USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 1 GLN N :NH3+ 175:sc= -0.421 (180deg=-0.505) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 142:sc= -0.409 (180deg=-1.98!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -25:sc= 0.919 USER MOD Single : A 9 SER OG : rot 180:sc= -0.164 USER MOD Single : A 13 THR OG1 : rot -23:sc= 0.0866 USER MOD Single : A 14 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.48) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 32 HIS : no HE2:sc= -0.105 K(o=-0.095,f=-4.2!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.16 USER MOD Single : A 39 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 143:sc= -5.45! (180deg=-8.52!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.9!) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= -2.82 (180deg=-4.54!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.935 0.323 -1.114 1.00 61.33 N ATOM 2 CA GLN A 1 2.094 0.052 -1.956 1.00 64.31 C ATOM 3 C GLN A 1 2.036 -1.362 -2.524 1.00 61.51 C ATOM 4 O GLN A 1 2.388 -1.592 -3.681 1.00 61.43 O ATOM 5 CB GLN A 1 3.386 0.241 -1.158 1.00 72.24 C ATOM 6 CG GLN A 1 3.417 -0.544 0.143 1.00 25.20 C ATOM 7 CD GLN A 1 4.683 -0.299 0.942 1.00 75.43 C ATOM 8 OE1 GLN A 1 5.494 0.559 0.593 1.00 21.42 O ATOM 9 NE2 GLN A 1 4.857 -1.054 2.020 1.00 3.24 N ATOM 0 H1 GLN A 1 1.038 1.259 -0.672 1.00 61.33 H new ATOM 0 H2 GLN A 1 0.073 0.308 -1.695 1.00 61.33 H new ATOM 0 H3 GLN A 1 0.866 -0.404 -0.374 1.00 61.33 H new ATOM 0 HA GLN A 1 2.081 0.758 -2.786 1.00 64.31 H new ATOM 0 HB2 GLN A 1 4.232 -0.061 -1.775 1.00 72.24 H new ATOM 0 HB3 GLN A 1 3.515 1.300 -0.937 1.00 72.24 H new ATOM 0 HG2 GLN A 1 2.552 -0.272 0.748 1.00 25.20 H new ATOM 0 HG3 GLN A 1 3.331 -1.608 -0.077 1.00 25.20 H new ATOM 0 HE21 GLN A 1 4.158 -1.753 2.271 1.00 3.24 H new ATOM 0 HE22 GLN A 1 5.690 -0.935 2.597 1.00 3.24 H new ATOM 18 N TYR A 2 1.590 -2.306 -1.703 1.00 22.42 N ATOM 19 CA TYR A 2 1.489 -3.699 -2.122 1.00 75.15 C ATOM 20 C TYR A 2 0.399 -4.426 -1.340 1.00 52.30 C ATOM 21 O TYR A 2 -0.308 -3.824 -0.531 1.00 24.24 O ATOM 22 CB TYR A 2 2.829 -4.410 -1.932 1.00 23.33 C ATOM 23 CG TYR A 2 3.868 -4.031 -2.963 1.00 1.43 C ATOM 24 CD1 TYR A 2 3.798 -4.519 -4.261 1.00 71.33 C ATOM 25 CD2 TYR A 2 4.920 -3.182 -2.638 1.00 35.10 C ATOM 26 CE1 TYR A 2 4.745 -4.176 -5.206 1.00 44.40 C ATOM 27 CE2 TYR A 2 5.871 -2.832 -3.577 1.00 13.23 C ATOM 28 CZ TYR A 2 5.780 -3.332 -4.859 1.00 54.50 C ATOM 29 OH TYR A 2 6.725 -2.986 -5.798 1.00 14.44 O ATOM 0 H TYR A 2 1.292 -2.132 -0.743 1.00 22.42 H new ATOM 0 HA TYR A 2 1.224 -3.715 -3.179 1.00 75.15 H new ATOM 0 HB2 TYR A 2 3.215 -4.181 -0.939 1.00 23.33 H new ATOM 0 HB3 TYR A 2 2.668 -5.487 -1.970 1.00 23.33 H new ATOM 0 HD1 TYR A 2 2.988 -5.179 -4.537 1.00 71.33 H new ATOM 0 HD2 TYR A 2 4.995 -2.790 -1.635 1.00 35.10 H new ATOM 0 HE1 TYR A 2 4.676 -4.566 -6.211 1.00 44.40 H new ATOM 0 HE2 TYR A 2 6.681 -2.170 -3.309 1.00 13.23 H new ATOM 0 HH TYR A 2 7.384 -2.385 -5.393 1.00 14.44 H new ATOM 39 N LYS A 3 0.269 -5.725 -1.587 1.00 54.32 N ATOM 40 CA LYS A 3 -0.733 -6.537 -0.906 1.00 43.01 C ATOM 41 C LYS A 3 -0.074 -7.511 0.065 1.00 21.22 C ATOM 42 O LYS A 3 0.689 -8.387 -0.342 1.00 63.43 O ATOM 43 CB LYS A 3 -1.574 -7.308 -1.926 1.00 42.42 C ATOM 44 CG LYS A 3 -2.833 -7.921 -1.337 1.00 45.14 C ATOM 45 CD LYS A 3 -3.760 -8.441 -2.423 1.00 23.10 C ATOM 46 CE LYS A 3 -4.614 -7.327 -3.008 1.00 1.33 C ATOM 47 NZ LYS A 3 -3.932 -6.641 -4.140 1.00 61.11 N ATOM 0 H LYS A 3 0.845 -6.238 -2.254 1.00 54.32 H new ATOM 0 HA LYS A 3 -1.382 -5.869 -0.340 1.00 43.01 H new ATOM 0 HB2 LYS A 3 -1.853 -6.635 -2.737 1.00 42.42 H new ATOM 0 HB3 LYS A 3 -0.965 -8.099 -2.363 1.00 42.42 H new ATOM 0 HG2 LYS A 3 -2.562 -8.737 -0.667 1.00 45.14 H new ATOM 0 HG3 LYS A 3 -3.356 -7.176 -0.737 1.00 45.14 H new ATOM 0 HD2 LYS A 3 -3.171 -8.903 -3.215 1.00 23.10 H new ATOM 0 HD3 LYS A 3 -4.405 -9.217 -2.011 1.00 23.10 H new ATOM 0 HE2 LYS A 3 -5.563 -7.739 -3.352 1.00 1.33 H new ATOM 0 HE3 LYS A 3 -4.846 -6.600 -2.229 1.00 1.33 H new ATOM 0 HZ1 LYS A 3 -4.630 -6.406 -4.875 1.00 61.11 H new ATOM 0 HZ2 LYS A 3 -3.483 -5.768 -3.797 1.00 61.11 H new ATOM 0 HZ3 LYS A 3 -3.206 -7.269 -4.540 1.00 61.11 H new ATOM 61 N ILE A 4 -0.375 -7.353 1.350 1.00 61.33 N ATOM 62 CA ILE A 4 0.186 -8.221 2.378 1.00 44.04 C ATOM 63 C ILE A 4 -0.273 -9.663 2.190 1.00 24.15 C ATOM 64 O ILE A 4 -1.335 -10.055 2.674 1.00 23.24 O ATOM 65 CB ILE A 4 -0.207 -7.748 3.790 1.00 65.13 C ATOM 66 CG1 ILE A 4 0.227 -6.297 4.004 1.00 11.51 C ATOM 67 CG2 ILE A 4 0.414 -8.653 4.843 1.00 23.22 C ATOM 68 CD1 ILE A 4 1.723 -6.093 3.916 1.00 63.42 C ATOM 0 H ILE A 4 -1.004 -6.632 1.704 1.00 61.33 H new ATOM 0 HA ILE A 4 1.270 -8.171 2.276 1.00 44.04 H new ATOM 0 HB ILE A 4 -1.291 -7.801 3.887 1.00 65.13 H new ATOM 0 HG12 ILE A 4 -0.261 -5.667 3.261 1.00 11.51 H new ATOM 0 HG13 ILE A 4 -0.120 -5.963 4.982 1.00 11.51 H new ATOM 0 HG21 ILE A 4 0.127 -8.306 5.836 1.00 23.22 H new ATOM 0 HG22 ILE A 4 0.061 -9.674 4.699 1.00 23.22 H new ATOM 0 HG23 ILE A 4 1.500 -8.628 4.750 1.00 23.22 H new ATOM 0 HD11 ILE A 4 1.957 -5.041 4.078 1.00 63.42 H new ATOM 0 HD12 ILE A 4 2.218 -6.696 4.677 1.00 63.42 H new ATOM 0 HD13 ILE A 4 2.074 -6.395 2.929 1.00 63.42 H new ATOM 80 N TYR A 5 0.535 -10.449 1.487 1.00 2.50 N ATOM 81 CA TYR A 5 0.212 -11.848 1.235 1.00 1.22 C ATOM 82 C TYR A 5 0.731 -12.738 2.361 1.00 53.24 C ATOM 83 O TYR A 5 1.613 -12.358 3.131 1.00 62.24 O ATOM 84 CB TYR A 5 0.806 -12.298 -0.101 1.00 0.23 C ATOM 85 CG TYR A 5 -0.106 -12.054 -1.282 1.00 1.53 C ATOM 86 CD1 TYR A 5 -1.420 -12.505 -1.275 1.00 41.42 C ATOM 87 CD2 TYR A 5 0.347 -11.370 -2.404 1.00 73.50 C ATOM 88 CE1 TYR A 5 -2.256 -12.284 -2.352 1.00 71.24 C ATOM 89 CE2 TYR A 5 -0.483 -11.144 -3.485 1.00 60.33 C ATOM 90 CZ TYR A 5 -1.783 -11.603 -3.455 1.00 32.51 C ATOM 91 OH TYR A 5 -2.614 -11.381 -4.529 1.00 45.34 O ATOM 0 H TYR A 5 1.419 -10.141 1.082 1.00 2.50 H new ATOM 0 HA TYR A 5 -0.873 -11.942 1.192 1.00 1.22 H new ATOM 0 HB2 TYR A 5 1.748 -11.774 -0.265 1.00 0.23 H new ATOM 0 HB3 TYR A 5 1.039 -13.361 -0.046 1.00 0.23 H new ATOM 0 HD1 TYR A 5 -1.794 -13.037 -0.413 1.00 41.42 H new ATOM 0 HD2 TYR A 5 1.365 -11.009 -2.431 1.00 73.50 H new ATOM 0 HE1 TYR A 5 -3.275 -12.642 -2.331 1.00 71.24 H new ATOM 0 HE2 TYR A 5 -0.116 -10.611 -4.349 1.00 60.33 H new ATOM 0 HH TYR A 5 -2.128 -10.887 -5.222 1.00 45.34 H new ATOM 101 N PRO A 6 0.170 -13.952 2.459 1.00 21.31 N ATOM 102 CA PRO A 6 0.560 -14.923 3.486 1.00 60.33 C ATOM 103 C PRO A 6 1.960 -15.481 3.254 1.00 4.34 C ATOM 104 O PRO A 6 2.390 -15.653 2.113 1.00 12.13 O ATOM 105 CB PRO A 6 -0.487 -16.031 3.342 1.00 2.12 C ATOM 106 CG PRO A 6 -0.953 -15.931 1.931 1.00 61.02 C ATOM 107 CD PRO A 6 -0.887 -14.471 1.575 1.00 33.43 C ATOM 0 HA PRO A 6 0.593 -14.475 4.479 1.00 60.33 H new ATOM 0 HB2 PRO A 6 -0.057 -17.011 3.548 1.00 2.12 H new ATOM 0 HB3 PRO A 6 -1.311 -15.891 4.042 1.00 2.12 H new ATOM 0 HG2 PRO A 6 -0.321 -16.523 1.269 1.00 61.02 H new ATOM 0 HG3 PRO A 6 -1.969 -16.312 1.828 1.00 61.02 H new ATOM 0 HD2 PRO A 6 -0.639 -14.325 0.524 1.00 33.43 H new ATOM 0 HD3 PRO A 6 -1.839 -13.971 1.751 1.00 33.43 H new ATOM 115 N TYR A 7 2.668 -15.761 4.343 1.00 34.12 N ATOM 116 CA TYR A 7 4.021 -16.297 4.258 1.00 32.55 C ATOM 117 C TYR A 7 3.997 -17.790 3.942 1.00 54.44 C ATOM 118 O TYR A 7 4.909 -18.315 3.303 1.00 54.02 O ATOM 119 CB TYR A 7 4.771 -16.055 5.569 1.00 31.23 C ATOM 120 CG TYR A 7 6.101 -16.770 5.647 1.00 43.44 C ATOM 121 CD1 TYR A 7 7.214 -16.283 4.972 1.00 0.20 C ATOM 122 CD2 TYR A 7 6.246 -17.931 6.395 1.00 34.24 C ATOM 123 CE1 TYR A 7 8.431 -16.933 5.039 1.00 0.13 C ATOM 124 CE2 TYR A 7 7.459 -18.587 6.470 1.00 62.13 C ATOM 125 CZ TYR A 7 8.549 -18.084 5.790 1.00 73.35 C ATOM 126 OH TYR A 7 9.760 -18.734 5.860 1.00 13.03 O ATOM 0 H TYR A 7 2.327 -15.626 5.295 1.00 34.12 H new ATOM 0 HA TYR A 7 4.539 -15.781 3.450 1.00 32.55 H new ATOM 0 HB2 TYR A 7 4.936 -14.984 5.691 1.00 31.23 H new ATOM 0 HB3 TYR A 7 4.145 -16.378 6.401 1.00 31.23 H new ATOM 0 HD1 TYR A 7 7.126 -15.381 4.385 1.00 0.20 H new ATOM 0 HD2 TYR A 7 5.395 -18.328 6.928 1.00 34.24 H new ATOM 0 HE1 TYR A 7 9.285 -16.542 4.506 1.00 0.13 H new ATOM 0 HE2 TYR A 7 7.554 -19.488 7.057 1.00 62.13 H new ATOM 0 HH TYR A 7 10.289 -18.527 5.062 1.00 13.03 H new ATOM 136 N ASP A 8 2.946 -18.466 4.393 1.00 62.35 N ATOM 137 CA ASP A 8 2.800 -19.898 4.157 1.00 42.04 C ATOM 138 C ASP A 8 2.548 -20.182 2.679 1.00 33.32 C ATOM 139 O ASP A 8 2.957 -21.220 2.158 1.00 52.53 O ATOM 140 CB ASP A 8 1.656 -20.461 5.000 1.00 35.41 C ATOM 141 CG ASP A 8 0.408 -19.603 4.929 1.00 34.54 C ATOM 142 OD1 ASP A 8 0.405 -18.511 5.533 1.00 14.42 O ATOM 143 OD2 ASP A 8 -0.566 -20.025 4.271 1.00 35.41 O ATOM 0 H ASP A 8 2.183 -18.046 4.924 1.00 62.35 H new ATOM 0 HA ASP A 8 3.730 -20.386 4.449 1.00 42.04 H new ATOM 0 HB2 ASP A 8 1.420 -21.469 4.660 1.00 35.41 H new ATOM 0 HB3 ASP A 8 1.979 -20.542 6.038 1.00 35.41 H new ATOM 148 N SER A 9 1.870 -19.254 2.011 1.00 62.54 N ATOM 149 CA SER A 9 1.559 -19.408 0.594 1.00 14.53 C ATOM 150 C SER A 9 2.601 -18.706 -0.270 1.00 45.33 C ATOM 151 O SER A 9 2.635 -18.882 -1.489 1.00 2.11 O ATOM 152 CB SER A 9 0.168 -18.846 0.293 1.00 51.32 C ATOM 153 OG SER A 9 -0.536 -19.683 -0.609 1.00 2.54 O ATOM 0 H SER A 9 1.526 -18.389 2.427 1.00 62.54 H new ATOM 0 HA SER A 9 1.573 -20.472 0.357 1.00 14.53 H new ATOM 0 HB2 SER A 9 -0.397 -18.749 1.220 1.00 51.32 H new ATOM 0 HB3 SER A 9 0.260 -17.846 -0.130 1.00 51.32 H new ATOM 0 HG SER A 9 -1.422 -19.303 -0.784 1.00 2.54 H new ATOM 159 N LEU A 10 3.451 -17.909 0.369 1.00 63.34 N ATOM 160 CA LEU A 10 4.497 -17.180 -0.341 1.00 14.45 C ATOM 161 C LEU A 10 5.786 -17.992 -0.395 1.00 44.03 C ATOM 162 O LEU A 10 6.534 -17.923 -1.371 1.00 52.05 O ATOM 163 CB LEU A 10 4.757 -15.834 0.338 1.00 14.42 C ATOM 164 CG LEU A 10 3.917 -14.657 -0.161 1.00 31.14 C ATOM 165 CD1 LEU A 10 4.235 -13.400 0.634 1.00 54.22 C ATOM 166 CD2 LEU A 10 4.153 -14.425 -1.646 1.00 73.40 C ATOM 0 H LEU A 10 3.437 -17.751 1.377 1.00 63.34 H new ATOM 0 HA LEU A 10 4.156 -17.006 -1.362 1.00 14.45 H new ATOM 0 HB2 LEU A 10 4.584 -15.950 1.408 1.00 14.42 H new ATOM 0 HB3 LEU A 10 5.810 -15.583 0.211 1.00 14.42 H new ATOM 0 HG LEU A 10 2.864 -14.899 -0.014 1.00 31.14 H new ATOM 0 HD11 LEU A 10 3.628 -12.573 0.265 1.00 54.22 H new ATOM 0 HD12 LEU A 10 4.014 -13.570 1.688 1.00 54.22 H new ATOM 0 HD13 LEU A 10 5.291 -13.155 0.520 1.00 54.22 H new ATOM 0 HD21 LEU A 10 3.547 -13.584 -1.984 1.00 73.40 H new ATOM 0 HD22 LEU A 10 5.207 -14.205 -1.817 1.00 73.40 H new ATOM 0 HD23 LEU A 10 3.874 -15.320 -2.203 1.00 73.40 H new ATOM 178 N ILE A 11 6.040 -18.762 0.657 1.00 33.04 N ATOM 179 CA ILE A 11 7.237 -19.590 0.727 1.00 22.12 C ATOM 180 C ILE A 11 7.382 -20.454 -0.521 1.00 40.53 C ATOM 181 O ILE A 11 6.513 -21.270 -0.829 1.00 43.31 O ATOM 182 CB ILE A 11 7.220 -20.501 1.969 1.00 60.33 C ATOM 183 CG1 ILE A 11 5.844 -21.151 2.133 1.00 44.33 C ATOM 184 CG2 ILE A 11 7.589 -19.708 3.213 1.00 11.23 C ATOM 185 CD1 ILE A 11 5.834 -22.306 3.109 1.00 61.21 C ATOM 0 H ILE A 11 5.432 -18.830 1.473 1.00 33.04 H new ATOM 0 HA ILE A 11 8.086 -18.911 0.796 1.00 22.12 H new ATOM 0 HB ILE A 11 7.960 -21.290 1.833 1.00 60.33 H new ATOM 0 HG12 ILE A 11 5.132 -20.396 2.468 1.00 44.33 H new ATOM 0 HG13 ILE A 11 5.500 -21.504 1.161 1.00 44.33 H new ATOM 0 HG21 ILE A 11 7.572 -20.366 4.082 1.00 11.23 H new ATOM 0 HG22 ILE A 11 8.588 -19.289 3.094 1.00 11.23 H new ATOM 0 HG23 ILE A 11 6.871 -18.900 3.356 1.00 11.23 H new ATOM 0 HD11 ILE A 11 4.827 -22.718 3.175 1.00 61.21 H new ATOM 0 HD12 ILE A 11 6.521 -23.079 2.765 1.00 61.21 H new ATOM 0 HD13 ILE A 11 6.147 -21.954 4.092 1.00 61.21 H new ATOM 197 N VAL A 12 8.487 -20.269 -1.237 1.00 20.12 N ATOM 198 CA VAL A 12 8.748 -21.033 -2.451 1.00 21.21 C ATOM 199 C VAL A 12 8.838 -22.525 -2.152 1.00 63.53 C ATOM 200 O VAL A 12 8.579 -23.361 -3.019 1.00 41.23 O ATOM 201 CB VAL A 12 10.052 -20.577 -3.131 1.00 64.24 C ATOM 202 CG1 VAL A 12 10.076 -19.064 -3.281 1.00 1.31 C ATOM 203 CG2 VAL A 12 11.261 -21.063 -2.345 1.00 51.53 C ATOM 0 H VAL A 12 9.216 -19.597 -0.997 1.00 20.12 H new ATOM 0 HA VAL A 12 7.912 -20.851 -3.126 1.00 21.21 H new ATOM 0 HB VAL A 12 10.094 -21.017 -4.127 1.00 64.24 H new ATOM 0 HG11 VAL A 12 11.005 -18.761 -3.764 1.00 1.31 H new ATOM 0 HG12 VAL A 12 9.230 -18.745 -3.890 1.00 1.31 H new ATOM 0 HG13 VAL A 12 10.010 -18.600 -2.297 1.00 1.31 H new ATOM 0 HG21 VAL A 12 12.174 -20.732 -2.840 1.00 51.53 H new ATOM 0 HG22 VAL A 12 11.227 -20.654 -1.335 1.00 51.53 H new ATOM 0 HG23 VAL A 12 11.249 -22.152 -2.296 1.00 51.53 H new ATOM 213 N THR A 13 9.207 -22.855 -0.918 1.00 64.44 N ATOM 214 CA THR A 13 9.333 -24.247 -0.505 1.00 33.15 C ATOM 215 C THR A 13 8.002 -24.980 -0.629 1.00 13.31 C ATOM 216 O THR A 13 7.961 -26.208 -0.679 1.00 61.24 O ATOM 217 CB THR A 13 9.833 -24.358 0.948 1.00 22.40 C ATOM 218 OG1 THR A 13 10.038 -25.733 1.292 1.00 72.33 O ATOM 219 CG2 THR A 13 8.838 -23.732 1.913 1.00 52.12 C ATOM 0 H THR A 13 9.424 -22.177 -0.187 1.00 64.44 H new ATOM 0 HA THR A 13 10.063 -24.709 -1.170 1.00 33.15 H new ATOM 0 HB THR A 13 10.778 -23.819 1.025 1.00 22.40 H new ATOM 0 HG1 THR A 13 9.492 -26.301 0.709 1.00 72.33 H new ATOM 0 HG21 THR A 13 9.213 -23.823 2.932 1.00 52.12 H new ATOM 0 HG22 THR A 13 8.707 -22.678 1.667 1.00 52.12 H new ATOM 0 HG23 THR A 13 7.880 -24.246 1.832 1.00 52.12 H new ATOM 227 N ASN A 14 6.914 -24.217 -0.678 1.00 62.25 N ATOM 228 CA ASN A 14 5.580 -24.795 -0.797 1.00 44.03 C ATOM 229 C ASN A 14 5.085 -24.728 -2.239 1.00 22.41 C ATOM 230 O ASN A 14 3.909 -24.966 -2.513 1.00 71.44 O ATOM 231 CB ASN A 14 4.602 -24.065 0.124 1.00 14.52 C ATOM 232 CG ASN A 14 3.780 -25.020 0.968 1.00 12.42 C ATOM 233 OD1 ASN A 14 4.314 -25.951 1.570 1.00 4.12 O ATOM 234 ND2 ASN A 14 2.472 -24.792 1.015 1.00 23.04 N ATOM 0 H ASN A 14 6.930 -23.198 -0.637 1.00 62.25 H new ATOM 0 HA ASN A 14 5.636 -25.842 -0.499 1.00 44.03 H new ATOM 0 HB2 ASN A 14 5.156 -23.392 0.778 1.00 14.52 H new ATOM 0 HB3 ASN A 14 3.934 -23.448 -0.476 1.00 14.52 H new ATOM 0 HD21 ASN A 14 1.868 -25.401 1.566 1.00 23.04 H new ATOM 0 HD22 ASN A 14 2.072 -24.008 0.500 1.00 23.04 H new ATOM 241 N ARG A 15 5.991 -24.404 -3.156 1.00 1.25 N ATOM 242 CA ARG A 15 5.647 -24.305 -4.569 1.00 34.33 C ATOM 243 C ARG A 15 4.920 -25.562 -5.040 1.00 50.40 C ATOM 244 O ARG A 15 4.096 -25.508 -5.954 1.00 2.03 O ATOM 245 CB ARG A 15 6.906 -24.086 -5.409 1.00 24.54 C ATOM 246 CG ARG A 15 7.320 -22.628 -5.518 1.00 0.05 C ATOM 247 CD ARG A 15 8.781 -22.492 -5.917 1.00 0.43 C ATOM 248 NE ARG A 15 9.072 -21.179 -6.488 1.00 22.33 N ATOM 249 CZ ARG A 15 8.673 -20.799 -7.696 1.00 40.31 C ATOM 250 NH1 ARG A 15 7.969 -21.626 -8.457 1.00 3.14 N ATOM 251 NH2 ARG A 15 8.977 -19.588 -8.146 1.00 3.01 N ATOM 0 H ARG A 15 6.969 -24.206 -2.945 1.00 1.25 H new ATOM 0 HA ARG A 15 4.982 -23.451 -4.696 1.00 34.33 H new ATOM 0 HB2 ARG A 15 7.727 -24.656 -4.974 1.00 24.54 H new ATOM 0 HB3 ARG A 15 6.738 -24.483 -6.410 1.00 24.54 H new ATOM 0 HG2 ARG A 15 6.693 -22.125 -6.253 1.00 0.05 H new ATOM 0 HG3 ARG A 15 7.155 -22.129 -4.563 1.00 0.05 H new ATOM 0 HD2 ARG A 15 9.412 -22.656 -5.044 1.00 0.43 H new ATOM 0 HD3 ARG A 15 9.033 -23.266 -6.642 1.00 0.43 H new ATOM 0 HE ARG A 15 9.611 -20.518 -5.928 1.00 22.33 H new ATOM 0 HH11 ARG A 15 7.732 -22.557 -8.115 1.00 3.14 H new ATOM 0 HH12 ARG A 15 7.664 -21.331 -9.385 1.00 3.14 H new ATOM 0 HH21 ARG A 15 9.518 -18.948 -7.564 1.00 3.01 H new ATOM 0 HH22 ARG A 15 8.670 -19.297 -9.074 1.00 3.01 H new ATOM 265 N ILE A 16 5.231 -26.690 -4.411 1.00 43.12 N ATOM 266 CA ILE A 16 4.608 -27.959 -4.766 1.00 13.31 C ATOM 267 C ILE A 16 3.152 -28.001 -4.315 1.00 55.53 C ATOM 268 O ILE A 16 2.296 -28.562 -4.999 1.00 35.53 O ATOM 269 CB ILE A 16 5.360 -29.149 -4.143 1.00 64.44 C ATOM 270 CG1 ILE A 16 4.699 -30.468 -4.551 1.00 5.13 C ATOM 271 CG2 ILE A 16 5.401 -29.017 -2.628 1.00 51.24 C ATOM 272 CD1 ILE A 16 4.721 -30.719 -6.042 1.00 70.12 C ATOM 0 H ILE A 16 5.911 -26.751 -3.653 1.00 43.12 H new ATOM 0 HA ILE A 16 4.653 -28.040 -5.852 1.00 13.31 H new ATOM 0 HB ILE A 16 6.384 -29.147 -4.515 1.00 64.44 H new ATOM 0 HG12 ILE A 16 5.205 -31.290 -4.045 1.00 5.13 H new ATOM 0 HG13 ILE A 16 3.665 -30.469 -4.206 1.00 5.13 H new ATOM 0 HG21 ILE A 16 5.936 -29.866 -2.203 1.00 51.24 H new ATOM 0 HG22 ILE A 16 5.912 -28.093 -2.357 1.00 51.24 H new ATOM 0 HG23 ILE A 16 4.384 -28.997 -2.237 1.00 51.24 H new ATOM 0 HD11 ILE A 16 4.236 -31.671 -6.258 1.00 70.12 H new ATOM 0 HD12 ILE A 16 4.190 -29.917 -6.554 1.00 70.12 H new ATOM 0 HD13 ILE A 16 5.753 -30.751 -6.390 1.00 70.12 H new ATOM 284 N ARG A 17 2.877 -27.401 -3.162 1.00 4.45 N ATOM 285 CA ARG A 17 1.524 -27.369 -2.620 1.00 4.45 C ATOM 286 C ARG A 17 0.689 -26.292 -3.306 1.00 50.01 C ATOM 287 O ARG A 17 -0.312 -26.590 -3.958 1.00 42.34 O ATOM 288 CB ARG A 17 1.562 -27.115 -1.111 1.00 61.43 C ATOM 289 CG ARG A 17 2.638 -27.909 -0.387 1.00 54.43 C ATOM 290 CD ARG A 17 2.534 -29.395 -0.692 1.00 51.21 C ATOM 291 NE ARG A 17 3.529 -30.174 0.039 1.00 22.31 N ATOM 292 CZ ARG A 17 3.428 -30.469 1.331 1.00 42.35 C ATOM 293 NH1 ARG A 17 2.382 -30.051 2.029 1.00 13.02 N ATOM 294 NH2 ARG A 17 4.375 -31.183 1.925 1.00 2.25 N ATOM 0 H ARG A 17 3.574 -26.930 -2.585 1.00 4.45 H new ATOM 0 HA ARG A 17 1.062 -28.338 -2.807 1.00 4.45 H new ATOM 0 HB2 ARG A 17 1.726 -26.052 -0.934 1.00 61.43 H new ATOM 0 HB3 ARG A 17 0.590 -27.363 -0.685 1.00 61.43 H new ATOM 0 HG2 ARG A 17 3.622 -27.544 -0.682 1.00 54.43 H new ATOM 0 HG3 ARG A 17 2.548 -27.750 0.688 1.00 54.43 H new ATOM 0 HD2 ARG A 17 1.536 -29.749 -0.435 1.00 51.21 H new ATOM 0 HD3 ARG A 17 2.663 -29.555 -1.762 1.00 51.21 H new ATOM 0 HE ARG A 17 4.347 -30.510 -0.470 1.00 22.31 H new ATOM 0 HH11 ARG A 17 1.652 -29.502 1.575 1.00 13.02 H new ATOM 0 HH12 ARG A 17 2.307 -30.279 3.020 1.00 13.02 H new ATOM 0 HH21 ARG A 17 5.181 -31.506 1.390 1.00 2.25 H new ATOM 0 HH22 ARG A 17 4.297 -31.409 2.917 1.00 2.25 H new ATOM 308 N VAL A 18 1.107 -25.039 -3.154 1.00 72.31 N ATOM 309 CA VAL A 18 0.398 -23.918 -3.760 1.00 21.15 C ATOM 310 C VAL A 18 1.368 -22.956 -4.437 1.00 33.05 C ATOM 311 O VAL A 18 2.493 -22.764 -3.975 1.00 40.23 O ATOM 312 CB VAL A 18 -0.428 -23.146 -2.714 1.00 11.11 C ATOM 313 CG1 VAL A 18 0.472 -22.612 -1.610 1.00 42.44 C ATOM 314 CG2 VAL A 18 -1.202 -22.016 -3.376 1.00 11.12 C ATOM 0 H VAL A 18 1.933 -24.775 -2.617 1.00 72.31 H new ATOM 0 HA VAL A 18 -0.276 -24.336 -4.508 1.00 21.15 H new ATOM 0 HB VAL A 18 -1.145 -23.832 -2.264 1.00 11.11 H new ATOM 0 HG11 VAL A 18 -0.130 -22.070 -0.881 1.00 42.44 H new ATOM 0 HG12 VAL A 18 0.977 -23.443 -1.118 1.00 42.44 H new ATOM 0 HG13 VAL A 18 1.215 -21.940 -2.039 1.00 42.44 H new ATOM 0 HG21 VAL A 18 -1.780 -21.481 -2.623 1.00 11.12 H new ATOM 0 HG22 VAL A 18 -0.504 -21.328 -3.854 1.00 11.12 H new ATOM 0 HG23 VAL A 18 -1.877 -22.428 -4.126 1.00 11.12 H new ATOM 324 N LYS A 19 0.924 -22.352 -5.534 1.00 21.41 N ATOM 325 CA LYS A 19 1.751 -21.408 -6.275 1.00 51.34 C ATOM 326 C LYS A 19 1.349 -19.970 -5.962 1.00 75.14 C ATOM 327 O LYS A 19 0.218 -19.707 -5.551 1.00 12.42 O ATOM 328 CB LYS A 19 1.633 -21.666 -7.779 1.00 55.33 C ATOM 329 CG LYS A 19 1.734 -23.134 -8.154 1.00 45.04 C ATOM 330 CD LYS A 19 0.363 -23.780 -8.257 1.00 51.21 C ATOM 331 CE LYS A 19 0.362 -25.183 -7.671 1.00 23.22 C ATOM 332 NZ LYS A 19 -0.873 -25.933 -8.028 1.00 75.34 N ATOM 0 H LYS A 19 -0.005 -22.500 -5.929 1.00 21.41 H new ATOM 0 HA LYS A 19 2.787 -21.552 -5.968 1.00 51.34 H new ATOM 0 HB2 LYS A 19 0.679 -21.274 -8.133 1.00 55.33 H new ATOM 0 HB3 LYS A 19 2.417 -21.113 -8.297 1.00 55.33 H new ATOM 0 HG2 LYS A 19 2.256 -23.232 -9.106 1.00 45.04 H new ATOM 0 HG3 LYS A 19 2.330 -23.660 -7.409 1.00 45.04 H new ATOM 0 HD2 LYS A 19 -0.370 -23.166 -7.734 1.00 51.21 H new ATOM 0 HD3 LYS A 19 0.057 -23.821 -9.302 1.00 51.21 H new ATOM 0 HE2 LYS A 19 1.234 -25.728 -8.032 1.00 23.22 H new ATOM 0 HE3 LYS A 19 0.450 -25.123 -6.586 1.00 23.22 H new ATOM 0 HZ1 LYS A 19 -0.835 -26.884 -7.609 1.00 75.34 H new ATOM 0 HZ2 LYS A 19 -1.705 -25.427 -7.662 1.00 75.34 H new ATOM 0 HZ3 LYS A 19 -0.944 -26.013 -9.063 1.00 75.34 H new ATOM 346 N LEU A 20 2.280 -19.043 -6.161 1.00 35.51 N ATOM 347 CA LEU A 20 2.021 -17.631 -5.901 1.00 62.42 C ATOM 348 C LEU A 20 0.991 -17.077 -6.880 1.00 62.23 C ATOM 349 O LEU A 20 0.844 -17.559 -8.004 1.00 21.14 O ATOM 350 CB LEU A 20 3.319 -16.829 -6.000 1.00 45.52 C ATOM 351 CG LEU A 20 4.548 -17.454 -5.339 1.00 32.42 C ATOM 352 CD1 LEU A 20 5.774 -16.583 -5.558 1.00 5.41 C ATOM 353 CD2 LEU A 20 4.302 -17.669 -3.852 1.00 41.24 C ATOM 0 H LEU A 20 3.220 -19.244 -6.501 1.00 35.51 H new ATOM 0 HA LEU A 20 1.620 -17.540 -4.891 1.00 62.42 H new ATOM 0 HB2 LEU A 20 3.542 -16.666 -7.054 1.00 45.52 H new ATOM 0 HB3 LEU A 20 3.151 -15.848 -5.555 1.00 45.52 H new ATOM 0 HG LEU A 20 4.731 -18.424 -5.801 1.00 32.42 H new ATOM 0 HD11 LEU A 20 6.638 -17.044 -5.080 1.00 5.41 H new ATOM 0 HD12 LEU A 20 5.962 -16.481 -6.627 1.00 5.41 H new ATOM 0 HD13 LEU A 20 5.603 -15.598 -5.124 1.00 5.41 H new ATOM 0 HD21 LEU A 20 5.187 -18.115 -3.398 1.00 41.24 H new ATOM 0 HD22 LEU A 20 4.093 -16.711 -3.376 1.00 41.24 H new ATOM 0 HD23 LEU A 20 3.450 -18.335 -3.717 1.00 41.24 H new ATOM 365 N PRO A 21 0.262 -16.038 -6.447 1.00 74.40 N ATOM 366 CA PRO A 21 -0.765 -15.394 -7.271 1.00 14.11 C ATOM 367 C PRO A 21 -0.168 -14.614 -8.437 1.00 41.01 C ATOM 368 O PRO A 21 1.026 -14.716 -8.719 1.00 62.33 O ATOM 369 CB PRO A 21 -1.461 -14.444 -6.292 1.00 45.15 C ATOM 370 CG PRO A 21 -0.436 -14.159 -5.249 1.00 51.42 C ATOM 371 CD PRO A 21 0.384 -15.413 -5.120 1.00 15.43 C ATOM 0 HA PRO A 21 -1.435 -16.121 -7.730 1.00 14.11 H new ATOM 0 HB2 PRO A 21 -1.785 -13.530 -6.790 1.00 45.15 H new ATOM 0 HB3 PRO A 21 -2.350 -14.903 -5.859 1.00 45.15 H new ATOM 0 HG2 PRO A 21 0.188 -13.313 -5.536 1.00 51.42 H new ATOM 0 HG3 PRO A 21 -0.906 -13.901 -4.300 1.00 51.42 H new ATOM 0 HD2 PRO A 21 1.422 -15.191 -4.874 1.00 15.43 H new ATOM 0 HD3 PRO A 21 0.003 -16.063 -4.333 1.00 15.43 H new ATOM 379 N LYS A 22 -1.005 -13.834 -9.112 1.00 13.21 N ATOM 380 CA LYS A 22 -0.560 -13.034 -10.247 1.00 73.21 C ATOM 381 C LYS A 22 -0.209 -11.616 -9.809 1.00 62.02 C ATOM 382 O LYS A 22 0.711 -11.000 -10.348 1.00 54.32 O ATOM 383 CB LYS A 22 -1.646 -12.992 -11.325 1.00 33.24 C ATOM 384 CG LYS A 22 -3.014 -12.597 -10.795 1.00 21.32 C ATOM 385 CD LYS A 22 -3.679 -11.562 -11.686 1.00 35.02 C ATOM 386 CE LYS A 22 -2.923 -10.243 -11.668 1.00 51.42 C ATOM 387 NZ LYS A 22 -2.661 -9.735 -13.043 1.00 55.25 N ATOM 0 H LYS A 22 -1.997 -13.739 -8.893 1.00 13.21 H new ATOM 0 HA LYS A 22 0.335 -13.500 -10.659 1.00 73.21 H new ATOM 0 HB2 LYS A 22 -1.349 -12.287 -12.101 1.00 33.24 H new ATOM 0 HB3 LYS A 22 -1.717 -13.973 -11.796 1.00 33.24 H new ATOM 0 HG2 LYS A 22 -3.648 -13.481 -10.727 1.00 21.32 H new ATOM 0 HG3 LYS A 22 -2.913 -12.199 -9.785 1.00 21.32 H new ATOM 0 HD2 LYS A 22 -3.731 -11.939 -12.707 1.00 35.02 H new ATOM 0 HD3 LYS A 22 -4.704 -11.399 -11.354 1.00 35.02 H new ATOM 0 HE2 LYS A 22 -3.497 -9.503 -11.111 1.00 51.42 H new ATOM 0 HE3 LYS A 22 -1.977 -10.374 -11.143 1.00 51.42 H new ATOM 0 HZ1 LYS A 22 -2.144 -8.834 -12.988 1.00 55.25 H new ATOM 0 HZ2 LYS A 22 -2.091 -10.430 -13.567 1.00 55.25 H new ATOM 0 HZ3 LYS A 22 -3.564 -9.586 -13.536 1.00 55.25 H new ATOM 401 N ASP A 23 -0.945 -11.105 -8.828 1.00 62.15 N ATOM 402 CA ASP A 23 -0.709 -9.760 -8.316 1.00 62.23 C ATOM 403 C ASP A 23 0.371 -9.771 -7.239 1.00 44.32 C ATOM 404 O ASP A 23 0.183 -9.228 -6.151 1.00 11.53 O ATOM 405 CB ASP A 23 -2.003 -9.172 -7.752 1.00 51.24 C ATOM 406 CG ASP A 23 -2.892 -8.587 -8.832 1.00 70.13 C ATOM 407 OD1 ASP A 23 -2.379 -7.814 -9.668 1.00 72.22 O ATOM 408 OD2 ASP A 23 -4.101 -8.902 -8.841 1.00 42.31 O ATOM 0 H ASP A 23 -1.710 -11.602 -8.371 1.00 62.15 H new ATOM 0 HA ASP A 23 -0.366 -9.138 -9.143 1.00 62.23 H new ATOM 0 HB2 ASP A 23 -2.549 -9.949 -7.217 1.00 51.24 H new ATOM 0 HB3 ASP A 23 -1.760 -8.396 -7.026 1.00 51.24 H new ATOM 413 N VAL A 24 1.504 -10.394 -7.550 1.00 51.41 N ATOM 414 CA VAL A 24 2.615 -10.475 -6.609 1.00 73.11 C ATOM 415 C VAL A 24 3.954 -10.453 -7.337 1.00 1.21 C ATOM 416 O VAL A 24 4.127 -11.115 -8.360 1.00 42.34 O ATOM 417 CB VAL A 24 2.530 -11.751 -5.751 1.00 25.24 C ATOM 418 CG1 VAL A 24 2.810 -12.984 -6.597 1.00 54.21 C ATOM 419 CG2 VAL A 24 3.497 -11.669 -4.579 1.00 32.03 C ATOM 0 H VAL A 24 1.676 -10.850 -8.446 1.00 51.41 H new ATOM 0 HA VAL A 24 2.544 -9.603 -5.959 1.00 73.11 H new ATOM 0 HB VAL A 24 1.518 -11.834 -5.354 1.00 25.24 H new ATOM 0 HG11 VAL A 24 2.745 -13.876 -5.973 1.00 54.21 H new ATOM 0 HG12 VAL A 24 2.076 -13.049 -7.400 1.00 54.21 H new ATOM 0 HG13 VAL A 24 3.810 -12.912 -7.025 1.00 54.21 H new ATOM 0 HG21 VAL A 24 3.424 -12.579 -3.983 1.00 32.03 H new ATOM 0 HG22 VAL A 24 4.515 -11.561 -4.954 1.00 32.03 H new ATOM 0 HG23 VAL A 24 3.246 -10.808 -3.959 1.00 32.03 H new ATOM 429 N ASP A 25 4.899 -9.688 -6.802 1.00 1.23 N ATOM 430 CA ASP A 25 6.225 -9.580 -7.399 1.00 60.02 C ATOM 431 C ASP A 25 7.169 -10.628 -6.819 1.00 24.12 C ATOM 432 O ASP A 25 6.894 -11.214 -5.771 1.00 42.34 O ATOM 433 CB ASP A 25 6.797 -8.180 -7.174 1.00 0.42 C ATOM 434 CG ASP A 25 6.851 -7.806 -5.706 1.00 3.34 C ATOM 435 OD1 ASP A 25 7.404 -8.596 -4.912 1.00 34.23 O ATOM 436 OD2 ASP A 25 6.342 -6.722 -5.350 1.00 63.35 O ATOM 0 H ASP A 25 4.771 -9.133 -5.956 1.00 1.23 H new ATOM 0 HA ASP A 25 6.129 -9.757 -8.470 1.00 60.02 H new ATOM 0 HB2 ASP A 25 7.801 -8.129 -7.596 1.00 0.42 H new ATOM 0 HB3 ASP A 25 6.188 -7.452 -7.709 1.00 0.42 H new ATOM 441 N ARG A 26 8.282 -10.860 -7.507 1.00 24.11 N ATOM 442 CA ARG A 26 9.266 -11.839 -7.061 1.00 22.30 C ATOM 443 C ARG A 26 10.575 -11.157 -6.674 1.00 22.41 C ATOM 444 O ARG A 26 11.331 -11.665 -5.845 1.00 5.11 O ATOM 445 CB ARG A 26 9.523 -12.873 -8.159 1.00 54.13 C ATOM 446 CG ARG A 26 8.255 -13.375 -8.831 1.00 51.21 C ATOM 447 CD ARG A 26 7.338 -14.074 -7.839 1.00 42.25 C ATOM 448 NE ARG A 26 6.370 -14.941 -8.506 1.00 41.40 N ATOM 449 CZ ARG A 26 6.693 -16.086 -9.096 1.00 22.22 C ATOM 450 NH1 ARG A 26 7.953 -16.501 -9.101 1.00 54.32 N ATOM 451 NH2 ARG A 26 5.755 -16.820 -9.681 1.00 45.15 N ATOM 0 H ARG A 26 8.525 -10.383 -8.375 1.00 24.11 H new ATOM 0 HA ARG A 26 8.865 -12.344 -6.182 1.00 22.30 H new ATOM 0 HB2 ARG A 26 10.175 -12.434 -8.914 1.00 54.13 H new ATOM 0 HB3 ARG A 26 10.057 -13.721 -7.730 1.00 54.13 H new ATOM 0 HG2 ARG A 26 7.728 -12.537 -9.288 1.00 51.21 H new ATOM 0 HG3 ARG A 26 8.516 -14.064 -9.635 1.00 51.21 H new ATOM 0 HD2 ARG A 26 7.937 -14.665 -7.146 1.00 42.25 H new ATOM 0 HD3 ARG A 26 6.809 -13.328 -7.247 1.00 42.25 H new ATOM 0 HE ARG A 26 5.392 -14.651 -8.519 1.00 41.40 H new ATOM 0 HH11 ARG A 26 8.676 -15.940 -8.651 1.00 54.32 H new ATOM 0 HH12 ARG A 26 8.198 -17.381 -9.555 1.00 54.32 H new ATOM 0 HH21 ARG A 26 4.785 -16.505 -9.678 1.00 45.15 H new ATOM 0 HH22 ARG A 26 6.004 -17.699 -10.134 1.00 45.15 H new ATOM 465 N THR A 27 10.837 -10.004 -7.280 1.00 44.42 N ATOM 466 CA THR A 27 12.055 -9.253 -7.001 1.00 11.22 C ATOM 467 C THR A 27 12.035 -8.678 -5.589 1.00 54.33 C ATOM 468 O THR A 27 13.014 -8.785 -4.851 1.00 31.00 O ATOM 469 CB THR A 27 12.250 -8.104 -8.008 1.00 41.02 C ATOM 470 OG1 THR A 27 10.985 -7.516 -8.332 1.00 61.32 O ATOM 471 CG2 THR A 27 12.922 -8.606 -9.278 1.00 10.45 C ATOM 0 H THR A 27 10.222 -9.569 -7.968 1.00 44.42 H new ATOM 0 HA THR A 27 12.886 -9.953 -7.094 1.00 11.22 H new ATOM 0 HB THR A 27 12.892 -7.353 -7.548 1.00 41.02 H new ATOM 0 HG1 THR A 27 11.118 -6.785 -8.971 1.00 61.32 H new ATOM 0 HG21 THR A 27 13.049 -7.777 -9.974 1.00 10.45 H new ATOM 0 HG22 THR A 27 13.897 -9.026 -9.032 1.00 10.45 H new ATOM 0 HG23 THR A 27 12.301 -9.375 -9.739 1.00 10.45 H new ATOM 479 N ARG A 28 10.913 -8.068 -5.220 1.00 1.21 N ATOM 480 CA ARG A 28 10.766 -7.475 -3.896 1.00 20.20 C ATOM 481 C ARG A 28 9.539 -8.036 -3.182 1.00 64.14 C ATOM 482 O ARG A 28 8.558 -7.326 -2.961 1.00 53.10 O ATOM 483 CB ARG A 28 10.655 -5.953 -4.005 1.00 35.34 C ATOM 484 CG ARG A 28 11.987 -5.234 -3.871 1.00 13.13 C ATOM 485 CD ARG A 28 12.871 -5.469 -5.085 1.00 63.01 C ATOM 486 NE ARG A 28 12.186 -5.143 -6.333 1.00 32.32 N ATOM 487 CZ ARG A 28 12.068 -3.908 -6.806 1.00 13.45 C ATOM 488 NH1 ARG A 28 12.587 -2.886 -6.138 1.00 60.51 N ATOM 489 NH2 ARG A 28 11.429 -3.691 -7.949 1.00 24.44 N ATOM 0 H ARG A 28 10.093 -7.972 -5.819 1.00 1.21 H new ATOM 0 HA ARG A 28 11.651 -7.727 -3.312 1.00 20.20 H new ATOM 0 HB2 ARG A 28 10.209 -5.698 -4.966 1.00 35.34 H new ATOM 0 HB3 ARG A 28 9.977 -5.590 -3.233 1.00 35.34 H new ATOM 0 HG2 ARG A 28 11.814 -4.165 -3.747 1.00 13.13 H new ATOM 0 HG3 ARG A 28 12.500 -5.580 -2.974 1.00 13.13 H new ATOM 0 HD2 ARG A 28 13.774 -4.864 -4.998 1.00 63.01 H new ATOM 0 HD3 ARG A 28 13.187 -6.512 -5.107 1.00 63.01 H new ATOM 0 HE ARG A 28 11.776 -5.906 -6.871 1.00 32.32 H new ATOM 0 HH11 ARG A 28 13.078 -3.048 -5.259 1.00 60.51 H new ATOM 0 HH12 ARG A 28 12.495 -1.938 -6.504 1.00 60.51 H new ATOM 0 HH21 ARG A 28 11.028 -4.474 -8.465 1.00 24.44 H new ATOM 0 HH22 ARG A 28 11.339 -2.742 -8.311 1.00 24.44 H new ATOM 503 N LEU A 29 9.602 -9.314 -2.825 1.00 63.13 N ATOM 504 CA LEU A 29 8.497 -9.971 -2.137 1.00 33.40 C ATOM 505 C LEU A 29 8.451 -9.565 -0.668 1.00 3.24 C ATOM 506 O LEU A 29 7.467 -9.818 0.026 1.00 71.22 O ATOM 507 CB LEU A 29 8.629 -11.491 -2.254 1.00 14.14 C ATOM 508 CG LEU A 29 7.367 -12.299 -1.950 1.00 73.54 C ATOM 509 CD1 LEU A 29 6.295 -12.027 -2.994 1.00 72.54 C ATOM 510 CD2 LEU A 29 7.688 -13.786 -1.888 1.00 12.43 C ATOM 0 H LEU A 29 10.407 -9.916 -3.001 1.00 63.13 H new ATOM 0 HA LEU A 29 7.568 -9.655 -2.611 1.00 33.40 H new ATOM 0 HB2 LEU A 29 8.955 -11.731 -3.266 1.00 14.14 H new ATOM 0 HB3 LEU A 29 9.419 -11.820 -1.579 1.00 14.14 H new ATOM 0 HG LEU A 29 6.985 -11.989 -0.977 1.00 73.54 H new ATOM 0 HD11 LEU A 29 5.404 -12.611 -2.761 1.00 72.54 H new ATOM 0 HD12 LEU A 29 6.045 -10.966 -2.991 1.00 72.54 H new ATOM 0 HD13 LEU A 29 6.667 -12.309 -3.979 1.00 72.54 H new ATOM 0 HD21 LEU A 29 6.778 -14.346 -1.671 1.00 12.43 H new ATOM 0 HD22 LEU A 29 8.094 -14.111 -2.846 1.00 12.43 H new ATOM 0 HD23 LEU A 29 8.422 -13.967 -1.103 1.00 12.43 H new ATOM 522 N GLU A 30 9.523 -8.931 -0.201 1.00 33.12 N ATOM 523 CA GLU A 30 9.603 -8.488 1.186 1.00 24.22 C ATOM 524 C GLU A 30 8.473 -7.516 1.514 1.00 64.43 C ATOM 525 O GLU A 30 7.883 -7.575 2.592 1.00 20.34 O ATOM 526 CB GLU A 30 10.956 -7.824 1.455 1.00 74.40 C ATOM 527 CG GLU A 30 11.098 -6.453 0.817 1.00 13.42 C ATOM 528 CD GLU A 30 12.546 -6.037 0.643 1.00 34.33 C ATOM 529 OE1 GLU A 30 13.402 -6.537 1.402 1.00 0.34 O ATOM 530 OE2 GLU A 30 12.822 -5.213 -0.253 1.00 10.50 O ATOM 0 H GLU A 30 10.346 -8.713 -0.762 1.00 33.12 H new ATOM 0 HA GLU A 30 9.502 -9.364 1.826 1.00 24.22 H new ATOM 0 HB2 GLU A 30 11.098 -7.731 2.532 1.00 74.40 H new ATOM 0 HB3 GLU A 30 11.750 -8.472 1.084 1.00 74.40 H new ATOM 0 HG2 GLU A 30 10.606 -6.456 -0.155 1.00 13.42 H new ATOM 0 HG3 GLU A 30 10.583 -5.715 1.432 1.00 13.42 H new ATOM 537 N ARG A 31 8.179 -6.623 0.575 1.00 13.11 N ATOM 538 CA ARG A 31 7.121 -5.637 0.764 1.00 63.12 C ATOM 539 C ARG A 31 5.750 -6.306 0.771 1.00 53.44 C ATOM 540 O ARG A 31 4.749 -5.690 1.140 1.00 21.03 O ATOM 541 CB ARG A 31 7.179 -4.578 -0.339 1.00 21.40 C ATOM 542 CG ARG A 31 8.124 -3.429 -0.031 1.00 5.12 C ATOM 543 CD ARG A 31 7.402 -2.283 0.660 1.00 32.22 C ATOM 544 NE ARG A 31 7.503 -2.370 2.115 1.00 70.14 N ATOM 545 CZ ARG A 31 8.633 -2.179 2.785 1.00 5.23 C ATOM 546 NH1 ARG A 31 9.753 -1.891 2.136 1.00 51.12 N ATOM 547 NH2 ARG A 31 8.646 -2.275 4.109 1.00 55.23 N ATOM 0 H ARG A 31 8.658 -6.562 -0.324 1.00 13.11 H new ATOM 0 HA ARG A 31 7.276 -5.155 1.729 1.00 63.12 H new ATOM 0 HB2 ARG A 31 7.489 -5.052 -1.270 1.00 21.40 H new ATOM 0 HB3 ARG A 31 6.177 -4.180 -0.502 1.00 21.40 H new ATOM 0 HG2 ARG A 31 8.936 -3.784 0.604 1.00 5.12 H new ATOM 0 HG3 ARG A 31 8.576 -3.071 -0.956 1.00 5.12 H new ATOM 0 HD2 ARG A 31 7.822 -1.335 0.324 1.00 32.22 H new ATOM 0 HD3 ARG A 31 6.352 -2.288 0.369 1.00 32.22 H new ATOM 0 HE ARG A 31 6.659 -2.589 2.645 1.00 70.14 H new ATOM 0 HH11 ARG A 31 9.748 -1.816 1.119 1.00 51.12 H new ATOM 0 HH12 ARG A 31 10.619 -1.745 2.654 1.00 51.12 H new ATOM 0 HH21 ARG A 31 7.787 -2.496 4.613 1.00 55.23 H new ATOM 0 HH22 ARG A 31 9.515 -2.128 4.622 1.00 55.23 H new ATOM 561 N HIS A 32 5.711 -7.569 0.359 1.00 54.11 N ATOM 562 CA HIS A 32 4.462 -8.321 0.318 1.00 73.34 C ATOM 563 C HIS A 32 4.267 -9.122 1.602 1.00 62.14 C ATOM 564 O HIS A 32 3.223 -9.743 1.806 1.00 23.22 O ATOM 565 CB HIS A 32 4.447 -9.259 -0.890 1.00 33.54 C ATOM 566 CG HIS A 32 4.006 -8.596 -2.158 1.00 64.12 C ATOM 567 ND1 HIS A 32 2.684 -8.337 -2.452 1.00 44.33 N ATOM 568 CD2 HIS A 32 4.722 -8.137 -3.212 1.00 33.04 C ATOM 569 CE1 HIS A 32 2.606 -7.748 -3.632 1.00 75.34 C ATOM 570 NE2 HIS A 32 3.828 -7.615 -4.114 1.00 61.12 N ATOM 0 H HIS A 32 6.529 -8.093 0.049 1.00 54.11 H new ATOM 0 HA HIS A 32 3.641 -7.610 0.227 1.00 73.34 H new ATOM 0 HB2 HIS A 32 5.447 -9.670 -1.033 1.00 33.54 H new ATOM 0 HB3 HIS A 32 3.785 -10.099 -0.679 1.00 33.54 H new ATOM 0 HD1 HIS A 32 1.891 -8.564 -1.853 1.00 44.33 H new ATOM 0 HD2 HIS A 32 5.796 -8.175 -3.322 1.00 33.04 H new ATOM 0 HE1 HIS A 32 1.697 -7.429 -4.120 1.00 75.34 H new ATOM 578 N LEU A 33 5.278 -9.104 2.463 1.00 22.01 N ATOM 579 CA LEU A 33 5.219 -9.829 3.728 1.00 71.24 C ATOM 580 C LEU A 33 5.201 -8.864 4.908 1.00 15.15 C ATOM 581 O LEU A 33 6.036 -7.965 5.002 1.00 65.25 O ATOM 582 CB LEU A 33 6.411 -10.779 3.850 1.00 64.54 C ATOM 583 CG LEU A 33 6.138 -12.114 4.544 1.00 73.11 C ATOM 584 CD1 LEU A 33 5.455 -13.082 3.590 1.00 14.22 C ATOM 585 CD2 LEU A 33 7.431 -12.712 5.078 1.00 30.40 C ATOM 0 H LEU A 33 6.149 -8.595 2.309 1.00 22.01 H new ATOM 0 HA LEU A 33 4.297 -10.410 3.743 1.00 71.24 H new ATOM 0 HB2 LEU A 33 6.790 -10.984 2.849 1.00 64.54 H new ATOM 0 HB3 LEU A 33 7.205 -10.266 4.393 1.00 64.54 H new ATOM 0 HG LEU A 33 5.470 -11.934 5.386 1.00 73.11 H new ATOM 0 HD11 LEU A 33 5.269 -14.026 4.101 1.00 14.22 H new ATOM 0 HD12 LEU A 33 4.508 -12.657 3.256 1.00 14.22 H new ATOM 0 HD13 LEU A 33 6.098 -13.257 2.727 1.00 14.22 H new ATOM 0 HD21 LEU A 33 7.217 -13.662 5.569 1.00 30.40 H new ATOM 0 HD22 LEU A 33 8.123 -12.878 4.253 1.00 30.40 H new ATOM 0 HD23 LEU A 33 7.880 -12.026 5.796 1.00 30.40 H new ATOM 597 N SER A 34 4.243 -9.058 5.810 1.00 51.43 N ATOM 598 CA SER A 34 4.115 -8.203 6.984 1.00 35.34 C ATOM 599 C SER A 34 5.451 -8.070 7.708 1.00 43.44 C ATOM 600 O SER A 34 6.376 -8.857 7.507 1.00 63.02 O ATOM 601 CB SER A 34 3.060 -8.767 7.938 1.00 32.15 C ATOM 602 OG SER A 34 3.663 -9.502 8.989 1.00 63.31 O ATOM 0 H SER A 34 3.545 -9.799 5.750 1.00 51.43 H new ATOM 0 HA SER A 34 3.802 -7.214 6.650 1.00 35.34 H new ATOM 0 HB2 SER A 34 2.468 -7.952 8.353 1.00 32.15 H new ATOM 0 HB3 SER A 34 2.374 -9.410 7.387 1.00 32.15 H new ATOM 0 HG SER A 34 2.968 -9.850 9.585 1.00 63.31 H new ATOM 608 N PRO A 35 5.557 -7.048 8.570 1.00 12.02 N ATOM 609 CA PRO A 35 6.775 -6.786 9.342 1.00 44.02 C ATOM 610 C PRO A 35 7.022 -7.843 10.412 1.00 23.53 C ATOM 611 O PRO A 35 8.146 -8.315 10.583 1.00 32.33 O ATOM 612 CB PRO A 35 6.501 -5.426 9.987 1.00 12.54 C ATOM 613 CG PRO A 35 5.016 -5.335 10.063 1.00 53.22 C ATOM 614 CD PRO A 35 4.494 -6.070 8.859 1.00 23.23 C ATOM 0 HA PRO A 35 7.666 -6.804 8.715 1.00 44.02 H new ATOM 0 HB2 PRO A 35 6.953 -5.359 10.977 1.00 12.54 H new ATOM 0 HB3 PRO A 35 6.917 -4.614 9.391 1.00 12.54 H new ATOM 0 HG2 PRO A 35 4.644 -5.782 10.985 1.00 53.22 H new ATOM 0 HG3 PRO A 35 4.688 -4.296 10.058 1.00 53.22 H new ATOM 0 HD2 PRO A 35 3.543 -6.560 9.068 1.00 23.23 H new ATOM 0 HD3 PRO A 35 4.328 -5.397 8.018 1.00 23.23 H new ATOM 622 N GLU A 36 5.965 -8.211 11.130 1.00 61.14 N ATOM 623 CA GLU A 36 6.069 -9.213 12.184 1.00 61.23 C ATOM 624 C GLU A 36 6.451 -10.573 11.606 1.00 4.10 C ATOM 625 O GLU A 36 7.175 -11.344 12.235 1.00 32.32 O ATOM 626 CB GLU A 36 4.746 -9.324 12.945 1.00 5.11 C ATOM 627 CG GLU A 36 4.591 -8.290 14.048 1.00 73.50 C ATOM 628 CD GLU A 36 3.391 -8.560 14.935 1.00 74.02 C ATOM 629 OE1 GLU A 36 3.115 -9.745 15.217 1.00 53.32 O ATOM 630 OE2 GLU A 36 2.727 -7.585 15.347 1.00 64.21 O ATOM 0 H GLU A 36 5.028 -7.830 11.001 1.00 61.14 H new ATOM 0 HA GLU A 36 6.852 -8.898 12.874 1.00 61.23 H new ATOM 0 HB2 GLU A 36 3.921 -9.218 12.240 1.00 5.11 H new ATOM 0 HB3 GLU A 36 4.669 -10.321 13.379 1.00 5.11 H new ATOM 0 HG2 GLU A 36 5.494 -8.277 14.658 1.00 73.50 H new ATOM 0 HG3 GLU A 36 4.493 -7.300 13.602 1.00 73.50 H new ATOM 637 N GLU A 37 5.959 -10.859 10.405 1.00 42.44 N ATOM 638 CA GLU A 37 6.248 -12.125 9.743 1.00 61.41 C ATOM 639 C GLU A 37 7.685 -12.156 9.230 1.00 52.14 C ATOM 640 O GLU A 37 8.370 -13.174 9.329 1.00 10.01 O ATOM 641 CB GLU A 37 5.276 -12.354 8.584 1.00 72.32 C ATOM 642 CG GLU A 37 4.191 -13.372 8.892 1.00 73.45 C ATOM 643 CD GLU A 37 4.751 -14.750 9.188 1.00 74.23 C ATOM 644 OE1 GLU A 37 5.502 -15.280 8.343 1.00 74.33 O ATOM 645 OE2 GLU A 37 4.437 -15.298 10.266 1.00 43.04 O ATOM 0 H GLU A 37 5.358 -10.231 9.871 1.00 42.44 H new ATOM 0 HA GLU A 37 6.125 -12.924 10.474 1.00 61.41 H new ATOM 0 HB2 GLU A 37 4.808 -11.405 8.320 1.00 72.32 H new ATOM 0 HB3 GLU A 37 5.837 -12.686 7.711 1.00 72.32 H new ATOM 0 HG2 GLU A 37 3.609 -13.029 9.747 1.00 73.45 H new ATOM 0 HG3 GLU A 37 3.507 -13.436 8.046 1.00 73.45 H new ATOM 652 N PHE A 38 8.134 -11.033 8.680 1.00 43.34 N ATOM 653 CA PHE A 38 9.489 -10.930 8.149 1.00 74.12 C ATOM 654 C PHE A 38 10.522 -11.144 9.251 1.00 43.33 C ATOM 655 O PHE A 38 11.514 -11.847 9.057 1.00 13.41 O ATOM 656 CB PHE A 38 9.700 -9.564 7.493 1.00 0.34 C ATOM 657 CG PHE A 38 10.492 -9.626 6.219 1.00 63.41 C ATOM 658 CD1 PHE A 38 9.961 -10.222 5.086 1.00 50.50 C ATOM 659 CD2 PHE A 38 11.768 -9.090 6.153 1.00 10.35 C ATOM 660 CE1 PHE A 38 10.688 -10.281 3.912 1.00 22.13 C ATOM 661 CE2 PHE A 38 12.500 -9.146 4.982 1.00 31.03 C ATOM 662 CZ PHE A 38 11.959 -9.742 3.860 1.00 53.31 C ATOM 0 H PHE A 38 7.580 -10.181 8.590 1.00 43.34 H new ATOM 0 HA PHE A 38 9.619 -11.709 7.398 1.00 74.12 H new ATOM 0 HB2 PHE A 38 8.728 -9.116 7.286 1.00 0.34 H new ATOM 0 HB3 PHE A 38 10.211 -8.907 8.197 1.00 0.34 H new ATOM 0 HD1 PHE A 38 8.968 -10.645 5.121 1.00 50.50 H new ATOM 0 HD2 PHE A 38 12.196 -8.623 7.028 1.00 10.35 H new ATOM 0 HE1 PHE A 38 10.263 -10.748 3.036 1.00 22.13 H new ATOM 0 HE2 PHE A 38 13.494 -8.724 4.945 1.00 31.03 H new ATOM 0 HZ PHE A 38 12.528 -9.787 2.943 1.00 53.31 H new ATOM 672 N GLN A 39 10.282 -10.531 10.406 1.00 63.44 N ATOM 673 CA GLN A 39 11.193 -10.653 11.538 1.00 72.30 C ATOM 674 C GLN A 39 11.011 -11.994 12.241 1.00 71.52 C ATOM 675 O GLN A 39 11.918 -12.479 12.916 1.00 61.51 O ATOM 676 CB GLN A 39 10.965 -9.510 12.528 1.00 13.03 C ATOM 677 CG GLN A 39 9.583 -9.521 13.163 1.00 62.05 C ATOM 678 CD GLN A 39 9.492 -10.465 14.345 1.00 75.30 C ATOM 679 OE1 GLN A 39 10.505 -10.840 14.935 1.00 63.32 O ATOM 680 NE2 GLN A 39 8.272 -10.855 14.698 1.00 23.14 N ATOM 0 H GLN A 39 9.465 -9.946 10.582 1.00 63.44 H new ATOM 0 HA GLN A 39 12.213 -10.598 11.159 1.00 72.30 H new ATOM 0 HB2 GLN A 39 11.718 -9.566 13.315 1.00 13.03 H new ATOM 0 HB3 GLN A 39 11.112 -8.560 12.014 1.00 13.03 H new ATOM 0 HG2 GLN A 39 9.329 -8.512 13.488 1.00 62.05 H new ATOM 0 HG3 GLN A 39 8.846 -9.810 12.414 1.00 62.05 H new ATOM 0 HE21 GLN A 39 7.460 -10.519 14.181 1.00 23.14 H new ATOM 0 HE22 GLN A 39 8.148 -11.490 15.486 1.00 23.14 H new ATOM 689 N GLU A 40 9.833 -12.588 12.077 1.00 14.23 N ATOM 690 CA GLU A 40 9.532 -13.873 12.698 1.00 45.22 C ATOM 691 C GLU A 40 10.052 -15.025 11.842 1.00 15.31 C ATOM 692 O GLU A 40 10.423 -16.079 12.359 1.00 51.41 O ATOM 693 CB GLU A 40 8.025 -14.021 12.912 1.00 73.12 C ATOM 694 CG GLU A 40 7.629 -15.333 13.568 1.00 62.30 C ATOM 695 CD GLU A 40 8.074 -15.419 15.015 1.00 21.31 C ATOM 696 OE1 GLU A 40 7.656 -14.557 15.816 1.00 53.01 O ATOM 697 OE2 GLU A 40 8.840 -16.348 15.347 1.00 41.13 O ATOM 0 H GLU A 40 9.072 -12.200 11.520 1.00 14.23 H new ATOM 0 HA GLU A 40 10.033 -13.907 13.665 1.00 45.22 H new ATOM 0 HB2 GLU A 40 7.671 -13.195 13.529 1.00 73.12 H new ATOM 0 HB3 GLU A 40 7.520 -13.939 11.949 1.00 73.12 H new ATOM 0 HG2 GLU A 40 6.546 -15.448 13.517 1.00 62.30 H new ATOM 0 HG3 GLU A 40 8.064 -16.161 13.008 1.00 62.30 H new ATOM 704 N VAL A 41 10.074 -14.816 10.529 1.00 13.25 N ATOM 705 CA VAL A 41 10.547 -15.835 9.601 1.00 22.40 C ATOM 706 C VAL A 41 12.056 -15.742 9.406 1.00 63.45 C ATOM 707 O VAL A 41 12.705 -16.717 9.025 1.00 21.11 O ATOM 708 CB VAL A 41 9.855 -15.712 8.231 1.00 55.01 C ATOM 709 CG1 VAL A 41 8.348 -15.865 8.378 1.00 23.10 C ATOM 710 CG2 VAL A 41 10.202 -14.384 7.576 1.00 2.53 C ATOM 0 H VAL A 41 9.770 -13.950 10.085 1.00 13.25 H new ATOM 0 HA VAL A 41 10.299 -16.802 10.039 1.00 22.40 H new ATOM 0 HB VAL A 41 10.217 -16.514 7.588 1.00 55.01 H new ATOM 0 HG11 VAL A 41 7.876 -15.775 7.400 1.00 23.10 H new ATOM 0 HG12 VAL A 41 8.121 -16.843 8.802 1.00 23.10 H new ATOM 0 HG13 VAL A 41 7.966 -15.086 9.038 1.00 23.10 H new ATOM 0 HG21 VAL A 41 9.704 -14.314 6.609 1.00 2.53 H new ATOM 0 HG22 VAL A 41 9.870 -13.566 8.215 1.00 2.53 H new ATOM 0 HG23 VAL A 41 11.281 -14.319 7.434 1.00 2.53 H new ATOM 720 N PHE A 42 12.610 -14.563 9.669 1.00 71.33 N ATOM 721 CA PHE A 42 14.044 -14.342 9.521 1.00 13.04 C ATOM 722 C PHE A 42 14.779 -14.655 10.821 1.00 32.33 C ATOM 723 O PHE A 42 15.810 -15.326 10.818 1.00 32.41 O ATOM 724 CB PHE A 42 14.318 -12.896 9.103 1.00 13.12 C ATOM 725 CG PHE A 42 14.176 -12.662 7.626 1.00 13.23 C ATOM 726 CD1 PHE A 42 13.236 -13.363 6.888 1.00 42.14 C ATOM 727 CD2 PHE A 42 14.981 -11.740 6.977 1.00 63.41 C ATOM 728 CE1 PHE A 42 13.104 -13.150 5.528 1.00 2.05 C ATOM 729 CE2 PHE A 42 14.853 -11.523 5.618 1.00 45.11 C ATOM 730 CZ PHE A 42 13.913 -12.228 4.893 1.00 11.00 C ATOM 0 H PHE A 42 12.088 -13.746 9.986 1.00 71.33 H new ATOM 0 HA PHE A 42 14.412 -15.013 8.745 1.00 13.04 H new ATOM 0 HB2 PHE A 42 13.632 -12.236 9.635 1.00 13.12 H new ATOM 0 HB3 PHE A 42 15.327 -12.622 9.411 1.00 13.12 H new ATOM 0 HD1 PHE A 42 12.600 -14.084 7.380 1.00 42.14 H new ATOM 0 HD2 PHE A 42 15.717 -11.184 7.539 1.00 63.41 H new ATOM 0 HE1 PHE A 42 12.369 -13.704 4.963 1.00 2.05 H new ATOM 0 HE2 PHE A 42 15.488 -10.803 5.124 1.00 45.11 H new ATOM 0 HZ PHE A 42 13.810 -12.059 3.831 1.00 11.00 H new ATOM 740 N GLY A 43 14.240 -14.163 11.933 1.00 53.13 N ATOM 741 CA GLY A 43 14.857 -14.400 13.225 1.00 41.45 C ATOM 742 C GLY A 43 15.209 -13.112 13.944 1.00 71.44 C ATOM 743 O GLY A 43 15.023 -13.000 15.155 1.00 42.21 O ATOM 0 H GLY A 43 13.387 -13.605 11.962 1.00 53.13 H new ATOM 0 HA2 GLY A 43 14.179 -14.986 13.846 1.00 41.45 H new ATOM 0 HA3 GLY A 43 15.760 -14.995 13.089 1.00 41.45 H new ATOM 747 N MET A 44 15.720 -12.140 13.196 1.00 11.52 N ATOM 748 CA MET A 44 16.099 -10.854 13.771 1.00 41.13 C ATOM 749 C MET A 44 14.879 -9.955 13.944 1.00 30.04 C ATOM 750 O MET A 44 13.743 -10.394 13.766 1.00 13.41 O ATOM 751 CB MET A 44 17.136 -10.161 12.884 1.00 14.13 C ATOM 752 CG MET A 44 16.757 -10.136 11.412 1.00 0.23 C ATOM 753 SD MET A 44 17.604 -11.408 10.456 1.00 71.04 S ATOM 754 CE MET A 44 18.452 -10.407 9.237 1.00 43.42 C ATOM 0 H MET A 44 15.881 -12.218 12.192 1.00 11.52 H new ATOM 0 HA MET A 44 16.535 -11.037 14.753 1.00 41.13 H new ATOM 0 HB2 MET A 44 17.274 -9.138 13.233 1.00 14.13 H new ATOM 0 HB3 MET A 44 18.094 -10.668 12.995 1.00 14.13 H new ATOM 0 HG2 MET A 44 15.680 -10.271 11.316 1.00 0.23 H new ATOM 0 HG3 MET A 44 16.994 -9.157 10.996 1.00 0.23 H new ATOM 0 HE1 MET A 44 19.431 -10.838 9.029 1.00 43.42 H new ATOM 0 HE2 MET A 44 17.866 -10.378 8.318 1.00 43.42 H new ATOM 0 HE3 MET A 44 18.576 -9.394 9.620 1.00 43.42 H new ATOM 764 N SER A 45 15.122 -8.696 14.294 1.00 41.23 N ATOM 765 CA SER A 45 14.043 -7.736 14.495 1.00 35.55 C ATOM 766 C SER A 45 13.752 -6.967 13.211 1.00 45.25 C ATOM 767 O SER A 45 14.646 -6.743 12.393 1.00 0.34 O ATOM 768 CB SER A 45 14.402 -6.761 15.618 1.00 50.23 C ATOM 769 OG SER A 45 14.675 -5.469 15.103 1.00 74.13 O ATOM 0 H SER A 45 16.057 -8.317 14.444 1.00 41.23 H new ATOM 0 HA SER A 45 13.147 -8.289 14.776 1.00 35.55 H new ATOM 0 HB2 SER A 45 13.580 -6.705 16.332 1.00 50.23 H new ATOM 0 HB3 SER A 45 15.272 -7.131 16.161 1.00 50.23 H new ATOM 0 HG SER A 45 14.900 -4.864 15.840 1.00 74.13 H new ATOM 775 N ILE A 46 12.498 -6.565 13.040 1.00 54.04 N ATOM 776 CA ILE A 46 12.089 -5.820 11.855 1.00 2.33 C ATOM 777 C ILE A 46 12.950 -4.575 11.665 1.00 61.51 C ATOM 778 O ILE A 46 13.186 -4.139 10.539 1.00 15.40 O ATOM 779 CB ILE A 46 10.610 -5.399 11.937 1.00 31.12 C ATOM 780 CG1 ILE A 46 10.055 -5.130 10.537 1.00 63.22 C ATOM 781 CG2 ILE A 46 10.457 -4.168 12.819 1.00 62.44 C ATOM 782 CD1 ILE A 46 10.218 -3.695 10.088 1.00 54.21 C ATOM 0 H ILE A 46 11.747 -6.742 13.707 1.00 54.04 H new ATOM 0 HA ILE A 46 12.222 -6.486 11.002 1.00 2.33 H new ATOM 0 HB ILE A 46 10.040 -6.214 12.383 1.00 31.12 H new ATOM 0 HG12 ILE A 46 10.557 -5.784 9.824 1.00 63.22 H new ATOM 0 HG13 ILE A 46 8.997 -5.390 10.518 1.00 63.22 H new ATOM 0 HG21 ILE A 46 9.406 -3.883 12.867 1.00 62.44 H new ATOM 0 HG22 ILE A 46 10.818 -4.392 13.823 1.00 62.44 H new ATOM 0 HG23 ILE A 46 11.037 -3.346 12.400 1.00 62.44 H new ATOM 0 HD11 ILE A 46 9.802 -3.577 9.087 1.00 54.21 H new ATOM 0 HD12 ILE A 46 9.693 -3.036 10.779 1.00 54.21 H new ATOM 0 HD13 ILE A 46 11.277 -3.436 10.074 1.00 54.21 H new ATOM 794 N GLU A 47 13.418 -4.011 12.774 1.00 43.02 N ATOM 795 CA GLU A 47 14.254 -2.817 12.728 1.00 24.20 C ATOM 796 C GLU A 47 15.575 -3.105 12.019 1.00 12.41 C ATOM 797 O GLU A 47 16.085 -2.269 11.274 1.00 71.14 O ATOM 798 CB GLU A 47 14.524 -2.302 14.143 1.00 24.13 C ATOM 799 CG GLU A 47 13.287 -2.266 15.024 1.00 30.34 C ATOM 800 CD GLU A 47 13.511 -1.502 16.315 1.00 44.04 C ATOM 801 OE1 GLU A 47 13.753 -0.279 16.244 1.00 12.43 O ATOM 802 OE2 GLU A 47 13.446 -2.126 17.394 1.00 60.41 O ATOM 0 H GLU A 47 13.233 -4.361 13.714 1.00 43.02 H new ATOM 0 HA GLU A 47 13.719 -2.051 12.166 1.00 24.20 H new ATOM 0 HB2 GLU A 47 15.276 -2.935 14.613 1.00 24.13 H new ATOM 0 HB3 GLU A 47 14.945 -1.298 14.081 1.00 24.13 H new ATOM 0 HG2 GLU A 47 12.466 -1.807 14.473 1.00 30.34 H new ATOM 0 HG3 GLU A 47 12.983 -3.286 15.258 1.00 30.34 H new ATOM 809 N GLU A 48 16.122 -4.292 12.258 1.00 30.34 N ATOM 810 CA GLU A 48 17.383 -4.689 11.644 1.00 64.20 C ATOM 811 C GLU A 48 17.295 -4.613 10.122 1.00 3.15 C ATOM 812 O GLU A 48 18.219 -4.142 9.459 1.00 41.22 O ATOM 813 CB GLU A 48 17.761 -6.108 12.073 1.00 22.44 C ATOM 814 CG GLU A 48 19.234 -6.430 11.884 1.00 40.04 C ATOM 815 CD GLU A 48 19.611 -7.788 12.442 1.00 62.51 C ATOM 816 OE1 GLU A 48 19.449 -7.995 13.663 1.00 44.43 O ATOM 817 OE2 GLU A 48 20.068 -8.646 11.657 1.00 41.32 O ATOM 0 H GLU A 48 15.712 -4.995 12.872 1.00 30.34 H new ATOM 0 HA GLU A 48 18.155 -3.997 11.982 1.00 64.20 H new ATOM 0 HB2 GLU A 48 17.500 -6.243 13.123 1.00 22.44 H new ATOM 0 HB3 GLU A 48 17.166 -6.821 11.503 1.00 22.44 H new ATOM 0 HG2 GLU A 48 19.475 -6.398 10.822 1.00 40.04 H new ATOM 0 HG3 GLU A 48 19.835 -5.662 12.371 1.00 40.04 H new ATOM 824 N PHE A 49 16.178 -5.080 9.576 1.00 34.33 N ATOM 825 CA PHE A 49 15.968 -5.067 8.133 1.00 23.02 C ATOM 826 C PHE A 49 16.073 -3.648 7.581 1.00 30.25 C ATOM 827 O PHE A 49 16.862 -3.380 6.675 1.00 13.21 O ATOM 828 CB PHE A 49 14.600 -5.660 7.789 1.00 25.44 C ATOM 829 CG PHE A 49 14.360 -7.009 8.406 1.00 40.15 C ATOM 830 CD1 PHE A 49 15.365 -7.962 8.432 1.00 62.32 C ATOM 831 CD2 PHE A 49 13.129 -7.323 8.959 1.00 63.02 C ATOM 832 CE1 PHE A 49 15.146 -9.204 8.997 1.00 22.24 C ATOM 833 CE2 PHE A 49 12.905 -8.563 9.526 1.00 35.32 C ATOM 834 CZ PHE A 49 13.915 -9.505 9.546 1.00 11.44 C ATOM 0 H PHE A 49 15.403 -5.473 10.111 1.00 34.33 H new ATOM 0 HA PHE A 49 16.746 -5.676 7.673 1.00 23.02 H new ATOM 0 HB2 PHE A 49 13.821 -4.973 8.121 1.00 25.44 H new ATOM 0 HB3 PHE A 49 14.511 -5.743 6.706 1.00 25.44 H new ATOM 0 HD1 PHE A 49 16.330 -7.732 8.006 1.00 62.32 H new ATOM 0 HD2 PHE A 49 12.336 -6.590 8.947 1.00 63.02 H new ATOM 0 HE1 PHE A 49 15.937 -9.939 9.009 1.00 22.24 H new ATOM 0 HE2 PHE A 49 11.941 -8.796 9.953 1.00 35.32 H new ATOM 0 HZ PHE A 49 13.743 -10.474 9.990 1.00 11.44 H new ATOM 844 N ASP A 50 15.272 -2.744 8.134 1.00 33.44 N ATOM 845 CA ASP A 50 15.273 -1.353 7.699 1.00 5.41 C ATOM 846 C ASP A 50 16.672 -0.753 7.803 1.00 42.42 C ATOM 847 O ASP A 50 17.076 0.053 6.964 1.00 25.12 O ATOM 848 CB ASP A 50 14.290 -0.533 8.536 1.00 40.01 C ATOM 849 CG ASP A 50 14.044 0.846 7.955 1.00 60.53 C ATOM 850 OD1 ASP A 50 14.004 0.968 6.712 1.00 23.53 O ATOM 851 OD2 ASP A 50 13.890 1.802 8.742 1.00 4.12 O ATOM 0 H ASP A 50 14.613 -2.950 8.885 1.00 33.44 H new ATOM 0 HA ASP A 50 14.961 -1.324 6.655 1.00 5.41 H new ATOM 0 HB2 ASP A 50 13.343 -1.068 8.607 1.00 40.01 H new ATOM 0 HB3 ASP A 50 14.676 -0.433 9.550 1.00 40.01 H new ATOM 856 N ARG A 51 17.406 -1.150 8.837 1.00 13.25 N ATOM 857 CA ARG A 51 18.758 -0.650 9.052 1.00 1.51 C ATOM 858 C ARG A 51 19.740 -1.305 8.086 1.00 61.15 C ATOM 859 O ARG A 51 20.786 -0.738 7.767 1.00 62.22 O ATOM 860 CB ARG A 51 19.197 -0.907 10.495 1.00 61.23 C ATOM 861 CG ARG A 51 18.902 0.248 11.437 1.00 53.41 C ATOM 862 CD ARG A 51 17.615 0.019 12.214 1.00 21.52 C ATOM 863 NE ARG A 51 17.498 0.919 13.358 1.00 42.22 N ATOM 864 CZ ARG A 51 17.270 2.223 13.246 1.00 1.01 C ATOM 865 NH1 ARG A 51 17.135 2.776 12.049 1.00 74.55 N ATOM 866 NH2 ARG A 51 17.177 2.977 14.334 1.00 15.00 N ATOM 0 H ARG A 51 17.087 -1.817 9.539 1.00 13.25 H new ATOM 0 HA ARG A 51 18.754 0.424 8.867 1.00 1.51 H new ATOM 0 HB2 ARG A 51 18.697 -1.802 10.864 1.00 61.23 H new ATOM 0 HB3 ARG A 51 20.268 -1.112 10.509 1.00 61.23 H new ATOM 0 HG2 ARG A 51 19.731 0.372 12.133 1.00 53.41 H new ATOM 0 HG3 ARG A 51 18.824 1.173 10.866 1.00 53.41 H new ATOM 0 HD2 ARG A 51 16.761 0.162 11.551 1.00 21.52 H new ATOM 0 HD3 ARG A 51 17.580 -1.014 12.560 1.00 21.52 H new ATOM 0 HE ARG A 51 17.597 0.525 14.294 1.00 42.22 H new ATOM 0 HH11 ARG A 51 17.206 2.200 11.210 1.00 74.55 H new ATOM 0 HH12 ARG A 51 16.960 3.777 11.967 1.00 74.55 H new ATOM 0 HH21 ARG A 51 17.281 2.555 15.257 1.00 15.00 H new ATOM 0 HH22 ARG A 51 17.002 3.978 14.247 1.00 15.00 H new ATOM 880 N LEU A 52 19.397 -2.502 7.623 1.00 73.02 N ATOM 881 CA LEU A 52 20.248 -3.236 6.693 1.00 52.24 C ATOM 882 C LEU A 52 20.077 -2.713 5.270 1.00 44.30 C ATOM 883 O LEU A 52 19.218 -1.873 5.006 1.00 53.31 O ATOM 884 CB LEU A 52 19.921 -4.729 6.742 1.00 64.45 C ATOM 885 CG LEU A 52 20.496 -5.503 7.929 1.00 73.54 C ATOM 886 CD1 LEU A 52 19.869 -6.886 8.018 1.00 61.33 C ATOM 887 CD2 LEU A 52 22.010 -5.608 7.815 1.00 74.33 C ATOM 0 H LEU A 52 18.535 -2.985 7.877 1.00 73.02 H new ATOM 0 HA LEU A 52 21.285 -3.087 6.993 1.00 52.24 H new ATOM 0 HB2 LEU A 52 18.837 -4.843 6.750 1.00 64.45 H new ATOM 0 HB3 LEU A 52 20.283 -5.190 5.823 1.00 64.45 H new ATOM 0 HG LEU A 52 20.258 -4.959 8.843 1.00 73.54 H new ATOM 0 HD11 LEU A 52 20.290 -7.422 8.868 1.00 61.33 H new ATOM 0 HD12 LEU A 52 18.791 -6.789 8.148 1.00 61.33 H new ATOM 0 HD13 LEU A 52 20.076 -7.439 7.102 1.00 61.33 H new ATOM 0 HD21 LEU A 52 22.402 -6.162 8.668 1.00 74.33 H new ATOM 0 HD22 LEU A 52 22.270 -6.129 6.894 1.00 74.33 H new ATOM 0 HD23 LEU A 52 22.444 -4.608 7.801 1.00 74.33 H new ATOM 899 N ALA A 53 20.901 -3.217 4.357 1.00 71.01 N ATOM 900 CA ALA A 53 20.838 -2.804 2.960 1.00 4.15 C ATOM 901 C ALA A 53 20.012 -3.784 2.135 1.00 50.24 C ATOM 902 O ALA A 53 19.618 -4.845 2.622 1.00 44.53 O ATOM 903 CB ALA A 53 22.241 -2.677 2.384 1.00 11.14 C ATOM 0 H ALA A 53 21.620 -3.912 4.560 1.00 71.01 H new ATOM 0 HA ALA A 53 20.349 -1.831 2.916 1.00 4.15 H new ATOM 0 HB1 ALA A 53 22.179 -2.368 1.341 1.00 11.14 H new ATOM 0 HB2 ALA A 53 22.801 -1.933 2.950 1.00 11.14 H new ATOM 0 HB3 ALA A 53 22.749 -3.639 2.448 1.00 11.14 H new ATOM 909 N LEU A 54 19.751 -3.422 0.883 1.00 23.41 N ATOM 910 CA LEU A 54 18.970 -4.270 -0.011 1.00 63.11 C ATOM 911 C LEU A 54 19.635 -5.631 -0.190 1.00 63.12 C ATOM 912 O LEU A 54 19.024 -6.669 0.063 1.00 24.31 O ATOM 913 CB LEU A 54 18.800 -3.590 -1.371 1.00 31.13 C ATOM 914 CG LEU A 54 17.473 -3.846 -2.087 1.00 45.53 C ATOM 915 CD1 LEU A 54 17.663 -3.793 -3.595 1.00 72.24 C ATOM 916 CD2 LEU A 54 16.890 -5.187 -1.667 1.00 40.24 C ATOM 0 H LEU A 54 20.069 -2.548 0.465 1.00 23.41 H new ATOM 0 HA LEU A 54 17.988 -4.422 0.438 1.00 63.11 H new ATOM 0 HB2 LEU A 54 18.915 -2.515 -1.234 1.00 31.13 H new ATOM 0 HB3 LEU A 54 19.611 -3.917 -2.022 1.00 31.13 H new ATOM 0 HG LEU A 54 16.770 -3.063 -1.802 1.00 45.53 H new ATOM 0 HD11 LEU A 54 16.709 -3.977 -4.089 1.00 72.24 H new ATOM 0 HD12 LEU A 54 18.035 -2.809 -3.880 1.00 72.24 H new ATOM 0 HD13 LEU A 54 18.381 -4.555 -3.898 1.00 72.24 H new ATOM 0 HD21 LEU A 54 15.946 -5.352 -2.186 1.00 40.24 H new ATOM 0 HD22 LEU A 54 17.589 -5.984 -1.922 1.00 40.24 H new ATOM 0 HD23 LEU A 54 16.717 -5.187 -0.591 1.00 40.24 H new ATOM 928 N TRP A 55 20.890 -5.618 -0.626 1.00 13.32 N ATOM 929 CA TRP A 55 21.639 -6.852 -0.836 1.00 54.55 C ATOM 930 C TRP A 55 21.429 -7.820 0.323 1.00 45.25 C ATOM 931 O TRP A 55 21.291 -9.026 0.120 1.00 73.23 O ATOM 932 CB TRP A 55 23.128 -6.546 -1.000 1.00 25.41 C ATOM 933 CG TRP A 55 23.787 -6.103 0.271 1.00 12.44 C ATOM 934 CD1 TRP A 55 23.925 -4.820 0.718 1.00 12.53 C ATOM 935 CD2 TRP A 55 24.398 -6.941 1.258 1.00 61.12 C ATOM 936 NE1 TRP A 55 24.585 -4.810 1.923 1.00 2.13 N ATOM 937 CE2 TRP A 55 24.886 -6.099 2.276 1.00 15.13 C ATOM 938 CE3 TRP A 55 24.579 -8.321 1.381 1.00 23.31 C ATOM 939 CZ2 TRP A 55 25.542 -6.593 3.400 1.00 22.41 C ATOM 940 CZ3 TRP A 55 25.232 -8.810 2.497 1.00 74.42 C ATOM 941 CH2 TRP A 55 25.706 -7.949 3.495 1.00 51.33 C ATOM 0 H TRP A 55 21.410 -4.767 -0.841 1.00 13.32 H new ATOM 0 HA TRP A 55 21.270 -7.322 -1.747 1.00 54.55 H new ATOM 0 HB2 TRP A 55 23.635 -7.436 -1.373 1.00 25.41 H new ATOM 0 HB3 TRP A 55 23.251 -5.769 -1.755 1.00 25.41 H new ATOM 0 HD1 TRP A 55 23.568 -3.942 0.200 1.00 12.53 H new ATOM 0 HE1 TRP A 55 24.814 -3.978 2.467 1.00 2.13 H new ATOM 0 HE3 TRP A 55 24.215 -8.993 0.618 1.00 23.31 H new ATOM 0 HZ2 TRP A 55 25.909 -5.930 4.170 1.00 22.41 H new ATOM 0 HZ3 TRP A 55 25.379 -9.875 2.601 1.00 74.42 H new ATOM 0 HH2 TRP A 55 26.210 -8.363 4.356 1.00 51.33 H new ATOM 952 N LYS A 56 21.408 -7.285 1.538 1.00 13.45 N ATOM 953 CA LYS A 56 21.214 -8.101 2.731 1.00 52.11 C ATOM 954 C LYS A 56 19.787 -8.637 2.798 1.00 42.35 C ATOM 955 O LYS A 56 19.572 -9.829 3.014 1.00 73.43 O ATOM 956 CB LYS A 56 21.523 -7.285 3.988 1.00 33.13 C ATOM 957 CG LYS A 56 21.656 -8.130 5.244 1.00 51.52 C ATOM 958 CD LYS A 56 23.040 -8.745 5.357 1.00 24.43 C ATOM 959 CE LYS A 56 23.249 -9.401 6.714 1.00 44.32 C ATOM 960 NZ LYS A 56 24.669 -9.321 7.156 1.00 43.34 N ATOM 0 H LYS A 56 21.523 -6.289 1.723 1.00 13.45 H new ATOM 0 HA LYS A 56 21.899 -8.947 2.677 1.00 52.11 H new ATOM 0 HB2 LYS A 56 22.449 -6.731 3.833 1.00 33.13 H new ATOM 0 HB3 LYS A 56 20.733 -6.549 4.137 1.00 33.13 H new ATOM 0 HG2 LYS A 56 21.458 -7.514 6.121 1.00 51.52 H new ATOM 0 HG3 LYS A 56 20.905 -8.920 5.233 1.00 51.52 H new ATOM 0 HD2 LYS A 56 23.176 -9.486 4.569 1.00 24.43 H new ATOM 0 HD3 LYS A 56 23.795 -7.974 5.204 1.00 24.43 H new ATOM 0 HE2 LYS A 56 22.611 -8.917 7.453 1.00 44.32 H new ATOM 0 HE3 LYS A 56 22.943 -10.446 6.663 1.00 44.32 H new ATOM 0 HZ1 LYS A 56 24.770 -9.779 8.084 1.00 43.34 H new ATOM 0 HZ2 LYS A 56 25.276 -9.805 6.464 1.00 43.34 H new ATOM 0 HZ3 LYS A 56 24.954 -8.324 7.229 1.00 43.34 H new ATOM 974 N ARG A 57 18.817 -7.748 2.609 1.00 31.41 N ATOM 975 CA ARG A 57 17.411 -8.133 2.648 1.00 41.24 C ATOM 976 C ARG A 57 17.121 -9.236 1.634 1.00 41.10 C ATOM 977 O ARG A 57 16.338 -10.146 1.900 1.00 73.31 O ATOM 978 CB ARG A 57 16.521 -6.921 2.367 1.00 41.43 C ATOM 979 CG ARG A 57 16.923 -5.677 3.143 1.00 42.05 C ATOM 980 CD ARG A 57 15.758 -5.121 3.946 1.00 40.42 C ATOM 981 NE ARG A 57 14.662 -4.680 3.087 1.00 2.41 N ATOM 982 CZ ARG A 57 14.641 -3.505 2.468 1.00 50.34 C ATOM 983 NH1 ARG A 57 15.651 -2.658 2.611 1.00 50.23 N ATOM 984 NH2 ARG A 57 13.608 -3.175 1.703 1.00 61.24 N ATOM 0 H ARG A 57 18.979 -6.757 2.428 1.00 31.41 H new ATOM 0 HA ARG A 57 17.192 -8.513 3.646 1.00 41.24 H new ATOM 0 HB2 ARG A 57 16.550 -6.699 1.300 1.00 41.43 H new ATOM 0 HB3 ARG A 57 15.489 -7.174 2.612 1.00 41.43 H new ATOM 0 HG2 ARG A 57 17.748 -5.916 3.814 1.00 42.05 H new ATOM 0 HG3 ARG A 57 17.285 -4.917 2.451 1.00 42.05 H new ATOM 0 HD2 ARG A 57 15.395 -5.885 4.634 1.00 40.42 H new ATOM 0 HD3 ARG A 57 16.103 -4.284 4.553 1.00 40.42 H new ATOM 0 HE ARG A 57 13.870 -5.309 2.955 1.00 2.41 H new ATOM 0 HH11 ARG A 57 16.447 -2.908 3.198 1.00 50.23 H new ATOM 0 HH12 ARG A 57 15.632 -1.756 2.134 1.00 50.23 H new ATOM 0 HH21 ARG A 57 12.829 -3.824 1.590 1.00 61.24 H new ATOM 0 HH22 ARG A 57 13.593 -2.272 1.228 1.00 61.24 H new ATOM 998 N ASN A 58 17.758 -9.146 0.471 1.00 25.41 N ATOM 999 CA ASN A 58 17.568 -10.136 -0.583 1.00 21.10 C ATOM 1000 C ASN A 58 18.132 -11.491 -0.165 1.00 51.13 C ATOM 1001 O ASN A 58 17.444 -12.510 -0.237 1.00 3.42 O ATOM 1002 CB ASN A 58 18.238 -9.669 -1.877 1.00 23.22 C ATOM 1003 CG ASN A 58 17.311 -8.836 -2.740 1.00 73.44 C ATOM 1004 OD1 ASN A 58 16.141 -9.176 -2.921 1.00 42.11 O ATOM 1005 ND2 ASN A 58 17.830 -7.739 -3.279 1.00 21.30 N ATOM 0 H ASN A 58 18.410 -8.398 0.235 1.00 25.41 H new ATOM 0 HA ASN A 58 16.497 -10.246 -0.755 1.00 21.10 H new ATOM 0 HB2 ASN A 58 19.125 -9.085 -1.633 1.00 23.22 H new ATOM 0 HB3 ASN A 58 18.574 -10.538 -2.443 1.00 23.22 H new ATOM 0 HD21 ASN A 58 17.254 -7.140 -3.870 1.00 21.30 H new ATOM 0 HD22 ASN A 58 18.805 -7.496 -3.102 1.00 21.30 H new ATOM 1012 N ASP A 59 19.387 -11.494 0.271 1.00 74.10 N ATOM 1013 CA ASP A 59 20.043 -12.723 0.702 1.00 0.11 C ATOM 1014 C ASP A 59 19.222 -13.430 1.776 1.00 53.12 C ATOM 1015 O ASP A 59 18.906 -14.614 1.652 1.00 54.04 O ATOM 1016 CB ASP A 59 21.445 -12.418 1.233 1.00 72.43 C ATOM 1017 CG ASP A 59 22.192 -13.671 1.646 1.00 21.11 C ATOM 1018 OD1 ASP A 59 21.965 -14.151 2.776 1.00 31.21 O ATOM 1019 OD2 ASP A 59 23.005 -14.171 0.840 1.00 51.20 O ATOM 0 H ASP A 59 19.970 -10.660 0.335 1.00 74.10 H new ATOM 0 HA ASP A 59 20.125 -13.384 -0.161 1.00 0.11 H new ATOM 0 HB2 ASP A 59 22.015 -11.895 0.466 1.00 72.43 H new ATOM 0 HB3 ASP A 59 21.369 -11.746 2.087 1.00 72.43 H new ATOM 1024 N LEU A 60 18.880 -12.697 2.830 1.00 70.31 N ATOM 1025 CA LEU A 60 18.096 -13.254 3.927 1.00 71.21 C ATOM 1026 C LEU A 60 16.768 -13.809 3.421 1.00 43.34 C ATOM 1027 O LEU A 60 16.293 -14.841 3.895 1.00 55.43 O ATOM 1028 CB LEU A 60 17.843 -12.186 4.992 1.00 34.12 C ATOM 1029 CG LEU A 60 19.086 -11.554 5.618 1.00 3.00 C ATOM 1030 CD1 LEU A 60 18.803 -10.120 6.037 1.00 13.12 C ATOM 1031 CD2 LEU A 60 19.561 -12.375 6.808 1.00 72.51 C ATOM 0 H LEU A 60 19.133 -11.716 2.948 1.00 70.31 H new ATOM 0 HA LEU A 60 18.665 -14.072 4.369 1.00 71.21 H new ATOM 0 HB2 LEU A 60 17.242 -11.393 4.547 1.00 34.12 H new ATOM 0 HB3 LEU A 60 17.246 -12.630 5.788 1.00 34.12 H new ATOM 0 HG LEU A 60 19.879 -11.543 4.870 1.00 3.00 H new ATOM 0 HD11 LEU A 60 19.700 -9.687 6.480 1.00 13.12 H new ATOM 0 HD12 LEU A 60 18.512 -9.536 5.164 1.00 13.12 H new ATOM 0 HD13 LEU A 60 17.994 -10.107 6.768 1.00 13.12 H new ATOM 0 HD21 LEU A 60 20.447 -11.910 7.241 1.00 72.51 H new ATOM 0 HD22 LEU A 60 18.771 -12.419 7.558 1.00 72.51 H new ATOM 0 HD23 LEU A 60 19.806 -13.385 6.479 1.00 72.51 H new ATOM 1043 N LYS A 61 16.175 -13.118 2.453 1.00 50.01 N ATOM 1044 CA LYS A 61 14.904 -13.542 1.878 1.00 13.04 C ATOM 1045 C LYS A 61 15.011 -14.949 1.299 1.00 51.35 C ATOM 1046 O LYS A 61 14.231 -15.836 1.645 1.00 15.32 O ATOM 1047 CB LYS A 61 14.461 -12.562 0.789 1.00 33.33 C ATOM 1048 CG LYS A 61 13.523 -11.478 1.291 1.00 30.14 C ATOM 1049 CD LYS A 61 12.746 -10.841 0.151 1.00 31.25 C ATOM 1050 CE LYS A 61 13.505 -9.671 -0.455 1.00 12.21 C ATOM 1051 NZ LYS A 61 12.625 -8.818 -1.301 1.00 61.25 N ATOM 0 H LYS A 61 16.555 -12.261 2.050 1.00 50.01 H new ATOM 0 HA LYS A 61 14.159 -13.552 2.674 1.00 13.04 H new ATOM 0 HB2 LYS A 61 15.343 -12.094 0.353 1.00 33.33 H new ATOM 0 HB3 LYS A 61 13.967 -13.117 -0.009 1.00 33.33 H new ATOM 0 HG2 LYS A 61 12.827 -11.904 2.014 1.00 30.14 H new ATOM 0 HG3 LYS A 61 14.097 -10.713 1.814 1.00 30.14 H new ATOM 0 HD2 LYS A 61 12.550 -11.587 -0.619 1.00 31.25 H new ATOM 0 HD3 LYS A 61 11.778 -10.498 0.516 1.00 31.25 H new ATOM 0 HE2 LYS A 61 13.939 -9.067 0.342 1.00 12.21 H new ATOM 0 HE3 LYS A 61 14.333 -10.047 -1.056 1.00 12.21 H new ATOM 0 HZ1 LYS A 61 13.188 -8.385 -2.061 1.00 61.25 H new ATOM 0 HZ2 LYS A 61 11.872 -9.402 -1.718 1.00 61.25 H new ATOM 0 HZ3 LYS A 61 12.199 -8.071 -0.716 1.00 61.25 H new ATOM 1065 N LYS A 62 15.983 -15.147 0.415 1.00 42.12 N ATOM 1066 CA LYS A 62 16.195 -16.446 -0.212 1.00 21.44 C ATOM 1067 C LYS A 62 16.377 -17.535 0.841 1.00 1.24 C ATOM 1068 O LYS A 62 15.840 -18.635 0.712 1.00 53.14 O ATOM 1069 CB LYS A 62 17.419 -16.400 -1.129 1.00 42.30 C ATOM 1070 CG LYS A 62 17.255 -15.466 -2.316 1.00 13.35 C ATOM 1071 CD LYS A 62 18.443 -14.530 -2.457 1.00 42.41 C ATOM 1072 CE LYS A 62 18.243 -13.543 -3.597 1.00 52.03 C ATOM 1073 NZ LYS A 62 19.498 -12.813 -3.926 1.00 64.13 N ATOM 0 H LYS A 62 16.637 -14.423 0.116 1.00 42.12 H new ATOM 0 HA LYS A 62 15.312 -16.682 -0.806 1.00 21.44 H new ATOM 0 HB2 LYS A 62 18.286 -16.087 -0.548 1.00 42.30 H new ATOM 0 HB3 LYS A 62 17.627 -17.406 -1.495 1.00 42.30 H new ATOM 0 HG2 LYS A 62 17.142 -16.052 -3.228 1.00 13.35 H new ATOM 0 HG3 LYS A 62 16.342 -14.882 -2.197 1.00 13.35 H new ATOM 0 HD2 LYS A 62 18.591 -13.985 -1.525 1.00 42.41 H new ATOM 0 HD3 LYS A 62 19.347 -15.112 -2.633 1.00 42.41 H new ATOM 0 HE2 LYS A 62 17.890 -14.075 -4.480 1.00 52.03 H new ATOM 0 HE3 LYS A 62 17.467 -12.827 -3.325 1.00 52.03 H new ATOM 0 HZ1 LYS A 62 19.320 -12.150 -4.707 1.00 64.13 H new ATOM 0 HZ2 LYS A 62 19.821 -12.284 -3.091 1.00 64.13 H new ATOM 0 HZ3 LYS A 62 20.231 -13.494 -4.210 1.00 64.13 H new ATOM 1087 N LYS A 63 17.137 -17.221 1.885 1.00 0.31 N ATOM 1088 CA LYS A 63 17.388 -18.170 2.963 1.00 61.33 C ATOM 1089 C LYS A 63 16.098 -18.507 3.703 1.00 14.20 C ATOM 1090 O LYS A 63 15.928 -19.620 4.198 1.00 34.45 O ATOM 1091 CB LYS A 63 18.417 -17.601 3.942 1.00 31.23 C ATOM 1092 CG LYS A 63 19.856 -17.812 3.504 1.00 72.40 C ATOM 1093 CD LYS A 63 20.824 -17.027 4.373 1.00 63.35 C ATOM 1094 CE LYS A 63 21.119 -17.754 5.676 1.00 63.14 C ATOM 1095 NZ LYS A 63 22.165 -18.800 5.503 1.00 71.32 N ATOM 0 H LYS A 63 17.590 -16.315 2.007 1.00 0.31 H new ATOM 0 HA LYS A 63 17.783 -19.086 2.522 1.00 61.33 H new ATOM 0 HB2 LYS A 63 18.237 -16.533 4.065 1.00 31.23 H new ATOM 0 HB3 LYS A 63 18.272 -18.064 4.918 1.00 31.23 H new ATOM 0 HG2 LYS A 63 20.100 -18.873 3.553 1.00 72.40 H new ATOM 0 HG3 LYS A 63 19.969 -17.506 2.464 1.00 72.40 H new ATOM 0 HD2 LYS A 63 21.754 -16.864 3.828 1.00 63.35 H new ATOM 0 HD3 LYS A 63 20.405 -16.044 4.590 1.00 63.35 H new ATOM 0 HE2 LYS A 63 21.445 -17.035 6.427 1.00 63.14 H new ATOM 0 HE3 LYS A 63 20.204 -18.213 6.051 1.00 63.14 H new ATOM 0 HZ1 LYS A 63 22.337 -19.272 6.413 1.00 71.32 H new ATOM 0 HZ2 LYS A 63 21.843 -19.500 4.805 1.00 71.32 H new ATOM 0 HZ3 LYS A 63 23.046 -18.358 5.170 1.00 71.32 H new ATOM 1109 N ALA A 64 15.191 -17.538 3.773 1.00 52.32 N ATOM 1110 CA ALA A 64 13.915 -17.733 4.449 1.00 14.03 C ATOM 1111 C ALA A 64 12.918 -18.452 3.546 1.00 45.54 C ATOM 1112 O ALA A 64 11.752 -18.623 3.903 1.00 61.13 O ATOM 1113 CB ALA A 64 13.348 -16.396 4.904 1.00 4.02 C ATOM 0 H ALA A 64 15.317 -16.610 3.369 1.00 52.32 H new ATOM 0 HA ALA A 64 14.089 -18.359 5.324 1.00 14.03 H new ATOM 0 HB1 ALA A 64 12.395 -16.557 5.407 1.00 4.02 H new ATOM 0 HB2 ALA A 64 14.046 -15.920 5.593 1.00 4.02 H new ATOM 0 HB3 ALA A 64 13.197 -15.751 4.038 1.00 4.02 H new ATOM 1119 N LEU A 65 13.384 -18.869 2.374 1.00 65.12 N ATOM 1120 CA LEU A 65 12.534 -19.569 1.418 1.00 73.24 C ATOM 1121 C LEU A 65 11.500 -18.624 0.814 1.00 43.41 C ATOM 1122 O LEU A 65 10.366 -19.019 0.539 1.00 25.15 O ATOM 1123 CB LEU A 65 11.830 -20.745 2.097 1.00 61.52 C ATOM 1124 CG LEU A 65 12.681 -21.568 3.065 1.00 12.03 C ATOM 1125 CD1 LEU A 65 11.832 -22.623 3.758 1.00 40.13 C ATOM 1126 CD2 LEU A 65 13.847 -22.215 2.333 1.00 21.50 C ATOM 0 H LEU A 65 14.346 -18.734 2.063 1.00 65.12 H new ATOM 0 HA LEU A 65 13.167 -19.946 0.615 1.00 73.24 H new ATOM 0 HB2 LEU A 65 10.966 -20.361 2.640 1.00 61.52 H new ATOM 0 HB3 LEU A 65 11.449 -21.411 1.323 1.00 61.52 H new ATOM 0 HG LEU A 65 13.083 -20.898 3.825 1.00 12.03 H new ATOM 0 HD11 LEU A 65 12.455 -23.199 4.443 1.00 40.13 H new ATOM 0 HD12 LEU A 65 11.032 -22.137 4.316 1.00 40.13 H new ATOM 0 HD13 LEU A 65 11.400 -23.290 3.012 1.00 40.13 H new ATOM 0 HD21 LEU A 65 14.441 -22.796 3.038 1.00 21.50 H new ATOM 0 HD22 LEU A 65 13.466 -22.872 1.551 1.00 21.50 H new ATOM 0 HD23 LEU A 65 14.470 -21.441 1.885 1.00 21.50 H new ATOM 1138 N LEU A 66 11.899 -17.373 0.607 1.00 24.55 N ATOM 1139 CA LEU A 66 11.009 -16.371 0.033 1.00 14.15 C ATOM 1140 C LEU A 66 11.176 -16.297 -1.481 1.00 34.21 C ATOM 1141 O LEU A 66 10.232 -15.978 -2.205 1.00 65.22 O ATOM 1142 CB LEU A 66 11.283 -15.001 0.656 1.00 52.55 C ATOM 1143 CG LEU A 66 10.339 -14.573 1.780 1.00 50.20 C ATOM 1144 CD1 LEU A 66 11.042 -13.619 2.733 1.00 21.13 C ATOM 1145 CD2 LEU A 66 9.085 -13.929 1.207 1.00 34.14 C ATOM 0 H LEU A 66 12.833 -17.029 0.828 1.00 24.55 H new ATOM 0 HA LEU A 66 9.982 -16.664 0.252 1.00 14.15 H new ATOM 0 HB2 LEU A 66 12.302 -14.998 1.044 1.00 52.55 H new ATOM 0 HB3 LEU A 66 11.240 -14.250 -0.133 1.00 52.55 H new ATOM 0 HG LEU A 66 10.044 -15.461 2.339 1.00 50.20 H new ATOM 0 HD11 LEU A 66 10.355 -13.325 3.526 1.00 21.13 H new ATOM 0 HD12 LEU A 66 11.909 -14.114 3.169 1.00 21.13 H new ATOM 0 HD13 LEU A 66 11.366 -12.733 2.187 1.00 21.13 H new ATOM 0 HD21 LEU A 66 8.425 -13.631 2.021 1.00 34.14 H new ATOM 0 HD22 LEU A 66 9.361 -13.051 0.623 1.00 34.14 H new ATOM 0 HD23 LEU A 66 8.570 -14.644 0.565 1.00 34.14 H new ATOM 1157 N PHE A 67 12.381 -16.596 -1.953 1.00 62.33 N ATOM 1158 CA PHE A 67 12.672 -16.565 -3.382 1.00 33.20 C ATOM 1159 C PHE A 67 12.895 -17.975 -3.922 1.00 50.33 C ATOM 1160 O PHE A 67 13.753 -18.709 -3.433 1.00 13.42 O ATOM 1161 CB PHE A 67 13.905 -15.701 -3.655 1.00 33.15 C ATOM 1162 CG PHE A 67 13.667 -14.233 -3.441 1.00 61.45 C ATOM 1163 CD1 PHE A 67 12.385 -13.748 -3.241 1.00 2.35 C ATOM 1164 CD2 PHE A 67 14.726 -13.339 -3.443 1.00 32.52 C ATOM 1165 CE1 PHE A 67 12.163 -12.398 -3.044 1.00 1.42 C ATOM 1166 CE2 PHE A 67 14.510 -11.989 -3.246 1.00 52.41 C ATOM 1167 CZ PHE A 67 13.227 -11.517 -3.048 1.00 11.13 C ATOM 0 H PHE A 67 13.172 -16.863 -1.367 1.00 62.33 H new ATOM 0 HA PHE A 67 11.813 -16.131 -3.893 1.00 33.20 H new ATOM 0 HB2 PHE A 67 14.718 -16.027 -3.007 1.00 33.15 H new ATOM 0 HB3 PHE A 67 14.232 -15.862 -4.682 1.00 33.15 H new ATOM 0 HD1 PHE A 67 11.550 -14.432 -3.239 1.00 2.35 H new ATOM 0 HD2 PHE A 67 15.731 -13.702 -3.600 1.00 32.52 H new ATOM 0 HE1 PHE A 67 11.159 -12.032 -2.887 1.00 1.42 H new ATOM 0 HE2 PHE A 67 15.344 -11.303 -3.247 1.00 52.41 H new ATOM 0 HZ PHE A 67 13.056 -10.461 -2.897 1.00 11.13 H new TER 1177 PHE A 67