1.00 0.00 C ATOM 724 CD1 ILE A 44 -0.049 7.269 2.900 1.00 0.00 C ATOM 0 H ILE A 44 -0.347 2.753 1.118 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.630 4.081 2.367 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.479 5.532 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.468 5.857 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.067 5.157 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.896 7.523 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.719 6.259 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.153 6.520 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.350 7.466 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.760 7.311 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.799 8.021 2.654 1.00 0.00 H new ATOM 736 N PHE A 45 -3.857 3.717 0.234 1.00 0.00 N ATOM 737 CA PHE A 45 -4.607 3.405 -0.978 1.00 0.00 C ATOM 738 C PHE A 45 -5.453 4.601 -1.402 1.00 0.00 C ATOM 739 O PHE A 45 -5.961 5.337 -0.556 1.00 0.00 O ATOM 740 CB PHE A 45 -5.512 2.186 -0.760 1.00 0.00 C ATOM 741 CG PHE A 45 -4.792 0.935 -0.326 1.00 0.00 C ATOM 742 CD1 PHE A 45 -4.008 0.923 0.819 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.908 -0.233 -1.063 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.356 -0.229 1.218 1.00 0.00 C ATOM 745 CE2 PHE A 45 -4.256 -1.386 -0.669 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.480 -1.384 0.473 1.00 0.00 C ATOM 0 H PHE A 45 -4.437 3.887 1.055 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.891 3.174 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.261 2.437 -0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.047 1.978 -1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.906 1.824 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.515 -0.242 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.750 -0.225 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.353 -2.288 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.971 -2.285 0.783 1.00 0.00 H new ATOM 756 N ALA A 46 -5.605 4.798 -2.710 1.00 0.00 N ATOM 757 CA ALA A 46 -6.397 5.916 -3.215 1.00 0.00 C ATOM 758 C ALA A 46 -6.999 5.603 -4.580 1.00 0.00 C ATOM 759 O ALA A 46 -6.285 5.291 -5.532 1.00 0.00 O ATOM 760 CB ALA A 46 -5.542 7.172 -3.290 1.00 0.00 C ATOM 0 H ALA A 46 -5.195 4.205 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.220 6.085 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.143 7.999 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.170 7.419 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.700 6.999 -3.960 1.00 0.00 H new ATOM 766 N GLY A 47 -8.324 5.694 -4.665 1.00 0.00 N ATOM 767 CA GLY A 47 -9.012 5.420 -5.912 1.00 0.00 C ATOM 768 C GLY A 47 -8.766 6.481 -6.968 1.00 0.00 C ATOM 769 O GLY A 47 -7.636 6.933 -7.156 1.00 0.00 O ATOM 0 H GLY A 47 -8.933 5.953 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.688 4.452 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.083 5.346 -5.722 1.00 0.00 H new ATOM 868 N MET B 1 -1.648 -3.214 11.932 1.00 0.00 N ATOM 869 CA MET B 1 -1.253 -2.687 10.634 1.00 0.00 C ATOM 870 C MET B 1 -2.440 -2.030 9.927 1.00 0.00 C ATOM 871 O MET B 1 -2.736 -2.324 8.768 1.00 0.00 O ATOM 872 CB MET B 1 -0.661 -3.807 9.774 1.00 0.00 C ATOM 873 CG MET B 1 -0.172 -3.347 8.410 1.00 0.00 C ATOM 874 SD MET B 1 1.076 -2.052 8.516 1.00 0.00 S ATOM 875 CE MET B 1 1.322 -1.694 6.780 1.00 0.00 C ATOM 0 H1 MET B 1 -1.125 -2.718 12.682 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.669 -3.070 12.069 1.00 0.00 H new ATOM 0 H3 MET B 1 -1.433 -4.231 11.974 1.00 0.00 H new ATOM 0 HA MET B 1 -0.492 -1.922 10.786 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.170 -4.263 10.312 1.00 0.00 H new ATOM 0 HB3 MET B 1 -1.415 -4.582 9.636 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.241 -4.200 7.871 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.019 -2.982 7.829 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.228 -1.101 6.656 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.420 -2.628 6.226 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.468 -1.135 6.399 1.00 0.00 H new ATOM 885 N GLN B 2 -3.119 -1.132 10.637 1.00 0.00 N ATOM 886 CA GLN B 2 -4.266 -0.426 10.084 1.00 0.00 C ATOM 887 C GLN B 2 -3.855 0.403 8.868 1.00 0.00 C ATOM 888 O GLN B 2 -3.139 1.397 8.987 1.00 0.00 O ATOM 889 CB GLN B 2 -4.882 0.472 11.161 1.00 0.00 C ATOM 890 CG GLN B 2 -3.865 1.371 11.850 1.00 0.00 C ATOM 891 CD GLN B 2 -4.433 2.100 13.053 1.00 0.00 C ATOM 892 OE1 GLN B 2 -5.338 2.922 12.929 1.00 0.00 O ATOM 893 NE2 GLN B 2 -3.901 1.798 14.232 1.00 0.00 N ATOM 0 H GLN B 2 -2.892 -0.878 11.598 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.008 -1.156 9.759 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.656 1.091 10.708 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.370 -0.152 11.909 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.013 0.769 12.166 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.491 2.102 11.133 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.151 1.110 14.292 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -4.243 2.255 15.078 1.00 0.00 H new ATOM 902 N ILE B 3 -4.311 -0.029 7.697 1.00 0.00 N ATOM 903 CA ILE B 3 -4.001 0.643 6.443 1.00 0.00 C ATOM 904 C ILE B 3 -4.822 1.914 6.256 1.00 0.00 C ATOM 905 O ILE B 3 -6.044 1.907 6.406 1.00 0.00 O ATOM 906 CB ILE B 3 -4.251 -0.290 5.239 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.650 -0.905 5.315 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.185 -1.373 5.178 1.00 0.00 C ATOM 909 CD1 ILE B 3 -6.006 -1.756 4.115 1.00 0.00 C ATOM 0 H ILE B 3 -4.904 -0.852 7.592 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.946 0.911 6.491 1.00 0.00 H new ATOM 0 HB ILE B 3 -4.191 0.300 4.325 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.721 -1.515 6.216 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.384 -0.105 5.413 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.375 -2.023 4.324 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.203 -0.912 5.072 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.212 -1.962 6.095 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.011 -2.158 4.240 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.968 -1.146 3.212 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.295 -2.577 4.028 1.00 0.00 H new ATOM 921 N PHE B 4 -4.140 2.998 5.901 1.00 0.00 N ATOM 922 CA PHE B 4 -4.800 4.274 5.661 1.00 0.00 C ATOM 923 C PHE B 4 -5.213 4.359 4.196 1.00 0.00 C ATOM 924 O PHE B 4 -4.424 4.042 3.307 1.00 0.00 O ATOM 925 CB PHE B 4 -3.872 5.444 6.012 1.00 0.00 C ATOM 926 CG PHE B 4 -3.472 5.500 7.462 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.822 4.432 8.062 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.744 6.625 8.222 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.454 4.486 9.393 1.00 0.00 C ATOM 930 CE2 PHE B 4 -3.378 6.685 9.554 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.731 5.615 10.139 1.00 0.00 C ATOM 0 H PHE B 4 -3.128 3.017 5.773 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.683 4.339 6.297 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.972 5.375 5.401 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.367 6.378 5.747 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.601 3.548 7.482 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.248 7.466 7.769 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.950 3.647 9.849 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -3.598 7.568 10.136 1.00 0.00 H new ATOM 0 HZ PHE B 4 -2.442 5.661 11.179 1.00 0.00 H new ATOM 941 N VAL B 5 -6.452 4.766 3.942 1.00 0.00 N ATOM 942 CA VAL B 5 -6.947 4.859 2.573 1.00 0.00 C ATOM 943 C VAL B 5 -7.904 6.031 2.397 1.00 0.00 C ATOM 944 O VAL B 5 -8.846 6.200 3.172 1.00 0.00 O ATOM 945 CB VAL B 5 -7.677 3.565 2.158 1.00 0.00 C ATOM 946 CG1 VAL B 5 -8.197 3.673 0.733 1.00 0.00 C ATOM 947 CG2 VAL B 5 -6.770 2.355 2.315 1.00 0.00 C ATOM 0 H VAL B 5 -7.127 5.035 4.658 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.074 5.012 1.938 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.532 3.431 2.821 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.708 2.749 0.461 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.894 4.508 0.662 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.362 3.839 0.053 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.308 1.456 2.016 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -5.889 2.477 1.685 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.462 2.264 3.357 1.00 0.00 H new ATOM 957 N LYS B 6 -7.669 6.827 1.360 1.00 0.00 N ATOM 958 CA LYS B 6 -8.523 7.970 1.067 1.00 0.00 C ATOM 959 C LYS B 6 -9.639 7.562 0.114 1.00 0.00 C ATOM 960 O LYS B 6 -9.378 7.050 -0.975 1.00 0.00 O ATOM 961 CB LYS B 6 -7.704 9.110 0.459 1.00 0.00 C ATOM 962 CG LYS B 6 -6.613 9.634 1.377 1.00 0.00 C ATOM 963 CD LYS B 6 -5.836 10.769 0.731 1.00 0.00 C ATOM 964 CE LYS B 6 -4.754 11.302 1.656 1.00 0.00 C ATOM 965 NZ LYS B 6 -3.982 12.410 1.028 1.00 0.00 N ATOM 0 H LYS B 6 -6.894 6.701 0.709 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.965 8.319 2.000 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.250 8.765 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.374 9.930 0.201 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -7.057 9.981 2.310 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.930 8.823 1.631 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.383 10.419 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -6.520 11.576 0.467 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -5.209 11.656 2.581 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.075 10.493 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.254 12.745 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.526 12.066 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.626 13.193 0.795 1.00 0.00 H new ATOM 979 N THR B 7 -10.883 7.784 0.525 1.00 0.00 N ATOM 980 CA THR B 7 -12.029 7.429 -0.302 1.00 0.00 C ATOM 981 C THR B 7 -12.149 8.354 -1.508 1.00 0.00 C ATOM 982 O THR B 7 -11.172 8.973 -1.929 1.00 0.00 O ATOM 983 CB THR B 7 -13.340 7.474 0.504 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.531 8.780 1.060 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.327 6.438 1.619 1.00 0.00 C ATOM 0 H THR B 7 -11.122 8.206 1.422 1.00 0.00 H new ATOM 0 HA THR B 7 -11.862 6.409 -0.650 1.00 0.00 H new ATOM 0 HB THR B 7 -14.163 7.245 -0.173 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.016 8.861 1.890 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.264 6.489 2.174 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.214 5.443 1.189 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.494 6.639 2.293 1.00 0.00 H new ATOM 993 N LEU B 8 -13.354 8.441 -2.061 1.00 0.00 N ATOM 994 CA LEU B 8 -13.603 9.289 -3.220 1.00 0.00 C ATOM 995 C LEU B 8 -13.800 10.742 -2.802 1.00 0.00 C ATOM 996 O LEU B 8 -13.181 11.648 -3.360 1.00 0.00 O ATOM 997 CB LEU B 8 -14.835 8.797 -3.991 1.00 0.00 C ATOM 998 CG LEU B 8 -14.701 7.414 -4.644 1.00 0.00 C ATOM 999 CD1 LEU B 8 -13.544 7.397 -5.625 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.510 6.331 -3.600 1.00 0.00 C ATOM 0 H LEU B 8 -14.173 7.935 -1.725 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.730 9.231 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.684 8.776 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.069 9.525 -4.768 1.00 0.00 H new ATOM 0 HG LEU B 8 -15.626 7.211 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -13.465 6.408 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -13.716 8.140 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -12.618 7.630 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -14.418 5.363 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -13.605 6.534 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -15.369 6.317 -2.929 1.00 0.00 H new ATOM 1012 N THR B 9 -14.669 10.957 -1.819 1.00 0.00 N ATOM 1013 CA THR B 9 -14.951 12.301 -1.329 1.00 0.00 C ATOM 1014 C THR B 9 -13.784 12.860 -0.522 1.00 0.00 C ATOM 1015 O THR B 9 -13.390 14.012 -0.702 1.00 0.00 O ATOM 1016 CB THR B 9 -16.219 12.323 -0.455 1.00 0.00 C ATOM 1017 OG1 THR B 9 -16.050 11.461 0.676 1.00 0.00 O ATOM 1018 CG2 THR B 9 -17.436 11.884 -1.254 1.00 0.00 C ATOM 0 H THR B 9 -15.190 10.218 -1.347 1.00 0.00 H new ATOM 0 HA THR B 9 -15.107 12.926 -2.208 1.00 0.00 H new ATOM 0 HB THR B 9 -16.378 13.345 -0.112 1.00 0.00 H new ATOM 0 HG1 THR B 9 -16.860 11.482 1.227 1.00 0.00 H new ATOM 0 HG21 THR B 9 -18.319 11.908 -0.615 1.00 0.00 H new ATOM 0 HG22 THR B 9 -17.580 12.559 -2.098 1.00 0.00 H new ATOM 0 HG23 THR B 9 -17.283 10.870 -1.623 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.236 12.039 0.372 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.123 12.481 1.191 1.00 0.00 C ATOM 1028 C GLY B 10 -11.980 11.678 2.470 1.00 0.00 C ATOM 1029 O GLY B 10 -10.873 11.501 2.978 1.00 0.00 O ATOM 0 H GLY B 10 -13.542 11.081 0.542 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.201 12.405 0.615 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.257 13.533 1.441 1.00 0.00 H new ATOM 1033 N LYS B 11 -13.108 11.205 2.995 1.00 0.00 N ATOM 1034 CA LYS B 11 -13.118 10.427 4.233 1.00 0.00 C ATOM 1035 C LYS B 11 -12.042 9.345 4.226 1.00 0.00 C ATOM 1036 O LYS B 11 -11.948 8.551 3.291 1.00 0.00 O ATOM 1037 CB LYS B 11 -14.489 9.779 4.440 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.563 8.897 5.678 1.00 0.00 C ATOM 1039 CD LYS B 11 -15.906 8.191 5.787 1.00 0.00 C ATOM 1040 CE LYS B 11 -17.051 9.181 5.929 1.00 0.00 C ATOM 1041 NZ LYS B 11 -18.367 8.496 6.042 1.00 0.00 N ATOM 0 H LYS B 11 -14.030 11.347 2.582 1.00 0.00 H new ATOM 0 HA LYS B 11 -12.908 11.114 5.053 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -15.244 10.561 4.515 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.736 9.181 3.563 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -13.764 8.156 5.645 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -14.398 9.504 6.568 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -16.066 7.574 4.903 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -15.896 7.520 6.646 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -16.888 9.801 6.811 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -17.062 9.849 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -19.121 9.206 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -18.535 7.924 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -18.366 7.878 6.878 1.00 0.00 H new ATOM 1055 N THR B 12 -11.242 9.318 5.286 1.00 0.00 N ATOM 1056 CA THR B 12 -10.181 8.330 5.423 1.00 0.00 C ATOM 1057 C THR B 12 -10.700 7.082 6.122 1.00 0.00 C ATOM 1058 O THR B 12 -11.468 7.174 7.081 1.00 0.00 O ATOM 1059 CB THR B 12 -8.993 8.888 6.224 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.530 10.108 5.633 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.852 7.882 6.275 1.00 0.00 C ATOM 0 H THR B 12 -11.310 9.972 6.065 1.00 0.00 H new ATOM 0 HA THR B 12 -9.844 8.079 4.417 1.00 0.00 H new ATOM 0 HB THR B 12 -9.332 9.083 7.241 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.775 10.456 6.151 1.00 0.00 H new ATOM 0 HG21 THR B 12 -7.024 8.300 6.847 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.197 6.965 6.753 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.517 7.660 5.262 1.00 0.00 H new ATOM 1069 N ILE B 13 -10.282 5.917 5.646 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.716 4.662 6.242 1.00 0.00 C ATOM 1071 C ILE B 13 -9.569 3.918 6.900 1.00 0.00 C ATOM 1072 O ILE B 13 -8.543 3.646 6.275 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.362 3.730 5.205 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.491 3.642 3.953 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.759 4.205 4.860 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.016 2.672 2.919 1.00 0.00 C ATOM 0 H ILE B 13 -9.647 5.815 4.854 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.452 4.935 6.998 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.441 2.732 5.636 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.413 4.632 3.504 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.483 3.343 4.242 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.201 3.533 4.124 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -13.374 4.212 5.760 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.709 5.212 4.447 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.348 2.661 2.058 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.068 1.673 3.351 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.012 2.982 2.602 1.00 0.00 H new ATOM 1088 N THR B 14 -9.768 3.559 8.158 1.00 0.00 N ATOM 1089 CA THR B 14 -8.774 2.806 8.901 1.00 0.00 C ATOM 1090 C THR B 14 -9.137 1.333 8.831 1.00 0.00 C ATOM 1091 O THR B 14 -10.312 0.980 8.936 1.00 0.00 O ATOM 1092 CB THR B 14 -8.700 3.252 10.370 1.00 0.00 C ATOM 1093 OG1 THR B 14 -8.900 4.666 10.463 1.00 0.00 O ATOM 1094 CG2 THR B 14 -7.348 2.898 10.959 1.00 0.00 C ATOM 0 H THR B 14 -10.612 3.779 8.686 1.00 0.00 H new ATOM 0 HA THR B 14 -7.795 2.986 8.456 1.00 0.00 H new ATOM 0 HB THR B 14 -9.481 2.736 10.928 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.853 4.942 11.402 1.00 0.00 H new ATOM 0 HG21 THR B 14 -7.309 3.219 12.000 1.00 0.00 H new ATOM 0 HG22 THR B 14 -7.199 1.819 10.907 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.562 3.400 10.395 1.00 0.00 H new ATOM 1102 N LEU B 15 -8.154 0.472 8.617 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.444 -0.949 8.496 1.00 0.00 C ATOM 1104 C LEU B 15 -7.208 -1.803 8.785 1.00 0.00 C ATOM 1105 O LEU B 15 -6.232 -1.773 8.045 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.975 -1.194 7.074 1.00 0.00 C ATOM 1107 CG LEU B 15 -9.438 -2.613 6.742 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -10.123 -2.629 5.386 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -8.269 -3.578 6.738 1.00 0.00 C ATOM 0 H LEU B 15 -7.170 0.724 8.525 1.00 0.00 H new ATOM 0 HA LEU B 15 -9.192 -1.241 9.233 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.811 -0.516 6.903 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.192 -0.919 6.368 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.143 -2.931 7.510 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.450 -3.643 5.156 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.987 -1.965 5.407 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.424 -2.291 4.621 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.625 -4.580 6.499 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.541 -3.264 5.990 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -7.799 -3.585 7.722 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.272 -2.577 9.865 1.00 0.00 N ATOM 1122 CA GLU B 16 -6.174 -3.454 10.262 1.00 0.00 C ATOM 1123 C GLU B 16 -6.044 -4.652 9.320 1.00 0.00 C ATOM 1124 O GLU B 16 -7.042 -5.253 8.921 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.394 -3.938 11.695 1.00 0.00 C ATOM 1126 CG GLU B 16 -5.316 -4.885 12.197 1.00 0.00 C ATOM 1127 CD GLU B 16 -5.615 -5.423 13.583 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -6.655 -6.094 13.746 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -4.810 -5.173 14.504 1.00 0.00 O ATOM 0 H GLU B 16 -8.080 -2.614 10.486 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.247 -2.883 10.205 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -6.441 -3.073 12.357 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -7.360 -4.439 11.755 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -5.216 -5.718 11.501 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -4.358 -4.365 12.211 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.802 -4.998 8.983 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.519 -6.128 8.096 1.00 0.00 C ATOM 1138 C VAL B 17 -3.093 -6.625 8.277 1.00 0.00 C ATOM 1139 O VAL B 17 -2.153 -5.836 8.330 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.713 -5.761 6.615 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.158 -5.919 6.196 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.242 -4.344 6.363 1.00 0.00 C ATOM 0 H VAL B 17 -3.970 -4.509 9.313 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.227 -6.911 8.369 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.114 -6.446 6.015 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.263 -5.652 5.144 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.468 -6.954 6.341 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.786 -5.265 6.801 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.384 -4.095 5.311 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.817 -3.654 6.980 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.185 -4.262 6.616 1.00 0.00 H new ATOM 1152 N GLU B 18 -2.940 -7.938 8.362 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.626 -8.542 8.530 1.00 0.00 C ATOM 1154 C GLU B 18 -0.763 -8.324 7.289 1.00 0.00 C ATOM 1155 O GLU B 18 -1.238 -8.457 6.162 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.768 -10.037 8.812 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.649 -10.347 10.013 1.00 0.00 C ATOM 1158 CD GLU B 18 -2.078 -9.819 11.315 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -1.923 -8.585 11.441 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -1.787 -10.638 12.211 1.00 0.00 O ATOM 0 H GLU B 18 -3.709 -8.606 8.317 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.136 -8.062 9.377 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.183 -10.527 7.931 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.778 -10.463 8.978 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -3.637 -9.915 9.854 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -2.782 -11.426 10.091 1.00 0.00 H new ATOM 1167 N PRO B 19 0.524 -7.988 7.484 1.00 0.00 N ATOM 1168 CA PRO B 19 1.461 -7.756 6.381 1.00 0.00 C ATOM 1169 C PRO B 19 1.487 -8.918 5.399 1.00 0.00 C ATOM 1170 O PRO B 19 1.603 -8.726 4.188 1.00 0.00 O ATOM 1171 CB PRO B 19 2.826 -7.632 7.073 1.00 0.00 C ATOM 1172 CG PRO B 19 2.612 -8.081 8.481 1.00 0.00 C ATOM 1173 CD PRO B 19 1.170 -7.814 8.791 1.00 0.00 C ATOM 0 HA PRO B 19 1.182 -6.878 5.799 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.574 -8.249 6.575 1.00 0.00 H new ATOM 0 HB3 PRO B 19 3.188 -6.604 7.041 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.844 -9.140 8.591 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.264 -7.539 9.166 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.779 -8.511 9.532 1.00 0.00 H new ATOM 0 HD3 PRO B 19 1.020 -6.810 9.187 1.00 0.00 H new ATOM 1181 N SER B 20 1.389 -10.124 5.937 1.00 0.00 N ATOM 1182 CA SER B 20 1.408 -11.334 5.131 1.00 0.00 C ATOM 1183 C SER B 20 0.203 -11.397 4.197 1.00 0.00 C ATOM 1184 O SER B 20 0.284 -11.959 3.105 1.00 0.00 O ATOM 1185 CB SER B 20 1.438 -12.559 6.040 1.00 0.00 C ATOM 1186 OG SER B 20 1.471 -13.758 5.287 1.00 0.00 O ATOM 0 H SER B 20 1.295 -10.291 6.939 1.00 0.00 H new ATOM 0 HA SER B 20 2.306 -11.320 4.514 1.00 0.00 H new ATOM 0 HB2 SER B 20 2.312 -12.511 6.690 1.00 0.00 H new ATOM 0 HB3 SER B 20 0.560 -12.557 6.686 1.00 0.00 H new ATOM 0 HG SER B 20 1.491 -14.526 5.895 1.00 0.00 H new ATOM 1192 N ASP B 21 -0.915 -10.819 4.630 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.131 -10.815 3.823 1.00 0.00 C ATOM 1194 C ASP B 21 -1.867 -10.212 2.445 1.00 0.00 C ATOM 1195 O ASP B 21 -1.222 -9.170 2.327 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.244 -10.038 4.530 1.00 0.00 C ATOM 1197 CG ASP B 21 -3.633 -10.657 5.859 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -3.003 -11.660 6.256 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -4.567 -10.138 6.504 1.00 0.00 O ATOM 0 H ASP B 21 -1.003 -10.350 5.531 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.451 -11.849 3.694 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -2.918 -9.011 4.693 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.120 -9.995 3.883 1.00 0.00 H new ATOM 1204 N THR B 22 -2.364 -10.880 1.410 1.00 0.00 N ATOM 1205 CA THR B 22 -2.179 -10.421 0.037 1.00 0.00 C ATOM 1206 C THR B 22 -2.802 -9.049 -0.186 1.00 0.00 C ATOM 1207 O THR B 22 -3.835 -8.721 0.398 1.00 0.00 O ATOM 1208 CB THR B 22 -2.790 -11.406 -0.977 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.196 -11.537 -0.748 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.127 -12.768 -0.876 1.00 0.00 C ATOM 0 H THR B 22 -2.900 -11.744 1.496 1.00 0.00 H new ATOM 0 HA THR B 22 -1.102 -10.359 -0.120 1.00 0.00 H new ATOM 0 HB THR B 22 -2.621 -11.011 -1.979 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.576 -12.164 -1.398 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.576 -13.446 -1.602 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.061 -12.670 -1.082 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.267 -13.167 0.128 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.169 -8.259 -1.048 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.662 -6.926 -1.370 1.00 0.00 C ATOM 1220 C ILE B 23 -4.084 -7.010 -1.917 1.00 0.00 C ATOM 1221 O ILE B 23 -4.891 -6.099 -1.741 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.758 -6.224 -2.403 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.317 -6.156 -1.886 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.284 -4.829 -2.710 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.654 -5.532 -2.866 1.00 0.00 C ATOM 0 H ILE B 23 -1.312 -8.520 -1.536 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.654 -6.340 -0.451 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.768 -6.803 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.300 -5.584 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.021 -7.164 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.634 -4.348 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.294 -4.902 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.302 -4.237 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.653 -5.519 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.668 -6.116 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.341 -4.512 -3.088 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.379 -8.122 -2.577 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.694 -8.357 -3.146 1.00 0.00 C ATOM 1239 C GLU B 24 -6.748 -8.485 -2.048 1.00 0.00 C ATOM 1240 O GLU B 24 -7.883 -8.034 -2.211 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.658 -9.618 -4.010 1.00 0.00 C ATOM 1242 CG GLU B 24 -7.030 -10.130 -4.396 1.00 0.00 C ATOM 1243 CD GLU B 24 -6.970 -11.335 -5.315 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.398 -11.213 -6.418 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -7.495 -12.401 -4.929 1.00 0.00 O ATOM 0 H GLU B 24 -3.716 -8.881 -2.731 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.967 -7.505 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -5.089 -9.411 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.126 -10.402 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -7.581 -10.394 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -7.586 -9.331 -4.887 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.368 -9.101 -0.932 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.284 -9.287 0.190 1.00 0.00 C ATOM 1254 C ASN B 25 -7.547 -7.971 0.913 1.00 0.00 C ATOM 1255 O ASN B 25 -8.695 -7.635 1.205 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.728 -10.319 1.174 1.00 0.00 C ATOM 1257 CG ASN B 25 -6.643 -11.716 0.583 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -6.210 -12.656 1.250 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.057 -11.864 -0.673 1.00 0.00 N ATOM 0 H ASN B 25 -5.433 -9.480 -0.780 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.229 -9.652 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.735 -10.006 1.498 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.360 -10.344 2.062 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.022 -12.782 -1.117 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.409 -11.060 -1.192 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.481 -7.230 1.204 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.610 -5.955 1.898 1.00 0.00 C ATOM 1268 C VAL B 26 -7.512 -5.000 1.121 1.00 0.00 C ATOM 1269 O VAL B 26 -8.346 -4.308 1.705 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.238 -5.296 2.142 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.355 -6.202 2.986 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.554 -4.946 0.832 1.00 0.00 C ATOM 0 H VAL B 26 -5.523 -7.490 0.971 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.064 -6.164 2.867 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.403 -4.367 2.688 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.390 -5.721 3.149 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.835 -6.386 3.947 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.205 -7.149 2.468 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.589 -4.483 1.038 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.404 -5.853 0.246 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.178 -4.251 0.270 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.351 -4.977 -0.200 1.00 0.00 N ATOM 1283 CA LYS B 27 -8.165 -4.118 -1.054 1.00 0.00 C ATOM 1284 C LYS B 27 -9.621 -4.568 -1.036 1.00 0.00 C ATOM 1285 O LYS B 27 -10.537 -3.746 -1.017 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.641 -4.128 -2.491 1.00 0.00 C ATOM 1287 CG LYS B 27 -6.290 -3.454 -2.663 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.860 -3.449 -4.122 1.00 0.00 C ATOM 1289 CE LYS B 27 -4.566 -2.678 -4.324 1.00 0.00 C ATOM 1290 NZ LYS B 27 -4.694 -1.255 -3.905 1.00 0.00 N ATOM 0 H LYS B 27 -6.666 -5.542 -0.701 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.102 -3.102 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.566 -5.161 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.367 -3.632 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.342 -2.430 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.543 -3.973 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -5.730 -4.475 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -6.647 -3.005 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -3.768 -3.153 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -4.278 -2.722 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -4.058 -0.666 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.675 -0.940 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.438 -1.164 -2.901 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.823 -5.884 -1.049 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.163 -6.456 -1.040 1.00 0.00 C ATOM 1306 C ALA B 28 -11.991 -5.908 0.118 1.00 0.00 C ATOM 1307 O ALA B 28 -13.167 -5.584 -0.045 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.087 -7.974 -0.964 1.00 0.00 C ATOM 0 H ALA B 28 -9.072 -6.574 -1.066 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.657 -6.172 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.095 -8.389 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.543 -8.355 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.569 -8.267 -0.051 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.365 -5.801 1.286 1.00 0.00 N ATOM 1315 CA LYS B 29 -12.040 -5.286 2.471 1.00 0.00 C ATOM 1316 C LYS B 29 -12.430 -3.834 2.258 1.00 0.00 C ATOM 1317 O LYS B 29 -13.538 -3.420 2.597 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.126 -5.400 3.691 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.400 -6.730 3.780 1.00 0.00 C ATOM 1320 CD LYS B 29 -9.506 -6.797 5.007 1.00 0.00 C ATOM 1321 CE LYS B 29 -8.785 -8.132 5.099 1.00 0.00 C ATOM 1322 NZ LYS B 29 -9.738 -9.273 5.190 1.00 0.00 N ATOM 0 H LYS B 29 -10.391 -6.064 1.437 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.939 -5.877 2.644 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.392 -4.595 3.662 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.719 -5.257 4.594 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.128 -7.541 3.814 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.799 -6.878 2.883 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.775 -5.989 4.970 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.106 -6.644 5.904 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.147 -8.261 4.225 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.133 -8.133 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.230 -10.125 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.487 -9.046 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.162 -9.446 4.256 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.512 -3.069 1.677 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.757 -1.665 1.399 1.00 0.00 C ATOM 1338 C ILE B 30 -13.024 -1.516 0.565 1.00 0.00 C ATOM 1339 O ILE B 30 -13.797 -0.578 0.752 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.570 -1.022 0.661 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.293 -1.161 1.494 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.860 0.444 0.367 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.061 -0.601 0.815 1.00 0.00 C ATOM 0 H ILE B 30 -10.591 -3.401 1.390 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.881 -1.150 2.352 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.424 -1.540 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.434 -0.653 2.448 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.127 -2.215 1.716 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.011 0.885 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.750 0.521 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.027 0.977 1.303 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.195 -0.735 1.464 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.894 -1.126 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.206 0.461 0.617 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.244 -2.473 -0.335 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.434 -2.470 -1.170 1.00 0.00 C ATOM 1357 C GLN B 31 -15.656 -2.588 -0.278 1.00 0.00 C ATOM 1358 O GLN B 31 -16.657 -1.899 -0.469 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.402 -3.635 -2.160 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.181 -3.644 -3.063 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.187 -4.806 -4.037 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -14.106 -4.952 -4.842 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -12.158 -5.643 -3.966 1.00 0.00 N ATOM 0 H GLN B 31 -12.613 -3.257 -0.501 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.472 -1.541 -1.738 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.437 -4.572 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.299 -3.598 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.138 -2.708 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.281 -3.692 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -11.417 -5.484 -3.283 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -12.108 -6.445 -4.595 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.550 -3.461 0.718 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.626 -3.665 1.670 1.00 0.00 C ATOM 1374 C ASP B 32 -16.872 -2.374 2.440 1.00 0.00 C ATOM 1375 O ASP B 32 -18.008 -2.042 2.781 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.281 -4.804 2.634 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.409 -5.112 3.600 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -17.774 -4.219 4.393 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -17.928 -6.247 3.562 1.00 0.00 O ATOM 0 H ASP B 32 -14.726 -4.038 0.884 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.533 -3.940 1.131 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.043 -5.700 2.061 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.387 -4.539 3.198 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.786 -1.650 2.699 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.849 -0.385 3.418 1.00 0.00 C ATOM 1386 C LYS B 33 -16.712 0.634 2.684 1.00 0.00 C ATOM 1387 O LYS B 33 -17.436 1.408 3.310 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.442 0.181 3.626 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.807 -0.213 4.949 1.00 0.00 C ATOM 1390 CD LYS B 33 -14.632 0.276 6.129 1.00 0.00 C ATOM 1391 CE LYS B 33 -13.906 0.067 7.447 1.00 0.00 C ATOM 1392 NZ LYS B 33 -12.611 0.799 7.489 1.00 0.00 N ATOM 0 H LYS B 33 -14.844 -1.923 2.418 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.306 -0.581 4.388 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.801 -0.158 2.812 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -14.486 1.268 3.565 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.707 -1.297 4.998 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -12.801 0.203 5.009 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -14.857 1.335 6.002 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -15.585 -0.252 6.151 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -14.540 0.403 8.268 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -13.726 -0.997 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -12.262 0.830 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -11.916 0.310 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -12.749 1.769 7.139 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.628 0.638 1.358 1.00 0.00 N ATOM 1407 CA GLU B 34 -17.402 1.578 0.555 1.00 0.00 C ATOM 1408 C GLU B 34 -17.920 0.921 -0.722 1.00 0.00 C ATOM 1409 O GLU B 34 -19.130 0.843 -0.942 1.00 0.00 O ATOM 1410 CB GLU B 34 -16.542 2.794 0.197 1.00 0.00 C ATOM 1411 CG GLU B 34 -16.011 3.548 1.408 1.00 0.00 C ATOM 1412 CD GLU B 34 -17.109 4.178 2.243 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -18.292 4.063 1.859 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -16.785 4.792 3.282 1.00 0.00 O ATOM 0 H GLU B 34 -16.036 0.006 0.819 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.259 1.898 1.147 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.700 2.465 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.131 3.477 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.436 2.864 2.031 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -15.326 4.326 1.072 1.00 0.00 H new ATOM 1421 N GLY B 35 -17.002 0.450 -1.558 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.390 -0.194 -2.800 1.00 0.00 C ATOM 1423 C GLY B 35 -16.551 0.269 -3.975 1.00 0.00 C ATOM 1424 O GLY B 35 -17.079 0.569 -5.045 1.00 0.00 O ATOM 0 H GLY B 35 -15.996 0.502 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.295 -1.274 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.441 0.015 -3.002 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.241 0.334 -3.768 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.323 0.771 -4.810 1.00 0.00 C ATOM 1430 C ILE B 36 -13.433 -0.370 -5.286 1.00 0.00 C ATOM 1431 O ILE B 36 -12.820 -1.064 -4.477 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.414 1.923 -4.331 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.718 2.302 -2.878 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.563 3.126 -5.240 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.234 1.286 -1.866 1.00 0.00 C ATOM 0 H ILE B 36 -14.791 0.089 -2.886 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.948 1.120 -5.632 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.381 1.579 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.257 3.266 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.794 2.430 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.916 3.930 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.281 2.851 -6.256 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.599 3.464 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.486 1.625 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.714 0.326 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.153 1.174 -1.951 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.335 -0.571 -6.611 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.498 -1.628 -7.186 1.00 0.00 C ATOM 1449 C PRO B 37 -11.069 -1.574 -6.648 1.00 0.00 C ATOM 1450 O PRO B 37 -10.502 -0.493 -6.484 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.516 -1.320 -8.685 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.792 -0.585 -8.903 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.022 0.217 -7.651 1.00 0.00 C ATOM 0 HA PRO B 37 -12.865 -2.625 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.656 -0.716 -8.976 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.479 -2.234 -9.278 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.725 0.064 -9.776 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.616 -1.276 -9.082 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.606 1.221 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.084 0.329 -7.435 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.467 -2.740 -6.362 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.100 -2.819 -5.837 1.00 0.00 C ATOM 1463 C PRO B 38 -8.087 -2.142 -6.754 1.00 0.00 C ATOM 1464 O PRO B 38 -7.086 -1.593 -6.293 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.822 -4.326 -5.752 1.00 0.00 C ATOM 1466 CG PRO B 38 -9.865 -4.970 -6.601 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.066 -4.074 -6.528 1.00 0.00 C ATOM 0 HA PRO B 38 -9.008 -2.306 -4.880 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.821 -4.562 -6.113 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.881 -4.679 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.520 -5.077 -7.629 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.101 -5.970 -6.238 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.672 -4.136 -7.432 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.714 -4.334 -5.691 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.354 -2.189 -8.053 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.469 -1.589 -9.042 1.00 0.00 C ATOM 1477 C ASP B 39 -7.403 -0.074 -8.881 1.00 0.00 C ATOM 1478 O ASP B 39 -6.356 0.534 -9.100 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.940 -1.940 -10.454 1.00 0.00 C ATOM 1480 CG ASP B 39 -7.051 -1.340 -11.526 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -5.844 -1.659 -11.545 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -7.563 -0.550 -12.347 1.00 0.00 O ATOM 0 H ASP B 39 -9.180 -2.639 -8.447 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.469 -1.993 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.961 -3.024 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -8.961 -1.585 -10.592 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.528 0.536 -8.515 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.584 1.980 -8.348 1.00 0.00 C ATOM 1489 C GLN B 40 -7.675 2.453 -7.217 1.00 0.00 C ATOM 1490 O GLN B 40 -6.980 3.459 -7.354 1.00 0.00 O ATOM 1491 CB GLN B 40 -10.024 2.432 -8.108 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.945 2.132 -9.282 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.357 2.654 -9.086 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -13.213 2.488 -9.954 1.00 0.00 O ATOM 1495 NE2 GLN B 40 -12.610 3.285 -7.947 1.00 0.00 N ATOM 0 H GLN B 40 -9.407 0.053 -8.330 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.221 2.435 -9.270 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.410 1.939 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -10.034 3.504 -7.910 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.525 2.572 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.982 1.054 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.871 3.401 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.543 3.654 -7.765 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.676 1.726 -6.102 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.841 2.088 -4.960 1.00 0.00 C ATOM 1506 C GLN B 41 -5.367 2.090 -5.349 1.00 0.00 C ATOM 1507 O GLN B 41 -4.845 1.091 -5.846 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.065 1.120 -3.795 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.401 1.290 -3.085 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.594 1.000 -3.974 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.878 1.737 -4.917 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.299 -0.084 -3.676 1.00 0.00 N ATOM 0 H GLN B 41 -8.242 0.888 -5.965 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.125 3.092 -4.644 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.993 0.098 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.262 1.252 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.432 0.627 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.477 2.310 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.028 -0.667 -2.884 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -11.112 -0.334 -4.239 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.699 3.217 -5.121 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.289 3.342 -5.447 1.00 0.00 C ATOM 1523 C ARG B 42 -2.418 2.964 -4.259 1.00 0.00 C ATOM 1524 O ARG B 42 -2.588 3.491 -3.162 1.00 0.00 O ATOM 1525 CB ARG B 42 -2.964 4.761 -5.908 1.00 0.00 C ATOM 1526 CG ARG B 42 -3.659 5.146 -7.203 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.289 6.553 -7.642 1.00 0.00 C ATOM 1528 NE ARG B 42 -3.949 6.928 -8.891 1.00 0.00 N ATOM 1529 CZ ARG B 42 -3.747 6.308 -10.052 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -2.890 5.298 -10.130 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -4.399 6.703 -11.136 1.00 0.00 N ATOM 0 H ARG B 42 -5.114 4.054 -4.712 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.074 2.652 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.251 5.464 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -1.886 4.855 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.389 4.437 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.739 5.078 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.564 7.261 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.208 6.621 -7.768 1.00 0.00 H new ATOM 0 HE ARG B 42 -4.603 7.711 -8.872 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.383 4.994 -9.299 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -2.738 4.826 -11.021 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.055 7.482 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -4.244 6.228 -12.025 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.490 2.045 -4.486 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.598 1.588 -3.431 1.00 0.00 C ATOM 1547 C LEU B 43 0.548 2.577 -3.218 1.00 0.00 C ATOM 1548 O LEU B 43 1.211 2.987 -4.172 1.00 0.00 O ATOM 1549 CB LEU B 43 -0.056 0.202 -3.781 1.00 0.00 C ATOM 1550 CG LEU B 43 0.292 -0.678 -2.583 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -0.897 -0.774 -1.639 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.718 -2.061 -3.046 1.00 0.00 C ATOM 0 H LEU B 43 -1.336 1.602 -5.391 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.160 1.526 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.795 -0.317 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.836 0.322 -4.395 1.00 0.00 H new ATOM 0 HG LEU B 43 1.126 -0.224 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.636 -1.404 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.162 0.222 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.746 -1.209 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.963 -2.675 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -0.096 -2.525 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.594 -1.976 -3.689 1.00 0.00 H new ATOM 1564 N ILE B 44 0.770 2.961 -1.961 1.00 0.00 N ATOM 1565 CA ILE B 44 1.830 3.908 -1.624 1.00 0.00 C ATOM 1566 C ILE B 44 2.485 3.559 -0.290 1.00 0.00 C ATOM 1567 O ILE B 44 1.804 3.224 0.679 1.00 0.00 O ATOM 1568 CB ILE B 44 1.290 5.351 -1.557 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.715 5.761 -2.913 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.390 6.313 -1.127 1.00 0.00 C ATOM 1571 CD1 ILE B 44 0.128 7.154 -2.927 1.00 0.00 C ATOM 0 H ILE B 44 0.230 2.631 -1.161 1.00 0.00 H new ATOM 0 HA ILE B 44 2.576 3.840 -2.416 1.00 0.00 H new ATOM 0 HB ILE B 44 0.493 5.392 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.502 5.700 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.057 5.048 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.991 7.327 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.759 6.027 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.208 6.275 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.260 7.375 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -0.681 7.215 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.902 7.878 -2.671 1.00 0.00 H new ATOM 1583 N PHE B 45 3.814 3.643 -0.249 1.00 0.00 N ATOM 1584 CA PHE B 45 4.572 3.341 0.964 1.00 0.00 C ATOM 1585 C PHE B 45 5.399 4.551 1.392 1.00 0.00 C ATOM 1586 O PHE B 45 5.877 5.313 0.550 1.00 0.00 O ATOM 1587 CB PHE B 45 5.506 2.145 0.741 1.00 0.00 C ATOM 1588 CG PHE B 45 4.820 0.877 0.307 1.00 0.00 C ATOM 1589 CD1 PHE B 45 4.047 0.841 -0.845 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.958 -0.284 1.050 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.428 -0.327 -1.244 1.00 0.00 C ATOM 1592 CE2 PHE B 45 4.339 -1.455 0.655 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.572 -1.476 -0.494 1.00 0.00 C ATOM 0 H PHE B 45 4.389 3.919 -1.045 1.00 0.00 H new ATOM 0 HA PHE B 45 3.858 3.093 1.749 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.246 2.416 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE B 45 6.049 1.949 1.666 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.928 1.737 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.557 -0.274 1.949 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.831 -0.341 -2.144 1.00 0.00 H new ATOM 0 HE2 PHE B 45 4.455 -2.353 1.244 1.00 0.00 H new ATOM 0 HZ PHE B 45 3.086 -2.389 -0.804 1.00 0.00 H new ATOM 1603 N ALA B 46 5.574 4.724 2.701 1.00 0.00 N ATOM 1604 CA ALA B 46 6.355 5.847 3.218 1.00 0.00 C ATOM 1605 C ALA B 46 6.941 5.531 4.590 1.00 0.00 C ATOM 1606 O ALA B 46 6.216 5.191 5.524 1.00 0.00 O ATOM 1607 CB ALA B 46 5.495 7.100 3.288 1.00 0.00 C ATOM 0 H ALA B 46 5.190 4.108 3.417 1.00 0.00 H new ATOM 0 HA ALA B 46 7.184 6.023 2.532 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.089 7.928 3.675 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.132 7.348 2.291 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.647 6.923 3.949 1.00 0.00 H new ATOM 1613 N GLY B 47 8.262 5.647 4.701 1.00 0.00 N ATOM 1614 CA GLY B 47 8.932 5.370 5.960 1.00 0.00 C ATOM 1615 C GLY B 47 8.688 6.440 7.006 1.00 0.00 C ATOM 1616 O GLY B 47 7.572 6.939 7.148 1.00 0.00 O ATOM 0 H GLY B 47 8.881 5.928 3.940 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.590 4.409 6.344 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.004 5.279 5.783 1.00 0.00 H new