USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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 159:sc= -1.65 (180deg=-2.9) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.168 (180deg=-0.0182) USER MOD Single : A 2 GLN : amide:sc= -1.27 K(o=-1.3,f=-6.6!) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= 0.0101 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 150:sc= 0.773 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 14 THR OG1 : rot 3:sc= 0.855 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.59! C(o=-3.6!,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.0988 (180deg=-0.221!) USER MOD Single : A 49 GLN : amide:sc= 0.598 K(o=0.6,f=-7.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.99 K(o=-0.99,f=0.037!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= -0.529 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.234 8.241 3.922 1.00 0.00 N ATOM 2 CA MET A 1 -13.893 7.387 2.753 1.00 0.00 C ATOM 3 C MET A 1 -14.431 5.967 2.932 1.00 0.00 C ATOM 4 O MET A 1 -15.097 5.670 3.924 1.00 0.00 O ATOM 5 CB MET A 1 -12.372 7.367 2.595 1.00 0.00 C ATOM 6 CG MET A 1 -11.645 6.725 3.765 1.00 0.00 C ATOM 7 SD MET A 1 -10.829 7.932 4.828 1.00 0.00 S ATOM 8 CE MET A 1 -9.511 6.935 5.518 1.00 0.00 C ATOM 0 H1 MET A 1 -14.708 9.106 3.593 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.869 7.719 4.560 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.364 8.495 4.432 1.00 0.00 H new ATOM 0 HA MET A 1 -14.356 7.799 1.857 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.117 6.830 1.681 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.015 8.390 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.356 6.149 4.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.903 6.022 3.385 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.716 7.585 5.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.900 6.338 6.343 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.113 6.274 4.748 1.00 0.00 H new ATOM 20 N GLN A 2 -14.146 5.093 1.966 1.00 0.00 N ATOM 21 CA GLN A 2 -14.614 3.710 2.029 1.00 0.00 C ATOM 22 C GLN A 2 -13.559 2.772 2.628 1.00 0.00 C ATOM 23 O GLN A 2 -13.786 1.565 2.721 1.00 0.00 O ATOM 24 CB GLN A 2 -15.007 3.220 0.633 1.00 0.00 C ATOM 25 CG GLN A 2 -15.788 4.243 -0.176 1.00 0.00 C ATOM 26 CD GLN A 2 -17.111 4.614 0.472 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.189 4.781 1.690 1.00 0.00 O ATOM 28 NE2 GLN A 2 -18.161 4.746 -0.337 1.00 0.00 N ATOM 0 H GLN A 2 -13.597 5.317 1.136 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.485 3.693 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.104 2.949 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.605 2.314 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.183 5.142 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.975 3.846 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.053 4.599 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.073 4.994 0.047 1.00 0.00 H new ATOM 37 N ILE A 3 -12.409 3.316 3.035 1.00 0.00 N ATOM 38 CA ILE A 3 -11.350 2.499 3.616 1.00 0.00 C ATOM 39 C ILE A 3 -10.706 3.201 4.812 1.00 0.00 C ATOM 40 O ILE A 3 -10.735 4.427 4.907 1.00 0.00 O ATOM 41 CB ILE A 3 -10.262 2.166 2.573 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.301 1.110 3.120 1.00 0.00 C ATOM 43 CG2 ILE A 3 -9.504 3.423 2.167 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.540 0.368 2.043 1.00 0.00 C ATOM 0 H ILE A 3 -12.192 4.311 2.972 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.812 1.571 3.953 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.749 1.761 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.589 1.591 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.864 0.392 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.742 3.167 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.199 4.143 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.028 3.861 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.878 -0.365 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.244 -0.142 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.949 1.076 1.462 1.00 0.00 H new ATOM 56 N PHE A 4 -10.125 2.421 5.723 1.00 0.00 N ATOM 57 CA PHE A 4 -9.480 2.984 6.903 1.00 0.00 C ATOM 58 C PHE A 4 -7.993 2.633 6.927 1.00 0.00 C ATOM 59 O PHE A 4 -7.580 1.690 7.603 1.00 0.00 O ATOM 60 CB PHE A 4 -10.164 2.474 8.175 1.00 0.00 C ATOM 61 CG PHE A 4 -10.761 3.567 9.014 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.803 4.342 8.528 1.00 0.00 C ATOM 63 CD2 PHE A 4 -10.282 3.820 10.289 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.354 5.349 9.298 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.828 4.826 11.064 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.866 5.590 10.568 1.00 0.00 C ATOM 0 H PHE A 4 -10.089 1.403 5.665 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.576 4.069 6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.948 1.770 7.899 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.438 1.924 8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -12.189 4.157 7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.472 3.224 10.682 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.165 5.946 8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.444 5.014 12.056 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.296 6.375 11.172 1.00 0.00 H new ATOM 76 N VAL A 5 -7.192 3.396 6.184 1.00 0.00 N ATOM 77 CA VAL A 5 -5.754 3.159 6.126 1.00 0.00 C ATOM 78 C VAL A 5 -4.989 4.261 6.854 1.00 0.00 C ATOM 79 O VAL A 5 -5.471 5.388 6.967 1.00 0.00 O ATOM 80 CB VAL A 5 -5.255 3.075 4.671 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.815 2.589 4.627 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.157 2.170 3.847 1.00 0.00 C ATOM 0 H VAL A 5 -7.515 4.180 5.617 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.569 2.204 6.618 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.290 4.074 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.480 2.536 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.180 3.282 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.751 1.600 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.788 2.124 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.159 1.169 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.172 2.568 3.849 1.00 0.00 H new ATOM 92 N LYS A 6 -3.797 3.933 7.347 1.00 0.00 N ATOM 93 CA LYS A 6 -2.978 4.903 8.061 1.00 0.00 C ATOM 94 C LYS A 6 -1.790 5.348 7.212 1.00 0.00 C ATOM 95 O LYS A 6 -1.155 4.532 6.543 1.00 0.00 O ATOM 96 CB LYS A 6 -2.482 4.308 9.381 1.00 0.00 C ATOM 97 CG LYS A 6 -3.415 4.563 10.552 1.00 0.00 C ATOM 98 CD LYS A 6 -4.508 3.509 10.634 1.00 0.00 C ATOM 99 CE LYS A 6 -5.809 4.008 10.024 1.00 0.00 C ATOM 100 NZ LYS A 6 -6.740 4.537 11.058 1.00 0.00 N ATOM 0 H LYS A 6 -3.380 3.006 7.264 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.596 5.776 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.352 3.233 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.501 4.724 9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.843 4.568 11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.867 5.550 10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.184 2.606 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.674 3.236 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.592 4.790 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.292 3.194 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.713 4.517 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.680 3.948 11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.478 5.516 11.293 1.00 0.00 H new ATOM 114 N THR A 7 -1.490 6.645 7.245 1.00 0.00 N ATOM 115 CA THR A 7 -0.375 7.193 6.480 1.00 0.00 C ATOM 116 C THR A 7 0.842 7.389 7.386 1.00 0.00 C ATOM 117 O THR A 7 0.866 6.883 8.508 1.00 0.00 O ATOM 118 CB THR A 7 -0.781 8.518 5.827 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.718 9.580 6.764 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.181 8.494 5.250 1.00 0.00 C ATOM 0 H THR A 7 -2.004 7.335 7.793 1.00 0.00 H new ATOM 0 HA THR A 7 -0.108 6.488 5.692 1.00 0.00 H new ATOM 0 HB THR A 7 -0.072 8.670 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.502 10.415 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.407 9.462 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.247 7.718 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.898 8.285 6.044 1.00 0.00 H new ATOM 128 N LEU A 8 1.852 8.114 6.906 1.00 0.00 N ATOM 129 CA LEU A 8 3.053 8.345 7.707 1.00 0.00 C ATOM 130 C LEU A 8 2.712 9.078 9.006 1.00 0.00 C ATOM 131 O LEU A 8 3.315 8.817 10.047 1.00 0.00 O ATOM 132 CB LEU A 8 4.106 9.126 6.911 1.00 0.00 C ATOM 133 CG LEU A 8 3.622 10.440 6.289 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.626 11.554 6.541 1.00 0.00 C ATOM 135 CD2 LEU A 8 3.383 10.266 4.795 1.00 0.00 C ATOM 0 H LEU A 8 1.864 8.545 5.982 1.00 0.00 H new ATOM 0 HA LEU A 8 3.472 7.372 7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.946 9.344 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.484 8.485 6.115 1.00 0.00 H new ATOM 0 HG LEU A 8 2.679 10.716 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.264 12.479 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.750 11.697 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.585 11.286 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.040 11.209 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.312 9.966 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.626 9.498 4.635 1.00 0.00 H new ATOM 147 N THR A 9 1.736 9.985 8.948 1.00 0.00 N ATOM 148 CA THR A 9 1.319 10.734 10.128 1.00 0.00 C ATOM 149 C THR A 9 -0.087 10.316 10.554 1.00 0.00 C ATOM 150 O THR A 9 -0.274 9.722 11.616 1.00 0.00 O ATOM 151 CB THR A 9 1.364 12.241 9.854 1.00 0.00 C ATOM 152 OG1 THR A 9 2.043 12.518 8.638 1.00 0.00 O ATOM 153 CG2 THR A 9 2.045 13.029 10.955 1.00 0.00 C ATOM 0 H THR A 9 1.222 10.216 8.098 1.00 0.00 H new ATOM 0 HA THR A 9 2.012 10.509 10.939 1.00 0.00 H new ATOM 0 HB THR A 9 0.321 12.553 9.797 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.057 13.486 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.043 14.088 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.509 12.881 11.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.073 12.685 11.066 1.00 0.00 H new ATOM 161 N GLY A 10 -1.074 10.624 9.713 1.00 0.00 N ATOM 162 CA GLY A 10 -2.450 10.266 10.019 1.00 0.00 C ATOM 163 C GLY A 10 -3.451 10.878 9.050 1.00 0.00 C ATOM 164 O GLY A 10 -4.473 11.421 9.470 1.00 0.00 O ATOM 0 H GLY A 10 -0.945 11.114 8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.551 9.181 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.688 10.590 11.032 1.00 0.00 H new ATOM 168 N LYS A 11 -3.162 10.793 7.750 1.00 0.00 N ATOM 169 CA LYS A 11 -4.050 11.345 6.731 1.00 0.00 C ATOM 170 C LYS A 11 -5.151 10.352 6.366 1.00 0.00 C ATOM 171 O LYS A 11 -5.051 9.162 6.669 1.00 0.00 O ATOM 172 CB LYS A 11 -3.257 11.729 5.478 1.00 0.00 C ATOM 173 CG LYS A 11 -3.692 13.051 4.867 1.00 0.00 C ATOM 174 CD LYS A 11 -3.745 12.974 3.349 1.00 0.00 C ATOM 175 CE LYS A 11 -3.649 14.353 2.716 1.00 0.00 C ATOM 176 NZ LYS A 11 -2.286 14.622 2.177 1.00 0.00 N ATOM 0 H LYS A 11 -2.322 10.348 7.381 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.516 12.240 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.198 11.786 5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.365 10.940 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.674 13.325 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.000 13.837 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.929 12.349 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.674 12.495 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.380 14.435 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.903 15.111 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.261 15.572 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.591 14.569 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.053 13.914 1.452 1.00 0.00 H new ATOM 190 N THR A 12 -6.198 10.844 5.705 1.00 0.00 N ATOM 191 CA THR A 12 -7.308 9.994 5.292 1.00 0.00 C ATOM 192 C THR A 12 -7.219 9.687 3.799 1.00 0.00 C ATOM 193 O THR A 12 -7.174 10.599 2.973 1.00 0.00 O ATOM 194 CB THR A 12 -8.642 10.670 5.608 1.00 0.00 C ATOM 195 OG1 THR A 12 -8.545 12.074 5.444 1.00 0.00 O ATOM 196 CG2 THR A 12 -9.129 10.406 7.017 1.00 0.00 C ATOM 0 H THR A 12 -6.299 11.825 5.446 1.00 0.00 H new ATOM 0 HA THR A 12 -7.248 9.057 5.846 1.00 0.00 H new ATOM 0 HB THR A 12 -9.356 10.238 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.409 12.488 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.080 10.915 7.175 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.263 9.334 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.395 10.779 7.731 1.00 0.00 H new ATOM 204 N ILE A 13 -7.190 8.400 3.451 1.00 0.00 N ATOM 205 CA ILE A 13 -7.101 7.994 2.053 1.00 0.00 C ATOM 206 C ILE A 13 -8.362 7.256 1.609 1.00 0.00 C ATOM 207 O ILE A 13 -8.925 6.463 2.363 1.00 0.00 O ATOM 208 CB ILE A 13 -5.873 7.093 1.808 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.728 6.783 0.317 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.984 5.808 2.616 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.338 6.328 -0.073 1.00 0.00 C ATOM 0 H ILE A 13 -7.227 7.627 4.115 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.996 8.906 1.465 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.981 7.626 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.445 6.009 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.985 7.673 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.109 5.185 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.039 6.049 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.883 5.268 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.308 6.126 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.618 7.110 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.085 5.420 0.475 1.00 0.00 H new ATOM 223 N THR A 14 -8.801 7.523 0.379 1.00 0.00 N ATOM 224 CA THR A 14 -9.995 6.881 -0.159 1.00 0.00 C ATOM 225 C THR A 14 -9.621 5.821 -1.194 1.00 0.00 C ATOM 226 O THR A 14 -9.003 6.130 -2.213 1.00 0.00 O ATOM 227 CB THR A 14 -10.919 7.923 -0.791 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.408 8.358 -2.038 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.120 9.147 0.076 1.00 0.00 C ATOM 0 H THR A 14 -8.348 8.177 -0.259 1.00 0.00 H new ATOM 0 HA THR A 14 -10.518 6.393 0.664 1.00 0.00 H new ATOM 0 HB THR A 14 -11.879 7.422 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.592 7.859 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.785 9.846 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.561 8.850 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.158 9.627 0.256 1.00 0.00 H new ATOM 237 N LEU A 15 -9.997 4.572 -0.928 1.00 0.00 N ATOM 238 CA LEU A 15 -9.697 3.475 -1.842 1.00 0.00 C ATOM 239 C LEU A 15 -10.895 2.538 -1.982 1.00 0.00 C ATOM 240 O LEU A 15 -11.638 2.320 -1.024 1.00 0.00 O ATOM 241 CB LEU A 15 -8.478 2.692 -1.349 1.00 0.00 C ATOM 242 CG LEU A 15 -7.229 3.533 -1.083 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.412 2.934 0.052 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.387 3.648 -2.345 1.00 0.00 C ATOM 0 H LEU A 15 -10.508 4.296 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.476 3.901 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.748 2.171 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.233 1.929 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.544 4.533 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.527 3.547 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.016 2.903 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.106 1.922 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.502 4.250 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.082 2.654 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.973 4.123 -3.131 1.00 0.00 H new ATOM 256 N GLU A 16 -11.079 1.984 -3.179 1.00 0.00 N ATOM 257 CA GLU A 16 -12.188 1.071 -3.433 1.00 0.00 C ATOM 258 C GLU A 16 -11.714 -0.380 -3.408 1.00 0.00 C ATOM 259 O GLU A 16 -10.514 -0.649 -3.475 1.00 0.00 O ATOM 260 CB GLU A 16 -12.838 1.386 -4.783 1.00 0.00 C ATOM 261 CG GLU A 16 -14.354 1.269 -4.770 1.00 0.00 C ATOM 262 CD GLU A 16 -14.890 0.500 -5.962 1.00 0.00 C ATOM 263 OE1 GLU A 16 -14.179 -0.399 -6.457 1.00 0.00 O ATOM 264 OE2 GLU A 16 -16.021 0.798 -6.400 1.00 0.00 O ATOM 0 H GLU A 16 -10.476 2.151 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.927 1.207 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.562 2.397 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.436 0.709 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.669 0.774 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.792 2.267 -4.760 1.00 0.00 H new ATOM 271 N VAL A 17 -12.658 -1.314 -3.311 1.00 0.00 N ATOM 272 CA VAL A 17 -12.326 -2.732 -3.278 1.00 0.00 C ATOM 273 C VAL A 17 -13.160 -3.514 -4.291 1.00 0.00 C ATOM 274 O VAL A 17 -14.353 -3.738 -4.083 1.00 0.00 O ATOM 275 CB VAL A 17 -12.547 -3.329 -1.875 1.00 0.00 C ATOM 276 CG1 VAL A 17 -12.037 -4.761 -1.816 1.00 0.00 C ATOM 277 CG2 VAL A 17 -11.868 -2.470 -0.819 1.00 0.00 C ATOM 0 H VAL A 17 -13.656 -1.112 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.271 -2.817 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.617 -3.342 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.202 -5.165 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.572 -5.368 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.971 -4.777 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.034 -2.906 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.798 -2.424 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.285 -1.463 -0.845 1.00 0.00 H new ATOM 287 N GLU A 18 -12.527 -3.927 -5.387 1.00 0.00 N ATOM 288 CA GLU A 18 -13.216 -4.683 -6.426 1.00 0.00 C ATOM 289 C GLU A 18 -12.882 -6.170 -6.327 1.00 0.00 C ATOM 290 O GLU A 18 -11.912 -6.553 -5.673 1.00 0.00 O ATOM 291 CB GLU A 18 -12.831 -4.151 -7.810 1.00 0.00 C ATOM 292 CG GLU A 18 -11.361 -4.339 -8.147 1.00 0.00 C ATOM 293 CD GLU A 18 -10.565 -3.055 -8.016 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.752 -2.151 -8.856 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.754 -2.953 -7.071 1.00 0.00 O ATOM 0 H GLU A 18 -11.540 -3.751 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.290 -4.560 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.435 -4.655 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.074 -3.090 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.935 -5.095 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.271 -4.716 -9.166 1.00 0.00 H new ATOM 302 N PRO A 19 -13.684 -7.032 -6.975 1.00 0.00 N ATOM 303 CA PRO A 19 -13.464 -8.481 -6.951 1.00 0.00 C ATOM 304 C PRO A 19 -12.040 -8.855 -7.357 1.00 0.00 C ATOM 305 O PRO A 19 -11.378 -9.636 -6.675 1.00 0.00 O ATOM 306 CB PRO A 19 -14.470 -9.012 -7.974 1.00 0.00 C ATOM 307 CG PRO A 19 -15.547 -7.985 -8.014 1.00 0.00 C ATOM 308 CD PRO A 19 -14.867 -6.665 -7.779 1.00 0.00 C ATOM 0 HA PRO A 19 -13.595 -8.898 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.009 -9.140 -8.953 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.861 -9.985 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.060 -7.994 -8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.300 -8.178 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.584 -6.186 -8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.514 -5.968 -7.247 1.00 0.00 H new ATOM 316 N SER A 20 -11.571 -8.293 -8.472 1.00 0.00 N ATOM 317 CA SER A 20 -10.222 -8.572 -8.963 1.00 0.00 C ATOM 318 C SER A 20 -9.186 -7.588 -8.402 1.00 0.00 C ATOM 319 O SER A 20 -8.225 -7.244 -9.089 1.00 0.00 O ATOM 320 CB SER A 20 -10.195 -8.532 -10.492 1.00 0.00 C ATOM 321 OG SER A 20 -10.293 -7.201 -10.970 1.00 0.00 O ATOM 0 H SER A 20 -12.104 -7.644 -9.050 1.00 0.00 H new ATOM 0 HA SER A 20 -9.955 -9.570 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.272 -8.985 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.018 -9.126 -10.889 1.00 0.00 H new ATOM 0 HG SER A 20 -10.272 -7.203 -11.950 1.00 0.00 H new ATOM 327 N ASP A 21 -9.371 -7.140 -7.159 1.00 0.00 N ATOM 328 CA ASP A 21 -8.429 -6.204 -6.546 1.00 0.00 C ATOM 329 C ASP A 21 -7.147 -6.922 -6.130 1.00 0.00 C ATOM 330 O ASP A 21 -7.134 -7.670 -5.153 1.00 0.00 O ATOM 331 CB ASP A 21 -9.061 -5.518 -5.332 1.00 0.00 C ATOM 332 CG ASP A 21 -8.355 -4.226 -4.966 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.120 -4.155 -5.142 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.035 -3.288 -4.503 1.00 0.00 O ATOM 0 H ASP A 21 -10.155 -7.407 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.180 -5.445 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.110 -5.309 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.035 -6.197 -4.480 1.00 0.00 H new ATOM 339 N THR A 22 -6.067 -6.691 -6.877 1.00 0.00 N ATOM 340 CA THR A 22 -4.786 -7.322 -6.576 1.00 0.00 C ATOM 341 C THR A 22 -4.010 -6.518 -5.532 1.00 0.00 C ATOM 342 O THR A 22 -4.042 -5.287 -5.538 1.00 0.00 O ATOM 343 CB THR A 22 -3.949 -7.471 -7.848 1.00 0.00 C ATOM 344 OG1 THR A 22 -4.779 -7.739 -8.965 1.00 0.00 O ATOM 345 CG2 THR A 22 -2.922 -8.580 -7.764 1.00 0.00 C ATOM 0 H THR A 22 -6.055 -6.075 -7.690 1.00 0.00 H new ATOM 0 HA THR A 22 -4.989 -8.312 -6.168 1.00 0.00 H new ATOM 0 HB THR A 22 -3.426 -6.522 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.226 -7.829 -9.769 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.364 -8.631 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.235 -8.378 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.426 -9.531 -7.591 1.00 0.00 H new ATOM 353 N ILE A 23 -3.316 -7.220 -4.638 1.00 0.00 N ATOM 354 CA ILE A 23 -2.535 -6.566 -3.590 1.00 0.00 C ATOM 355 C ILE A 23 -1.331 -5.813 -4.165 1.00 0.00 C ATOM 356 O ILE A 23 -0.825 -4.879 -3.542 1.00 0.00 O ATOM 357 CB ILE A 23 -2.039 -7.579 -2.535 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.345 -6.853 -1.381 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.100 -8.595 -3.172 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.253 -5.903 -0.631 1.00 0.00 C ATOM 0 H ILE A 23 -3.279 -8.239 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.204 -5.851 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.901 -8.113 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.949 -7.591 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.494 -6.296 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.760 -9.301 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.627 -9.134 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.240 -8.078 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.694 -5.424 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.629 -5.142 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.091 -6.458 -0.209 1.00 0.00 H new ATOM 372 N GLU A 24 -0.869 -6.218 -5.349 1.00 0.00 N ATOM 373 CA GLU A 24 0.276 -5.567 -5.982 1.00 0.00 C ATOM 374 C GLU A 24 -0.159 -4.349 -6.799 1.00 0.00 C ATOM 375 O GLU A 24 0.570 -3.361 -6.883 1.00 0.00 O ATOM 376 CB GLU A 24 1.024 -6.555 -6.882 1.00 0.00 C ATOM 377 CG GLU A 24 0.196 -7.057 -8.054 1.00 0.00 C ATOM 378 CD GLU A 24 1.038 -7.754 -9.104 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.141 -7.255 -9.409 1.00 0.00 O ATOM 380 OE2 GLU A 24 0.594 -8.800 -9.623 1.00 0.00 O ATOM 0 H GLU A 24 -1.268 -6.989 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 24 0.943 -5.228 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.925 -6.075 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.345 -7.407 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.566 -7.746 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.327 -6.217 -8.511 1.00 0.00 H new ATOM 387 N ASN A 25 -1.346 -4.421 -7.403 1.00 0.00 N ATOM 388 CA ASN A 25 -1.857 -3.315 -8.212 1.00 0.00 C ATOM 389 C ASN A 25 -2.064 -2.059 -7.367 1.00 0.00 C ATOM 390 O ASN A 25 -1.789 -0.949 -7.820 1.00 0.00 O ATOM 391 CB ASN A 25 -3.173 -3.706 -8.890 1.00 0.00 C ATOM 392 CG ASN A 25 -3.289 -3.147 -10.297 1.00 0.00 C ATOM 393 OD1 ASN A 25 -2.291 -3.019 -11.007 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.508 -2.808 -10.710 1.00 0.00 N ATOM 0 H ASN A 25 -1.967 -5.228 -7.348 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.112 -3.096 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.251 -4.793 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.009 -3.347 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.641 -2.426 -11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.309 -2.930 -10.090 1.00 0.00 H new ATOM 401 N VAL A 26 -2.548 -2.236 -6.137 1.00 0.00 N ATOM 402 CA VAL A 26 -2.784 -1.102 -5.245 1.00 0.00 C ATOM 403 C VAL A 26 -1.479 -0.383 -4.897 1.00 0.00 C ATOM 404 O VAL A 26 -1.474 0.829 -4.678 1.00 0.00 O ATOM 405 CB VAL A 26 -3.486 -1.536 -3.941 1.00 0.00 C ATOM 406 CG1 VAL A 26 -2.608 -2.492 -3.148 1.00 0.00 C ATOM 407 CG2 VAL A 26 -3.858 -0.322 -3.104 1.00 0.00 C ATOM 0 H VAL A 26 -2.782 -3.145 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.437 -0.417 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.404 -2.062 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.123 -2.785 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.401 -3.379 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.670 -1.999 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.352 -0.649 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.956 0.235 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.533 0.318 -3.672 1.00 0.00 H new ATOM 417 N LYS A 27 -0.372 -1.126 -4.849 1.00 0.00 N ATOM 418 CA LYS A 27 0.927 -0.535 -4.527 1.00 0.00 C ATOM 419 C LYS A 27 1.255 0.610 -5.484 1.00 0.00 C ATOM 420 O LYS A 27 1.729 1.665 -5.063 1.00 0.00 O ATOM 421 CB LYS A 27 2.032 -1.594 -4.587 1.00 0.00 C ATOM 422 CG LYS A 27 3.383 -1.090 -4.106 1.00 0.00 C ATOM 423 CD LYS A 27 4.474 -2.128 -4.320 1.00 0.00 C ATOM 424 CE LYS A 27 5.452 -2.155 -3.157 1.00 0.00 C ATOM 425 NZ LYS A 27 6.845 -2.427 -3.609 1.00 0.00 N ATOM 0 H LYS A 27 -0.349 -2.130 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 27 0.872 -0.139 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.736 -2.451 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.130 -1.948 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.641 -0.174 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.322 -0.837 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.022 -3.113 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.011 -1.909 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.420 -1.199 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.146 -2.920 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.481 -2.437 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.881 -3.350 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.147 -1.683 -4.271 1.00 0.00 H new ATOM 439 N ALA A 28 0.996 0.399 -6.775 1.00 0.00 N ATOM 440 CA ALA A 28 1.265 1.422 -7.784 1.00 0.00 C ATOM 441 C ALA A 28 0.402 2.664 -7.561 1.00 0.00 C ATOM 442 O ALA A 28 0.818 3.778 -7.879 1.00 0.00 O ATOM 443 CB ALA A 28 1.038 0.865 -9.184 1.00 0.00 C ATOM 0 H ALA A 28 0.602 -0.466 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 28 2.310 1.716 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.243 1.641 -9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.705 0.019 -9.352 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.003 0.536 -9.281 1.00 0.00 H new ATOM 449 N LYS A 29 -0.801 2.473 -7.015 1.00 0.00 N ATOM 450 CA LYS A 29 -1.705 3.591 -6.761 1.00 0.00 C ATOM 451 C LYS A 29 -1.108 4.552 -5.733 1.00 0.00 C ATOM 452 O LYS A 29 -1.232 5.769 -5.868 1.00 0.00 O ATOM 453 CB LYS A 29 -3.066 3.088 -6.271 1.00 0.00 C ATOM 454 CG LYS A 29 -4.052 2.809 -7.395 1.00 0.00 C ATOM 455 CD LYS A 29 -5.066 1.750 -6.994 1.00 0.00 C ATOM 456 CE LYS A 29 -6.254 1.730 -7.943 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.418 2.479 -7.392 1.00 0.00 N ATOM 0 H LYS A 29 -1.168 1.561 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.844 4.125 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.920 2.176 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.496 3.828 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.571 3.729 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.511 2.479 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.588 0.771 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.413 1.942 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.962 2.165 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.546 0.698 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.207 2.442 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.713 2.049 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.148 3.470 -7.230 1.00 0.00 H new ATOM 471 N ILE A 30 -0.455 4.003 -4.708 1.00 0.00 N ATOM 472 CA ILE A 30 0.158 4.828 -3.672 1.00 0.00 C ATOM 473 C ILE A 30 1.292 5.667 -4.256 1.00 0.00 C ATOM 474 O ILE A 30 1.378 6.869 -4.005 1.00 0.00 O ATOM 475 CB ILE A 30 0.707 3.974 -2.507 1.00 0.00 C ATOM 476 CG1 ILE A 30 -0.392 3.070 -1.939 1.00 0.00 C ATOM 477 CG2 ILE A 30 1.279 4.866 -1.412 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.646 3.819 -1.537 1.00 0.00 C ATOM 0 H ILE A 30 -0.339 2.998 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.622 5.482 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 30 1.509 3.344 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.652 2.317 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.002 2.539 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.661 4.247 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.090 5.469 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.496 5.522 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.380 3.115 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.401 4.554 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.061 4.327 -2.407 1.00 0.00 H new ATOM 490 N GLN A 31 2.159 5.029 -5.042 1.00 0.00 N ATOM 491 CA GLN A 31 3.281 5.730 -5.662 1.00 0.00 C ATOM 492 C GLN A 31 2.778 6.767 -6.667 1.00 0.00 C ATOM 493 O GLN A 31 3.281 7.888 -6.717 1.00 0.00 O ATOM 494 CB GLN A 31 4.221 4.739 -6.360 1.00 0.00 C ATOM 495 CG GLN A 31 5.694 5.012 -6.099 1.00 0.00 C ATOM 496 CD GLN A 31 6.456 5.370 -7.363 1.00 0.00 C ATOM 497 OE1 GLN A 31 7.434 4.712 -7.715 1.00 0.00 O ATOM 498 NE2 GLN A 31 6.013 6.418 -8.055 1.00 0.00 N ATOM 0 H GLN A 31 2.106 4.035 -5.263 1.00 0.00 H new ATOM 0 HA GLN A 31 3.835 6.242 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.983 3.729 -6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.038 4.772 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.787 5.827 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.147 4.132 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.198 6.937 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.489 6.702 -8.912 1.00 0.00 H new ATOM 507 N ASP A 32 1.781 6.382 -7.464 1.00 0.00 N ATOM 508 CA ASP A 32 1.210 7.282 -8.467 1.00 0.00 C ATOM 509 C ASP A 32 0.597 8.531 -7.825 1.00 0.00 C ATOM 510 O ASP A 32 0.454 9.560 -8.484 1.00 0.00 O ATOM 511 CB ASP A 32 0.148 6.555 -9.297 1.00 0.00 C ATOM 512 CG ASP A 32 -0.241 7.328 -10.542 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.760 8.456 -10.402 1.00 0.00 O ATOM 514 OD2 ASP A 32 -0.029 6.806 -11.656 1.00 0.00 O ATOM 0 H ASP A 32 1.353 5.457 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 32 2.024 7.600 -9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.525 5.574 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.738 6.389 -8.684 1.00 0.00 H new ATOM 519 N LYS A 33 0.230 8.442 -6.544 1.00 0.00 N ATOM 520 CA LYS A 33 -0.367 9.581 -5.849 1.00 0.00 C ATOM 521 C LYS A 33 0.691 10.627 -5.516 1.00 0.00 C ATOM 522 O LYS A 33 0.474 11.824 -5.706 1.00 0.00 O ATOM 523 CB LYS A 33 -1.067 9.124 -4.565 1.00 0.00 C ATOM 524 CG LYS A 33 -2.180 8.116 -4.802 1.00 0.00 C ATOM 525 CD LYS A 33 -3.514 8.617 -4.270 1.00 0.00 C ATOM 526 CE LYS A 33 -4.391 9.162 -5.386 1.00 0.00 C ATOM 527 NZ LYS A 33 -5.237 10.297 -4.924 1.00 0.00 N ATOM 0 H LYS A 33 0.335 7.603 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.106 10.029 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.328 8.685 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.480 9.995 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.267 7.914 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.926 7.173 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.033 7.804 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.341 9.397 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.763 9.491 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.029 8.365 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.820 10.640 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.855 9.977 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.628 11.068 -4.583 1.00 0.00 H new ATOM 541 N GLU A 34 1.837 10.171 -5.018 1.00 0.00 N ATOM 542 CA GLU A 34 2.924 11.076 -4.660 1.00 0.00 C ATOM 543 C GLU A 34 4.272 10.530 -5.128 1.00 0.00 C ATOM 544 O GLU A 34 5.045 11.238 -5.772 1.00 0.00 O ATOM 545 CB GLU A 34 2.948 11.303 -3.147 1.00 0.00 C ATOM 546 CG GLU A 34 2.314 12.618 -2.719 1.00 0.00 C ATOM 547 CD GLU A 34 1.644 12.529 -1.363 1.00 0.00 C ATOM 548 OE1 GLU A 34 2.209 11.870 -0.464 1.00 0.00 O ATOM 549 OE2 GLU A 34 0.555 13.117 -1.198 1.00 0.00 O ATOM 0 H GLU A 34 2.036 9.184 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 34 2.748 12.028 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.427 10.481 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.981 11.277 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.079 13.394 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.579 12.922 -3.464 1.00 0.00 H new ATOM 556 N GLY A 35 4.553 9.271 -4.796 1.00 0.00 N ATOM 557 CA GLY A 35 5.811 8.667 -5.187 1.00 0.00 C ATOM 558 C GLY A 35 6.654 8.287 -3.986 1.00 0.00 C ATOM 559 O GLY A 35 7.706 8.880 -3.750 1.00 0.00 O ATOM 0 H GLY A 35 3.931 8.662 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.616 7.779 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.367 9.362 -5.816 1.00 0.00 H new ATOM 563 N ILE A 36 6.185 7.303 -3.220 1.00 0.00 N ATOM 564 CA ILE A 36 6.900 6.853 -2.026 1.00 0.00 C ATOM 565 C ILE A 36 8.076 5.942 -2.390 1.00 0.00 C ATOM 566 O ILE A 36 7.880 4.811 -2.837 1.00 0.00 O ATOM 567 CB ILE A 36 5.957 6.102 -1.059 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.688 5.746 0.237 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.394 4.851 -1.719 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.770 5.242 1.330 1.00 0.00 C ATOM 0 H ILE A 36 5.315 6.803 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 36 7.282 7.746 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 36 5.124 6.761 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.438 4.985 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.220 6.626 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.733 4.337 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.833 5.131 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.212 4.187 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.356 5.009 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.035 6.010 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.257 4.343 0.988 1.00 0.00 H new ATOM 582 N PRO A 37 9.322 6.426 -2.206 1.00 0.00 N ATOM 583 CA PRO A 37 10.530 5.648 -2.524 1.00 0.00 C ATOM 584 C PRO A 37 10.635 4.344 -1.728 1.00 0.00 C ATOM 585 O PRO A 37 10.944 3.295 -2.293 1.00 0.00 O ATOM 586 CB PRO A 37 11.681 6.590 -2.149 1.00 0.00 C ATOM 587 CG PRO A 37 11.078 7.952 -2.129 1.00 0.00 C ATOM 588 CD PRO A 37 9.657 7.765 -1.687 1.00 0.00 C ATOM 0 HA PRO A 37 10.532 5.338 -3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.102 6.331 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.492 6.529 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.617 8.608 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.123 8.414 -3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.562 7.813 -0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.002 8.533 -2.098 1.00 0.00 H new ATOM 596 N PRO A 38 10.390 4.388 -0.401 1.00 0.00 N ATOM 597 CA PRO A 38 10.472 3.206 0.463 1.00 0.00 C ATOM 598 C PRO A 38 9.924 1.939 -0.195 1.00 0.00 C ATOM 599 O PRO A 38 8.723 1.673 -0.151 1.00 0.00 O ATOM 600 CB PRO A 38 9.617 3.608 1.658 1.00 0.00 C ATOM 601 CG PRO A 38 9.826 5.079 1.775 1.00 0.00 C ATOM 602 CD PRO A 38 10.024 5.594 0.370 1.00 0.00 C ATOM 0 HA PRO A 38 11.502 2.951 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.567 3.366 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.928 3.088 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.967 5.557 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.694 5.300 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.116 6.056 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.809 6.349 0.328 1.00 0.00 H new ATOM 610 N ASP A 39 10.820 1.156 -0.794 1.00 0.00 N ATOM 611 CA ASP A 39 10.438 -0.091 -1.453 1.00 0.00 C ATOM 612 C ASP A 39 9.985 -1.142 -0.439 1.00 0.00 C ATOM 613 O ASP A 39 9.334 -2.120 -0.807 1.00 0.00 O ATOM 614 CB ASP A 39 11.603 -0.639 -2.283 1.00 0.00 C ATOM 615 CG ASP A 39 12.820 -0.951 -1.434 1.00 0.00 C ATOM 616 OD1 ASP A 39 12.918 -2.091 -0.933 1.00 0.00 O ATOM 617 OD2 ASP A 39 13.675 -0.056 -1.270 1.00 0.00 O ATOM 0 H ASP A 39 11.818 1.364 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 39 9.600 0.130 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.283 -1.543 -2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.874 0.088 -3.049 1.00 0.00 H new ATOM 622 N GLN A 40 10.328 -0.947 0.838 1.00 0.00 N ATOM 623 CA GLN A 40 9.946 -1.896 1.881 1.00 0.00 C ATOM 624 C GLN A 40 8.632 -1.496 2.560 1.00 0.00 C ATOM 625 O GLN A 40 8.431 -1.784 3.740 1.00 0.00 O ATOM 626 CB GLN A 40 11.053 -2.009 2.930 1.00 0.00 C ATOM 627 CG GLN A 40 12.388 -2.464 2.362 1.00 0.00 C ATOM 628 CD GLN A 40 13.370 -2.883 3.441 1.00 0.00 C ATOM 629 OE1 GLN A 40 13.246 -3.962 4.020 1.00 0.00 O ATOM 630 NE2 GLN A 40 14.353 -2.030 3.722 1.00 0.00 N ATOM 0 H GLN A 40 10.865 -0.146 1.170 1.00 0.00 H new ATOM 0 HA GLN A 40 9.798 -2.863 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.184 -1.041 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.739 -2.710 3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.223 -3.300 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.823 -1.656 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.420 -1.145 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.039 -2.261 4.441 1.00 0.00 H new ATOM 639 N GLN A 41 7.733 -0.845 1.818 1.00 0.00 N ATOM 640 CA GLN A 41 6.448 -0.437 2.376 1.00 0.00 C ATOM 641 C GLN A 41 5.464 -1.605 2.338 1.00 0.00 C ATOM 642 O GLN A 41 5.109 -2.090 1.264 1.00 0.00 O ATOM 643 CB GLN A 41 5.878 0.755 1.601 1.00 0.00 C ATOM 644 CG GLN A 41 4.845 1.551 2.382 1.00 0.00 C ATOM 645 CD GLN A 41 3.560 1.767 1.602 1.00 0.00 C ATOM 646 OE1 GLN A 41 3.034 0.839 0.987 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.045 2.994 1.619 1.00 0.00 N ATOM 0 H GLN A 41 7.872 -0.593 0.839 1.00 0.00 H new ATOM 0 HA GLN A 41 6.602 -0.135 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.696 1.417 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.424 0.394 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.618 1.030 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.267 2.518 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.512 3.736 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.184 3.193 1.110 1.00 0.00 H new ATOM 656 N ARG A 42 5.037 -2.065 3.514 1.00 0.00 N ATOM 657 CA ARG A 42 4.109 -3.187 3.596 1.00 0.00 C ATOM 658 C ARG A 42 3.099 -2.993 4.725 1.00 0.00 C ATOM 659 O ARG A 42 3.259 -2.108 5.566 1.00 0.00 O ATOM 660 CB ARG A 42 4.886 -4.488 3.812 1.00 0.00 C ATOM 661 CG ARG A 42 4.211 -5.714 3.214 1.00 0.00 C ATOM 662 CD ARG A 42 3.747 -6.684 4.291 1.00 0.00 C ATOM 663 NE ARG A 42 4.457 -7.959 4.224 1.00 0.00 N ATOM 664 CZ ARG A 42 5.659 -8.171 4.760 1.00 0.00 C ATOM 665 NH1 ARG A 42 6.288 -7.197 5.404 1.00 0.00 N ATOM 666 NH2 ARG A 42 6.233 -9.362 4.652 1.00 0.00 N ATOM 0 H ARG A 42 5.318 -1.680 4.416 1.00 0.00 H new ATOM 0 HA ARG A 42 3.559 -3.240 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.880 -4.383 3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.022 -4.645 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.357 -5.402 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.905 -6.220 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.900 -6.235 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.677 -6.859 4.184 1.00 0.00 H new ATOM 0 HE ARG A 42 4.006 -8.734 3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.852 -6.279 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.208 -7.366 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.755 -10.116 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.153 -9.524 5.062 1.00 0.00 H new ATOM 680 N LEU A 43 2.061 -3.828 4.741 1.00 0.00 N ATOM 681 CA LEU A 43 1.032 -3.748 5.772 1.00 0.00 C ATOM 682 C LEU A 43 1.207 -4.865 6.797 1.00 0.00 C ATOM 683 O LEU A 43 1.969 -5.806 6.575 1.00 0.00 O ATOM 684 CB LEU A 43 -0.359 -3.831 5.140 1.00 0.00 C ATOM 685 CG LEU A 43 -0.642 -5.119 4.363 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.073 -5.581 4.595 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.381 -4.914 2.878 1.00 0.00 C ATOM 0 H LEU A 43 1.912 -4.566 4.052 1.00 0.00 H new ATOM 0 HA LEU A 43 1.133 -2.790 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.106 -3.728 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.487 -2.983 4.467 1.00 0.00 H new ATOM 0 HG LEU A 43 0.032 -5.895 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.255 -6.498 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.227 -5.769 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.764 -4.808 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.587 -5.840 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.029 -4.123 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.661 -4.632 2.727 1.00 0.00 H new ATOM 699 N ILE A 44 0.501 -4.759 7.921 1.00 0.00 N ATOM 700 CA ILE A 44 0.589 -5.765 8.973 1.00 0.00 C ATOM 701 C ILE A 44 -0.714 -6.558 9.088 1.00 0.00 C ATOM 702 O ILE A 44 -1.487 -6.365 10.026 1.00 0.00 O ATOM 703 CB ILE A 44 0.919 -5.121 10.335 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.057 -6.196 11.418 1.00 0.00 C ATOM 705 CG2 ILE A 44 -0.147 -4.104 10.719 1.00 0.00 C ATOM 706 CD1 ILE A 44 1.960 -5.790 12.562 1.00 0.00 C ATOM 0 H ILE A 44 -0.136 -3.989 8.125 1.00 0.00 H new ATOM 0 HA ILE A 44 1.395 -6.445 8.699 1.00 0.00 H new ATOM 0 HB ILE A 44 1.872 -4.599 10.247 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.069 -6.432 11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.446 -7.108 10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.103 -3.661 11.683 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.194 -3.322 9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.115 -4.600 10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.011 -6.599 13.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.960 -5.582 12.180 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.561 -4.895 13.040 1.00 0.00 H new ATOM 718 N PHE A 45 -0.954 -7.452 8.130 1.00 0.00 N ATOM 719 CA PHE A 45 -2.165 -8.266 8.137 1.00 0.00 C ATOM 720 C PHE A 45 -1.932 -9.616 7.458 1.00 0.00 C ATOM 721 O PHE A 45 -1.718 -9.682 6.247 1.00 0.00 O ATOM 722 CB PHE A 45 -3.309 -7.525 7.444 1.00 0.00 C ATOM 723 CG PHE A 45 -4.649 -7.766 8.078 1.00 0.00 C ATOM 724 CD1 PHE A 45 -5.239 -9.019 8.027 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.317 -6.739 8.726 1.00 0.00 C ATOM 726 CE1 PHE A 45 -6.471 -9.243 8.611 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.550 -6.959 9.312 1.00 0.00 C ATOM 728 CZ PHE A 45 -7.127 -8.213 9.255 1.00 0.00 C ATOM 0 H PHE A 45 -0.329 -7.629 7.344 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.435 -8.450 9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.098 -6.456 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.350 -7.832 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.730 -9.829 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.870 -5.757 8.774 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.921 -10.224 8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.062 -6.151 9.814 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.089 -8.387 9.713 1.00 0.00 H new ATOM 738 N ALA A 46 -1.979 -10.691 8.244 1.00 0.00 N ATOM 739 CA ALA A 46 -1.778 -12.037 7.717 1.00 0.00 C ATOM 740 C ALA A 46 -0.403 -12.193 7.062 1.00 0.00 C ATOM 741 O ALA A 46 -0.223 -13.045 6.191 1.00 0.00 O ATOM 742 CB ALA A 46 -2.876 -12.377 6.721 1.00 0.00 C ATOM 0 H ALA A 46 -2.155 -10.654 9.248 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.823 -12.731 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.717 -13.383 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.845 -12.328 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.854 -11.663 5.897 1.00 0.00 H new ATOM 748 N GLY A 47 0.568 -11.377 7.484 1.00 0.00 N ATOM 749 CA GLY A 47 1.908 -11.458 6.922 1.00 0.00 C ATOM 750 C GLY A 47 1.912 -11.607 5.409 1.00 0.00 C ATOM 751 O GLY A 47 2.641 -12.436 4.866 1.00 0.00 O ATOM 0 H GLY A 47 0.448 -10.664 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.465 -10.561 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.431 -12.305 7.366 1.00 0.00 H new ATOM 755 N LYS A 48 1.098 -10.804 4.724 1.00 0.00 N ATOM 756 CA LYS A 48 1.021 -10.864 3.269 1.00 0.00 C ATOM 757 C LYS A 48 1.847 -9.747 2.633 1.00 0.00 C ATOM 758 O LYS A 48 1.795 -8.599 3.074 1.00 0.00 O ATOM 759 CB LYS A 48 -0.433 -10.763 2.807 1.00 0.00 C ATOM 760 CG LYS A 48 -0.656 -11.265 1.389 1.00 0.00 C ATOM 761 CD LYS A 48 -0.410 -12.761 1.282 1.00 0.00 C ATOM 762 CE LYS A 48 0.960 -13.061 0.698 1.00 0.00 C ATOM 763 NZ LYS A 48 0.964 -14.324 -0.091 1.00 0.00 N ATOM 0 H LYS A 48 0.487 -10.109 5.152 1.00 0.00 H new ATOM 0 HA LYS A 48 1.430 -11.823 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.063 -11.334 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.755 -9.723 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.676 -11.040 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.009 -10.736 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.493 -13.216 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.180 -13.213 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.272 -12.234 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.690 -13.134 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.936 -14.546 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.594 -15.100 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.364 -14.209 -0.933 1.00 0.00 H new ATOM 777 N GLN A 49 2.610 -10.089 1.596 1.00 0.00 N ATOM 778 CA GLN A 49 3.445 -9.108 0.909 1.00 0.00 C ATOM 779 C GLN A 49 2.674 -8.431 -0.223 1.00 0.00 C ATOM 780 O GLN A 49 1.657 -8.946 -0.687 1.00 0.00 O ATOM 781 CB GLN A 49 4.710 -9.774 0.359 1.00 0.00 C ATOM 782 CG GLN A 49 5.997 -9.117 0.831 1.00 0.00 C ATOM 783 CD GLN A 49 6.546 -8.119 -0.174 1.00 0.00 C ATOM 784 OE1 GLN A 49 5.909 -7.832 -1.188 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.733 -7.582 0.100 1.00 0.00 N ATOM 0 H GLN A 49 2.667 -11.034 1.215 1.00 0.00 H new ATOM 0 HA GLN A 49 3.733 -8.345 1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.717 -10.823 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.678 -9.751 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.815 -8.610 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.746 -9.887 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.228 -7.847 0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.147 -6.906 -0.541 1.00 0.00 H new ATOM 794 N LEU A 50 3.165 -7.274 -0.664 1.00 0.00 N ATOM 795 CA LEU A 50 2.519 -6.532 -1.743 1.00 0.00 C ATOM 796 C LEU A 50 2.858 -7.125 -3.115 1.00 0.00 C ATOM 797 O LEU A 50 2.143 -6.889 -4.089 1.00 0.00 O ATOM 798 CB LEU A 50 2.923 -5.053 -1.697 1.00 0.00 C ATOM 799 CG LEU A 50 1.759 -4.066 -1.592 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.907 -4.372 -0.369 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.276 -2.636 -1.540 1.00 0.00 C ATOM 0 H LEU A 50 4.005 -6.832 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 50 1.442 -6.612 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.587 -4.900 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.496 -4.821 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 50 1.135 -4.174 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.084 -3.659 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.507 -5.383 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.519 -4.293 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.434 -1.947 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.923 -2.514 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.842 -2.421 -2.446 1.00 0.00 H new ATOM 813 N GLU A 51 3.950 -7.890 -3.194 1.00 0.00 N ATOM 814 CA GLU A 51 4.359 -8.500 -4.457 1.00 0.00 C ATOM 815 C GLU A 51 3.522 -9.741 -4.764 1.00 0.00 C ATOM 816 O GLU A 51 3.123 -9.959 -5.908 1.00 0.00 O ATOM 817 CB GLU A 51 5.844 -8.870 -4.419 1.00 0.00 C ATOM 818 CG GLU A 51 6.771 -7.697 -4.694 1.00 0.00 C ATOM 819 CD GLU A 51 7.397 -7.758 -6.074 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.156 -8.713 -6.340 1.00 0.00 O ATOM 821 OE2 GLU A 51 7.128 -6.849 -6.888 1.00 0.00 O ATOM 0 H GLU A 51 4.561 -8.099 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 51 4.195 -7.768 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.081 -9.288 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.034 -9.652 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.213 -6.766 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.560 -7.678 -3.942 1.00 0.00 H new ATOM 828 N ASP A 52 3.249 -10.549 -3.737 1.00 0.00 N ATOM 829 CA ASP A 52 2.455 -11.754 -3.897 1.00 0.00 C ATOM 830 C ASP A 52 1.195 -11.446 -4.683 1.00 0.00 C ATOM 831 O ASP A 52 0.376 -10.632 -4.259 1.00 0.00 O ATOM 832 CB ASP A 52 2.088 -12.351 -2.535 1.00 0.00 C ATOM 833 CG ASP A 52 3.099 -13.376 -2.062 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.242 -12.982 -1.749 1.00 0.00 O ATOM 835 OD2 ASP A 52 2.748 -14.574 -2.005 1.00 0.00 O ATOM 0 H ASP A 52 3.571 -10.383 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 52 3.050 -12.485 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.014 -11.551 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.105 -12.817 -2.599 1.00 0.00 H new ATOM 840 N GLY A 53 1.048 -12.089 -5.828 1.00 0.00 N ATOM 841 CA GLY A 53 -0.122 -11.863 -6.657 1.00 0.00 C ATOM 842 C GLY A 53 -1.404 -12.381 -6.024 1.00 0.00 C ATOM 843 O GLY A 53 -2.133 -13.156 -6.643 1.00 0.00 O ATOM 0 H GLY A 53 1.715 -12.764 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.224 -10.795 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.023 -12.349 -7.622 1.00 0.00 H new ATOM 847 N ARG A 54 -1.687 -11.954 -4.790 1.00 0.00 N ATOM 848 CA ARG A 54 -2.894 -12.387 -4.094 1.00 0.00 C ATOM 849 C ARG A 54 -3.915 -11.253 -4.026 1.00 0.00 C ATOM 850 O ARG A 54 -3.578 -10.092 -4.256 1.00 0.00 O ATOM 851 CB ARG A 54 -2.549 -12.869 -2.683 1.00 0.00 C ATOM 852 CG ARG A 54 -2.437 -14.381 -2.568 1.00 0.00 C ATOM 853 CD ARG A 54 -1.174 -14.900 -3.238 1.00 0.00 C ATOM 854 NE ARG A 54 -1.447 -15.506 -4.542 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.635 -16.379 -5.138 1.00 0.00 C ATOM 856 NH1 ARG A 54 0.500 -16.746 -4.557 1.00 0.00 N ATOM 857 NH2 ARG A 54 -0.959 -16.886 -6.321 1.00 0.00 N ATOM 0 H ARG A 54 -1.098 -11.313 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.333 -13.214 -4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.606 -12.418 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.313 -12.516 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.436 -14.668 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.310 -14.847 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.467 -14.079 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.698 -15.636 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.308 -15.245 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.756 -16.360 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.116 -17.415 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.829 -16.608 -6.774 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.338 -17.554 -6.777 1.00 0.00 H new ATOM 871 N THR A 55 -5.163 -11.592 -3.706 1.00 0.00 N ATOM 872 CA THR A 55 -6.219 -10.591 -3.608 1.00 0.00 C ATOM 873 C THR A 55 -6.458 -10.201 -2.152 1.00 0.00 C ATOM 874 O THR A 55 -6.600 -11.062 -1.287 1.00 0.00 O ATOM 875 CB THR A 55 -7.514 -11.119 -4.228 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.305 -11.503 -5.575 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.642 -10.111 -4.206 1.00 0.00 C ATOM 0 H THR A 55 -5.464 -12.547 -3.512 1.00 0.00 H new ATOM 0 HA THR A 55 -5.901 -9.705 -4.158 1.00 0.00 H new ATOM 0 HB THR A 55 -7.801 -11.973 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.144 -11.839 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.531 -10.549 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.861 -9.833 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.348 -9.224 -4.766 1.00 0.00 H new ATOM 885 N LEU A 56 -6.506 -8.899 -1.882 1.00 0.00 N ATOM 886 CA LEU A 56 -6.729 -8.417 -0.519 1.00 0.00 C ATOM 887 C LEU A 56 -7.960 -9.082 0.104 1.00 0.00 C ATOM 888 O LEU A 56 -7.996 -9.328 1.310 1.00 0.00 O ATOM 889 CB LEU A 56 -6.895 -6.890 -0.499 1.00 0.00 C ATOM 890 CG LEU A 56 -7.776 -6.312 -1.612 1.00 0.00 C ATOM 891 CD1 LEU A 56 -8.783 -5.325 -1.041 1.00 0.00 C ATOM 892 CD2 LEU A 56 -6.920 -5.646 -2.680 1.00 0.00 C ATOM 0 H LEU A 56 -6.395 -8.164 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.853 -8.683 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.317 -6.600 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.908 -6.433 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.325 -7.132 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.399 -4.926 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.419 -5.833 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.254 -4.508 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.563 -5.242 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.342 -4.838 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.241 -6.381 -3.113 1.00 0.00 H new ATOM 904 N SER A 57 -8.965 -9.373 -0.720 1.00 0.00 N ATOM 905 CA SER A 57 -10.189 -10.010 -0.236 1.00 0.00 C ATOM 906 C SER A 57 -9.916 -11.408 0.326 1.00 0.00 C ATOM 907 O SER A 57 -10.553 -11.823 1.295 1.00 0.00 O ATOM 908 CB SER A 57 -11.230 -10.096 -1.355 1.00 0.00 C ATOM 909 OG SER A 57 -12.496 -10.478 -0.847 1.00 0.00 O ATOM 0 H SER A 57 -8.957 -9.179 -1.721 1.00 0.00 H new ATOM 0 HA SER A 57 -10.579 -9.390 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.312 -9.131 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.903 -10.816 -2.105 1.00 0.00 H new ATOM 0 HG SER A 57 -13.143 -10.524 -1.582 1.00 0.00 H new ATOM 915 N ASP A 58 -8.984 -12.144 -0.287 1.00 0.00 N ATOM 916 CA ASP A 58 -8.669 -13.499 0.170 1.00 0.00 C ATOM 917 C ASP A 58 -8.274 -13.524 1.651 1.00 0.00 C ATOM 918 O ASP A 58 -8.529 -14.509 2.344 1.00 0.00 O ATOM 919 CB ASP A 58 -7.565 -14.133 -0.694 1.00 0.00 C ATOM 920 CG ASP A 58 -6.176 -13.590 -0.403 1.00 0.00 C ATOM 921 OD1 ASP A 58 -5.779 -13.563 0.781 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.480 -13.201 -1.364 1.00 0.00 O ATOM 0 H ASP A 58 -8.441 -11.829 -1.091 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.577 -14.092 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.565 -15.211 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.798 -13.966 -1.746 1.00 0.00 H new ATOM 927 N TYR A 59 -7.650 -12.449 2.135 1.00 0.00 N ATOM 928 CA TYR A 59 -7.231 -12.386 3.533 1.00 0.00 C ATOM 929 C TYR A 59 -8.161 -11.492 4.361 1.00 0.00 C ATOM 930 O TYR A 59 -7.734 -10.887 5.345 1.00 0.00 O ATOM 931 CB TYR A 59 -5.791 -11.877 3.633 1.00 0.00 C ATOM 932 CG TYR A 59 -4.765 -12.986 3.712 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.714 -13.832 4.814 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.852 -13.189 2.686 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.780 -14.848 4.890 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.915 -14.202 2.755 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.883 -15.028 3.858 1.00 0.00 C ATOM 938 OH TYR A 59 -1.952 -16.039 3.930 1.00 0.00 O ATOM 0 H TYR A 59 -7.426 -11.619 1.585 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.286 -13.396 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.574 -11.252 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.698 -11.243 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.415 -13.693 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.875 -12.544 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.753 -15.497 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.211 -14.346 1.949 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.397 -16.031 3.122 1.00 0.00 H new ATOM 948 N ASN A 60 -9.435 -11.416 3.966 1.00 0.00 N ATOM 949 CA ASN A 60 -10.417 -10.603 4.680 1.00 0.00 C ATOM 950 C ASN A 60 -10.101 -9.103 4.610 1.00 0.00 C ATOM 951 O ASN A 60 -10.695 -8.313 5.344 1.00 0.00 O ATOM 952 CB ASN A 60 -10.498 -11.043 6.144 1.00 0.00 C ATOM 953 CG ASN A 60 -11.809 -10.641 6.797 1.00 0.00 C ATOM 954 OD1 ASN A 60 -12.020 -9.471 7.116 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.699 -11.610 7.002 1.00 0.00 N ATOM 0 H ASN A 60 -9.808 -11.909 3.155 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.377 -10.759 4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.383 -12.125 6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.669 -10.604 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.595 -11.395 7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.484 -12.567 6.722 1.00 0.00 H new ATOM 962 N ILE A 61 -9.181 -8.701 3.729 1.00 0.00 N ATOM 963 CA ILE A 61 -8.832 -7.292 3.592 1.00 0.00 C ATOM 964 C ILE A 61 -9.722 -6.614 2.551 1.00 0.00 C ATOM 965 O ILE A 61 -9.239 -6.149 1.519 1.00 0.00 O ATOM 966 CB ILE A 61 -7.352 -7.106 3.202 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.451 -7.910 4.141 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.976 -5.632 3.231 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.077 -8.187 3.571 1.00 0.00 C ATOM 0 H ILE A 61 -8.671 -9.328 3.107 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.992 -6.827 4.565 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.210 -7.476 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.343 -7.368 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.937 -8.858 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.928 -5.518 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.600 -5.083 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.130 -5.237 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.493 -8.761 4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.175 -8.757 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.572 -7.243 3.364 1.00 0.00 H new ATOM 981 N GLN A 62 -11.026 -6.572 2.819 1.00 0.00 N ATOM 982 CA GLN A 62 -11.975 -5.963 1.895 1.00 0.00 C ATOM 983 C GLN A 62 -12.430 -4.589 2.391 1.00 0.00 C ATOM 984 O GLN A 62 -11.903 -4.071 3.375 1.00 0.00 O ATOM 985 CB GLN A 62 -13.181 -6.887 1.704 1.00 0.00 C ATOM 986 CG GLN A 62 -14.096 -6.962 2.916 1.00 0.00 C ATOM 987 CD GLN A 62 -15.380 -7.722 2.632 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.476 -7.197 2.822 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.252 -8.966 2.175 1.00 0.00 N ATOM 0 H GLN A 62 -11.447 -6.952 3.667 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.476 -5.821 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.758 -6.543 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.825 -7.889 1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.566 -7.445 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.341 -5.952 3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.324 -9.364 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.082 -9.521 1.968 1.00 0.00 H new ATOM 998 N LYS A 63 -13.407 -3.997 1.701 1.00 0.00 N ATOM 999 CA LYS A 63 -13.925 -2.679 2.074 1.00 0.00 C ATOM 1000 C LYS A 63 -14.199 -2.592 3.577 1.00 0.00 C ATOM 1001 O LYS A 63 -14.704 -3.537 4.182 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.207 -2.367 1.297 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.791 -0.998 1.607 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.022 -0.712 0.762 1.00 0.00 C ATOM 1005 CE LYS A 63 -18.119 -1.734 1.014 1.00 0.00 C ATOM 1006 NZ LYS A 63 -19.474 -1.164 0.776 1.00 0.00 N ATOM 0 H LYS A 63 -13.855 -4.409 0.882 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.162 -1.943 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.999 -2.430 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.952 -3.130 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.053 -0.944 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.038 -0.231 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.395 0.287 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.750 -0.721 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.968 -2.596 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.052 -2.093 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.194 -1.892 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.628 -0.357 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.548 -0.844 -0.211 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.861 -1.445 4.171 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.069 -1.224 5.601 1.00 0.00 C ATOM 1022 C GLU A 64 -13.206 -2.155 6.463 1.00 0.00 C ATOM 1023 O GLU A 64 -13.456 -2.297 7.660 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.547 -1.411 5.956 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.337 -0.113 5.973 1.00 0.00 C ATOM 1026 CD GLU A 64 -17.686 -0.242 5.292 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.714 -0.350 4.048 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -18.713 -0.235 6.003 1.00 0.00 O ATOM 0 H GLU A 64 -13.441 -0.655 3.681 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.766 -0.199 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.001 -2.094 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.620 -1.884 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.484 0.205 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.758 0.667 5.479 1.00 0.00 H new ATOM 1035 N SER A 65 -12.186 -2.779 5.867 1.00 0.00 N ATOM 1036 CA SER A 65 -11.306 -3.673 6.617 1.00 0.00 C ATOM 1037 C SER A 65 -10.334 -2.873 7.480 1.00 0.00 C ATOM 1038 O SER A 65 -10.387 -1.643 7.510 1.00 0.00 O ATOM 1039 CB SER A 65 -10.530 -4.591 5.667 1.00 0.00 C ATOM 1040 OG SER A 65 -9.618 -5.411 6.379 1.00 0.00 O ATOM 0 H SER A 65 -11.953 -2.682 4.879 1.00 0.00 H new ATOM 0 HA SER A 65 -11.927 -4.288 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.228 -5.217 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.989 -3.989 4.937 1.00 0.00 H new ATOM 0 HG SER A 65 -8.706 -5.235 6.066 1.00 0.00 H new ATOM 1046 N THR A 66 -9.440 -3.574 8.174 1.00 0.00 N ATOM 1047 CA THR A 66 -8.453 -2.920 9.024 1.00 0.00 C ATOM 1048 C THR A 66 -7.071 -2.978 8.377 1.00 0.00 C ATOM 1049 O THR A 66 -6.329 -3.941 8.569 1.00 0.00 O ATOM 1050 CB THR A 66 -8.417 -3.579 10.404 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.937 -4.896 10.344 1.00 0.00 O ATOM 1052 CG2 THR A 66 -9.206 -2.821 11.450 1.00 0.00 C ATOM 0 H THR A 66 -9.380 -4.592 8.163 1.00 0.00 H new ATOM 0 HA THR A 66 -8.739 -1.875 9.143 1.00 0.00 H new ATOM 0 HB THR A 66 -7.367 -3.582 10.696 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.904 -5.302 11.236 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.139 -3.342 12.405 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.798 -1.816 11.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.250 -2.758 11.144 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.733 -1.948 7.601 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.442 -1.898 6.923 1.00 0.00 C ATOM 1062 C LEU A 67 -4.446 -1.033 7.693 1.00 0.00 C ATOM 1063 O LEU A 67 -4.502 0.195 7.634 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.609 -1.359 5.501 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.966 -2.408 4.447 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.474 -2.581 4.357 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.390 -2.022 3.094 1.00 0.00 C ATOM 0 H LEU A 67 -7.333 -1.142 7.428 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.049 -2.914 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.386 -0.594 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.682 -0.869 5.204 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.529 -3.360 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.710 -3.331 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.861 -2.904 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.933 -1.632 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.654 -2.780 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.797 -1.059 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.305 -1.950 3.168 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.531 -1.683 8.411 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.522 -0.969 9.185 1.00 0.00 C ATOM 1081 C HIS A 68 -1.151 -1.086 8.520 1.00 0.00 C ATOM 1082 O HIS A 68 -0.545 -2.157 8.517 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.462 -1.517 10.613 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.618 -0.463 11.665 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -1.608 0.410 12.011 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -3.674 -0.143 12.450 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -2.036 1.221 12.963 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -3.286 0.907 13.246 1.00 0.00 N ATOM 0 H HIS A 68 -3.469 -2.699 8.472 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.801 0.084 9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.245 -2.264 10.740 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.509 -2.026 10.759 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.641 -0.624 12.450 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.461 2.007 13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.870 1.369 13.943 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.666 0.020 7.958 1.00 0.00 N ATOM 1098 CA LEU A 69 0.633 0.027 7.292 1.00 0.00 C ATOM 1099 C LEU A 69 1.735 0.476 8.250 1.00 0.00 C ATOM 1100 O LEU A 69 1.469 0.782 9.411 1.00 0.00 O ATOM 1101 CB LEU A 69 0.598 0.941 6.063 1.00 0.00 C ATOM 1102 CG LEU A 69 1.002 0.271 4.746 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.147 0.308 3.749 1.00 0.00 C ATOM 1104 CD2 LEU A 69 2.238 0.941 4.162 1.00 0.00 C ATOM 0 H LEU A 69 -1.151 0.917 7.951 1.00 0.00 H new ATOM 0 HA LEU A 69 0.853 -0.991 6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.410 1.341 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.260 1.788 6.240 1.00 0.00 H new ATOM 0 HG LEU A 69 1.241 -0.772 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.161 -0.173 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.006 -0.220 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.421 1.344 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.510 0.451 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.026 1.993 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.064 0.859 4.868 1.00 0.00 H new ATOM 1116 N VAL A 70 2.973 0.512 7.758 1.00 0.00 N ATOM 1117 CA VAL A 70 4.104 0.925 8.580 1.00 0.00 C ATOM 1118 C VAL A 70 4.545 2.345 8.235 1.00 0.00 C ATOM 1119 O VAL A 70 4.061 2.937 7.270 1.00 0.00 O ATOM 1120 CB VAL A 70 5.302 -0.030 8.410 1.00 0.00 C ATOM 1121 CG1 VAL A 70 4.944 -1.428 8.893 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.762 -0.062 6.960 1.00 0.00 C ATOM 0 H VAL A 70 3.215 0.261 6.799 1.00 0.00 H new ATOM 0 HA VAL A 70 3.770 0.893 9.617 1.00 0.00 H new ATOM 0 HB VAL A 70 6.126 0.341 9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.802 -2.088 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.670 -1.390 9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.103 -1.809 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.608 -0.742 6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.945 -0.406 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.063 0.939 6.652 1.00 0.00 H new ATOM 1132 N LEU A 71 5.468 2.889 9.026 1.00 0.00 N ATOM 1133 CA LEU A 71 5.967 4.242 8.793 1.00 0.00 C ATOM 1134 C LEU A 71 6.960 4.262 7.634 1.00 0.00 C ATOM 1135 O LEU A 71 7.720 3.312 7.442 1.00 0.00 O ATOM 1136 CB LEU A 71 6.628 4.799 10.058 1.00 0.00 C ATOM 1137 CG LEU A 71 6.324 6.271 10.353 1.00 0.00 C ATOM 1138 CD1 LEU A 71 5.409 6.398 11.563 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.611 7.051 10.573 1.00 0.00 C ATOM 0 H LEU A 71 5.883 2.417 9.829 1.00 0.00 H new ATOM 0 HA LEU A 71 5.117 4.873 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.309 4.200 10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.708 4.677 9.969 1.00 0.00 H new ATOM 0 HG LEU A 71 5.811 6.693 9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.205 7.451 11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.472 5.877 11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.894 5.957 12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.373 8.094 10.781 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.154 6.627 11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.230 6.992 9.678 1.00 0.00 H new ATOM 1151 N ARG A 72 6.951 5.347 6.862 1.00 0.00 N ATOM 1152 CA ARG A 72 7.857 5.478 5.724 1.00 0.00 C ATOM 1153 C ARG A 72 9.139 6.204 6.126 1.00 0.00 C ATOM 1154 O ARG A 72 9.278 6.651 7.266 1.00 0.00 O ATOM 1155 CB ARG A 72 7.169 6.221 4.574 1.00 0.00 C ATOM 1156 CG ARG A 72 6.900 7.689 4.864 1.00 0.00 C ATOM 1157 CD ARG A 72 6.180 8.362 3.704 1.00 0.00 C ATOM 1158 NE ARG A 72 6.436 9.802 3.652 1.00 0.00 N ATOM 1159 CZ ARG A 72 6.287 10.541 2.554 1.00 0.00 C ATOM 1160 NH1 ARG A 72 5.880 9.984 1.418 1.00 0.00 N ATOM 1161 NH2 ARG A 72 6.542 11.842 2.589 1.00 0.00 N ATOM 0 H ARG A 72 6.330 6.144 7.003 1.00 0.00 H new ATOM 0 HA ARG A 72 8.122 4.475 5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.790 6.145 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.224 5.726 4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.298 7.778 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.842 8.202 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.498 7.905 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.108 8.189 3.795 1.00 0.00 H new ATOM 0 HE ARG A 72 6.746 10.266 4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.680 8.984 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.768 10.556 0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.853 12.278 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.428 12.407 1.747 1.00 0.00 H new ATOM 1175 N LEU A 73 10.074 6.320 5.186 1.00 0.00 N ATOM 1176 CA LEU A 73 11.345 6.994 5.451 1.00 0.00 C ATOM 1177 C LEU A 73 11.191 8.513 5.373 1.00 0.00 C ATOM 1178 O LEU A 73 11.832 9.245 6.127 1.00 0.00 O ATOM 1179 CB LEU A 73 12.417 6.528 4.462 1.00 0.00 C ATOM 1180 CG LEU A 73 13.141 5.238 4.852 1.00 0.00 C ATOM 1181 CD1 LEU A 73 13.784 5.380 6.223 1.00 0.00 C ATOM 1182 CD2 LEU A 73 12.176 4.061 4.834 1.00 0.00 C ATOM 0 H LEU A 73 9.977 5.958 4.237 1.00 0.00 H new ATOM 0 HA LEU A 73 11.655 6.731 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.952 6.385 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.156 7.322 4.350 1.00 0.00 H new ATOM 0 HG LEU A 73 13.928 5.050 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.294 4.453 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.505 6.198 6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.015 5.592 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.707 3.151 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.368 4.242 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.761 3.946 3.833 1.00 0.00 H new ATOM 1194 N ARG A 74 10.341 8.985 4.461 1.00 0.00 N ATOM 1195 CA ARG A 74 10.119 10.420 4.303 1.00 0.00 C ATOM 1196 C ARG A 74 9.161 10.944 5.370 1.00 0.00 C ATOM 1197 O ARG A 74 8.077 10.396 5.565 1.00 0.00 O ATOM 1198 CB ARG A 74 9.564 10.729 2.908 1.00 0.00 C ATOM 1199 CG ARG A 74 10.628 10.766 1.824 1.00 0.00 C ATOM 1200 CD ARG A 74 10.647 9.478 1.016 1.00 0.00 C ATOM 1201 NE ARG A 74 11.730 8.589 1.429 1.00 0.00 N ATOM 1202 CZ ARG A 74 13.020 8.838 1.205 1.00 0.00 C ATOM 1203 NH1 ARG A 74 13.388 9.946 0.574 1.00 0.00 N ATOM 1204 NH2 ARG A 74 13.943 7.978 1.614 1.00 0.00 N ATOM 0 H ARG A 74 9.799 8.399 3.826 1.00 0.00 H new ATOM 0 HA ARG A 74 11.079 10.922 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.819 9.977 2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.051 11.690 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.443 11.610 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.606 10.926 2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.693 8.964 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.756 9.715 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 74 11.485 7.728 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.682 10.611 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.376 10.132 0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.666 7.125 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.930 8.169 1.442 1.00 0.00 H new ATOM 1218 N GLY A 75 9.567 12.008 6.061 1.00 0.00 N ATOM 1219 CA GLY A 75 8.729 12.581 7.099 1.00 0.00 C ATOM 1220 C GLY A 75 9.525 13.006 8.319 1.00 0.00 C ATOM 1221 O GLY A 75 9.282 14.073 8.882 1.00 0.00 O ATOM 0 H GLY A 75 10.459 12.481 5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.197 13.444 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.975 11.852 7.397 1.00 0.00 H new ATOM 1225 N GLY A 76 10.482 12.174 8.729 1.00 0.00 N ATOM 1226 CA GLY A 76 11.296 12.496 9.886 1.00 0.00 C ATOM 1227 C GLY A 76 12.743 12.076 9.714 1.00 0.00 C ATOM 1228 O GLY A 76 13.042 11.372 8.726 1.00 0.00 O ATOM 1229 OXT GLY A 76 13.576 12.451 10.565 1.00 0.00 O ATOM 0 H GLY A 76 10.706 11.286 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.252 13.570 10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.881 12.005 10.766 1.00 0.00 H new TER 1233 GLY A 76