USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 132:sc= 0.357 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.265 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0252 K(o=0.025,f=-2.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 137:sc= 1.54 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 147:sc= 0.989 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.197 (180deg=-1.17) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.828 (180deg=0.824) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.15) USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.121 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.99 (180deg=1.97) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.595 (180deg=0.499) USER MOD Single : A 31 GLN : amide:sc= -0.0057 X(o=-0.0057,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.803 K(o=0.8,f=-5!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.56 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0083) 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 69:sc= 1.06 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.798 -7.507 -5.134 1.00 9.67 N ATOM 2 CA MET A 1 11.483 -7.404 -3.710 1.00 10.38 C ATOM 3 C MET A 1 10.097 -7.737 -3.319 1.00 9.62 C ATOM 4 O MET A 1 9.206 -7.644 -4.115 1.00 9.62 O ATOM 5 CB MET A 1 11.792 -5.905 -3.369 1.00 13.77 C ATOM 6 CG MET A 1 11.644 -5.605 -1.831 1.00 16.29 C ATOM 7 SD MET A 1 12.074 -4.018 -1.161 1.00 17.17 S ATOM 8 CE MET A 1 10.475 -3.146 -1.174 1.00 16.11 C ATOM 0 H1 MET A 1 12.784 -7.218 -5.293 1.00 9.67 H new ATOM 0 H2 MET A 1 11.670 -8.490 -5.448 1.00 9.67 H new ATOM 0 H3 MET A 1 11.164 -6.886 -5.676 1.00 9.67 H new ATOM 0 HA MET A 1 12.069 -8.141 -3.161 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.805 -5.662 -3.689 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.117 -5.259 -3.930 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.602 -5.790 -1.569 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.242 -6.347 -1.302 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.351 -2.599 -0.239 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.449 -2.447 -2.010 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.667 -3.870 -1.281 1.00 16.11 H new ATOM 20 N GLN A 2 9.913 -8.211 -2.063 1.00 9.27 N ATOM 21 CA GLN A 2 8.657 -8.652 -1.458 1.00 9.07 C ATOM 22 C GLN A 2 8.313 -7.753 -0.281 1.00 8.72 C ATOM 23 O GLN A 2 9.142 -7.499 0.578 1.00 8.22 O ATOM 24 CB GLN A 2 8.664 -10.086 -0.938 1.00 14.46 C ATOM 25 CG GLN A 2 8.707 -11.023 -2.169 1.00 17.01 C ATOM 26 CD GLN A 2 9.075 -12.501 -1.699 1.00 20.10 C ATOM 27 OE1 GLN A 2 10.249 -12.827 -1.515 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.082 -13.372 -1.634 1.00 19.49 N ATOM 0 H GLN A 2 10.695 -8.296 -1.414 1.00 9.27 H new ATOM 0 HA GLN A 2 7.925 -8.598 -2.264 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.527 -10.257 -0.295 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.775 -10.281 -0.338 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.742 -11.021 -2.675 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.444 -10.664 -2.887 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.123 -13.064 -1.792 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.276 -14.352 -1.426 1.00 19.49 H new ATOM 37 N ILE A 3 7.022 -7.241 -0.209 1.00 5.87 N ATOM 38 CA ILE A 3 6.448 -6.590 0.973 1.00 5.07 C ATOM 39 C ILE A 3 5.161 -7.327 1.336 1.00 4.01 C ATOM 40 O ILE A 3 4.740 -8.225 0.593 1.00 4.61 O ATOM 41 CB ILE A 3 6.217 -5.075 0.938 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.479 -4.631 -0.337 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.559 -4.388 1.045 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.932 -3.229 -0.226 1.00 10.83 C ATOM 0 H ILE A 3 6.372 -7.286 -0.994 1.00 5.87 H new ATOM 0 HA ILE A 3 7.224 -6.669 1.735 1.00 5.07 H new ATOM 0 HB ILE A 3 5.579 -4.795 1.777 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.161 -4.686 -1.186 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.661 -5.322 -0.540 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.417 -3.307 1.022 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.039 -4.671 1.982 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.190 -4.689 0.209 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.421 -2.964 -1.151 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.229 -3.178 0.605 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.751 -2.532 -0.051 1.00 10.83 H new ATOM 56 N PHE A 4 4.499 -7.035 2.441 1.00 4.55 N ATOM 57 CA PHE A 4 3.344 -7.679 2.932 1.00 4.68 C ATOM 58 C PHE A 4 2.321 -6.716 3.383 1.00 5.30 C ATOM 59 O PHE A 4 2.594 -5.880 4.242 1.00 5.58 O ATOM 60 CB PHE A 4 3.727 -8.541 4.184 1.00 4.83 C ATOM 61 CG PHE A 4 4.686 -9.666 3.888 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.192 -10.902 3.375 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.078 -9.609 4.253 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.104 -11.984 3.206 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.903 -10.692 4.011 1.00 10.61 C ATOM 66 CZ PHE A 4 6.432 -11.889 3.473 1.00 8.90 C ATOM 0 H PHE A 4 4.799 -6.275 3.052 1.00 4.55 H new ATOM 0 HA PHE A 4 2.945 -8.282 2.116 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.169 -7.890 4.938 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.817 -8.958 4.617 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.149 -11.015 3.120 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.478 -8.719 4.716 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.719 -12.927 2.847 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.953 -10.607 4.248 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.101 -12.713 3.275 1.00 8.90 H new ATOM 76 N VAL A 5 1.050 -6.820 2.922 1.00 4.44 N ATOM 77 CA VAL A 5 0.015 -5.889 3.180 1.00 3.87 C ATOM 78 C VAL A 5 -1.040 -6.541 3.982 1.00 4.93 C ATOM 79 O VAL A 5 -1.704 -7.458 3.525 1.00 6.84 O ATOM 80 CB VAL A 5 -0.596 -5.315 1.907 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.884 -4.596 2.075 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.341 -4.370 1.197 1.00 9.13 C ATOM 0 H VAL A 5 0.744 -7.600 2.340 1.00 4.44 H new ATOM 0 HA VAL A 5 0.458 -5.056 3.727 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.785 -6.215 1.322 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.226 -4.231 1.107 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.629 -5.275 2.490 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.745 -3.753 2.752 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.140 -3.988 0.297 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.588 -3.538 1.857 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.254 -4.900 0.924 1.00 9.13 H new ATOM 92 N LYS A 6 -1.186 -6.123 5.293 1.00 6.04 N ATOM 93 CA LYS A 6 -2.215 -6.485 6.191 1.00 6.12 C ATOM 94 C LYS A 6 -3.527 -5.764 5.893 1.00 6.57 C ATOM 95 O LYS A 6 -3.667 -4.549 5.973 1.00 5.76 O ATOM 96 CB LYS A 6 -1.849 -6.105 7.639 1.00 7.45 C ATOM 97 CG LYS A 6 -0.626 -6.779 8.177 1.00 11.12 C ATOM 98 CD LYS A 6 -0.832 -8.308 8.325 1.00 14.54 C ATOM 99 CE LYS A 6 0.403 -9.024 8.750 1.00 18.84 C ATOM 100 NZ LYS A 6 0.076 -10.465 8.817 1.00 20.55 N ATOM 0 H LYS A 6 -0.515 -5.485 5.722 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.332 -7.562 6.071 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.704 -5.026 7.690 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.693 -6.344 8.286 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.217 -6.588 7.513 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.371 -6.351 9.146 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.622 -8.494 9.053 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.173 -8.717 7.374 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.213 -8.846 8.042 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.742 -8.662 9.720 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.913 -11.024 8.556 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.215 -10.710 9.785 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.700 -10.676 8.158 1.00 20.55 H new ATOM 114 N THR A 7 -4.599 -6.541 5.497 1.00 7.41 N ATOM 115 CA THR A 7 -5.960 -6.050 5.134 1.00 7.48 C ATOM 116 C THR A 7 -6.808 -5.688 6.330 1.00 8.75 C ATOM 117 O THR A 7 -6.394 -6.018 7.430 1.00 8.58 O ATOM 118 CB THR A 7 -6.707 -6.840 4.111 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.320 -7.947 4.641 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.843 -7.305 2.903 1.00 9.17 C ATOM 0 H THR A 7 -4.524 -7.556 5.424 1.00 7.41 H new ATOM 0 HA THR A 7 -5.736 -5.122 4.609 1.00 7.48 H new ATOM 0 HB THR A 7 -7.453 -6.133 3.749 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.222 -8.031 4.268 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.463 -7.872 2.209 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.431 -6.434 2.394 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.029 -7.936 3.260 1.00 9.17 H new ATOM 128 N LEU A 8 -8.043 -5.084 6.147 1.00 9.84 N ATOM 129 CA LEU A 8 -8.960 -4.909 7.270 1.00 14.15 C ATOM 130 C LEU A 8 -9.859 -6.095 7.450 1.00 17.37 C ATOM 131 O LEU A 8 -10.764 -6.135 8.274 1.00 17.01 O ATOM 132 CB LEU A 8 -9.913 -3.766 7.021 1.00 16.63 C ATOM 133 CG LEU A 8 -9.328 -2.349 6.963 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.273 -1.405 6.204 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.878 -1.810 8.306 1.00 18.59 C ATOM 0 H LEU A 8 -8.387 -4.733 5.253 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.318 -4.746 8.136 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.425 -3.956 6.078 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.670 -3.784 7.805 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.401 -2.411 6.393 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.841 -0.405 6.173 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.413 -1.771 5.187 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.236 -1.369 6.712 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.477 -0.804 8.179 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.727 -1.778 8.988 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.105 -2.459 8.718 1.00 18.59 H new ATOM 147 N THR A 9 -9.743 -7.178 6.599 1.00 18.33 N ATOM 148 CA THR A 9 -10.544 -8.320 6.530 1.00 19.24 C ATOM 149 C THR A 9 -9.869 -9.549 7.091 1.00 19.48 C ATOM 150 O THR A 9 -10.379 -10.645 7.018 1.00 23.14 O ATOM 151 CB THR A 9 -11.001 -8.631 5.087 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.993 -8.334 4.188 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.295 -7.884 4.781 1.00 19.70 C ATOM 0 H THR A 9 -8.996 -7.211 5.906 1.00 18.33 H new ATOM 0 HA THR A 9 -11.413 -8.083 7.145 1.00 19.24 H new ATOM 0 HB THR A 9 -11.208 -9.697 4.989 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.296 -8.537 3.278 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.612 -8.107 3.762 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.070 -8.198 5.479 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.129 -6.812 4.882 1.00 19.70 H new ATOM 161 N GLY A 10 -8.679 -9.291 7.676 1.00 19.43 N ATOM 162 CA GLY A 10 -7.776 -10.281 8.349 1.00 18.74 C ATOM 163 C GLY A 10 -6.924 -11.026 7.345 1.00 17.62 C ATOM 164 O GLY A 10 -6.433 -12.116 7.679 1.00 19.74 O ATOM 0 H GLY A 10 -8.294 -8.347 7.699 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.133 -9.763 9.061 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.374 -10.992 8.919 1.00 18.74 H new ATOM 168 N LYS A 11 -6.734 -10.505 6.146 1.00 13.56 N ATOM 169 CA LYS A 11 -5.727 -11.069 5.227 1.00 11.91 C ATOM 170 C LYS A 11 -4.386 -10.467 5.312 1.00 10.18 C ATOM 171 O LYS A 11 -4.082 -9.363 5.756 1.00 9.10 O ATOM 172 CB LYS A 11 -6.365 -11.062 3.769 1.00 13.43 C ATOM 173 CG LYS A 11 -5.644 -11.737 2.579 1.00 16.69 C ATOM 174 CD LYS A 11 -6.562 -11.707 1.307 1.00 17.92 C ATOM 175 CE LYS A 11 -5.799 -12.196 0.062 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.679 -12.240 -1.118 1.00 21.93 N ATOM 0 H LYS A 11 -7.248 -9.705 5.778 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.505 -12.092 5.530 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.349 -11.524 3.849 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.524 -10.019 3.495 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.706 -11.222 2.372 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.393 -12.767 2.832 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.437 -12.336 1.471 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.925 -10.693 1.140 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.956 -11.534 -0.134 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.388 -13.188 0.250 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.148 -12.605 -1.934 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.488 -12.864 -0.925 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.024 -11.282 -1.330 1.00 21.93 H new ATOM 190 N THR A 12 -3.453 -11.208 4.769 1.00 9.63 N ATOM 191 CA THR A 12 -2.111 -10.722 4.421 1.00 9.85 C ATOM 192 C THR A 12 -1.857 -10.979 2.921 1.00 11.66 C ATOM 193 O THR A 12 -1.799 -12.106 2.474 1.00 12.33 O ATOM 194 CB THR A 12 -0.951 -11.354 5.231 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.237 -11.352 6.624 1.00 10.91 O ATOM 196 CG2 THR A 12 0.328 -10.520 4.974 1.00 9.63 C ATOM 0 H THR A 12 -3.594 -12.193 4.545 1.00 9.63 H new ATOM 0 HA THR A 12 -2.111 -9.661 4.670 1.00 9.85 H new ATOM 0 HB THR A 12 -0.816 -12.388 4.914 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.838 -12.144 7.041 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.159 -10.947 5.535 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.563 -10.533 3.910 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.163 -9.492 5.296 1.00 9.63 H new ATOM 204 N ILE A 13 -1.640 -9.889 2.151 1.00 10.42 N ATOM 205 CA ILE A 13 -1.307 -9.929 0.746 1.00 11.84 C ATOM 206 C ILE A 13 0.242 -9.846 0.549 1.00 10.55 C ATOM 207 O ILE A 13 0.871 -8.886 0.932 1.00 11.92 O ATOM 208 CB ILE A 13 -1.922 -8.807 -0.042 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.482 -8.782 0.195 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.638 -8.861 -1.532 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.179 -7.762 -0.620 1.00 16.46 C ATOM 0 H ILE A 13 -1.698 -8.940 2.519 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.707 -10.874 0.378 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.454 -7.893 0.324 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.894 -9.765 -0.035 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.680 -8.592 1.250 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.118 -8.016 -2.025 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.562 -8.815 -1.699 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.030 -9.791 -1.944 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.248 -7.797 -0.410 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.793 -6.773 -0.373 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.010 -7.964 -1.678 1.00 16.46 H new ATOM 223 N THR A 14 0.919 -10.898 -0.060 1.00 9.39 N ATOM 224 CA THR A 14 2.302 -10.711 -0.511 1.00 9.63 C ATOM 225 C THR A 14 2.400 -10.023 -1.844 1.00 11.20 C ATOM 226 O THR A 14 1.687 -10.396 -2.811 1.00 11.63 O ATOM 227 CB THR A 14 3.153 -11.999 -0.533 1.00 10.38 C ATOM 228 OG1 THR A 14 2.861 -12.835 0.593 1.00 16.30 O ATOM 229 CG2 THR A 14 4.660 -11.649 -0.540 1.00 11.66 C ATOM 0 H THR A 14 0.527 -11.824 -0.229 1.00 9.39 H new ATOM 0 HA THR A 14 2.724 -10.060 0.255 1.00 9.63 H new ATOM 0 HB THR A 14 2.903 -12.544 -1.443 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.481 -12.629 1.323 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.247 -12.567 -0.556 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.892 -11.055 -1.424 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.905 -11.077 0.355 1.00 11.66 H new ATOM 237 N LEU A 15 3.320 -8.962 -1.910 1.00 8.29 N ATOM 238 CA LEU A 15 3.389 -8.207 -3.152 1.00 9.03 C ATOM 239 C LEU A 15 4.836 -8.334 -3.688 1.00 8.59 C ATOM 240 O LEU A 15 5.759 -8.093 -2.920 1.00 7.79 O ATOM 241 CB LEU A 15 3.157 -6.706 -2.999 1.00 11.08 C ATOM 242 CG LEU A 15 1.730 -6.273 -2.600 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.622 -4.724 -2.470 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.663 -6.699 -3.618 1.00 15.27 C ATOM 0 H LEU A 15 3.950 -8.667 -1.165 1.00 8.29 H new ATOM 0 HA LEU A 15 2.609 -8.613 -3.797 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.852 -6.327 -2.250 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.410 -6.222 -3.942 1.00 11.08 H new ATOM 0 HG LEU A 15 1.548 -6.769 -1.647 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.605 -4.453 -2.188 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.316 -4.374 -1.706 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.870 -4.261 -3.425 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.317 -6.365 -3.279 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.884 -6.251 -4.586 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.663 -7.785 -3.712 1.00 15.27 H new ATOM 256 N GLU A 16 4.909 -8.525 -5.019 1.00 11.04 N ATOM 257 CA GLU A 16 6.127 -8.331 -5.773 1.00 11.50 C ATOM 258 C GLU A 16 6.180 -6.901 -6.164 1.00 10.13 C ATOM 259 O GLU A 16 5.234 -6.318 -6.748 1.00 9.83 O ATOM 260 CB GLU A 16 6.072 -9.288 -6.956 1.00 17.22 C ATOM 261 CG GLU A 16 5.971 -10.759 -6.460 1.00 23.33 C ATOM 262 CD GLU A 16 6.300 -11.730 -7.576 1.00 26.99 C ATOM 263 OE1 GLU A 16 5.552 -11.778 -8.581 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.251 -12.481 -7.394 1.00 28.90 O ATOM 0 H GLU A 16 4.115 -8.819 -5.587 1.00 11.04 H new ATOM 0 HA GLU A 16 7.037 -8.548 -5.213 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.214 -9.050 -7.585 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.963 -9.166 -7.572 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.655 -10.913 -5.625 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.965 -10.953 -6.088 1.00 23.33 H new ATOM 271 N VAL A 17 7.275 -6.192 -5.803 1.00 8.99 N ATOM 272 CA VAL A 17 7.499 -4.809 -5.981 1.00 8.85 C ATOM 273 C VAL A 17 9.048 -4.688 -6.234 1.00 8.04 C ATOM 274 O VAL A 17 9.799 -5.636 -6.104 1.00 8.99 O ATOM 275 CB VAL A 17 7.117 -3.946 -4.704 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.633 -3.951 -4.476 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.896 -4.383 -3.414 1.00 10.54 C ATOM 0 H VAL A 17 8.066 -6.645 -5.346 1.00 8.99 H new ATOM 0 HA VAL A 17 6.881 -4.430 -6.795 1.00 8.85 H new ATOM 0 HB VAL A 17 7.429 -2.923 -4.914 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.398 -3.353 -3.596 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.130 -3.529 -5.346 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.292 -4.975 -4.321 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.592 -3.756 -2.576 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.671 -5.425 -3.189 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.967 -4.271 -3.581 1.00 10.54 H new ATOM 287 N GLU A 18 9.397 -3.423 -6.463 1.00 7.29 N ATOM 288 CA GLU A 18 10.750 -2.889 -6.416 1.00 7.08 C ATOM 289 C GLU A 18 10.798 -1.691 -5.476 1.00 6.45 C ATOM 290 O GLU A 18 9.696 -1.139 -5.262 1.00 5.28 O ATOM 291 CB GLU A 18 11.165 -2.335 -7.806 1.00 10.28 C ATOM 292 CG GLU A 18 11.228 -3.284 -8.995 1.00 12.65 C ATOM 293 CD GLU A 18 12.405 -4.199 -8.984 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.439 -3.868 -8.339 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.357 -5.302 -9.637 1.00 18.17 O ATOM 0 H GLU A 18 8.706 -2.710 -6.698 1.00 7.29 H new ATOM 0 HA GLU A 18 11.407 -3.697 -6.093 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.470 -1.535 -8.061 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.149 -1.880 -7.697 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.317 -3.882 -9.017 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.246 -2.697 -9.913 1.00 12.65 H new ATOM 302 N PRO A 19 11.912 -1.252 -4.959 1.00 7.24 N ATOM 303 CA PRO A 19 12.033 -0.022 -4.174 1.00 7.07 C ATOM 304 C PRO A 19 11.631 1.185 -4.967 1.00 6.65 C ATOM 305 O PRO A 19 11.193 2.192 -4.409 1.00 6.37 O ATOM 306 CB PRO A 19 13.533 0.017 -3.783 1.00 7.61 C ATOM 307 CG PRO A 19 13.976 -1.421 -3.876 1.00 8.16 C ATOM 308 CD PRO A 19 13.107 -2.034 -4.967 1.00 7.49 C ATOM 0 HA PRO A 19 11.374 -0.012 -3.306 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.104 0.654 -4.458 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.672 0.413 -2.777 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.034 -1.492 -4.128 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.839 -1.938 -2.926 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.601 -1.992 -5.938 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.895 -3.083 -4.762 1.00 7.49 H new ATOM 316 N SER A 20 11.814 1.141 -6.338 1.00 6.80 N ATOM 317 CA SER A 20 11.455 2.316 -7.165 1.00 6.28 C ATOM 318 C SER A 20 9.922 2.485 -7.305 1.00 8.45 C ATOM 319 O SER A 20 9.500 3.491 -7.830 1.00 7.26 O ATOM 320 CB SER A 20 12.097 2.104 -8.554 1.00 8.57 C ATOM 321 OG SER A 20 11.688 0.877 -9.186 1.00 11.13 O ATOM 0 H SER A 20 12.188 0.343 -6.852 1.00 6.80 H new ATOM 0 HA SER A 20 11.822 3.225 -6.688 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.836 2.942 -9.200 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.182 2.108 -8.450 1.00 8.57 H new ATOM 0 HG SER A 20 12.124 0.798 -10.060 1.00 11.13 H new ATOM 327 N ASP A 21 9.129 1.503 -6.936 1.00 7.50 N ATOM 328 CA ASP A 21 7.698 1.637 -7.083 1.00 7.70 C ATOM 329 C ASP A 21 7.022 2.699 -6.201 1.00 7.08 C ATOM 330 O ASP A 21 7.182 2.788 -4.975 1.00 8.11 O ATOM 331 CB ASP A 21 6.926 0.330 -6.827 1.00 11.00 C ATOM 332 CG ASP A 21 6.980 -0.616 -7.988 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.760 -0.142 -9.133 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.143 -1.845 -7.839 1.00 14.36 O ATOM 0 H ASP A 21 9.444 0.618 -6.539 1.00 7.50 H new ATOM 0 HA ASP A 21 7.637 1.948 -8.126 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.336 -0.162 -5.945 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.885 0.566 -6.605 1.00 11.00 H new ATOM 339 N THR A 22 6.266 3.580 -6.857 1.00 5.37 N ATOM 340 CA THR A 22 5.279 4.530 -6.269 1.00 6.01 C ATOM 341 C THR A 22 4.146 3.852 -5.591 1.00 8.01 C ATOM 342 O THR A 22 3.678 2.813 -6.089 1.00 8.11 O ATOM 343 CB THR A 22 4.776 5.597 -7.186 1.00 8.92 C ATOM 344 OG1 THR A 22 4.371 5.006 -8.416 1.00 10.22 O ATOM 345 CG2 THR A 22 5.835 6.689 -7.493 1.00 9.65 C ATOM 0 H THR A 22 6.318 3.667 -7.872 1.00 5.37 H new ATOM 0 HA THR A 22 5.876 5.048 -5.518 1.00 6.01 H new ATOM 0 HB THR A 22 3.942 6.080 -6.677 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.039 5.703 -9.020 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.406 7.433 -8.164 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.141 7.171 -6.564 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.703 6.231 -7.967 1.00 9.65 H new ATOM 353 N ILE A 23 3.650 4.364 -4.429 1.00 8.32 N ATOM 354 CA ILE A 23 2.513 3.802 -3.698 1.00 9.92 C ATOM 355 C ILE A 23 1.297 3.589 -4.627 1.00 10.01 C ATOM 356 O ILE A 23 0.617 2.588 -4.494 1.00 8.71 O ATOM 357 CB ILE A 23 2.258 4.726 -2.558 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.429 4.671 -1.555 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.926 4.424 -1.843 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.499 3.303 -0.782 1.00 12.30 C ATOM 0 H ILE A 23 4.045 5.190 -3.981 1.00 8.32 H new ATOM 0 HA ILE A 23 2.722 2.804 -3.312 1.00 9.92 H new ATOM 0 HB ILE A 23 2.180 5.732 -2.970 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.366 4.832 -2.087 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.326 5.485 -0.837 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.788 5.125 -1.020 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.102 4.527 -2.550 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.945 3.406 -1.453 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.341 3.319 -0.090 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.574 3.152 -0.225 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.630 2.489 -1.495 1.00 12.30 H new ATOM 372 N GLU A 24 1.040 4.499 -5.656 1.00 9.54 N ATOM 373 CA GLU A 24 0.001 4.419 -6.690 1.00 11.81 C ATOM 374 C GLU A 24 -0.011 3.064 -7.475 1.00 11.14 C ATOM 375 O GLU A 24 -1.066 2.441 -7.733 1.00 10.62 O ATOM 376 CB GLU A 24 0.291 5.498 -7.772 1.00 19.24 C ATOM 377 CG GLU A 24 -0.702 5.680 -8.933 1.00 27.76 C ATOM 378 CD GLU A 24 -0.621 7.059 -9.634 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.204 7.992 -9.065 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.077 7.234 -10.691 1.00 34.80 O ATOM 0 H GLU A 24 1.605 5.342 -5.759 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.946 4.544 -6.164 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.381 6.458 -7.263 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.266 5.275 -8.206 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.525 4.899 -9.673 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.714 5.537 -8.555 1.00 27.76 H new ATOM 387 N ASN A 25 1.135 2.499 -7.890 1.00 9.43 N ATOM 388 CA ASN A 25 1.324 1.179 -8.459 1.00 10.96 C ATOM 389 C ASN A 25 0.911 0.112 -7.482 1.00 9.68 C ATOM 390 O ASN A 25 0.305 -0.955 -7.714 1.00 9.33 O ATOM 391 CB ASN A 25 2.839 0.966 -8.784 1.00 16.78 C ATOM 392 CG ASN A 25 3.304 1.995 -9.886 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.428 2.560 -10.523 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.627 2.113 -9.958 1.00 24.70 N ATOM 0 H ASN A 25 2.018 3.006 -7.825 1.00 9.43 H new ATOM 0 HA ASN A 25 0.715 1.109 -9.360 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.435 1.094 -7.880 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.005 -0.053 -9.133 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.046 2.758 -10.628 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.223 1.558 -9.343 1.00 24.70 H new ATOM 401 N VAL A 26 1.359 0.313 -6.225 1.00 6.52 N ATOM 402 CA VAL A 26 1.220 -0.587 -5.124 1.00 5.53 C ATOM 403 C VAL A 26 -0.249 -0.814 -4.736 1.00 4.42 C ATOM 404 O VAL A 26 -0.683 -1.954 -4.590 1.00 3.40 O ATOM 405 CB VAL A 26 2.132 -0.171 -3.960 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.941 -1.222 -2.833 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.609 0.046 -4.300 1.00 8.12 C ATOM 0 H VAL A 26 1.853 1.167 -5.965 1.00 6.52 H new ATOM 0 HA VAL A 26 1.567 -1.572 -5.438 1.00 5.53 H new ATOM 0 HB VAL A 26 1.825 0.827 -3.646 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.573 -0.964 -1.984 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.897 -1.233 -2.519 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.218 -2.208 -3.205 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.151 0.336 -3.400 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.031 -0.878 -4.696 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.698 0.835 -5.047 1.00 8.12 H new ATOM 417 N LYS A 27 -1.036 0.258 -4.695 1.00 2.64 N ATOM 418 CA LYS A 27 -2.475 0.241 -4.623 1.00 4.14 C ATOM 419 C LYS A 27 -3.040 -0.518 -5.802 1.00 5.58 C ATOM 420 O LYS A 27 -4.062 -1.237 -5.737 1.00 4.11 O ATOM 421 CB LYS A 27 -3.170 1.669 -4.475 1.00 3.97 C ATOM 422 CG LYS A 27 -2.828 2.388 -3.231 1.00 7.45 C ATOM 423 CD LYS A 27 -3.529 3.686 -2.923 1.00 9.02 C ATOM 424 CE LYS A 27 -3.157 4.799 -3.887 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.169 5.848 -3.998 1.00 15.47 N ATOM 0 H LYS A 27 -0.657 1.205 -4.713 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.714 -0.271 -3.691 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.887 2.287 -5.327 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.251 1.540 -4.520 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.010 1.709 -2.398 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.757 2.589 -3.250 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.607 3.528 -2.956 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.283 3.994 -1.907 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.217 5.247 -3.564 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.983 4.369 -4.874 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.870 6.545 -4.709 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.075 5.427 -4.286 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.283 6.319 -3.078 1.00 15.47 H new ATOM 439 N ALA A 28 -2.485 -0.360 -7.047 1.00 6.61 N ATOM 440 CA ALA A 28 -2.883 -1.117 -8.198 1.00 7.74 C ATOM 441 C ALA A 28 -2.517 -2.590 -8.121 1.00 9.17 C ATOM 442 O ALA A 28 -3.364 -3.416 -8.524 1.00 11.45 O ATOM 443 CB ALA A 28 -2.380 -0.384 -9.504 1.00 7.68 C ATOM 0 H ALA A 28 -1.744 0.313 -7.241 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.972 -1.146 -8.233 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.681 -0.957 -10.381 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.818 0.613 -9.554 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.293 -0.302 -9.479 1.00 7.68 H new ATOM 449 N LYS A 29 -1.355 -2.971 -7.614 1.00 8.96 N ATOM 450 CA LYS A 29 -0.959 -4.335 -7.329 1.00 7.90 C ATOM 451 C LYS A 29 -1.867 -4.933 -6.185 1.00 6.92 C ATOM 452 O LYS A 29 -2.200 -6.119 -6.218 1.00 6.87 O ATOM 453 CB LYS A 29 0.503 -4.330 -6.870 1.00 10.28 C ATOM 454 CG LYS A 29 1.531 -3.997 -7.945 1.00 14.94 C ATOM 455 CD LYS A 29 2.899 -3.764 -7.181 1.00 19.69 C ATOM 456 CE LYS A 29 3.986 -3.101 -7.947 1.00 22.63 C ATOM 457 NZ LYS A 29 4.733 -4.106 -8.719 1.00 24.98 N ATOM 0 H LYS A 29 -0.626 -2.298 -7.379 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.073 -4.947 -8.224 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.607 -3.611 -6.058 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.739 -5.311 -6.459 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.620 -4.810 -8.666 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.239 -3.107 -8.503 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.695 -3.166 -6.293 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.266 -4.731 -6.837 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.566 -2.351 -8.618 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.658 -2.579 -7.266 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.599 -3.676 -9.103 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.987 -4.901 -8.099 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.142 -4.452 -9.502 1.00 24.98 H new ATOM 471 N ILE A 30 -2.380 -4.183 -5.233 1.00 4.57 N ATOM 472 CA ILE A 30 -3.412 -4.690 -4.341 1.00 5.58 C ATOM 473 C ILE A 30 -4.755 -4.741 -5.019 1.00 7.26 C ATOM 474 O ILE A 30 -5.542 -5.652 -4.690 1.00 9.46 O ATOM 475 CB ILE A 30 -3.568 -3.780 -3.094 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.293 -3.762 -2.184 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.760 -4.009 -2.187 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.188 -2.465 -1.306 1.00 2.00 C ATOM 0 H ILE A 30 -2.102 -3.218 -5.053 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.096 -5.693 -4.052 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.736 -2.824 -3.589 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.305 -4.636 -1.532 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.405 -3.844 -2.810 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.731 -3.298 -1.362 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.681 -3.870 -2.754 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.727 -5.024 -1.792 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.285 -2.510 -0.697 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.146 -1.589 -1.954 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.060 -2.394 -0.656 1.00 2.00 H new ATOM 490 N GLN A 31 -5.080 -3.888 -6.030 1.00 7.06 N ATOM 491 CA GLN A 31 -6.390 -4.061 -6.764 1.00 8.67 C ATOM 492 C GLN A 31 -6.531 -5.325 -7.475 1.00 10.90 C ATOM 493 O GLN A 31 -7.524 -6.060 -7.344 1.00 9.63 O ATOM 494 CB GLN A 31 -6.629 -2.940 -7.767 1.00 9.12 C ATOM 495 CG GLN A 31 -7.951 -3.136 -8.555 1.00 10.76 C ATOM 496 CD GLN A 31 -8.320 -1.885 -9.467 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.317 -1.224 -9.162 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.472 -1.418 -10.356 1.00 14.76 N ATOM 0 H GLN A 31 -4.499 -3.113 -6.350 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.131 -4.040 -5.965 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.658 -1.985 -7.243 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.794 -2.895 -8.466 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.866 -4.024 -9.182 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.764 -3.319 -7.852 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.648 -1.962 -10.610 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.638 -0.511 -10.792 1.00 14.76 H new ATOM 507 N ASP A 32 -5.488 -5.728 -8.241 1.00 10.93 N ATOM 508 CA ASP A 32 -5.398 -6.990 -8.880 1.00 14.01 C ATOM 509 C ASP A 32 -5.515 -8.214 -7.902 1.00 14.04 C ATOM 510 O ASP A 32 -6.005 -9.263 -8.344 1.00 13.39 O ATOM 511 CB ASP A 32 -3.970 -7.162 -9.560 1.00 18.01 C ATOM 512 CG ASP A 32 -3.690 -6.210 -10.688 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.654 -5.510 -11.110 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.576 -6.214 -11.233 1.00 26.29 O ATOM 0 H ASP A 32 -4.676 -5.135 -8.414 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.228 -6.993 -9.586 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.202 -7.035 -8.797 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.882 -8.182 -9.934 1.00 18.01 H new ATOM 519 N LYS A 33 -5.206 -8.052 -6.587 1.00 14.22 N ATOM 520 CA LYS A 33 -5.309 -9.085 -5.552 1.00 14.00 C ATOM 521 C LYS A 33 -6.541 -9.061 -4.663 1.00 12.37 C ATOM 522 O LYS A 33 -6.696 -9.953 -3.856 1.00 12.17 O ATOM 523 CB LYS A 33 -4.039 -8.956 -4.651 1.00 18.62 C ATOM 524 CG LYS A 33 -2.744 -9.339 -5.321 1.00 24.00 C ATOM 525 CD LYS A 33 -2.618 -10.793 -5.790 1.00 27.61 C ATOM 526 CE LYS A 33 -1.168 -11.295 -6.033 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.593 -10.667 -7.310 1.00 30.06 N ATOM 0 H LYS A 33 -4.868 -7.163 -6.219 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.394 -10.030 -6.088 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.961 -7.926 -4.304 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.173 -9.581 -3.768 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.602 -8.689 -6.184 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.928 -9.132 -4.629 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.087 -11.438 -5.047 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.183 -10.908 -6.715 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.540 -11.040 -5.180 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.162 -12.382 -6.120 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.377 -11.011 -7.460 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.184 -10.932 -8.124 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.581 -9.632 -7.213 1.00 30.06 H new ATOM 541 N GLU A 34 -7.421 -8.065 -4.781 1.00 10.11 N ATOM 542 CA GLU A 34 -8.586 -7.985 -3.948 1.00 10.07 C ATOM 543 C GLU A 34 -9.750 -7.393 -4.586 1.00 9.32 C ATOM 544 O GLU A 34 -10.887 -7.675 -4.239 1.00 11.61 O ATOM 545 CB GLU A 34 -8.350 -7.063 -2.718 1.00 14.77 C ATOM 546 CG GLU A 34 -7.497 -7.683 -1.614 1.00 18.75 C ATOM 547 CD GLU A 34 -8.251 -8.779 -0.898 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.152 -8.530 -0.052 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.022 -10.009 -1.092 1.00 21.95 O ATOM 0 H GLU A 34 -7.333 -7.305 -5.456 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.766 -9.030 -3.695 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.872 -6.144 -3.056 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.317 -6.784 -2.299 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.580 -8.088 -2.042 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.203 -6.913 -0.901 1.00 18.75 H new ATOM 556 N GLY A 35 -9.536 -6.546 -5.581 1.00 7.22 N ATOM 557 CA GLY A 35 -10.607 -5.781 -6.271 1.00 6.29 C ATOM 558 C GLY A 35 -10.825 -4.391 -5.786 1.00 6.93 C ATOM 559 O GLY A 35 -11.557 -3.653 -6.480 1.00 7.41 O ATOM 0 H GLY A 35 -8.605 -6.356 -5.950 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.372 -5.742 -7.335 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.543 -6.331 -6.171 1.00 6.29 H new ATOM 563 N ILE A 36 -10.182 -4.009 -4.642 1.00 5.86 N ATOM 564 CA ILE A 36 -10.412 -2.660 -4.116 1.00 6.07 C ATOM 565 C ILE A 36 -9.828 -1.572 -5.015 1.00 6.36 C ATOM 566 O ILE A 36 -8.642 -1.601 -5.320 1.00 6.18 O ATOM 567 CB ILE A 36 -9.933 -2.408 -2.673 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.237 -3.573 -1.697 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.538 -1.064 -2.102 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.194 -3.554 -0.568 1.00 9.49 C ATOM 0 H ILE A 36 -9.539 -4.590 -4.104 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.500 -2.603 -4.102 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.848 -2.329 -2.740 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.241 -3.469 -1.286 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.206 -4.526 -2.225 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.184 -0.910 -1.083 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.221 -0.228 -2.726 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.626 -1.126 -2.103 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.395 -4.369 0.127 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.197 -3.676 -0.992 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.249 -2.603 -0.038 1.00 9.49 H new ATOM 582 N PRO A 37 -10.646 -0.585 -5.555 1.00 8.65 N ATOM 583 CA PRO A 37 -10.152 0.647 -6.202 1.00 9.18 C ATOM 584 C PRO A 37 -8.889 1.359 -5.517 1.00 9.85 C ATOM 585 O PRO A 37 -9.003 1.687 -4.341 1.00 8.51 O ATOM 586 CB PRO A 37 -11.369 1.515 -6.362 1.00 11.42 C ATOM 587 CG PRO A 37 -12.527 0.553 -6.220 1.00 9.27 C ATOM 588 CD PRO A 37 -12.009 -0.503 -5.194 1.00 8.33 C ATOM 0 HA PRO A 37 -9.700 0.410 -7.165 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.404 2.297 -5.603 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.380 2.012 -7.332 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.423 1.056 -5.858 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.784 0.092 -7.174 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.143 -0.176 -4.163 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.520 -1.460 -5.294 1.00 8.33 H new ATOM 596 N PRO A 38 -7.815 1.716 -6.248 1.00 8.71 N ATOM 597 CA PRO A 38 -6.776 2.646 -5.766 1.00 9.08 C ATOM 598 C PRO A 38 -7.319 3.958 -5.160 1.00 9.28 C ATOM 599 O PRO A 38 -6.677 4.562 -4.310 1.00 6.50 O ATOM 600 CB PRO A 38 -5.885 2.846 -7.079 1.00 10.31 C ATOM 601 CG PRO A 38 -6.016 1.579 -7.900 1.00 10.81 C ATOM 602 CD PRO A 38 -7.479 1.125 -7.554 1.00 12.00 C ATOM 0 HA PRO A 38 -6.215 2.258 -4.916 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.225 3.711 -7.648 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.843 3.028 -6.814 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.887 1.767 -8.966 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.277 0.829 -7.617 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.178 1.460 -8.320 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.546 0.038 -7.514 1.00 12.00 H new ATOM 610 N ASP A 39 -8.522 4.373 -5.634 1.00 11.20 N ATOM 611 CA ASP A 39 -9.118 5.568 -5.083 1.00 14.96 C ATOM 612 C ASP A 39 -9.714 5.414 -3.660 1.00 13.99 C ATOM 613 O ASP A 39 -9.861 6.429 -2.960 1.00 13.75 O ATOM 614 CB ASP A 39 -10.295 6.101 -5.959 1.00 24.16 C ATOM 615 CG ASP A 39 -9.786 6.741 -7.216 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.919 7.680 -7.120 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.274 6.333 -8.302 1.00 34.22 O ATOM 0 H ASP A 39 -9.061 3.907 -6.364 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.270 6.252 -5.054 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.966 5.280 -6.211 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.878 6.825 -5.389 1.00 24.16 H new ATOM 622 N GLN A 40 -10.021 4.182 -3.230 1.00 11.60 N ATOM 623 CA GLN A 40 -10.528 3.913 -1.875 1.00 10.76 C ATOM 624 C GLN A 40 -9.433 3.471 -0.905 1.00 8.01 C ATOM 625 O GLN A 40 -9.652 3.583 0.319 1.00 8.96 O ATOM 626 CB GLN A 40 -11.461 2.694 -2.084 1.00 11.14 C ATOM 627 CG GLN A 40 -12.654 3.129 -2.950 1.00 14.85 C ATOM 628 CD GLN A 40 -13.845 2.143 -3.007 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.075 1.249 -2.178 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.678 2.270 -4.029 1.00 18.16 N ATOM 0 H GLN A 40 -9.926 3.347 -3.808 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.987 4.807 -1.454 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.919 1.882 -2.568 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.810 2.316 -1.123 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.018 4.087 -2.578 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.298 3.297 -3.966 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.519 2.994 -4.729 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.478 1.644 -4.116 1.00 18.16 H new ATOM 639 N GLN A 41 -8.306 3.017 -1.409 1.00 6.52 N ATOM 640 CA GLN A 41 -7.202 2.520 -0.585 1.00 3.87 C ATOM 641 C GLN A 41 -6.419 3.782 -0.143 1.00 4.79 C ATOM 642 O GLN A 41 -6.036 4.632 -0.917 1.00 6.34 O ATOM 643 CB GLN A 41 -6.336 1.510 -1.355 1.00 4.20 C ATOM 644 CG GLN A 41 -7.020 0.185 -1.842 1.00 3.20 C ATOM 645 CD GLN A 41 -5.875 -0.432 -2.686 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.747 -0.526 -2.234 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.237 -0.688 -3.929 1.00 7.13 N ATOM 0 H GLN A 41 -8.119 2.978 -2.411 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.554 1.965 0.285 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.927 2.017 -2.229 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.493 1.238 -0.720 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.316 -0.457 -1.013 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.915 0.374 -2.434 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.212 -0.578 -4.209 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.542 -0.996 -4.609 1.00 7.13 H new ATOM 656 N ARG A 42 -5.965 3.767 1.176 1.00 5.73 N ATOM 657 CA ARG A 42 -4.805 4.426 1.630 1.00 6.97 C ATOM 658 C ARG A 42 -3.909 3.496 2.375 1.00 7.15 C ATOM 659 O ARG A 42 -4.296 2.878 3.371 1.00 7.33 O ATOM 660 CB ARG A 42 -5.039 5.516 2.621 1.00 13.23 C ATOM 661 CG ARG A 42 -5.523 6.752 1.858 1.00 21.27 C ATOM 662 CD ARG A 42 -5.381 8.013 2.673 1.00 26.14 C ATOM 663 NE ARG A 42 -5.726 9.183 1.844 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.090 10.383 2.361 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.063 10.620 3.665 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.503 11.390 1.605 1.00 36.39 N ATOM 0 H ARG A 42 -6.455 3.266 1.917 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.388 4.823 0.704 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.781 5.208 3.358 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.122 5.739 3.166 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.955 6.852 0.933 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.568 6.618 1.577 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.033 7.969 3.546 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.360 8.106 3.042 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.689 9.085 0.829 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.762 9.889 4.310 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.343 11.533 4.023 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.557 11.279 0.592 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.767 12.276 2.036 1.00 36.39 H new ATOM 680 N LEU A 43 -2.635 3.375 1.963 1.00 4.65 N ATOM 681 CA LEU A 43 -1.638 2.466 2.589 1.00 3.51 C ATOM 682 C LEU A 43 -0.989 3.129 3.829 1.00 5.56 C ATOM 683 O LEU A 43 -1.013 4.351 3.953 1.00 4.19 O ATOM 684 CB LEU A 43 -0.556 1.991 1.603 1.00 3.74 C ATOM 685 CG LEU A 43 -1.038 1.543 0.150 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.089 0.791 -0.470 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.330 0.637 0.186 1.00 6.41 C ATOM 0 H LEU A 43 -2.257 3.907 1.179 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.187 1.579 2.906 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.170 2.796 1.485 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.030 1.152 2.058 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.305 2.430 -0.425 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.198 0.464 -1.469 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.964 1.437 -0.537 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.326 -0.079 0.142 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.611 0.363 -0.831 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.125 -0.266 0.761 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.147 1.187 0.652 1.00 6.41 H new ATOM 699 N ILE A 44 -0.482 2.341 4.768 1.00 4.58 N ATOM 700 CA ILE A 44 0.033 2.752 6.001 1.00 5.55 C ATOM 701 C ILE A 44 1.400 2.025 6.238 1.00 5.46 C ATOM 702 O ILE A 44 1.505 0.784 6.094 1.00 6.04 O ATOM 703 CB ILE A 44 -0.858 2.339 7.217 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.335 2.796 7.059 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.201 2.950 8.469 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.522 4.333 7.086 1.00 13.90 C ATOM 0 H ILE A 44 -0.431 1.330 4.647 1.00 4.58 H new ATOM 0 HA ILE A 44 0.103 3.839 5.951 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.911 1.253 7.293 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.726 2.409 6.118 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.930 2.353 7.858 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.787 2.690 9.351 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.810 2.558 8.577 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.161 4.034 8.366 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.579 4.573 6.970 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.163 4.727 8.037 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.956 4.783 6.270 1.00 13.90 H new ATOM 718 N PHE A 45 2.436 2.807 6.653 1.00 6.75 N ATOM 719 CA PHE A 45 3.626 2.268 7.234 1.00 4.70 C ATOM 720 C PHE A 45 3.893 2.910 8.555 1.00 6.34 C ATOM 721 O PHE A 45 3.781 4.157 8.559 1.00 5.45 O ATOM 722 CB PHE A 45 4.897 2.507 6.404 1.00 5.51 C ATOM 723 CG PHE A 45 6.112 1.681 6.808 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.061 0.287 6.753 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.281 2.331 7.191 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.189 -0.437 7.161 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.438 1.579 7.549 1.00 6.64 C ATOM 728 CZ PHE A 45 8.382 0.199 7.515 1.00 6.84 C ATOM 0 H PHE A 45 2.436 3.824 6.579 1.00 6.75 H new ATOM 0 HA PHE A 45 3.433 1.197 7.302 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.671 2.300 5.358 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.159 3.563 6.470 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.174 -0.221 6.405 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.312 3.410 7.217 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.135 -1.515 7.203 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.347 2.082 7.843 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.256 -0.386 7.761 1.00 6.84 H new ATOM 738 N ALA A 46 4.224 2.170 9.618 1.00 6.53 N ATOM 739 CA ALA A 46 4.545 2.715 10.929 1.00 7.15 C ATOM 740 C ALA A 46 3.596 3.721 11.497 1.00 9.00 C ATOM 741 O ALA A 46 4.033 4.786 11.984 1.00 11.15 O ATOM 742 CB ALA A 46 6.040 3.137 11.093 1.00 8.99 C ATOM 0 H ALA A 46 4.276 1.152 9.584 1.00 6.53 H new ATOM 0 HA ALA A 46 4.389 1.844 11.566 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.198 3.533 12.096 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.682 2.269 10.940 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.284 3.904 10.358 1.00 8.99 H new ATOM 748 N GLY A 47 2.271 3.495 11.481 1.00 9.35 N ATOM 749 CA GLY A 47 1.253 4.423 12.011 1.00 11.68 C ATOM 750 C GLY A 47 0.922 5.572 11.065 1.00 11.14 C ATOM 751 O GLY A 47 -0.037 6.325 11.252 1.00 13.93 O ATOM 0 H GLY A 47 1.867 2.643 11.091 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.341 3.865 12.225 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.605 4.833 12.958 1.00 11.68 H new ATOM 755 N LYS A 48 1.480 5.698 9.829 1.00 10.47 N ATOM 756 CA LYS A 48 1.348 6.870 8.966 1.00 8.82 C ATOM 757 C LYS A 48 0.812 6.565 7.579 1.00 7.68 C ATOM 758 O LYS A 48 1.181 5.593 6.973 1.00 6.47 O ATOM 759 CB LYS A 48 2.769 7.476 8.705 1.00 9.74 C ATOM 760 CG LYS A 48 2.914 8.785 7.890 1.00 14.14 C ATOM 761 CD LYS A 48 4.329 9.349 7.961 1.00 16.32 C ATOM 762 CE LYS A 48 4.647 10.326 6.816 1.00 20.04 C ATOM 763 NZ LYS A 48 6.035 10.748 6.947 1.00 23.92 N ATOM 0 H LYS A 48 2.045 4.960 9.410 1.00 10.47 H new ATOM 0 HA LYS A 48 0.658 7.530 9.491 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.233 7.646 9.677 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.360 6.712 8.199 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.651 8.595 6.849 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.209 9.526 8.266 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.463 9.860 8.914 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.043 8.526 7.938 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.486 9.845 5.851 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.982 11.189 6.857 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.270 11.410 6.181 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.170 11.218 7.865 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.657 9.917 6.889 1.00 23.92 H new ATOM 777 N GLN A 49 -0.084 7.423 7.036 1.00 8.89 N ATOM 778 CA GLN A 49 -0.541 7.400 5.635 1.00 7.18 C ATOM 779 C GLN A 49 0.505 7.640 4.616 1.00 8.23 C ATOM 780 O GLN A 49 1.403 8.461 4.757 1.00 9.70 O ATOM 781 CB GLN A 49 -1.829 8.200 5.461 1.00 11.67 C ATOM 782 CG GLN A 49 -2.937 7.674 6.281 1.00 15.82 C ATOM 783 CD GLN A 49 -3.976 8.752 6.573 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.775 9.150 5.711 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.840 9.336 7.809 1.00 20.67 N ATOM 0 H GLN A 49 -0.518 8.169 7.579 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.796 6.363 5.416 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.645 9.240 5.729 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.121 8.188 4.411 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.411 6.841 5.762 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.543 7.283 7.219 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.165 8.964 8.477 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.414 10.142 8.058 1.00 20.67 H new ATOM 794 N LEU A 50 0.390 6.955 3.452 1.00 6.51 N ATOM 795 CA LEU A 50 1.426 6.988 2.429 1.00 7.41 C ATOM 796 C LEU A 50 0.786 7.528 1.168 1.00 8.27 C ATOM 797 O LEU A 50 -0.347 7.207 0.929 1.00 8.34 O ATOM 798 CB LEU A 50 2.019 5.579 2.080 1.00 7.13 C ATOM 799 CG LEU A 50 2.603 4.765 3.291 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.038 3.320 2.968 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.724 5.430 4.085 1.00 9.11 C ATOM 0 H LEU A 50 -0.416 6.377 3.212 1.00 6.51 H new ATOM 0 HA LEU A 50 2.244 7.599 2.811 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.237 4.983 1.609 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.809 5.711 1.340 1.00 7.13 H new ATOM 0 HG LEU A 50 1.716 4.741 3.923 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.426 2.847 3.870 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.181 2.755 2.602 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.815 3.336 2.204 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.040 4.769 4.892 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.569 5.628 3.426 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.364 6.369 4.505 1.00 9.11 H new ATOM 813 N GLU A 51 1.483 8.439 0.484 1.00 9.43 N ATOM 814 CA GLU A 51 0.930 9.192 -0.601 1.00 11.90 C ATOM 815 C GLU A 51 1.288 8.577 -1.953 1.00 11.49 C ATOM 816 O GLU A 51 2.292 7.865 -2.164 1.00 9.88 O ATOM 817 CB GLU A 51 1.246 10.696 -0.552 1.00 16.56 C ATOM 818 CG GLU A 51 0.680 11.401 0.704 1.00 26.06 C ATOM 819 CD GLU A 51 1.046 12.900 0.654 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.672 13.396 -0.351 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.593 13.564 1.605 1.00 32.13 O ATOM 0 H GLU A 51 2.458 8.663 0.685 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.151 9.127 -0.476 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.327 10.834 -0.581 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.839 11.175 -1.443 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.402 11.280 0.747 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.088 10.945 1.606 1.00 26.06 H new ATOM 828 N ASP A 52 0.448 8.833 -2.960 1.00 12.71 N ATOM 829 CA ASP A 52 0.523 8.130 -4.242 1.00 16.56 C ATOM 830 C ASP A 52 1.909 8.209 -4.897 1.00 15.83 C ATOM 831 O ASP A 52 2.448 7.210 -5.419 1.00 17.21 O ATOM 832 CB ASP A 52 -0.443 8.694 -5.215 1.00 21.05 C ATOM 833 CG ASP A 52 -1.814 8.205 -4.761 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.210 8.579 -3.635 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.405 7.421 -5.498 1.00 28.37 O ATOM 0 H ASP A 52 -0.297 9.528 -2.910 1.00 12.71 H new ATOM 0 HA ASP A 52 0.295 7.091 -4.006 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.399 9.783 -5.225 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.222 8.357 -6.228 1.00 21.05 H new ATOM 840 N GLY A 53 2.428 9.433 -4.994 1.00 15.00 N ATOM 841 CA GLY A 53 3.547 9.932 -5.795 1.00 11.77 C ATOM 842 C GLY A 53 4.882 9.643 -5.208 1.00 11.10 C ATOM 843 O GLY A 53 5.888 10.012 -5.734 1.00 11.25 O ATOM 0 H GLY A 53 2.024 10.192 -4.445 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.495 9.490 -6.790 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.441 11.010 -5.919 1.00 11.77 H new ATOM 847 N ARG A 54 4.899 8.986 -4.049 1.00 8.53 N ATOM 848 CA ARG A 54 6.153 8.692 -3.361 1.00 9.05 C ATOM 849 C ARG A 54 6.451 7.249 -3.588 1.00 8.96 C ATOM 850 O ARG A 54 5.534 6.478 -3.758 1.00 11.60 O ATOM 851 CB ARG A 54 5.937 8.854 -1.873 1.00 7.97 C ATOM 852 CG ARG A 54 6.043 10.265 -1.305 1.00 9.62 C ATOM 853 CD ARG A 54 7.534 10.802 -1.131 1.00 12.20 C ATOM 854 NE ARG A 54 7.418 12.253 -0.627 1.00 18.23 N ATOM 855 CZ ARG A 54 8.363 13.242 -0.823 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.583 13.016 -1.343 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.091 14.504 -0.513 1.00 23.38 N ATOM 0 H ARG A 54 4.064 8.649 -3.570 1.00 8.53 H new ATOM 0 HA ARG A 54 6.948 9.346 -3.719 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.948 8.465 -1.631 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.662 8.226 -1.356 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.499 10.947 -1.959 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.547 10.290 -0.335 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.088 10.187 -0.421 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.074 10.761 -2.077 1.00 12.20 H new ATOM 0 HE ARG A 54 6.577 12.504 -0.107 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.854 12.072 -1.617 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.237 13.789 -1.463 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.179 14.749 -0.127 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.794 15.228 -0.661 1.00 23.38 H new ATOM 871 N THR A 55 7.768 6.849 -3.623 1.00 9.05 N ATOM 872 CA THR A 55 8.164 5.523 -3.700 1.00 9.03 C ATOM 873 C THR A 55 8.371 4.786 -2.362 1.00 8.15 C ATOM 874 O THR A 55 8.392 5.425 -1.297 1.00 5.91 O ATOM 875 CB THR A 55 9.429 5.247 -4.437 1.00 11.15 C ATOM 876 OG1 THR A 55 10.530 5.868 -3.840 1.00 11.95 O ATOM 877 CG2 THR A 55 9.317 5.798 -5.819 1.00 11.71 C ATOM 0 H THR A 55 8.548 7.505 -3.594 1.00 9.05 H new ATOM 0 HA THR A 55 7.290 5.155 -4.237 1.00 9.03 H new ATOM 0 HB THR A 55 9.577 4.167 -4.432 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.261 5.222 -3.750 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.239 5.600 -6.365 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.481 5.323 -6.333 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.148 6.874 -5.769 1.00 11.71 H new ATOM 885 N LEU A 56 8.444 3.433 -2.403 1.00 6.91 N ATOM 886 CA LEU A 56 8.810 2.585 -1.269 1.00 8.29 C ATOM 887 C LEU A 56 10.173 2.953 -0.719 1.00 8.05 C ATOM 888 O LEU A 56 10.334 3.181 0.466 1.00 10.17 O ATOM 889 CB LEU A 56 8.729 1.039 -1.789 1.00 6.60 C ATOM 890 CG LEU A 56 7.356 0.509 -2.110 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.507 -0.875 -2.876 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.334 0.445 -0.951 1.00 8.64 C ATOM 0 H LEU A 56 8.243 2.901 -3.250 1.00 6.91 H new ATOM 0 HA LEU A 56 8.124 2.727 -0.434 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.348 0.946 -2.682 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.172 0.399 -1.026 1.00 6.60 H new ATOM 0 HG LEU A 56 6.894 1.258 -2.752 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.519 -1.269 -3.114 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.068 -0.721 -3.798 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.038 -1.586 -2.242 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.390 0.045 -1.320 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.718 -0.202 -0.162 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.173 1.447 -0.552 1.00 8.64 H new ATOM 904 N SER A 57 11.201 3.171 -1.532 1.00 8.92 N ATOM 905 CA SER A 57 12.458 3.774 -1.011 1.00 9.00 C ATOM 906 C SER A 57 12.432 5.140 -0.275 1.00 9.44 C ATOM 907 O SER A 57 13.159 5.310 0.695 1.00 10.91 O ATOM 908 CB SER A 57 13.564 3.765 -2.093 1.00 10.32 C ATOM 909 OG SER A 57 13.211 4.643 -3.184 1.00 13.59 O ATOM 0 H SER A 57 11.208 2.953 -2.528 1.00 8.92 H new ATOM 0 HA SER A 57 12.669 3.098 -0.182 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.511 4.081 -1.656 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.708 2.751 -2.466 1.00 10.32 H new ATOM 0 HG SER A 57 13.921 4.627 -3.859 1.00 13.59 H new ATOM 915 N ASP A 58 11.632 6.109 -0.833 1.00 9.11 N ATOM 916 CA ASP A 58 11.466 7.531 -0.328 1.00 7.91 C ATOM 917 C ASP A 58 10.756 7.482 1.022 1.00 9.12 C ATOM 918 O ASP A 58 11.221 8.152 1.940 1.00 8.61 O ATOM 919 CB ASP A 58 10.633 8.355 -1.282 1.00 8.41 C ATOM 920 CG ASP A 58 10.847 9.886 -1.150 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.395 10.296 -0.095 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.532 10.649 -2.088 1.00 11.70 O ATOM 0 H ASP A 58 11.070 5.926 -1.664 1.00 9.11 H new ATOM 0 HA ASP A 58 12.451 7.991 -0.242 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.865 8.053 -2.303 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.580 8.130 -1.115 1.00 8.41 H new ATOM 927 N TYR A 59 9.738 6.578 1.253 1.00 7.97 N ATOM 928 CA TYR A 59 9.180 6.346 2.582 1.00 8.45 C ATOM 929 C TYR A 59 10.004 5.326 3.380 1.00 10.98 C ATOM 930 O TYR A 59 9.457 4.936 4.447 1.00 12.95 O ATOM 931 CB TYR A 59 7.730 5.828 2.433 1.00 7.94 C ATOM 932 CG TYR A 59 6.664 6.877 2.189 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.473 7.859 3.185 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.784 6.818 1.010 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.405 8.739 3.086 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.693 7.703 0.980 1.00 6.52 C ATOM 937 CZ TYR A 59 4.571 8.654 1.924 1.00 6.76 C ATOM 938 OH TYR A 59 3.663 9.686 1.810 1.00 7.63 O ATOM 0 H TYR A 59 9.309 6.015 0.519 1.00 7.97 H new ATOM 0 HA TYR A 59 9.201 7.289 3.128 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.704 5.116 1.608 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.468 5.278 3.337 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.155 7.925 4.020 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.969 6.124 0.203 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.208 9.465 3.861 1.00 5.39 H new ATOM 0 HE2 TYR A 59 3.952 7.620 0.199 1.00 6.52 H new ATOM 0 HH TYR A 59 4.032 10.494 2.225 1.00 7.63 H new ATOM 948 N ASN A 60 11.224 4.878 2.991 1.00 12.38 N ATOM 949 CA ASN A 60 12.132 4.123 3.799 1.00 13.94 C ATOM 950 C ASN A 60 11.611 2.674 4.126 1.00 14.16 C ATOM 951 O ASN A 60 11.769 2.192 5.215 1.00 14.26 O ATOM 952 CB ASN A 60 12.589 4.869 5.061 1.00 19.23 C ATOM 953 CG ASN A 60 13.355 6.061 4.495 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.531 5.931 4.091 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.803 7.287 4.521 1.00 24.09 N ATOM 0 H ASN A 60 11.591 5.058 2.056 1.00 12.38 H new ATOM 0 HA ASN A 60 13.021 3.999 3.180 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.743 5.185 5.672 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.222 4.245 5.692 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.343 8.096 4.214 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.844 7.408 4.848 1.00 24.09 H new ATOM 962 N ILE A 61 10.999 2.016 3.131 1.00 11.08 N ATOM 963 CA ILE A 61 10.233 0.799 3.265 1.00 11.78 C ATOM 964 C ILE A 61 11.028 -0.276 2.552 1.00 13.74 C ATOM 965 O ILE A 61 11.242 -0.192 1.351 1.00 14.60 O ATOM 966 CB ILE A 61 8.803 0.929 2.759 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.028 1.999 3.594 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.030 -0.427 2.800 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.625 2.352 3.012 1.00 11.42 C ATOM 0 H ILE A 61 11.036 2.347 2.167 1.00 11.08 H new ATOM 0 HA ILE A 61 10.097 0.543 4.316 1.00 11.78 H new ATOM 0 HB ILE A 61 8.863 1.243 1.717 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.907 1.634 4.614 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.628 2.908 3.650 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.016 -0.279 2.429 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.543 -1.157 2.174 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.991 -0.793 3.826 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.147 3.100 3.644 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.739 2.748 2.003 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.007 1.454 2.982 1.00 11.42 H new ATOM 981 N GLN A 62 11.651 -1.162 3.314 1.00 13.97 N ATOM 982 CA GLN A 62 12.654 -2.121 2.931 1.00 15.52 C ATOM 983 C GLN A 62 12.029 -3.518 2.628 1.00 13.94 C ATOM 984 O GLN A 62 10.845 -3.788 2.793 1.00 12.15 O ATOM 985 CB GLN A 62 13.730 -2.235 4.056 1.00 19.53 C ATOM 986 CG GLN A 62 14.392 -0.875 4.346 1.00 26.38 C ATOM 987 CD GLN A 62 15.622 -0.956 5.366 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.467 -0.739 6.543 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.877 -1.244 4.918 1.00 32.71 N ATOM 0 H GLN A 62 11.440 -1.226 4.310 1.00 13.97 H new ATOM 0 HA GLN A 62 13.126 -1.771 2.013 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.267 -2.617 4.966 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.492 -2.956 3.760 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.739 -0.444 3.407 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.642 -0.196 4.751 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.035 -1.431 3.928 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.658 -1.272 5.573 1.00 32.71 H new ATOM 998 N LYS A 63 12.836 -4.467 2.166 1.00 11.73 N ATOM 999 CA LYS A 63 12.520 -5.914 2.085 1.00 11.97 C ATOM 1000 C LYS A 63 11.724 -6.504 3.245 1.00 10.41 C ATOM 1001 O LYS A 63 11.957 -6.241 4.421 1.00 9.59 O ATOM 1002 CB LYS A 63 13.734 -6.795 1.796 1.00 13.73 C ATOM 1003 CG LYS A 63 14.832 -6.732 2.874 1.00 16.98 C ATOM 1004 CD LYS A 63 16.147 -7.388 2.294 1.00 20.19 C ATOM 1005 CE LYS A 63 16.008 -8.843 1.954 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.318 -9.455 1.642 1.00 25.97 N ATOM 0 H LYS A 63 13.771 -4.254 1.820 1.00 11.73 H new ATOM 0 HA LYS A 63 11.852 -5.931 1.224 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.402 -7.828 1.691 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.163 -6.500 0.839 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.021 -5.698 3.162 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.511 -7.259 3.772 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.447 -6.844 1.398 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.950 -7.271 3.022 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.549 -9.371 2.790 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.340 -8.956 1.100 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.185 -10.460 1.412 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.744 -8.967 0.829 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.947 -9.369 2.466 1.00 25.97 H new ATOM 1020 N GLU A 64 10.626 -7.286 2.937 1.00 10.04 N ATOM 1021 CA GLU A 64 9.803 -8.107 3.841 1.00 10.94 C ATOM 1022 C GLU A 64 9.051 -7.281 4.868 1.00 9.74 C ATOM 1023 O GLU A 64 8.559 -7.736 5.895 1.00 9.42 O ATOM 1024 CB GLU A 64 10.610 -9.176 4.508 1.00 18.31 C ATOM 1025 CG GLU A 64 11.412 -10.026 3.456 1.00 24.16 C ATOM 1026 CD GLU A 64 12.254 -11.046 4.232 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.221 -10.673 4.945 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.867 -12.246 4.150 1.00 31.72 O ATOM 0 H GLU A 64 10.289 -7.347 1.976 1.00 10.04 H new ATOM 0 HA GLU A 64 9.055 -8.588 3.210 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.303 -8.723 5.217 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.951 -9.829 5.080 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.730 -10.532 2.773 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.051 -9.383 2.851 1.00 24.16 H new ATOM 1035 N SER A 65 8.932 -5.971 4.614 1.00 6.85 N ATOM 1036 CA SER A 65 8.239 -4.961 5.408 1.00 6.90 C ATOM 1037 C SER A 65 6.765 -5.261 5.477 1.00 4.72 C ATOM 1038 O SER A 65 6.191 -5.781 4.537 1.00 3.91 O ATOM 1039 CB SER A 65 8.434 -3.494 4.891 1.00 7.28 C ATOM 1040 OG SER A 65 9.841 -3.146 5.033 1.00 10.56 O ATOM 0 H SER A 65 9.354 -5.563 3.780 1.00 6.85 H new ATOM 0 HA SER A 65 8.693 -5.014 6.398 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.126 -3.414 3.849 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.812 -2.804 5.461 1.00 7.28 H new ATOM 0 HG SER A 65 10.373 -3.671 4.399 1.00 10.56 H new ATOM 1046 N THR A 66 6.127 -4.819 6.564 1.00 4.48 N ATOM 1047 CA THR A 66 4.722 -4.965 6.736 1.00 3.80 C ATOM 1048 C THR A 66 4.028 -3.605 6.573 1.00 4.60 C ATOM 1049 O THR A 66 4.255 -2.625 7.299 1.00 5.33 O ATOM 1050 CB THR A 66 4.351 -5.351 8.192 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.084 -6.535 8.533 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.899 -5.747 8.265 1.00 3.40 C ATOM 0 H THR A 66 6.594 -4.351 7.340 1.00 4.48 H new ATOM 0 HA THR A 66 4.420 -5.720 6.010 1.00 3.80 H new ATOM 0 HB THR A 66 4.565 -4.507 8.848 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.868 -6.800 9.452 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.647 -6.017 9.291 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.277 -4.910 7.946 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.721 -6.601 7.611 1.00 3.40 H new ATOM 1060 N LEU A 67 3.079 -3.529 5.669 1.00 4.17 N ATOM 1061 CA LEU A 67 2.184 -2.424 5.510 1.00 3.85 C ATOM 1062 C LEU A 67 0.807 -2.754 6.110 1.00 3.80 C ATOM 1063 O LEU A 67 0.442 -3.946 6.257 1.00 5.54 O ATOM 1064 CB LEU A 67 2.080 -1.950 4.055 1.00 7.18 C ATOM 1065 CG LEU A 67 3.347 -1.140 3.606 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.639 -1.917 3.522 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.073 -0.433 2.230 1.00 11.66 C ATOM 0 H LEU A 67 2.908 -4.276 4.996 1.00 4.17 H new ATOM 0 HA LEU A 67 2.603 -1.584 6.064 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.951 -2.813 3.401 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.193 -1.328 3.939 1.00 7.18 H new ATOM 0 HG LEU A 67 3.504 -0.418 4.408 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.442 -1.253 3.202 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.879 -2.331 4.501 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.530 -2.728 2.802 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.958 0.127 1.926 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.842 -1.184 1.475 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.229 0.250 2.333 1.00 11.66 H new ATOM 1079 N HIS A 68 0.024 -1.733 6.341 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.310 -1.916 6.786 1.00 4.17 C ATOM 1081 C HIS A 68 -2.153 -1.019 5.865 1.00 5.32 C ATOM 1082 O HIS A 68 -1.592 -0.196 5.143 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.496 -1.455 8.191 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.934 -2.363 9.273 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.389 -2.484 9.549 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.571 -3.165 10.160 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.517 -3.336 10.571 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.621 -3.792 10.954 1.00 16.30 N ATOM 0 H HIS A 68 0.303 -0.759 6.223 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.586 -2.970 6.755 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.035 -0.473 8.294 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.563 -1.326 8.371 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.640 -3.295 10.236 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.461 -3.608 11.020 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.792 -4.476 11.691 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.482 -1.205 5.812 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.335 -0.709 4.758 1.00 3.97 C ATOM 1098 C LEU A 69 -5.547 -0.031 5.386 1.00 5.07 C ATOM 1099 O LEU A 69 -6.142 -0.575 6.309 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.917 -1.836 3.919 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.875 -1.595 2.699 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.180 -0.749 1.647 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.354 -2.950 2.025 1.00 9.96 C ATOM 0 H LEU A 69 -3.992 -1.721 6.529 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.726 -0.045 4.145 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.069 -2.405 3.537 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.454 -2.488 4.608 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.753 -1.080 3.089 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.854 -0.588 0.806 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.903 0.213 2.078 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.283 -1.263 1.301 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.014 -2.726 1.187 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.487 -3.504 1.666 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.891 -3.552 2.759 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.979 1.146 4.978 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.262 1.696 5.494 1.00 6.26 C ATOM 1117 C VAL A 70 -8.140 2.084 4.315 1.00 9.22 C ATOM 1118 O VAL A 70 -7.657 2.579 3.301 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.049 2.856 6.453 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.173 2.532 7.741 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.252 4.014 5.819 1.00 8.54 C ATOM 0 H VAL A 70 -5.491 1.742 4.309 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.766 0.926 6.077 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.080 3.096 6.712 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.084 3.428 8.355 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.653 1.742 8.318 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.180 2.204 7.433 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.130 4.814 6.549 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.271 3.654 5.509 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.790 4.394 4.951 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.427 1.892 4.437 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.319 1.980 3.259 1.00 16.06 C ATOM 1133 C LEU A 71 -11.365 3.053 3.478 1.00 18.09 C ATOM 1134 O LEU A 71 -12.089 3.124 4.445 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.988 0.652 2.933 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.032 -0.493 2.607 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.870 -1.711 2.185 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.017 -0.102 1.550 1.00 19.57 C ATOM 0 H LEU A 71 -9.897 1.676 5.316 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.697 2.243 2.403 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.607 0.357 3.780 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.657 0.799 2.085 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.446 -0.744 3.491 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.208 -2.543 1.947 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.533 -1.997 3.002 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.464 -1.457 1.307 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.357 -0.946 1.349 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.536 0.179 0.634 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.427 0.742 1.907 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.538 4.004 2.492 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.584 5.011 2.355 1.00 25.83 C ATOM 1152 C ARG A 72 -13.678 4.546 1.473 1.00 27.74 C ATOM 1153 O ARG A 72 -13.505 4.375 0.284 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.036 6.369 1.819 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.982 7.497 1.834 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.470 8.826 1.256 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.742 9.515 0.716 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.836 10.250 -0.408 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.813 10.270 -1.303 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.914 11.013 -0.653 1.00 35.02 N ATOM 0 H ARG A 72 -10.874 4.065 1.720 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.976 5.170 3.360 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.163 6.645 2.410 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.694 6.221 0.795 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.873 7.203 1.278 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -13.292 7.669 2.865 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.982 9.432 2.020 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.739 8.661 0.464 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.594 9.402 1.265 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.969 9.726 -1.125 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.890 10.829 -2.153 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.681 11.043 0.019 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.966 11.562 -1.511 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.875 4.305 2.085 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.948 3.587 1.521 1.00 30.76 C ATOM 1176 C LEU A 73 -17.039 4.544 1.032 1.00 32.18 C ATOM 1177 O LEU A 73 -17.289 5.589 1.642 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.404 2.499 2.468 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.306 1.543 2.985 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.868 0.530 3.946 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.601 0.820 1.829 1.00 29.11 C ATOM 0 H LEU A 73 -15.079 4.641 3.026 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.628 3.059 0.623 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.881 2.970 3.327 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.167 1.905 1.966 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.575 2.157 3.511 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.069 -0.127 4.291 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.309 1.044 4.800 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.633 -0.062 3.444 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.835 0.156 2.229 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.330 0.236 1.266 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.137 1.554 1.170 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.781 4.205 -0.064 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.838 5.029 -0.703 1.00 35.33 C ATOM 1195 C ARG A 74 -20.135 5.164 0.131 1.00 36.22 C ATOM 1196 O ARG A 74 -20.856 6.195 0.138 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.130 4.473 -2.113 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.947 4.629 -3.088 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.309 6.021 -3.217 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.516 6.077 -4.477 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.723 7.136 -4.808 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.763 8.269 -4.110 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.933 7.090 -5.880 1.00 41.93 N ATOM 0 H ARG A 74 -17.649 3.313 -0.541 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.451 6.046 -0.771 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.389 3.417 -2.033 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.000 4.984 -2.524 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.168 3.929 -2.785 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.285 4.321 -4.078 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.082 6.790 -3.224 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.667 6.222 -2.359 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.569 5.288 -5.121 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.394 8.355 -3.313 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.163 9.051 -4.372 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.916 6.255 -6.465 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.345 7.890 -6.115 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.452 4.078 0.903 1.00 36.31 N ATOM 1218 CA GLY A 75 -21.697 4.012 1.669 1.00 36.07 C ATOM 1219 C GLY A 75 -21.549 4.488 3.083 1.00 36.16 C ATOM 1220 O GLY A 75 -22.532 4.783 3.733 1.00 36.26 O ATOM 0 H GLY A 75 -19.857 3.255 0.998 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -22.456 4.613 1.168 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -22.058 2.983 1.675 1.00 36.07 H new ATOM 1224 N GLY A 76 -20.293 4.876 3.502 1.00 36.05 N ATOM 1225 CA GLY A 76 -20.101 5.467 4.838 1.00 36.19 C ATOM 1226 C GLY A 76 -18.667 5.245 5.374 1.00 36.20 C ATOM 1227 O GLY A 76 -17.886 6.280 5.315 1.00 0.00 O ATOM 1228 OXT GLY A 76 -18.294 4.082 5.731 1.00 0.00 O ATOM 0 H GLY A 76 -19.444 4.787 2.944 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -20.309 6.536 4.794 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -20.819 5.031 5.533 1.00 36.19 H new TER 1232 GLY A 76