USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 145:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.467 USER MOD Set 2.1: A 22 THR OG1 : rot -89:sc= 1.72 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.97 K(o=3.7,f=-1.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -35:sc= 0.416 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 USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.161 USER MOD Single : A 20 SER OG : rot -36:sc= 0.551 USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 0.678 (180deg=0.128) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.47 K(o=1.5,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0427) USER MOD Single : A 40 GLN : amide:sc=-0.00283 K(o=-0.0028,f=-0.89) USER MOD Single : A 41 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.902 K(o=0.9,f=-5.4!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.886 USER MOD Single : A 60 ASN : amide:sc= -0.325 X(o=-0.32,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0595 X(o=0.059,f=-0.00069) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.497 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.642 -11.028 5.987 1.00 0.00 N ATOM 21 CA GLN A 2 -3.239 -10.622 5.887 1.00 0.00 C ATOM 22 C GLN A 2 -2.893 -10.248 4.436 1.00 0.00 C ATOM 23 O GLN A 2 -3.354 -10.909 3.504 1.00 0.00 O ATOM 24 CB GLN A 2 -2.374 -11.763 6.435 1.00 0.00 C ATOM 25 CG GLN A 2 -0.879 -11.442 6.517 1.00 0.00 C ATOM 26 CD GLN A 2 -0.163 -12.465 7.396 1.00 0.00 C ATOM 27 OE1 GLN A 2 0.262 -13.507 6.941 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.205 -12.329 8.705 1.00 0.00 N ATOM 0 HA GLN A 2 -3.045 -9.729 6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.731 -12.027 7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.510 -12.641 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.445 -11.444 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.737 -10.441 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.557 -11.465 9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.115 -13.088 9.307 1.00 0.00 H new ATOM 37 N ILE A 3 -2.078 -9.208 4.252 1.00 0.00 N ATOM 38 CA ILE A 3 -1.542 -8.761 2.953 1.00 0.00 C ATOM 39 C ILE A 3 -0.082 -8.315 3.130 1.00 0.00 C ATOM 40 O ILE A 3 0.343 -7.961 4.236 1.00 0.00 O ATOM 41 CB ILE A 3 -2.410 -7.638 2.319 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.446 -6.356 3.180 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.828 -8.145 2.002 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.204 -5.181 2.553 1.00 0.00 C ATOM 0 H ILE A 3 -1.758 -8.629 5.028 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.575 -9.600 2.258 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.932 -7.363 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.903 -6.593 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.422 -6.043 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.412 -7.338 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.769 -8.977 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.309 -8.479 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.175 -4.327 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.736 -4.910 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.240 -5.469 2.376 1.00 0.00 H new ATOM 56 N PHE A 4 0.676 -8.316 2.032 1.00 0.00 N ATOM 57 CA PHE A 4 2.125 -8.118 2.028 1.00 0.00 C ATOM 58 C PHE A 4 2.586 -6.930 1.175 1.00 0.00 C ATOM 59 O PHE A 4 2.009 -6.692 0.115 1.00 0.00 O ATOM 60 CB PHE A 4 2.810 -9.412 1.572 1.00 0.00 C ATOM 61 CG PHE A 4 2.580 -10.608 2.479 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.140 -10.648 3.771 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.797 -11.691 2.027 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.917 -11.759 4.603 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.578 -12.802 2.861 1.00 0.00 C ATOM 66 CZ PHE A 4 2.131 -12.834 4.151 1.00 0.00 C ATOM 0 H PHE A 4 0.289 -8.458 1.099 1.00 0.00 H new ATOM 0 HA PHE A 4 2.417 -7.873 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.457 -9.660 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.882 -9.232 1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.742 -9.823 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.365 -11.667 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.350 -11.787 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.983 -13.632 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.953 -13.683 4.795 1.00 0.00 H new ATOM 76 N VAL A 5 3.644 -6.215 1.583 1.00 0.00 N ATOM 77 CA VAL A 5 4.293 -5.155 0.782 1.00 0.00 C ATOM 78 C VAL A 5 5.776 -5.427 0.524 1.00 0.00 C ATOM 79 O VAL A 5 6.519 -5.703 1.465 1.00 0.00 O ATOM 80 CB VAL A 5 4.080 -3.733 1.348 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.377 -2.665 0.286 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.669 -3.489 1.903 1.00 0.00 C ATOM 0 H VAL A 5 4.084 -6.355 2.493 1.00 0.00 H new ATOM 0 HA VAL A 5 3.782 -5.188 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 5 4.781 -3.655 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.219 -1.674 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.412 -2.757 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.711 -2.804 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.598 -2.469 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.936 -3.633 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.470 -4.191 2.713 1.00 0.00 H new ATOM 92 N LYS A 6 6.228 -5.309 -0.729 1.00 0.00 N ATOM 93 CA LYS A 6 7.640 -5.420 -1.117 1.00 0.00 C ATOM 94 C LYS A 6 8.259 -4.034 -1.019 1.00 0.00 C ATOM 95 O LYS A 6 7.792 -3.136 -1.714 1.00 0.00 O ATOM 96 CB LYS A 6 7.735 -6.011 -2.545 1.00 0.00 C ATOM 97 CG LYS A 6 9.081 -5.797 -3.265 1.00 0.00 C ATOM 98 CD LYS A 6 10.250 -6.516 -2.547 1.00 0.00 C ATOM 99 CE LYS A 6 11.663 -6.177 -3.051 1.00 0.00 C ATOM 100 NZ LYS A 6 11.945 -6.603 -4.441 1.00 0.00 N ATOM 0 H LYS A 6 5.609 -5.130 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 6 8.188 -6.093 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.539 -7.082 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.944 -5.573 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.006 -6.163 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.294 -4.730 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.198 -6.278 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.101 -7.592 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.810 -5.099 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.392 -6.643 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.917 -6.335 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.840 -7.635 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.277 -6.139 -5.089 1.00 0.00 H new ATOM 114 N THR A 7 9.297 -3.847 -0.207 1.00 0.00 N ATOM 115 CA THR A 7 10.078 -2.595 -0.211 1.00 0.00 C ATOM 116 C THR A 7 11.014 -2.436 -1.420 1.00 0.00 C ATOM 117 O THR A 7 10.976 -3.247 -2.340 1.00 0.00 O ATOM 118 CB THR A 7 10.782 -2.330 1.135 1.00 0.00 C ATOM 119 OG1 THR A 7 12.064 -2.910 1.143 1.00 0.00 O ATOM 120 CG2 THR A 7 10.041 -2.813 2.382 1.00 0.00 C ATOM 0 H THR A 7 9.623 -4.542 0.465 1.00 0.00 H new ATOM 0 HA THR A 7 9.338 -1.804 -0.334 1.00 0.00 H new ATOM 0 HB THR A 7 10.818 -1.242 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.045 -3.752 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.628 -2.574 3.269 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.072 -2.318 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.895 -3.892 2.323 1.00 0.00 H new ATOM 128 N LEU A 8 11.875 -1.413 -1.448 1.00 0.00 N ATOM 129 CA LEU A 8 12.954 -1.347 -2.446 1.00 0.00 C ATOM 130 C LEU A 8 14.055 -2.405 -2.193 1.00 0.00 C ATOM 131 O LEU A 8 14.708 -2.842 -3.141 1.00 0.00 O ATOM 132 CB LEU A 8 13.515 0.085 -2.518 1.00 0.00 C ATOM 133 CG LEU A 8 12.454 1.114 -2.975 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.942 1.956 -1.802 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.024 2.073 -4.022 1.00 0.00 C ATOM 0 H LEU A 8 11.849 -0.626 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 8 12.534 -1.594 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.897 0.372 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.359 0.107 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 8 11.635 0.535 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.199 2.667 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.488 1.303 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.774 2.497 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.254 2.783 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.870 2.613 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.355 1.507 -4.893 1.00 0.00 H new ATOM 147 N THR A 9 14.220 -2.866 -0.948 1.00 0.00 N ATOM 148 CA THR A 9 15.020 -4.046 -0.566 1.00 0.00 C ATOM 149 C THR A 9 14.209 -5.342 -0.437 1.00 0.00 C ATOM 150 O THR A 9 12.978 -5.303 -0.422 1.00 0.00 O ATOM 151 CB THR A 9 15.982 -3.793 0.618 1.00 0.00 C ATOM 152 OG1 THR A 9 15.398 -4.181 1.837 1.00 0.00 O ATOM 153 CG2 THR A 9 16.432 -2.339 0.775 1.00 0.00 C ATOM 0 H THR A 9 13.785 -2.413 -0.144 1.00 0.00 H new ATOM 0 HA THR A 9 15.671 -4.218 -1.423 1.00 0.00 H new ATOM 0 HB THR A 9 16.858 -4.395 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.027 -4.012 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.104 -2.256 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.953 -2.020 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.561 -1.704 0.935 1.00 0.00 H new ATOM 161 N GLY A 10 14.874 -6.499 -0.322 1.00 0.00 N ATOM 162 CA GLY A 10 14.247 -7.830 -0.227 1.00 0.00 C ATOM 163 C GLY A 10 13.375 -8.101 1.015 1.00 0.00 C ATOM 164 O GLY A 10 12.910 -9.227 1.190 1.00 0.00 O ATOM 0 H GLY A 10 15.893 -6.539 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.631 -7.979 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.037 -8.580 -0.258 1.00 0.00 H new ATOM 168 N LYS A 11 13.141 -7.102 1.875 1.00 0.00 N ATOM 169 CA LYS A 11 12.184 -7.160 2.993 1.00 0.00 C ATOM 170 C LYS A 11 10.726 -7.156 2.508 1.00 0.00 C ATOM 171 O LYS A 11 10.333 -6.342 1.666 1.00 0.00 O ATOM 172 CB LYS A 11 12.444 -6.000 3.978 1.00 0.00 C ATOM 173 CG LYS A 11 13.429 -6.349 5.113 1.00 0.00 C ATOM 174 CD LYS A 11 12.711 -6.770 6.410 1.00 0.00 C ATOM 175 CE LYS A 11 13.711 -7.030 7.548 1.00 0.00 C ATOM 176 NZ LYS A 11 13.036 -7.095 8.869 1.00 0.00 N ATOM 0 H LYS A 11 13.624 -6.206 1.813 1.00 0.00 H new ATOM 0 HA LYS A 11 12.340 -8.105 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.833 -5.146 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.496 -5.690 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.084 -7.157 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.064 -5.487 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.012 -5.990 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.124 -7.670 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.238 -7.966 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.461 -6.239 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.742 -7.272 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.554 -6.193 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.338 -7.866 8.865 1.00 0.00 H new ATOM 190 N THR A 12 9.925 -8.018 3.131 1.00 0.00 N ATOM 191 CA THR A 12 8.468 -8.134 2.958 1.00 0.00 C ATOM 192 C THR A 12 7.679 -7.716 4.196 1.00 0.00 C ATOM 193 O THR A 12 7.694 -8.410 5.210 1.00 0.00 O ATOM 194 CB THR A 12 8.042 -9.528 2.463 1.00 0.00 C ATOM 195 OG1 THR A 12 8.929 -10.003 1.480 1.00 0.00 O ATOM 196 CG2 THR A 12 6.638 -9.531 1.868 1.00 0.00 C ATOM 0 H THR A 12 10.288 -8.691 3.806 1.00 0.00 H new ATOM 0 HA THR A 12 8.215 -7.420 2.174 1.00 0.00 H new ATOM 0 HB THR A 12 8.057 -10.175 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.641 -10.891 1.181 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.386 -10.538 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.922 -9.210 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.601 -8.848 1.020 1.00 0.00 H new ATOM 204 N ILE A 13 7.003 -6.572 4.126 1.00 0.00 N ATOM 205 CA ILE A 13 6.180 -6.032 5.215 1.00 0.00 C ATOM 206 C ILE A 13 4.872 -6.819 5.309 1.00 0.00 C ATOM 207 O ILE A 13 4.262 -7.110 4.281 1.00 0.00 O ATOM 208 CB ILE A 13 5.885 -4.533 4.995 1.00 0.00 C ATOM 209 CG1 ILE A 13 7.114 -3.716 4.543 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.227 -3.910 6.240 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.280 -3.693 5.544 1.00 0.00 C ATOM 0 H ILE A 13 7.009 -5.979 3.296 1.00 0.00 H new ATOM 0 HA ILE A 13 6.732 -6.133 6.150 1.00 0.00 H new ATOM 0 HB ILE A 13 5.179 -4.486 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.474 -4.122 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.799 -2.690 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.030 -2.854 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.289 -4.423 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.896 -4.012 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.096 -3.095 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.943 -3.257 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.629 -4.711 5.720 1.00 0.00 H new ATOM 223 N THR A 14 4.416 -7.109 6.528 1.00 0.00 N ATOM 224 CA THR A 14 3.149 -7.809 6.803 1.00 0.00 C ATOM 225 C THR A 14 2.111 -6.904 7.467 1.00 0.00 C ATOM 226 O THR A 14 2.413 -6.265 8.475 1.00 0.00 O ATOM 227 CB THR A 14 3.393 -9.077 7.634 1.00 0.00 C ATOM 228 OG1 THR A 14 4.412 -9.853 7.047 1.00 0.00 O ATOM 229 CG2 THR A 14 2.152 -9.957 7.744 1.00 0.00 C ATOM 0 H THR A 14 4.926 -6.860 7.376 1.00 0.00 H new ATOM 0 HA THR A 14 2.734 -8.104 5.839 1.00 0.00 H new ATOM 0 HB THR A 14 3.674 -8.737 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.130 -10.143 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.383 -10.839 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.349 -9.395 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.836 -10.267 6.748 1.00 0.00 H new ATOM 237 N LEU A 15 0.891 -6.851 6.922 1.00 0.00 N ATOM 238 CA LEU A 15 -0.199 -5.991 7.404 1.00 0.00 C ATOM 239 C LEU A 15 -1.457 -6.787 7.775 1.00 0.00 C ATOM 240 O LEU A 15 -1.680 -7.904 7.309 1.00 0.00 O ATOM 241 CB LEU A 15 -0.511 -4.898 6.365 1.00 0.00 C ATOM 242 CG LEU A 15 0.656 -3.937 6.078 1.00 0.00 C ATOM 243 CD1 LEU A 15 0.298 -3.027 4.904 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.997 -3.057 7.285 1.00 0.00 C ATOM 0 H LEU A 15 0.626 -7.417 6.116 1.00 0.00 H new ATOM 0 HA LEU A 15 0.141 -5.514 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.809 -5.376 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.366 -4.318 6.713 1.00 0.00 H new ATOM 0 HG LEU A 15 1.525 -4.552 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.127 -2.348 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.104 -3.634 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.593 -2.449 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.827 -2.397 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.127 -2.459 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.280 -3.688 8.127 1.00 0.00 H new ATOM 256 N GLU A 16 -2.278 -6.176 8.630 1.00 0.00 N ATOM 257 CA GLU A 16 -3.381 -6.815 9.360 1.00 0.00 C ATOM 258 C GLU A 16 -4.675 -5.996 9.167 1.00 0.00 C ATOM 259 O GLU A 16 -4.875 -4.945 9.783 1.00 0.00 O ATOM 260 CB GLU A 16 -2.920 -6.969 10.826 1.00 0.00 C ATOM 261 CG GLU A 16 -3.794 -7.885 11.698 1.00 0.00 C ATOM 262 CD GLU A 16 -3.061 -8.383 12.965 1.00 0.00 C ATOM 263 OE1 GLU A 16 -1.939 -7.906 13.282 1.00 0.00 O ATOM 264 OE2 GLU A 16 -3.540 -9.324 13.632 1.00 0.00 O ATOM 0 H GLU A 16 -2.192 -5.182 8.844 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.623 -7.809 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.901 -7.356 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.888 -5.981 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.695 -7.347 11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.114 -8.744 11.108 1.00 0.00 H new ATOM 271 N VAL A 17 -5.514 -6.434 8.218 1.00 0.00 N ATOM 272 CA VAL A 17 -6.637 -5.657 7.655 1.00 0.00 C ATOM 273 C VAL A 17 -7.931 -6.464 7.489 1.00 0.00 C ATOM 274 O VAL A 17 -7.917 -7.700 7.418 1.00 0.00 O ATOM 275 CB VAL A 17 -6.230 -4.911 6.355 1.00 0.00 C ATOM 276 CG1 VAL A 17 -4.848 -4.240 6.430 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.220 -5.819 5.117 1.00 0.00 C ATOM 0 H VAL A 17 -5.431 -7.364 7.807 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.874 -4.900 8.402 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.002 -4.148 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.635 -3.740 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.842 -3.508 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.086 -4.996 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.928 -5.238 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.509 -6.631 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.216 -6.233 4.961 1.00 0.00 H new ATOM 287 N GLU A 18 -9.069 -5.780 7.415 1.00 0.00 N ATOM 288 CA GLU A 18 -10.348 -6.374 7.011 1.00 0.00 C ATOM 289 C GLU A 18 -10.514 -6.325 5.477 1.00 0.00 C ATOM 290 O GLU A 18 -10.107 -5.347 4.860 1.00 0.00 O ATOM 291 CB GLU A 18 -11.510 -5.676 7.748 1.00 0.00 C ATOM 292 CG GLU A 18 -11.601 -6.140 9.216 1.00 0.00 C ATOM 293 CD GLU A 18 -11.846 -5.010 10.230 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.801 -4.210 10.073 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.110 -4.963 11.246 1.00 0.00 O ATOM 0 H GLU A 18 -9.134 -4.786 7.636 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.361 -7.426 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.369 -4.596 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.449 -5.891 7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.406 -6.870 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.676 -6.653 9.479 1.00 0.00 H new ATOM 302 N PRO A 19 -11.140 -7.317 4.810 1.00 0.00 N ATOM 303 CA PRO A 19 -11.428 -7.230 3.365 1.00 0.00 C ATOM 304 C PRO A 19 -12.407 -6.093 3.014 1.00 0.00 C ATOM 305 O PRO A 19 -12.485 -5.689 1.856 1.00 0.00 O ATOM 306 CB PRO A 19 -11.997 -8.603 2.996 1.00 0.00 C ATOM 307 CG PRO A 19 -12.648 -9.083 4.294 1.00 0.00 C ATOM 308 CD PRO A 19 -11.718 -8.526 5.375 1.00 0.00 C ATOM 0 HA PRO A 19 -10.528 -6.989 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.723 -8.532 2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.215 -9.285 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.664 -8.702 4.401 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.709 -10.170 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.268 -8.307 6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.943 -9.247 5.634 1.00 0.00 H new ATOM 316 N SER A 20 -13.127 -5.576 4.016 1.00 0.00 N ATOM 317 CA SER A 20 -13.981 -4.389 3.929 1.00 0.00 C ATOM 318 C SER A 20 -13.232 -3.071 4.193 1.00 0.00 C ATOM 319 O SER A 20 -13.863 -2.016 4.170 1.00 0.00 O ATOM 320 CB SER A 20 -15.150 -4.544 4.909 1.00 0.00 C ATOM 321 OG SER A 20 -16.134 -3.561 4.672 1.00 0.00 O ATOM 0 H SER A 20 -13.130 -5.991 4.948 1.00 0.00 H new ATOM 0 HA SER A 20 -14.343 -4.324 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.588 -5.537 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.786 -4.461 5.933 1.00 0.00 H new ATOM 0 HG SER A 20 -15.701 -2.721 4.411 1.00 0.00 H new ATOM 327 N ASP A 21 -11.922 -3.092 4.474 1.00 0.00 N ATOM 328 CA ASP A 21 -11.119 -1.867 4.485 1.00 0.00 C ATOM 329 C ASP A 21 -11.092 -1.113 3.146 1.00 0.00 C ATOM 330 O ASP A 21 -10.947 -1.692 2.064 1.00 0.00 O ATOM 331 CB ASP A 21 -9.708 -2.066 5.078 1.00 0.00 C ATOM 332 CG ASP A 21 -9.626 -2.035 6.611 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.165 -1.070 7.192 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.945 -2.895 7.216 1.00 0.00 O ATOM 0 H ASP A 21 -11.400 -3.940 4.695 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.651 -1.208 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.318 -3.022 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.053 -1.291 4.681 1.00 0.00 H new ATOM 339 N THR A 22 -11.242 0.206 3.224 1.00 0.00 N ATOM 340 CA THR A 22 -10.979 1.122 2.114 1.00 0.00 C ATOM 341 C THR A 22 -9.493 1.281 1.765 1.00 0.00 C ATOM 342 O THR A 22 -8.608 1.020 2.588 1.00 0.00 O ATOM 343 CB THR A 22 -11.693 2.474 2.267 1.00 0.00 C ATOM 344 OG1 THR A 22 -10.861 3.329 2.997 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.055 2.439 2.958 1.00 0.00 C ATOM 0 H THR A 22 -11.555 0.678 4.073 1.00 0.00 H new ATOM 0 HA THR A 22 -11.424 0.631 1.248 1.00 0.00 H new ATOM 0 HB THR A 22 -11.888 2.813 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.047 3.228 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.463 3.448 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.734 1.801 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.941 2.042 3.967 1.00 0.00 H new ATOM 353 N ILE A 23 -9.192 1.771 0.563 1.00 0.00 N ATOM 354 CA ILE A 23 -7.819 2.113 0.180 1.00 0.00 C ATOM 355 C ILE A 23 -7.244 3.224 1.083 1.00 0.00 C ATOM 356 O ILE A 23 -6.058 3.174 1.411 1.00 0.00 O ATOM 357 CB ILE A 23 -7.764 2.469 -1.323 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.165 1.301 -2.252 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.369 2.967 -1.726 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.549 -0.069 -1.925 1.00 0.00 C ATOM 0 H ILE A 23 -9.883 1.941 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.179 1.244 0.333 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.500 3.262 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.250 1.203 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.890 1.565 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.362 3.209 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.120 3.858 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.633 2.188 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.903 -0.808 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.462 -0.002 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.844 -0.370 -0.920 1.00 0.00 H new ATOM 372 N GLU A 24 -8.059 4.176 1.555 1.00 0.00 N ATOM 373 CA GLU A 24 -7.653 5.177 2.564 1.00 0.00 C ATOM 374 C GLU A 24 -7.485 4.596 3.987 1.00 0.00 C ATOM 375 O GLU A 24 -6.486 4.905 4.640 1.00 0.00 O ATOM 376 CB GLU A 24 -8.543 6.445 2.502 1.00 0.00 C ATOM 377 CG GLU A 24 -10.059 6.231 2.341 1.00 0.00 C ATOM 378 CD GLU A 24 -10.822 7.488 1.896 1.00 0.00 C ATOM 379 OE1 GLU A 24 -10.567 8.594 2.427 1.00 0.00 O ATOM 380 OE2 GLU A 24 -11.698 7.344 1.009 1.00 0.00 O ATOM 0 H GLU A 24 -9.026 4.278 1.249 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.646 5.497 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.377 7.019 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.198 7.060 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.229 5.438 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.470 5.885 3.290 1.00 0.00 H new ATOM 387 N ASN A 25 -8.325 3.637 4.415 1.00 0.00 N ATOM 388 CA ASN A 25 -8.158 2.878 5.659 1.00 0.00 C ATOM 389 C ASN A 25 -6.776 2.223 5.781 1.00 0.00 C ATOM 390 O ASN A 25 -6.066 2.382 6.774 1.00 0.00 O ATOM 391 CB ASN A 25 -9.230 1.790 5.812 1.00 0.00 C ATOM 392 CG ASN A 25 -10.622 2.278 6.170 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.122 3.295 5.728 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.339 1.486 6.911 1.00 0.00 N ATOM 0 H ASN A 25 -9.157 3.365 3.891 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.263 3.614 6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.290 1.232 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.903 1.090 6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.310 1.720 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.930 0.630 7.287 1.00 0.00 H new ATOM 401 N VAL A 26 -6.385 1.454 4.765 1.00 0.00 N ATOM 402 CA VAL A 26 -5.097 0.734 4.757 1.00 0.00 C ATOM 403 C VAL A 26 -3.920 1.703 4.652 1.00 0.00 C ATOM 404 O VAL A 26 -2.912 1.523 5.340 1.00 0.00 O ATOM 405 CB VAL A 26 -5.045 -0.307 3.633 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.721 -1.086 3.616 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.180 -1.319 3.814 1.00 0.00 C ATOM 0 H VAL A 26 -6.944 1.308 3.925 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.015 0.206 5.707 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.142 0.239 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.735 -1.810 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.893 -0.393 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.594 -1.609 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.140 -2.058 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.071 -1.820 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.138 -0.801 3.782 1.00 0.00 H new ATOM 417 N LYS A 27 -4.060 2.776 3.861 1.00 0.00 N ATOM 418 CA LYS A 27 -3.062 3.855 3.770 1.00 0.00 C ATOM 419 C LYS A 27 -2.902 4.675 5.055 1.00 0.00 C ATOM 420 O LYS A 27 -1.892 5.363 5.163 1.00 0.00 O ATOM 421 CB LYS A 27 -3.348 4.734 2.540 1.00 0.00 C ATOM 422 CG LYS A 27 -2.609 4.188 1.298 1.00 0.00 C ATOM 423 CD LYS A 27 -3.312 4.345 -0.062 1.00 0.00 C ATOM 424 CE LYS A 27 -4.069 5.670 -0.220 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.289 6.039 -1.640 1.00 0.00 N ATOM 0 H LYS A 27 -4.873 2.922 3.262 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.091 3.377 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.421 4.763 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.032 5.758 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.640 4.683 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.416 3.127 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.569 4.265 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.011 3.520 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.032 5.596 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.510 6.464 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.237 6.454 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.572 6.733 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.213 5.190 -2.235 1.00 0.00 H new ATOM 439 N ALA A 28 -3.800 4.531 6.035 1.00 0.00 N ATOM 440 CA ALA A 28 -3.590 4.963 7.424 1.00 0.00 C ATOM 441 C ALA A 28 -3.014 3.839 8.320 1.00 0.00 C ATOM 442 O ALA A 28 -1.978 4.023 8.965 1.00 0.00 O ATOM 443 CB ALA A 28 -4.913 5.512 7.974 1.00 0.00 C ATOM 0 H ALA A 28 -4.713 4.102 5.883 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.837 5.751 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.772 5.837 9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.236 6.359 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.673 4.731 7.940 1.00 0.00 H new ATOM 449 N LYS A 29 -3.619 2.635 8.316 1.00 0.00 N ATOM 450 CA LYS A 29 -3.161 1.460 9.098 1.00 0.00 C ATOM 451 C LYS A 29 -1.674 1.134 8.910 1.00 0.00 C ATOM 452 O LYS A 29 -1.016 0.681 9.842 1.00 0.00 O ATOM 453 CB LYS A 29 -3.998 0.213 8.748 1.00 0.00 C ATOM 454 CG LYS A 29 -5.374 0.153 9.429 1.00 0.00 C ATOM 455 CD LYS A 29 -6.232 -0.974 8.822 1.00 0.00 C ATOM 456 CE LYS A 29 -7.430 -1.399 9.687 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.048 -2.335 10.778 1.00 0.00 N ATOM 0 H LYS A 29 -4.454 2.444 7.762 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.302 1.734 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.140 0.179 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.432 -0.677 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.249 -0.014 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.885 1.109 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.600 -0.649 7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.598 -1.844 8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.893 -0.512 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.180 -1.873 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.893 -2.589 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.631 -3.195 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.353 -1.877 11.401 1.00 0.00 H new ATOM 471 N ILE A 30 -1.134 1.375 7.714 1.00 0.00 N ATOM 472 CA ILE A 30 0.277 1.115 7.396 1.00 0.00 C ATOM 473 C ILE A 30 1.256 1.969 8.228 1.00 0.00 C ATOM 474 O ILE A 30 2.359 1.501 8.529 1.00 0.00 O ATOM 475 CB ILE A 30 0.501 1.288 5.879 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.830 0.617 5.486 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.474 2.755 5.434 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.018 0.493 3.968 1.00 0.00 C ATOM 0 H ILE A 30 -1.664 1.759 6.932 1.00 0.00 H new ATOM 0 HA ILE A 30 0.498 0.084 7.674 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.327 0.804 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.657 1.192 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.875 -0.376 5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.637 2.812 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.495 3.191 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.260 3.306 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.973 0.012 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.210 -0.107 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.004 1.485 3.517 1.00 0.00 H new ATOM 490 N GLN A 31 0.884 3.190 8.642 1.00 0.00 N ATOM 491 CA GLN A 31 1.708 3.972 9.567 1.00 0.00 C ATOM 492 C GLN A 31 1.618 3.446 11.007 1.00 0.00 C ATOM 493 O GLN A 31 2.641 3.314 11.670 1.00 0.00 O ATOM 494 CB GLN A 31 1.354 5.467 9.523 1.00 0.00 C ATOM 495 CG GLN A 31 1.759 6.158 8.209 1.00 0.00 C ATOM 496 CD GLN A 31 0.590 6.332 7.247 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.452 6.860 7.586 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.716 5.917 6.008 1.00 0.00 N ATOM 0 H GLN A 31 0.023 3.652 8.351 1.00 0.00 H new ATOM 0 HA GLN A 31 2.738 3.855 9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.280 5.582 9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.844 5.972 10.355 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.186 7.135 8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.540 5.573 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.582 5.472 5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.052 6.040 5.348 1.00 0.00 H new ATOM 507 N ASP A 32 0.413 3.096 11.463 1.00 0.00 N ATOM 508 CA ASP A 32 0.155 2.551 12.805 1.00 0.00 C ATOM 509 C ASP A 32 0.770 1.169 13.110 1.00 0.00 C ATOM 510 O ASP A 32 1.211 0.909 14.233 1.00 0.00 O ATOM 511 CB ASP A 32 -1.345 2.731 13.129 1.00 0.00 C ATOM 512 CG ASP A 32 -1.930 1.880 14.263 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.908 0.636 14.159 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.539 2.470 15.190 1.00 0.00 O ATOM 0 H ASP A 32 -0.432 3.184 10.899 1.00 0.00 H new ATOM 0 HA ASP A 32 0.723 3.136 13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.513 3.780 13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.913 2.520 12.223 1.00 0.00 H new ATOM 519 N LYS A 33 0.865 0.307 12.086 1.00 0.00 N ATOM 520 CA LYS A 33 1.459 -1.037 12.192 1.00 0.00 C ATOM 521 C LYS A 33 2.982 -1.016 12.030 1.00 0.00 C ATOM 522 O LYS A 33 3.668 -1.671 12.809 1.00 0.00 O ATOM 523 CB LYS A 33 0.777 -1.968 11.167 1.00 0.00 C ATOM 524 CG LYS A 33 0.678 -3.439 11.622 1.00 0.00 C ATOM 525 CD LYS A 33 1.966 -4.257 11.432 1.00 0.00 C ATOM 526 CE LYS A 33 1.860 -5.692 11.963 1.00 0.00 C ATOM 527 NZ LYS A 33 1.700 -5.737 13.438 1.00 0.00 N ATOM 0 H LYS A 33 0.527 0.525 11.149 1.00 0.00 H new ATOM 0 HA LYS A 33 1.281 -1.422 13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.226 -1.594 10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.330 -1.925 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.401 -3.461 12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.128 -3.922 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.215 -4.287 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.788 -3.750 11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.012 -6.189 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.753 -6.249 11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.769 -6.722 13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.449 -5.171 13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.770 -5.350 13.698 1.00 0.00 H new ATOM 541 N GLU A 34 3.521 -0.322 11.024 1.00 0.00 N ATOM 542 CA GLU A 34 4.971 -0.378 10.693 1.00 0.00 C ATOM 543 C GLU A 34 5.648 0.991 10.500 1.00 0.00 C ATOM 544 O GLU A 34 6.805 1.144 10.887 1.00 0.00 O ATOM 545 CB GLU A 34 5.156 -1.243 9.429 1.00 0.00 C ATOM 546 CG GLU A 34 6.609 -1.570 9.029 1.00 0.00 C ATOM 547 CD GLU A 34 7.304 -2.606 9.940 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.710 -3.042 10.954 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.441 -3.031 9.621 1.00 0.00 O ATOM 0 H GLU A 34 2.982 0.292 10.414 1.00 0.00 H new ATOM 0 HA GLU A 34 5.468 -0.817 11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.623 -2.182 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.678 -0.733 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.616 -1.943 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.191 -0.649 9.037 1.00 0.00 H new ATOM 556 N GLY A 35 4.956 1.985 9.922 1.00 0.00 N ATOM 557 CA GLY A 35 5.484 3.350 9.767 1.00 0.00 C ATOM 558 C GLY A 35 5.929 3.732 8.350 1.00 0.00 C ATOM 559 O GLY A 35 7.013 4.288 8.189 1.00 0.00 O ATOM 0 H GLY A 35 4.014 1.865 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.718 4.055 10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.333 3.470 10.440 1.00 0.00 H new ATOM 563 N ILE A 36 5.111 3.454 7.323 1.00 0.00 N ATOM 564 CA ILE A 36 5.361 3.888 5.931 1.00 0.00 C ATOM 565 C ILE A 36 4.486 5.118 5.590 1.00 0.00 C ATOM 566 O ILE A 36 3.314 4.933 5.248 1.00 0.00 O ATOM 567 CB ILE A 36 5.172 2.706 4.942 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.050 1.503 5.378 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.506 3.131 3.500 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.135 0.338 4.385 1.00 0.00 C ATOM 0 H ILE A 36 4.250 2.918 7.431 1.00 0.00 H new ATOM 0 HA ILE A 36 6.400 4.203 5.830 1.00 0.00 H new ATOM 0 HB ILE A 36 4.125 2.403 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.060 1.866 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.665 1.121 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.365 2.284 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.847 3.946 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.542 3.465 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.774 -0.444 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.137 -0.064 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.554 0.692 3.443 1.00 0.00 H new ATOM 582 N PRO A 37 4.988 6.366 5.711 1.00 0.00 N ATOM 583 CA PRO A 37 4.206 7.595 5.500 1.00 0.00 C ATOM 584 C PRO A 37 4.087 8.026 4.020 1.00 0.00 C ATOM 585 O PRO A 37 4.952 7.689 3.204 1.00 0.00 O ATOM 586 CB PRO A 37 4.943 8.666 6.310 1.00 0.00 C ATOM 587 CG PRO A 37 6.402 8.243 6.174 1.00 0.00 C ATOM 588 CD PRO A 37 6.300 6.720 6.243 1.00 0.00 C ATOM 0 HA PRO A 37 3.174 7.437 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.772 9.665 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.621 8.680 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.838 8.580 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.020 8.647 6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.094 6.252 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.409 6.370 7.270 1.00 0.00 H new ATOM 596 N PRO A 38 3.068 8.830 3.651 1.00 0.00 N ATOM 597 CA PRO A 38 2.889 9.321 2.282 1.00 0.00 C ATOM 598 C PRO A 38 3.948 10.352 1.836 1.00 0.00 C ATOM 599 O PRO A 38 4.141 10.531 0.634 1.00 0.00 O ATOM 600 CB PRO A 38 1.486 9.937 2.266 1.00 0.00 C ATOM 601 CG PRO A 38 1.299 10.424 3.702 1.00 0.00 C ATOM 602 CD PRO A 38 2.016 9.347 4.516 1.00 0.00 C ATOM 0 HA PRO A 38 3.009 8.501 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.415 10.757 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.728 9.204 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.739 11.409 3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.245 10.500 3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.433 9.763 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.327 8.555 4.810 1.00 0.00 H new ATOM 610 N ASP A 39 4.652 11.002 2.774 1.00 0.00 N ATOM 611 CA ASP A 39 5.653 12.050 2.505 1.00 0.00 C ATOM 612 C ASP A 39 6.911 11.509 1.788 1.00 0.00 C ATOM 613 O ASP A 39 7.729 12.291 1.309 1.00 0.00 O ATOM 614 CB ASP A 39 6.105 12.687 3.835 1.00 0.00 C ATOM 615 CG ASP A 39 4.984 13.059 4.805 1.00 0.00 C ATOM 616 OD1 ASP A 39 4.455 12.124 5.447 1.00 0.00 O ATOM 617 OD2 ASP A 39 4.676 14.260 4.991 1.00 0.00 O ATOM 0 H ASP A 39 4.539 10.809 3.769 1.00 0.00 H new ATOM 0 HA ASP A 39 5.172 12.778 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.781 11.995 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.679 13.586 3.610 1.00 0.00 H new ATOM 622 N GLN A 40 7.101 10.185 1.725 1.00 0.00 N ATOM 623 CA GLN A 40 8.370 9.555 1.317 1.00 0.00 C ATOM 624 C GLN A 40 8.210 8.459 0.244 1.00 0.00 C ATOM 625 O GLN A 40 9.114 8.225 -0.557 1.00 0.00 O ATOM 626 CB GLN A 40 9.013 8.980 2.597 1.00 0.00 C ATOM 627 CG GLN A 40 10.504 8.617 2.465 1.00 0.00 C ATOM 628 CD GLN A 40 11.435 9.833 2.477 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.105 10.910 2.955 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.644 9.718 1.973 1.00 0.00 N ATOM 0 H GLN A 40 6.372 9.511 1.958 1.00 0.00 H new ATOM 0 HA GLN A 40 9.000 10.309 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.901 9.707 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.462 8.088 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.781 7.950 3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.654 8.064 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.946 8.832 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.280 10.515 1.987 1.00 0.00 H new ATOM 639 N ASN A 41 7.079 7.749 0.221 1.00 0.00 N ATOM 640 CA ASN A 41 6.921 6.483 -0.504 1.00 0.00 C ATOM 641 C ASN A 41 5.430 6.105 -0.706 1.00 0.00 C ATOM 642 O ASN A 41 4.581 6.611 0.029 1.00 0.00 O ATOM 643 CB ASN A 41 7.747 5.374 0.198 1.00 0.00 C ATOM 644 CG ASN A 41 7.896 5.411 1.712 1.00 0.00 C ATOM 645 OD1 ASN A 41 8.929 5.052 2.244 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.921 5.839 2.472 1.00 0.00 N ATOM 0 H ASN A 41 6.234 8.041 0.712 1.00 0.00 H new ATOM 0 HA ASN A 41 7.317 6.602 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.301 4.415 -0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.749 5.388 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.038 5.866 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.044 6.146 2.052 1.00 0.00 H new ATOM 653 N ARG A 42 5.079 5.256 -1.692 1.00 0.00 N ATOM 654 CA ARG A 42 3.696 5.098 -2.197 1.00 0.00 C ATOM 655 C ARG A 42 3.436 3.689 -2.759 1.00 0.00 C ATOM 656 O ARG A 42 4.268 3.138 -3.474 1.00 0.00 O ATOM 657 CB ARG A 42 3.460 6.211 -3.240 1.00 0.00 C ATOM 658 CG ARG A 42 1.997 6.413 -3.673 1.00 0.00 C ATOM 659 CD ARG A 42 1.887 7.734 -4.452 1.00 0.00 C ATOM 660 NE ARG A 42 0.516 8.023 -4.916 1.00 0.00 N ATOM 661 CZ ARG A 42 -0.300 8.974 -4.499 1.00 0.00 C ATOM 662 NH1 ARG A 42 -0.102 9.628 -3.390 1.00 0.00 N ATOM 663 NH2 ARG A 42 -1.335 9.281 -5.222 1.00 0.00 N ATOM 0 H ARG A 42 5.752 4.654 -2.166 1.00 0.00 H new ATOM 0 HA ARG A 42 2.982 5.200 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.834 7.151 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.055 5.988 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.669 5.580 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.345 6.435 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.229 8.552 -3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.555 7.697 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 42 0.154 7.413 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.708 9.412 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.757 10.356 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.508 8.790 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.974 10.013 -4.913 1.00 0.00 H new ATOM 677 N LEU A 43 2.297 3.087 -2.402 1.00 0.00 N ATOM 678 CA LEU A 43 1.974 1.677 -2.689 1.00 0.00 C ATOM 679 C LEU A 43 1.584 1.415 -4.152 1.00 0.00 C ATOM 680 O LEU A 43 0.743 2.127 -4.705 1.00 0.00 O ATOM 681 CB LEU A 43 0.822 1.208 -1.776 1.00 0.00 C ATOM 682 CG LEU A 43 1.143 1.178 -0.272 1.00 0.00 C ATOM 683 CD1 LEU A 43 -0.140 0.933 0.521 1.00 0.00 C ATOM 684 CD2 LEU A 43 2.135 0.067 0.070 1.00 0.00 C ATOM 0 H LEU A 43 1.556 3.572 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 43 2.887 1.114 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.034 1.863 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.520 0.208 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 43 1.585 2.140 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.089 0.912 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.851 1.734 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.574 -0.022 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.337 0.077 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.712 -0.898 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.064 0.228 -0.476 1.00 0.00 H new ATOM 696 N ILE A 44 2.124 0.333 -4.723 1.00 0.00 N ATOM 697 CA ILE A 44 1.721 -0.221 -6.039 1.00 0.00 C ATOM 698 C ILE A 44 1.133 -1.649 -5.917 1.00 0.00 C ATOM 699 O ILE A 44 1.585 -2.445 -5.099 1.00 0.00 O ATOM 700 CB ILE A 44 2.934 -0.192 -7.007 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.612 1.194 -7.115 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.582 -0.703 -8.418 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.736 2.328 -7.670 1.00 0.00 C ATOM 0 H ILE A 44 2.872 -0.201 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 44 0.925 0.405 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 44 3.651 -0.877 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.963 1.484 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.493 1.098 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.468 -0.660 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.230 -1.733 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.799 -0.078 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.313 3.252 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.405 2.073 -8.677 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.867 2.465 -7.026 1.00 0.00 H new ATOM 715 N PHE A 45 0.177 -2.035 -6.768 1.00 0.00 N ATOM 716 CA PHE A 45 -0.302 -3.425 -6.906 1.00 0.00 C ATOM 717 C PHE A 45 -0.477 -3.942 -8.347 1.00 0.00 C ATOM 718 O PHE A 45 -1.144 -3.300 -9.150 1.00 0.00 O ATOM 719 CB PHE A 45 -1.488 -3.699 -5.973 1.00 0.00 C ATOM 720 CG PHE A 45 -2.257 -4.977 -6.253 1.00 0.00 C ATOM 721 CD1 PHE A 45 -1.800 -6.201 -5.730 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.428 -4.948 -7.033 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.515 -7.386 -5.983 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.145 -6.132 -7.276 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.691 -7.352 -6.749 1.00 0.00 C ATOM 0 H PHE A 45 -0.297 -1.384 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 45 0.522 -4.051 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.121 -3.734 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.179 -2.858 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.900 -6.231 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.777 -4.013 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.158 -8.325 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.047 -6.104 -7.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.245 -8.261 -6.932 1.00 0.00 H new ATOM 735 N ALA A 46 0.173 -5.060 -8.706 1.00 0.00 N ATOM 736 CA ALA A 46 0.229 -5.611 -10.078 1.00 0.00 C ATOM 737 C ALA A 46 0.688 -4.612 -11.180 1.00 0.00 C ATOM 738 O ALA A 46 0.446 -4.813 -12.372 1.00 0.00 O ATOM 739 CB ALA A 46 -1.096 -6.322 -10.394 1.00 0.00 C ATOM 0 H ALA A 46 0.691 -5.626 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 46 1.035 -6.345 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.058 -6.729 -11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.253 -7.132 -9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.918 -5.610 -10.320 1.00 0.00 H new ATOM 745 N GLY A 47 1.359 -3.525 -10.774 1.00 0.00 N ATOM 746 CA GLY A 47 1.742 -2.378 -11.609 1.00 0.00 C ATOM 747 C GLY A 47 0.787 -1.176 -11.525 1.00 0.00 C ATOM 748 O GLY A 47 1.206 -0.055 -11.803 1.00 0.00 O ATOM 0 H GLY A 47 1.664 -3.417 -9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.741 -2.052 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.802 -2.705 -12.647 1.00 0.00 H new ATOM 752 N LYS A 48 -0.463 -1.370 -11.087 1.00 0.00 N ATOM 753 CA LYS A 48 -1.472 -0.310 -10.932 1.00 0.00 C ATOM 754 C LYS A 48 -1.277 0.451 -9.610 1.00 0.00 C ATOM 755 O LYS A 48 -0.881 -0.120 -8.593 1.00 0.00 O ATOM 756 CB LYS A 48 -2.882 -0.936 -11.051 1.00 0.00 C ATOM 757 CG LYS A 48 -3.878 -0.004 -11.764 1.00 0.00 C ATOM 758 CD LYS A 48 -5.196 -0.721 -12.113 1.00 0.00 C ATOM 759 CE LYS A 48 -6.009 0.113 -13.114 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.211 -0.606 -13.590 1.00 0.00 N ATOM 0 H LYS A 48 -0.812 -2.292 -10.823 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.356 0.428 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.814 -1.877 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.258 -1.171 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.091 0.854 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.423 0.382 -12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.983 -1.703 -12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.780 -0.884 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.309 1.050 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.380 0.370 -13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.730 -0.007 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.924 -1.488 -14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.825 -0.829 -12.781 1.00 0.00 H new ATOM 774 N GLN A 49 -1.560 1.751 -9.616 1.00 0.00 N ATOM 775 CA GLN A 49 -1.598 2.592 -8.409 1.00 0.00 C ATOM 776 C GLN A 49 -2.968 2.439 -7.708 1.00 0.00 C ATOM 777 O GLN A 49 -3.950 2.057 -8.341 1.00 0.00 O ATOM 778 CB GLN A 49 -1.290 4.040 -8.843 1.00 0.00 C ATOM 779 CG GLN A 49 -1.050 5.013 -7.677 1.00 0.00 C ATOM 780 CD GLN A 49 -0.706 6.447 -8.092 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.836 7.364 -7.294 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.168 6.705 -9.264 1.00 0.00 N ATOM 0 H GLN A 49 -1.774 2.264 -10.471 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.851 2.289 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.408 4.035 -9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.120 4.411 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.943 5.036 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.240 4.625 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.049 5.956 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.130 7.654 -9.490 1.00 0.00 H new ATOM 791 N LEU A 50 -3.045 2.744 -6.407 1.00 0.00 N ATOM 792 CA LEU A 50 -4.228 2.538 -5.557 1.00 0.00 C ATOM 793 C LEU A 50 -4.777 3.875 -5.026 1.00 0.00 C ATOM 794 O LEU A 50 -4.306 4.421 -4.021 1.00 0.00 O ATOM 795 CB LEU A 50 -3.886 1.549 -4.424 1.00 0.00 C ATOM 796 CG LEU A 50 -3.414 0.155 -4.888 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.104 -0.704 -3.661 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.472 -0.568 -5.720 1.00 0.00 C ATOM 0 H LEU A 50 -2.261 3.154 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.027 2.100 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.107 1.990 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.766 1.425 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.530 0.301 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.770 -1.690 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.319 -0.229 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.002 -0.806 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.093 -1.544 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.376 -0.699 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.703 0.022 -6.607 1.00 0.00 H new ATOM 810 N GLU A 51 -5.768 4.407 -5.736 1.00 0.00 N ATOM 811 CA GLU A 51 -6.506 5.631 -5.406 1.00 0.00 C ATOM 812 C GLU A 51 -7.643 5.344 -4.399 1.00 0.00 C ATOM 813 O GLU A 51 -8.207 4.249 -4.377 1.00 0.00 O ATOM 814 CB GLU A 51 -7.027 6.241 -6.721 1.00 0.00 C ATOM 815 CG GLU A 51 -7.299 7.754 -6.621 1.00 0.00 C ATOM 816 CD GLU A 51 -7.708 8.409 -7.958 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.377 7.764 -8.806 1.00 0.00 O ATOM 818 OE2 GLU A 51 -7.322 9.577 -8.194 1.00 0.00 O ATOM 0 H GLU A 51 -6.097 3.978 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.849 6.349 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.299 6.061 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.946 5.731 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.089 7.923 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.404 8.249 -6.244 1.00 0.00 H new ATOM 825 N ASP A 52 -7.929 6.333 -3.554 1.00 0.00 N ATOM 826 CA ASP A 52 -8.889 6.356 -2.439 1.00 0.00 C ATOM 827 C ASP A 52 -10.395 6.183 -2.777 1.00 0.00 C ATOM 828 O ASP A 52 -10.781 5.937 -3.921 1.00 0.00 O ATOM 829 CB ASP A 52 -8.541 7.501 -1.442 1.00 0.00 C ATOM 830 CG ASP A 52 -7.838 8.744 -2.037 1.00 0.00 C ATOM 831 OD1 ASP A 52 -6.732 8.563 -2.600 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.330 9.877 -1.853 1.00 0.00 O ATOM 0 H ASP A 52 -7.449 7.229 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.743 5.410 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.464 7.828 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.903 7.090 -0.660 1.00 0.00 H new ATOM 837 N GLY A 53 -11.267 6.210 -1.759 1.00 0.00 N ATOM 838 CA GLY A 53 -12.714 5.993 -1.880 1.00 0.00 C ATOM 839 C GLY A 53 -13.158 4.525 -1.970 1.00 0.00 C ATOM 840 O GLY A 53 -14.123 4.152 -1.298 1.00 0.00 O ATOM 0 H GLY A 53 -10.974 6.389 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.205 6.451 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.069 6.517 -2.767 1.00 0.00 H new ATOM 844 N ARG A 54 -12.479 3.690 -2.774 1.00 0.00 N ATOM 845 CA ARG A 54 -12.858 2.277 -3.024 1.00 0.00 C ATOM 846 C ARG A 54 -12.281 1.278 -2.004 1.00 0.00 C ATOM 847 O ARG A 54 -11.459 1.644 -1.163 1.00 0.00 O ATOM 848 CB ARG A 54 -12.550 1.908 -4.487 1.00 0.00 C ATOM 849 CG ARG A 54 -13.449 2.694 -5.465 1.00 0.00 C ATOM 850 CD ARG A 54 -13.771 1.929 -6.755 1.00 0.00 C ATOM 851 NE ARG A 54 -14.762 0.854 -6.531 1.00 0.00 N ATOM 852 CZ ARG A 54 -15.712 0.429 -7.348 1.00 0.00 C ATOM 853 NH1 ARG A 54 -15.963 1.001 -8.493 1.00 0.00 N ATOM 854 NH2 ARG A 54 -16.432 -0.611 -7.053 1.00 0.00 N ATOM 0 H ARG A 54 -11.639 3.975 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.934 2.194 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.503 2.117 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.698 0.838 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.382 2.950 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.958 3.632 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.153 2.624 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.855 1.499 -7.159 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.706 0.379 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.417 1.810 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.705 0.640 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.269 -1.113 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.160 -0.925 -7.694 1.00 0.00 H new ATOM 868 N THR A 55 -12.728 0.021 -2.057 1.00 0.00 N ATOM 869 CA THR A 55 -12.262 -1.091 -1.197 1.00 0.00 C ATOM 870 C THR A 55 -11.012 -1.849 -1.670 1.00 0.00 C ATOM 871 O THR A 55 -10.559 -1.699 -2.803 1.00 0.00 O ATOM 872 CB THR A 55 -13.390 -2.069 -0.811 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.482 -3.062 -1.798 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.775 -1.446 -0.638 1.00 0.00 C ATOM 0 H THR A 55 -13.448 -0.270 -2.718 1.00 0.00 H new ATOM 0 HA THR A 55 -11.936 -0.562 -0.301 1.00 0.00 H new ATOM 0 HB THR A 55 -13.110 -2.458 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.716 -3.917 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.492 -2.221 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.740 -0.694 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.083 -0.978 -1.573 1.00 0.00 H new ATOM 882 N LEU A 56 -10.470 -2.726 -0.819 1.00 0.00 N ATOM 883 CA LEU A 56 -9.505 -3.757 -1.234 1.00 0.00 C ATOM 884 C LEU A 56 -10.100 -4.753 -2.247 1.00 0.00 C ATOM 885 O LEU A 56 -9.512 -4.988 -3.306 1.00 0.00 O ATOM 886 CB LEU A 56 -9.053 -4.528 0.013 1.00 0.00 C ATOM 887 CG LEU A 56 -8.189 -3.716 0.992 1.00 0.00 C ATOM 888 CD1 LEU A 56 -7.949 -4.551 2.247 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.829 -3.364 0.383 1.00 0.00 C ATOM 0 H LEU A 56 -10.686 -2.744 0.178 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.670 -3.255 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.936 -4.888 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.491 -5.407 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.718 -2.792 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.337 -3.985 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.905 -4.792 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.434 -5.473 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.245 -2.790 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.295 -4.280 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.977 -2.771 -0.519 1.00 0.00 H new ATOM 901 N SER A 57 -11.269 -5.329 -1.939 1.00 0.00 N ATOM 902 CA SER A 57 -11.969 -6.275 -2.818 1.00 0.00 C ATOM 903 C SER A 57 -12.359 -5.673 -4.177 1.00 0.00 C ATOM 904 O SER A 57 -12.353 -6.393 -5.178 1.00 0.00 O ATOM 905 CB SER A 57 -13.195 -6.853 -2.100 1.00 0.00 C ATOM 906 OG SER A 57 -14.129 -5.853 -1.728 1.00 0.00 O ATOM 0 H SER A 57 -11.761 -5.150 -1.064 1.00 0.00 H new ATOM 0 HA SER A 57 -11.266 -7.078 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.684 -7.578 -2.750 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.870 -7.391 -1.210 1.00 0.00 H new ATOM 0 HG SER A 57 -14.892 -6.270 -1.276 1.00 0.00 H new ATOM 912 N ASP A 58 -12.600 -4.361 -4.237 1.00 0.00 N ATOM 913 CA ASP A 58 -12.755 -3.589 -5.476 1.00 0.00 C ATOM 914 C ASP A 58 -11.548 -3.678 -6.419 1.00 0.00 C ATOM 915 O ASP A 58 -11.661 -4.105 -7.570 1.00 0.00 O ATOM 916 CB ASP A 58 -13.071 -2.118 -5.162 1.00 0.00 C ATOM 917 CG ASP A 58 -14.506 -1.779 -4.756 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.461 -2.454 -5.194 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.686 -0.678 -4.190 1.00 0.00 O ATOM 0 H ASP A 58 -12.696 -3.787 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.592 -4.044 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.408 -1.795 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.820 -1.524 -6.041 1.00 0.00 H new ATOM 924 N TYR A 59 -10.356 -3.375 -5.894 1.00 0.00 N ATOM 925 CA TYR A 59 -9.075 -3.531 -6.591 1.00 0.00 C ATOM 926 C TYR A 59 -8.605 -4.976 -6.847 1.00 0.00 C ATOM 927 O TYR A 59 -7.478 -5.208 -7.278 1.00 0.00 O ATOM 928 CB TYR A 59 -8.002 -2.606 -5.985 1.00 0.00 C ATOM 929 CG TYR A 59 -8.105 -1.134 -6.344 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.824 -0.266 -5.503 1.00 0.00 C ATOM 931 CD2 TYR A 59 -7.405 -0.614 -7.452 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.812 1.119 -5.738 1.00 0.00 C ATOM 933 CE2 TYR A 59 -7.389 0.777 -7.688 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.083 1.645 -6.820 1.00 0.00 C ATOM 935 OH TYR A 59 -8.019 2.989 -6.985 1.00 0.00 O ATOM 0 H TYR A 59 -10.253 -3.005 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.261 -3.195 -7.611 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.044 -2.698 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.022 -2.967 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.388 -0.666 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.881 -1.281 -8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.363 1.781 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.846 1.176 -8.532 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.079 3.429 -6.111 1.00 0.00 H new ATOM 945 N ASN A 60 -9.466 -5.961 -6.552 1.00 0.00 N ATOM 946 CA ASN A 60 -9.186 -7.403 -6.588 1.00 0.00 C ATOM 947 C ASN A 60 -8.057 -7.855 -5.623 1.00 0.00 C ATOM 948 O ASN A 60 -7.466 -8.928 -5.783 1.00 0.00 O ATOM 949 CB ASN A 60 -9.058 -7.907 -8.047 1.00 0.00 C ATOM 950 CG ASN A 60 -10.369 -8.001 -8.819 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.679 -9.028 -9.408 1.00 0.00 O ATOM 952 ND2 ASN A 60 -11.189 -6.976 -8.854 1.00 0.00 N ATOM 0 H ASN A 60 -10.425 -5.763 -6.267 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.054 -7.915 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.384 -7.241 -8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.591 -8.892 -8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.068 -7.044 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.947 -6.112 -8.369 1.00 0.00 H new ATOM 959 N ILE A 61 -7.766 -7.049 -4.595 1.00 0.00 N ATOM 960 CA ILE A 61 -6.695 -7.286 -3.616 1.00 0.00 C ATOM 961 C ILE A 61 -7.112 -8.412 -2.661 1.00 0.00 C ATOM 962 O ILE A 61 -7.865 -8.215 -1.708 1.00 0.00 O ATOM 963 CB ILE A 61 -6.303 -5.982 -2.877 1.00 0.00 C ATOM 964 CG1 ILE A 61 -5.974 -4.865 -3.895 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.101 -6.247 -1.952 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.552 -3.523 -3.287 1.00 0.00 C ATOM 0 H ILE A 61 -8.283 -6.189 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.795 -7.610 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.145 -5.650 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.175 -5.216 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.849 -4.700 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.830 -5.327 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.366 -7.010 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.255 -6.593 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.344 -2.811 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.356 -3.139 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.655 -3.663 -2.684 1.00 0.00 H new ATOM 978 N GLN A 62 -6.641 -9.620 -2.968 1.00 0.00 N ATOM 979 CA GLN A 62 -6.965 -10.863 -2.263 1.00 0.00 C ATOM 980 C GLN A 62 -6.181 -11.043 -0.943 1.00 0.00 C ATOM 981 O GLN A 62 -5.217 -10.327 -0.661 1.00 0.00 O ATOM 982 CB GLN A 62 -6.744 -12.036 -3.239 1.00 0.00 C ATOM 983 CG GLN A 62 -5.279 -12.211 -3.706 1.00 0.00 C ATOM 984 CD GLN A 62 -5.047 -12.188 -5.221 1.00 0.00 C ATOM 985 OE1 GLN A 62 -4.148 -12.847 -5.726 1.00 0.00 O ATOM 986 NE2 GLN A 62 -5.732 -11.384 -6.010 1.00 0.00 N ATOM 0 H GLN A 62 -5.997 -9.767 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.009 -10.828 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.073 -12.958 -2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.377 -11.889 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.678 -11.421 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.905 -13.158 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.489 -10.818 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.505 -11.328 -7.003 1.00 0.00 H new ATOM 995 N LYS A 63 -6.559 -12.049 -0.142 1.00 0.00 N ATOM 996 CA LYS A 63 -5.763 -12.493 1.018 1.00 0.00 C ATOM 997 C LYS A 63 -4.398 -13.020 0.543 1.00 0.00 C ATOM 998 O LYS A 63 -4.311 -13.625 -0.522 1.00 0.00 O ATOM 999 CB LYS A 63 -6.577 -13.509 1.850 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.623 -14.918 1.225 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.773 -15.774 1.775 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.617 -17.220 1.290 1.00 0.00 C ATOM 1003 NZ LYS A 63 -8.808 -18.042 1.609 1.00 0.00 N ATOM 0 H LYS A 63 -7.421 -12.578 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.549 -11.657 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.146 -13.577 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.595 -13.138 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.728 -14.828 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.676 -15.425 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.773 -15.744 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.730 -15.370 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.450 -17.225 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.735 -17.664 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.662 -19.012 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.953 -18.058 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.646 -17.633 1.148 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.341 -12.742 1.303 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.931 -12.959 0.913 1.00 0.00 C ATOM 1019 C GLU A 64 -1.502 -12.244 -0.397 1.00 0.00 C ATOM 1020 O GLU A 64 -0.528 -12.624 -1.048 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.527 -14.450 1.006 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.659 -15.001 2.444 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.831 -16.274 2.719 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -0.333 -16.929 1.778 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.650 -16.628 3.907 1.00 0.00 O ATOM 0 H GLU A 64 -3.435 -12.347 2.239 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.330 -12.445 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.154 -15.037 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.498 -14.568 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.354 -14.225 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.709 -15.216 2.643 1.00 0.00 H new ATOM 1032 N SER A 65 -2.195 -11.160 -0.775 1.00 0.00 N ATOM 1033 CA SER A 65 -1.807 -10.286 -1.894 1.00 0.00 C ATOM 1034 C SER A 65 -0.400 -9.695 -1.743 1.00 0.00 C ATOM 1035 O SER A 65 -0.072 -9.129 -0.696 1.00 0.00 O ATOM 1036 CB SER A 65 -2.815 -9.140 -2.046 1.00 0.00 C ATOM 1037 OG SER A 65 -2.320 -8.122 -2.891 1.00 0.00 O ATOM 0 H SER A 65 -3.051 -10.861 -0.307 1.00 0.00 H new ATOM 0 HA SER A 65 -1.803 -10.917 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.750 -9.528 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.042 -8.722 -1.065 1.00 0.00 H new ATOM 0 HG SER A 65 -2.729 -8.205 -3.778 1.00 0.00 H new ATOM 1043 N THR A 66 0.387 -9.737 -2.822 1.00 0.00 N ATOM 1044 CA THR A 66 1.709 -9.098 -2.937 1.00 0.00 C ATOM 1045 C THR A 66 1.734 -7.694 -3.536 1.00 0.00 C ATOM 1046 O THR A 66 1.941 -7.512 -4.739 1.00 0.00 O ATOM 1047 CB THR A 66 2.783 -10.014 -3.556 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.499 -11.387 -3.380 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.174 -9.736 -2.985 1.00 0.00 C ATOM 0 H THR A 66 0.115 -10.233 -3.671 1.00 0.00 H new ATOM 0 HA THR A 66 1.978 -8.940 -1.893 1.00 0.00 H new ATOM 0 HB THR A 66 2.769 -9.782 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.209 -11.923 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.898 -10.405 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.451 -8.702 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.165 -9.903 -1.908 1.00 0.00 H new ATOM 1057 N LEU A 67 1.544 -6.670 -2.703 1.00 0.00 N ATOM 1058 CA LEU A 67 1.792 -5.284 -3.103 1.00 0.00 C ATOM 1059 C LEU A 67 3.297 -5.042 -3.292 1.00 0.00 C ATOM 1060 O LEU A 67 4.141 -5.629 -2.618 1.00 0.00 O ATOM 1061 CB LEU A 67 1.191 -4.294 -2.087 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.345 -4.386 -1.980 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -0.810 -5.226 -0.788 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -0.943 -2.987 -1.822 1.00 0.00 C ATOM 0 H LEU A 67 1.218 -6.775 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 67 1.296 -5.111 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.628 -4.481 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.468 -3.279 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.685 -4.866 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.899 -5.254 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.423 -6.240 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.439 -4.783 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.028 -3.061 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.548 -2.522 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.680 -2.379 -2.688 1.00 0.00 H new ATOM 1076 N HIS A 68 3.637 -4.142 -4.202 1.00 0.00 N ATOM 1077 CA HIS A 68 4.944 -3.508 -4.282 1.00 0.00 C ATOM 1078 C HIS A 68 4.869 -2.143 -3.677 1.00 0.00 C ATOM 1079 O HIS A 68 3.812 -1.547 -3.461 1.00 0.00 O ATOM 1080 CB HIS A 68 5.451 -3.433 -5.729 1.00 0.00 C ATOM 1081 CG HIS A 68 5.778 -4.762 -6.373 1.00 0.00 C ATOM 1082 ND1 HIS A 68 5.079 -5.946 -6.267 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.780 -4.974 -7.282 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.670 -6.855 -7.058 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.708 -6.307 -7.715 1.00 0.00 N ATOM 0 H HIS A 68 2.993 -3.824 -4.926 1.00 0.00 H new ATOM 0 HA HIS A 68 5.657 -4.115 -3.725 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.696 -2.931 -6.335 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.344 -2.809 -5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.502 -4.241 -7.610 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.356 -7.884 -7.154 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.319 -6.767 -8.390 1.00 0.00 H new ATOM 1093 N LEU A 69 6.056 -1.649 -3.418 1.00 0.00 N ATOM 1094 CA LEU A 69 6.228 -0.295 -3.062 1.00 0.00 C ATOM 1095 C LEU A 69 6.992 0.510 -4.102 1.00 0.00 C ATOM 1096 O LEU A 69 7.805 -0.028 -4.852 1.00 0.00 O ATOM 1097 CB LEU A 69 6.923 -0.195 -1.721 1.00 0.00 C ATOM 1098 CG LEU A 69 7.127 1.133 -0.982 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.787 1.780 -0.659 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.877 0.903 0.331 1.00 0.00 C ATOM 0 H LEU A 69 6.920 -2.190 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 69 5.230 0.139 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.376 -0.847 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.913 -0.631 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 69 7.706 1.788 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.954 2.721 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.243 1.972 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.203 1.111 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.014 1.855 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.302 0.229 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.851 0.461 0.121 1.00 0.00 H new ATOM 1112 N VAL A 70 6.838 1.828 -4.020 1.00 0.00 N ATOM 1113 CA VAL A 70 7.930 2.733 -4.351 1.00 0.00 C ATOM 1114 C VAL A 70 8.201 3.815 -3.347 1.00 0.00 C ATOM 1115 O VAL A 70 7.419 4.065 -2.446 1.00 0.00 O ATOM 1116 CB VAL A 70 7.741 3.508 -5.687 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.890 3.139 -6.607 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.389 3.333 -6.380 1.00 0.00 C ATOM 0 H VAL A 70 5.975 2.289 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 70 8.754 2.020 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 70 7.748 4.569 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.783 3.669 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.834 3.418 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.879 2.064 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.373 3.919 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.235 2.280 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.594 3.675 -5.718 1.00 0.00 H new ATOM 1128 N LEU A 71 9.261 4.557 -3.633 1.00 0.00 N ATOM 1129 CA LEU A 71 9.280 5.982 -3.387 1.00 0.00 C ATOM 1130 C LEU A 71 8.091 6.856 -3.815 1.00 0.00 C ATOM 1131 O LEU A 71 7.138 6.460 -4.481 1.00 0.00 O ATOM 1132 CB LEU A 71 10.545 6.600 -4.008 1.00 0.00 C ATOM 1133 CG LEU A 71 11.774 6.854 -3.099 1.00 0.00 C ATOM 1134 CD1 LEU A 71 11.889 8.320 -2.695 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.864 5.990 -1.840 1.00 0.00 C ATOM 0 H LEU A 71 10.121 4.188 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 71 9.235 6.001 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.865 5.949 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.262 7.553 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 71 12.609 6.559 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.764 8.454 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.992 8.936 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.994 8.618 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.762 6.254 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.986 6.162 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.908 4.938 -2.123 1.00 0.00 H new