USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 119:sc= 0.458 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 0.458 USER MOD Single : A 1 MET CE :methyl -158:sc=-0.00824 (180deg=-0.756) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.34 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.0819 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.0875 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.75) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.92 (180deg=1.73) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.028) USER MOD Single : A 41 GLN : amide:sc= 1.47 K(o=1.5,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.3) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.621 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.524 -6.633 -4.612 1.00 9.67 N ATOM 2 CA MET A 1 11.620 -6.818 -3.152 1.00 10.38 C ATOM 3 C MET A 1 10.231 -7.197 -2.642 1.00 9.62 C ATOM 4 O MET A 1 9.187 -6.857 -3.174 1.00 9.62 O ATOM 5 CB MET A 1 12.146 -5.603 -2.351 1.00 13.77 C ATOM 6 CG MET A 1 11.405 -4.285 -2.568 1.00 16.29 C ATOM 7 SD MET A 1 12.144 -2.793 -1.715 1.00 17.17 S ATOM 8 CE MET A 1 10.611 -2.141 -1.049 1.00 16.11 C ATOM 0 H1 MET A 1 12.460 -6.390 -4.993 1.00 9.67 H new ATOM 0 H2 MET A 1 11.189 -7.514 -5.052 1.00 9.67 H new ATOM 0 H3 MET A 1 10.855 -5.865 -4.821 1.00 9.67 H new ATOM 0 HA MET A 1 12.366 -7.596 -2.989 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.107 -5.848 -1.290 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.195 -5.453 -2.605 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.362 -4.085 -3.639 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.378 -4.406 -2.225 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.728 -1.078 -0.840 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.810 -2.282 -1.775 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.362 -2.667 -0.127 1.00 16.11 H new ATOM 20 N GLN A 2 10.232 -7.981 -1.515 1.00 9.27 N ATOM 21 CA GLN A 2 9.021 -8.481 -0.993 1.00 9.07 C ATOM 22 C GLN A 2 8.463 -7.661 0.144 1.00 8.72 C ATOM 23 O GLN A 2 9.161 -7.190 1.032 1.00 8.22 O ATOM 24 CB GLN A 2 9.268 -9.891 -0.500 1.00 14.46 C ATOM 25 CG GLN A 2 8.001 -10.564 0.034 1.00 17.01 C ATOM 26 CD GLN A 2 8.191 -12.080 0.225 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.702 -12.930 -0.489 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.075 -12.363 1.237 1.00 19.49 N ATOM 0 H GLN A 2 11.068 -8.248 -0.996 1.00 9.27 H new ATOM 0 HA GLN A 2 8.284 -8.443 -1.795 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.676 -10.489 -1.315 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.021 -9.869 0.287 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.723 -10.111 0.985 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.177 -10.386 -0.657 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.456 -11.608 1.807 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.351 -13.328 1.418 1.00 19.49 H new ATOM 37 N ILE A 3 7.170 -7.351 0.076 1.00 5.87 N ATOM 38 CA ILE A 3 6.516 -6.680 1.179 1.00 5.07 C ATOM 39 C ILE A 3 5.273 -7.486 1.563 1.00 4.01 C ATOM 40 O ILE A 3 4.819 -8.325 0.781 1.00 4.61 O ATOM 41 CB ILE A 3 6.140 -5.189 0.983 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.287 -4.970 -0.297 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.440 -4.383 0.909 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.870 -3.540 -0.473 1.00 10.83 C ATOM 0 H ILE A 3 6.568 -7.553 -0.722 1.00 5.87 H new ATOM 0 HA ILE A 3 7.264 -6.645 1.971 1.00 5.07 H new ATOM 0 HB ILE A 3 5.529 -4.857 1.823 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.858 -5.288 -1.169 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.399 -5.601 -0.250 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.206 -3.327 0.771 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.001 -4.512 1.834 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.039 -4.735 0.069 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.277 -3.443 -1.382 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.274 -3.227 0.384 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.756 -2.909 -0.549 1.00 10.83 H new ATOM 56 N PHE A 4 4.769 -7.330 2.794 1.00 4.55 N ATOM 57 CA PHE A 4 3.565 -7.970 3.229 1.00 4.68 C ATOM 58 C PHE A 4 2.582 -6.894 3.570 1.00 5.30 C ATOM 59 O PHE A 4 2.938 -5.982 4.305 1.00 5.58 O ATOM 60 CB PHE A 4 3.741 -8.819 4.514 1.00 4.83 C ATOM 61 CG PHE A 4 4.712 -9.926 4.174 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.265 -11.085 3.579 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.104 -9.776 4.384 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.122 -12.117 3.179 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.985 -10.803 4.002 1.00 10.61 C ATOM 66 CZ PHE A 4 6.473 -11.966 3.386 1.00 8.90 C ATOM 0 H PHE A 4 5.205 -6.746 3.507 1.00 4.55 H new ATOM 0 HA PHE A 4 3.246 -8.632 2.424 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.122 -8.208 5.332 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.785 -9.229 4.841 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.204 -11.203 3.413 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.489 -8.874 4.837 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.731 -13.012 2.718 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.046 -10.703 4.178 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.151 -12.747 3.074 1.00 8.90 H new ATOM 76 N VAL A 5 1.253 -7.052 3.204 1.00 4.44 N ATOM 77 CA VAL A 5 0.241 -6.049 3.368 1.00 3.87 C ATOM 78 C VAL A 5 -0.807 -6.746 4.200 1.00 4.93 C ATOM 79 O VAL A 5 -1.289 -7.829 3.862 1.00 6.84 O ATOM 80 CB VAL A 5 -0.438 -5.552 2.016 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.617 -4.595 2.442 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.565 -4.667 1.239 1.00 9.13 C ATOM 0 H VAL A 5 0.899 -7.912 2.784 1.00 4.44 H new ATOM 0 HA VAL A 5 0.680 -5.151 3.803 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.758 -6.401 1.412 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.122 -4.221 1.551 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.328 -5.145 3.058 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.217 -3.756 3.011 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.105 -4.324 0.312 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.839 -3.806 1.849 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.459 -5.247 1.008 1.00 9.13 H new ATOM 92 N LYS A 6 -1.217 -6.170 5.358 1.00 6.04 N ATOM 93 CA LYS A 6 -2.248 -6.582 6.240 1.00 6.12 C ATOM 94 C LYS A 6 -3.450 -5.673 5.969 1.00 6.57 C ATOM 95 O LYS A 6 -3.452 -4.438 6.092 1.00 5.76 O ATOM 96 CB LYS A 6 -1.761 -6.368 7.693 1.00 7.45 C ATOM 97 CG LYS A 6 -0.502 -7.172 8.078 1.00 11.12 C ATOM 98 CD LYS A 6 -0.799 -8.634 8.556 1.00 14.54 C ATOM 99 CE LYS A 6 -0.217 -8.878 9.932 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.658 -10.139 10.484 1.00 20.55 N ATOM 0 H LYS A 6 -0.764 -5.322 5.698 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.511 -7.630 6.096 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.557 -5.307 7.840 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.568 -6.635 8.375 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.168 -7.211 7.219 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.026 -6.642 8.871 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.876 -8.803 8.576 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.378 -9.346 7.846 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.871 -8.867 9.874 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.509 -8.067 10.599 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.239 -10.271 11.427 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.695 -10.140 10.563 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.358 -10.915 9.860 1.00 20.55 H new ATOM 114 N THR A 7 -4.588 -6.336 5.665 1.00 7.41 N ATOM 115 CA THR A 7 -5.914 -5.735 5.555 1.00 7.48 C ATOM 116 C THR A 7 -6.511 -5.407 6.910 1.00 8.75 C ATOM 117 O THR A 7 -6.008 -5.813 7.954 1.00 8.58 O ATOM 118 CB THR A 7 -6.820 -6.523 4.651 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.234 -7.751 5.168 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.089 -6.781 3.282 1.00 9.17 C ATOM 0 H THR A 7 -4.597 -7.340 5.485 1.00 7.41 H new ATOM 0 HA THR A 7 -5.796 -4.770 5.062 1.00 7.48 H new ATOM 0 HB THR A 7 -7.718 -5.917 4.532 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.940 -8.124 4.599 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.742 -7.352 2.623 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.846 -5.827 2.814 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.172 -7.342 3.459 1.00 9.17 H new ATOM 128 N LEU A 8 -7.711 -4.814 6.880 1.00 9.84 N ATOM 129 CA LEU A 8 -8.427 -4.544 8.136 1.00 14.15 C ATOM 130 C LEU A 8 -8.837 -5.709 9.006 1.00 17.37 C ATOM 131 O LEU A 8 -8.842 -5.565 10.218 1.00 17.01 O ATOM 132 CB LEU A 8 -9.773 -3.908 7.714 1.00 16.63 C ATOM 133 CG LEU A 8 -9.589 -2.398 7.210 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.781 -1.801 6.474 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.263 -1.437 8.403 1.00 18.59 C ATOM 0 H LEU A 8 -8.195 -4.520 6.032 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.723 -3.959 8.728 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.223 -4.504 6.919 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.464 -3.928 8.557 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.765 -2.474 6.501 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.550 -0.778 6.178 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.996 -2.396 5.587 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.651 -1.801 7.130 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.144 -0.420 8.029 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.078 -1.465 9.126 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.339 -1.757 8.886 1.00 18.59 H new ATOM 147 N THR A 9 -9.011 -6.911 8.361 1.00 18.33 N ATOM 148 CA THR A 9 -9.517 -8.123 8.962 1.00 19.24 C ATOM 149 C THR A 9 -8.440 -9.179 9.238 1.00 19.48 C ATOM 150 O THR A 9 -8.748 -10.289 9.566 1.00 23.14 O ATOM 151 CB THR A 9 -10.659 -8.796 8.246 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.372 -9.347 6.923 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.833 -7.812 8.097 1.00 19.70 C ATOM 0 H THR A 9 -8.784 -7.030 7.374 1.00 18.33 H new ATOM 0 HA THR A 9 -9.906 -7.732 9.902 1.00 19.24 H new ATOM 0 HB THR A 9 -10.890 -9.651 8.881 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.183 -9.759 6.557 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.656 -8.304 7.579 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.166 -7.491 9.084 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.509 -6.944 7.523 1.00 19.70 H new ATOM 161 N GLY A 10 -7.142 -8.754 9.063 1.00 19.43 N ATOM 162 CA GLY A 10 -5.994 -9.637 9.365 1.00 18.74 C ATOM 163 C GLY A 10 -5.696 -10.638 8.237 1.00 17.62 C ATOM 164 O GLY A 10 -5.055 -11.660 8.463 1.00 19.74 O ATOM 0 H GLY A 10 -6.885 -7.827 8.723 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.109 -9.026 9.545 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.196 -10.184 10.286 1.00 18.74 H new ATOM 168 N LYS A 11 -6.215 -10.447 6.981 1.00 13.56 N ATOM 169 CA LYS A 11 -5.765 -11.216 5.856 1.00 11.91 C ATOM 170 C LYS A 11 -4.373 -10.674 5.373 1.00 10.18 C ATOM 171 O LYS A 11 -4.107 -9.489 5.375 1.00 9.10 O ATOM 172 CB LYS A 11 -6.847 -11.174 4.766 1.00 13.43 C ATOM 173 CG LYS A 11 -6.442 -11.936 3.453 1.00 16.69 C ATOM 174 CD LYS A 11 -7.462 -11.675 2.384 1.00 17.92 C ATOM 175 CE LYS A 11 -7.190 -12.537 1.178 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.079 -12.210 0.074 1.00 21.93 N ATOM 0 H LYS A 11 -6.939 -9.763 6.762 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.614 -12.262 6.124 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.766 -11.608 5.160 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.065 -10.134 4.521 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.458 -11.607 3.119 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.371 -13.006 3.649 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.461 -11.880 2.768 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.439 -10.623 2.100 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.155 -12.407 0.863 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.312 -13.587 1.445 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.702 -12.614 -0.807 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.023 -12.605 0.260 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.149 -11.177 -0.021 1.00 21.93 H new ATOM 190 N THR A 12 -3.412 -11.526 4.915 1.00 9.63 N ATOM 191 CA THR A 12 -2.053 -11.157 4.510 1.00 9.85 C ATOM 192 C THR A 12 -1.995 -11.304 3.044 1.00 11.66 C ATOM 193 O THR A 12 -2.232 -12.329 2.471 1.00 12.33 O ATOM 194 CB THR A 12 -0.928 -12.046 5.114 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.198 -12.331 6.477 1.00 10.91 O ATOM 196 CG2 THR A 12 0.507 -11.380 5.050 1.00 9.63 C ATOM 0 H THR A 12 -3.586 -12.527 4.820 1.00 9.63 H new ATOM 0 HA THR A 12 -1.872 -10.145 4.872 1.00 9.85 H new ATOM 0 HB THR A 12 -0.920 -12.950 4.506 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.482 -12.892 6.842 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.242 -12.056 5.488 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.770 -11.182 4.011 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.498 -10.443 5.607 1.00 9.63 H new ATOM 204 N ILE A 13 -1.517 -10.271 2.390 1.00 10.42 N ATOM 205 CA ILE A 13 -1.148 -10.149 1.010 1.00 11.84 C ATOM 206 C ILE A 13 0.343 -10.078 0.918 1.00 10.55 C ATOM 207 O ILE A 13 0.994 -9.500 1.772 1.00 11.92 O ATOM 208 CB ILE A 13 -1.868 -9.014 0.370 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.278 -8.741 0.916 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.823 -8.995 -1.172 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.222 -9.825 0.406 1.00 16.46 C ATOM 0 H ILE A 13 -1.361 -9.390 2.881 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.457 -11.025 0.440 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.266 -8.163 0.689 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.266 -8.734 2.006 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.623 -7.758 0.595 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.375 -8.131 -1.542 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.787 -8.933 -1.505 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.275 -9.908 -1.560 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.227 -9.642 0.787 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.239 -9.809 -0.684 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.876 -10.800 0.749 1.00 16.46 H new ATOM 223 N THR A 14 0.885 -10.672 -0.050 1.00 9.39 N ATOM 224 CA THR A 14 2.350 -10.662 -0.305 1.00 9.63 C ATOM 225 C THR A 14 2.453 -10.040 -1.706 1.00 11.20 C ATOM 226 O THR A 14 1.713 -10.440 -2.633 1.00 11.63 O ATOM 227 CB THR A 14 3.068 -12.048 -0.471 1.00 10.38 C ATOM 228 OG1 THR A 14 2.727 -12.875 0.647 1.00 16.30 O ATOM 229 CG2 THR A 14 4.593 -11.897 -0.476 1.00 11.66 C ATOM 0 H THR A 14 0.356 -11.209 -0.738 1.00 9.39 H new ATOM 0 HA THR A 14 2.816 -10.172 0.550 1.00 9.63 H new ATOM 0 HB THR A 14 2.747 -12.481 -1.418 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.306 -12.654 1.406 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.055 -12.877 -0.593 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.892 -11.254 -1.304 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.918 -11.452 0.465 1.00 11.66 H new ATOM 237 N LEU A 15 3.281 -9.031 -1.900 1.00 8.29 N ATOM 238 CA LEU A 15 3.585 -8.339 -3.170 1.00 9.03 C ATOM 239 C LEU A 15 5.108 -8.368 -3.510 1.00 8.59 C ATOM 240 O LEU A 15 5.947 -7.978 -2.696 1.00 7.79 O ATOM 241 CB LEU A 15 3.186 -6.898 -3.064 1.00 11.08 C ATOM 242 CG LEU A 15 1.763 -6.552 -2.673 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.526 -5.073 -2.709 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.723 -7.228 -3.577 1.00 15.27 C ATOM 0 H LEU A 15 3.807 -8.632 -1.123 1.00 8.29 H new ATOM 0 HA LEU A 15 3.032 -8.860 -3.952 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.849 -6.426 -2.339 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.384 -6.431 -4.029 1.00 11.08 H new ATOM 0 HG LEU A 15 1.643 -6.924 -1.656 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.495 -4.863 -2.423 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.204 -4.579 -2.013 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.706 -4.700 -3.717 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.279 -6.946 -3.253 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.874 -6.908 -4.608 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.834 -8.310 -3.513 1.00 15.27 H new ATOM 256 N GLU A 16 5.490 -8.762 -4.722 1.00 11.04 N ATOM 257 CA GLU A 16 6.859 -8.534 -5.169 1.00 11.50 C ATOM 258 C GLU A 16 6.993 -7.205 -5.883 1.00 10.13 C ATOM 259 O GLU A 16 6.394 -6.997 -6.974 1.00 9.83 O ATOM 260 CB GLU A 16 7.351 -9.663 -6.082 1.00 17.22 C ATOM 261 CG GLU A 16 8.813 -9.574 -6.486 1.00 23.33 C ATOM 262 CD GLU A 16 9.713 -9.904 -5.319 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.485 -10.985 -4.705 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.647 -9.142 -4.984 1.00 28.90 O ATOM 0 H GLU A 16 4.886 -9.230 -5.398 1.00 11.04 H new ATOM 0 HA GLU A 16 7.482 -8.516 -4.275 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.187 -10.615 -5.577 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.740 -9.671 -6.985 1.00 17.22 H new ATOM 0 HG2 GLU A 16 9.010 -10.261 -7.309 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.034 -8.570 -6.849 1.00 23.33 H new ATOM 271 N VAL A 17 7.720 -6.203 -5.354 1.00 8.99 N ATOM 272 CA VAL A 17 7.695 -4.792 -5.794 1.00 8.85 C ATOM 273 C VAL A 17 9.062 -4.253 -6.090 1.00 8.04 C ATOM 274 O VAL A 17 10.004 -4.695 -5.493 1.00 8.99 O ATOM 275 CB VAL A 17 6.965 -3.872 -4.733 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.494 -4.258 -4.661 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.668 -3.843 -3.378 1.00 10.54 C ATOM 0 H VAL A 17 8.365 -6.358 -4.580 1.00 8.99 H new ATOM 0 HA VAL A 17 7.130 -4.775 -6.726 1.00 8.85 H new ATOM 0 HB VAL A 17 7.021 -2.836 -5.069 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.987 -3.627 -3.931 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.034 -4.122 -5.640 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.406 -5.302 -4.361 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.117 -3.195 -2.696 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.708 -4.852 -2.967 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.682 -3.462 -3.502 1.00 10.54 H new ATOM 287 N GLU A 18 9.269 -3.301 -7.014 1.00 7.29 N ATOM 288 CA GLU A 18 10.536 -2.576 -7.187 1.00 7.08 C ATOM 289 C GLU A 18 10.517 -1.412 -6.315 1.00 6.45 C ATOM 290 O GLU A 18 9.374 -1.040 -5.983 1.00 5.28 O ATOM 291 CB GLU A 18 10.845 -2.192 -8.663 1.00 10.28 C ATOM 292 CG GLU A 18 11.284 -3.366 -9.544 1.00 12.65 C ATOM 293 CD GLU A 18 11.692 -2.866 -10.864 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.794 -2.314 -11.571 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.914 -3.033 -11.162 1.00 14.33 O ATOM 0 H GLU A 18 8.547 -3.009 -7.673 1.00 7.29 H new ATOM 0 HA GLU A 18 11.351 -3.244 -6.908 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.956 -1.737 -9.101 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.628 -1.434 -8.672 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.111 -3.897 -9.074 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.467 -4.079 -9.651 1.00 12.65 H new ATOM 302 N PRO A 19 11.608 -0.747 -5.939 1.00 7.24 N ATOM 303 CA PRO A 19 11.536 0.390 -4.964 1.00 7.07 C ATOM 304 C PRO A 19 11.240 1.645 -5.642 1.00 6.65 C ATOM 305 O PRO A 19 10.901 2.613 -4.968 1.00 6.37 O ATOM 306 CB PRO A 19 12.960 0.343 -4.402 1.00 7.61 C ATOM 307 CG PRO A 19 13.863 -0.368 -5.416 1.00 8.16 C ATOM 308 CD PRO A 19 12.884 -1.387 -5.969 1.00 7.49 C ATOM 0 HA PRO A 19 10.754 0.317 -4.208 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.325 1.352 -4.213 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.973 -0.185 -3.448 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.240 0.307 -6.184 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.730 -0.834 -4.948 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.153 -1.678 -6.984 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.881 -2.295 -5.367 1.00 7.49 H new ATOM 316 N SER A 20 11.403 1.751 -6.979 1.00 6.80 N ATOM 317 CA SER A 20 11.197 3.036 -7.727 1.00 6.28 C ATOM 318 C SER A 20 9.831 2.997 -8.328 1.00 8.45 C ATOM 319 O SER A 20 9.472 3.760 -9.203 1.00 7.26 O ATOM 320 CB SER A 20 12.276 3.298 -8.875 1.00 8.57 C ATOM 321 OG SER A 20 13.644 3.011 -8.470 1.00 11.13 O ATOM 0 H SER A 20 11.677 0.968 -7.573 1.00 6.80 H new ATOM 0 HA SER A 20 11.313 3.855 -7.017 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.027 2.685 -9.742 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.211 4.339 -9.191 1.00 8.57 H new ATOM 0 HG SER A 20 14.251 3.191 -9.218 1.00 11.13 H new ATOM 327 N ASP A 21 8.981 2.164 -7.781 1.00 7.50 N ATOM 328 CA ASP A 21 7.573 2.090 -8.128 1.00 7.70 C ATOM 329 C ASP A 21 6.828 3.041 -7.277 1.00 7.08 C ATOM 330 O ASP A 21 7.220 3.315 -6.124 1.00 8.11 O ATOM 331 CB ASP A 21 7.109 0.647 -7.884 1.00 11.00 C ATOM 332 CG ASP A 21 7.553 -0.335 -8.986 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.186 0.055 -10.017 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.108 -1.544 -8.847 1.00 14.36 O ATOM 0 H ASP A 21 9.252 1.496 -7.059 1.00 7.50 H new ATOM 0 HA ASP A 21 7.398 2.353 -9.171 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.499 0.305 -6.925 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.022 0.631 -7.810 1.00 11.00 H new ATOM 339 N THR A 22 5.781 3.708 -7.791 1.00 5.37 N ATOM 340 CA THR A 22 5.080 4.588 -6.816 1.00 6.01 C ATOM 341 C THR A 22 4.048 3.915 -5.979 1.00 8.01 C ATOM 342 O THR A 22 3.603 2.802 -6.107 1.00 8.11 O ATOM 343 CB THR A 22 4.347 5.736 -7.560 1.00 8.92 C ATOM 344 OG1 THR A 22 3.450 5.174 -8.458 1.00 10.22 O ATOM 345 CG2 THR A 22 5.241 6.681 -8.337 1.00 9.65 C ATOM 0 H THR A 22 5.427 3.676 -8.747 1.00 5.37 H new ATOM 0 HA THR A 22 5.877 4.936 -6.159 1.00 6.01 H new ATOM 0 HB THR A 22 3.871 6.332 -6.781 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.976 5.886 -8.936 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.631 7.445 -8.819 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.947 7.156 -7.656 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.789 6.122 -9.096 1.00 9.65 H new ATOM 353 N ILE A 23 3.594 4.569 -4.911 1.00 8.32 N ATOM 354 CA ILE A 23 2.537 4.151 -4.048 1.00 9.92 C ATOM 355 C ILE A 23 1.231 3.899 -4.823 1.00 10.01 C ATOM 356 O ILE A 23 0.488 3.020 -4.423 1.00 8.71 O ATOM 357 CB ILE A 23 2.319 5.099 -2.823 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.696 5.291 -2.061 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.225 4.655 -1.848 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.310 3.930 -1.646 1.00 12.30 C ATOM 0 H ILE A 23 3.994 5.462 -4.623 1.00 8.32 H new ATOM 0 HA ILE A 23 2.857 3.198 -3.627 1.00 9.92 H new ATOM 0 HB ILE A 23 1.961 6.044 -3.231 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.396 5.827 -2.702 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.540 5.906 -1.175 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.149 5.375 -1.034 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.271 4.599 -2.373 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.475 3.674 -1.443 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.253 4.100 -1.126 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.620 3.406 -0.984 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.489 3.326 -2.535 1.00 12.30 H new ATOM 372 N GLU A 24 0.938 4.729 -5.865 1.00 9.54 N ATOM 373 CA GLU A 24 -0.128 4.391 -6.797 1.00 11.81 C ATOM 374 C GLU A 24 0.024 3.074 -7.523 1.00 11.14 C ATOM 375 O GLU A 24 -0.961 2.340 -7.590 1.00 10.62 O ATOM 376 CB GLU A 24 -0.337 5.616 -7.771 1.00 19.24 C ATOM 377 CG GLU A 24 -1.604 5.540 -8.597 1.00 27.76 C ATOM 378 CD GLU A 24 -1.835 6.663 -9.572 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.824 7.343 -9.836 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.974 6.857 -10.047 1.00 36.51 O ATOM 0 H GLU A 24 1.420 5.606 -6.060 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.029 4.215 -6.209 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.353 6.534 -7.184 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.519 5.682 -8.443 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.594 4.602 -9.152 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.454 5.498 -7.916 1.00 27.76 H new ATOM 387 N ASN A 25 1.238 2.665 -7.980 1.00 9.43 N ATOM 388 CA ASN A 25 1.384 1.335 -8.483 1.00 10.96 C ATOM 389 C ASN A 25 1.116 0.303 -7.349 1.00 9.68 C ATOM 390 O ASN A 25 0.564 -0.756 -7.682 1.00 9.33 O ATOM 391 CB ASN A 25 2.849 0.978 -8.969 1.00 16.78 C ATOM 392 CG ASN A 25 3.438 1.809 -10.123 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.594 2.110 -10.131 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.563 2.174 -11.089 1.00 24.70 N ATOM 0 H ASN A 25 2.082 3.237 -7.998 1.00 9.43 H new ATOM 0 HA ASN A 25 0.683 1.290 -9.317 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.518 1.069 -8.114 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.857 -0.069 -9.271 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.880 2.737 -11.878 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.586 1.886 -11.028 1.00 24.70 H new ATOM 401 N VAL A 26 1.438 0.505 -6.072 1.00 6.52 N ATOM 402 CA VAL A 26 1.184 -0.410 -4.997 1.00 5.53 C ATOM 403 C VAL A 26 -0.340 -0.503 -4.787 1.00 4.42 C ATOM 404 O VAL A 26 -0.909 -1.576 -4.629 1.00 3.40 O ATOM 405 CB VAL A 26 1.935 -0.048 -3.738 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.792 -1.122 -2.635 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.423 0.181 -3.980 1.00 8.12 C ATOM 0 H VAL A 26 1.905 1.357 -5.760 1.00 6.52 H new ATOM 0 HA VAL A 26 1.563 -1.397 -5.263 1.00 5.53 H new ATOM 0 HB VAL A 26 1.476 0.884 -3.406 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.351 -0.813 -1.752 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.740 -1.240 -2.376 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.185 -2.072 -2.999 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.909 0.438 -3.039 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.870 -0.728 -4.383 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.555 0.997 -4.691 1.00 8.12 H new ATOM 417 N LYS A 27 -1.060 0.640 -4.808 1.00 2.64 N ATOM 418 CA LYS A 27 -2.506 0.723 -4.776 1.00 4.14 C ATOM 419 C LYS A 27 -3.117 0.015 -5.962 1.00 5.58 C ATOM 420 O LYS A 27 -4.111 -0.678 -5.817 1.00 4.11 O ATOM 421 CB LYS A 27 -3.133 2.126 -4.703 1.00 3.97 C ATOM 422 CG LYS A 27 -2.757 2.830 -3.432 1.00 7.45 C ATOM 423 CD LYS A 27 -3.537 4.112 -3.113 1.00 9.02 C ATOM 424 CE LYS A 27 -3.042 4.867 -1.979 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.910 6.036 -1.743 1.00 15.47 N ATOM 0 H LYS A 27 -0.616 1.557 -4.849 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.738 0.241 -3.826 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.806 2.717 -5.558 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.218 2.045 -4.768 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.887 2.134 -2.603 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.696 3.076 -3.477 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.523 4.756 -3.992 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.578 3.849 -2.928 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.018 4.235 -1.091 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.019 5.193 -2.166 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.497 6.630 -0.996 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.993 6.590 -2.620 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.853 5.714 -1.447 1.00 15.47 H new ATOM 439 N ALA A 28 -2.487 0.043 -7.132 1.00 6.61 N ATOM 440 CA ALA A 28 -3.038 -0.601 -8.317 1.00 7.74 C ATOM 441 C ALA A 28 -2.902 -2.068 -8.277 1.00 9.17 C ATOM 442 O ALA A 28 -3.813 -2.800 -8.639 1.00 11.45 O ATOM 443 CB ALA A 28 -2.431 -0.019 -9.578 1.00 7.68 C ATOM 0 H ALA A 28 -1.591 0.507 -7.284 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.108 -0.393 -8.327 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.858 -0.515 -10.450 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.647 1.048 -9.626 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.352 -0.171 -9.566 1.00 7.68 H new ATOM 449 N LYS A 29 -1.756 -2.542 -7.640 1.00 8.96 N ATOM 450 CA LYS A 29 -1.439 -3.916 -7.299 1.00 7.90 C ATOM 451 C LYS A 29 -2.361 -4.491 -6.333 1.00 6.92 C ATOM 452 O LYS A 29 -2.748 -5.661 -6.513 1.00 6.87 O ATOM 453 CB LYS A 29 0.055 -4.047 -6.761 1.00 10.28 C ATOM 454 CG LYS A 29 0.438 -5.468 -6.907 1.00 14.94 C ATOM 455 CD LYS A 29 1.985 -5.563 -6.745 1.00 19.69 C ATOM 456 CE LYS A 29 2.512 -7.008 -6.955 1.00 22.63 C ATOM 457 NZ LYS A 29 2.580 -7.333 -8.373 1.00 24.98 N ATOM 0 H LYS A 29 -1.014 -1.903 -7.353 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.542 -4.482 -8.225 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.728 -3.405 -7.329 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.120 -3.734 -5.719 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.063 -6.078 -6.155 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.132 -5.848 -7.882 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.465 -4.896 -7.461 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.266 -5.217 -5.750 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.500 -7.108 -6.507 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.858 -7.716 -6.446 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.935 -8.304 -8.490 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.631 -7.258 -8.792 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.223 -6.669 -8.851 1.00 24.98 H new ATOM 471 N ILE A 30 -2.921 -3.732 -5.398 1.00 4.57 N ATOM 472 CA ILE A 30 -3.963 -4.190 -4.490 1.00 5.58 C ATOM 473 C ILE A 30 -5.310 -4.239 -5.183 1.00 7.26 C ATOM 474 O ILE A 30 -6.192 -5.031 -4.740 1.00 9.46 O ATOM 475 CB ILE A 30 -3.893 -3.375 -3.184 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.705 -3.797 -2.372 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.190 -3.449 -2.285 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.773 -5.199 -1.652 1.00 2.00 C ATOM 0 H ILE A 30 -2.656 -2.759 -5.248 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.800 -5.226 -4.192 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.803 -2.337 -3.503 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.834 -3.798 -3.027 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.531 -3.036 -1.611 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.047 -2.845 -1.389 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.044 -3.069 -2.846 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.376 -4.484 -1.999 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.847 -5.371 -1.103 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.614 -5.211 -0.958 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.905 -5.984 -2.396 1.00 2.00 H new ATOM 490 N GLN A 31 -5.513 -3.596 -6.305 1.00 7.06 N ATOM 491 CA GLN A 31 -6.714 -3.692 -7.124 1.00 8.67 C ATOM 492 C GLN A 31 -6.856 -5.126 -7.688 1.00 10.90 C ATOM 493 O GLN A 31 -7.847 -5.854 -7.527 1.00 9.63 O ATOM 494 CB GLN A 31 -6.898 -2.658 -8.248 1.00 9.12 C ATOM 495 CG GLN A 31 -8.323 -2.796 -8.848 1.00 10.76 C ATOM 496 CD GLN A 31 -8.649 -1.854 -10.012 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.470 -0.949 -9.837 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.018 -1.984 -11.209 1.00 14.76 N ATOM 0 H GLN A 31 -4.819 -2.960 -6.698 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.515 -3.445 -6.427 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.752 -1.651 -7.858 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.148 -2.811 -9.024 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.456 -3.823 -9.188 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.050 -2.627 -8.053 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.340 -2.733 -11.350 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.222 -1.332 -11.967 1.00 14.76 H new ATOM 507 N ASP A 32 -5.738 -5.585 -8.276 1.00 10.93 N ATOM 508 CA ASP A 32 -5.579 -6.970 -8.726 1.00 14.01 C ATOM 509 C ASP A 32 -5.788 -8.084 -7.631 1.00 14.04 C ATOM 510 O ASP A 32 -6.372 -9.089 -7.833 1.00 13.39 O ATOM 511 CB ASP A 32 -4.294 -7.193 -9.504 1.00 18.01 C ATOM 512 CG ASP A 32 -4.111 -6.070 -10.459 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.934 -5.969 -11.450 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.213 -5.185 -10.257 1.00 26.29 O ATOM 0 H ASP A 32 -4.920 -5.001 -8.451 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.420 -7.098 -9.407 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.445 -7.251 -8.822 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.337 -8.141 -10.040 1.00 18.01 H new ATOM 519 N LYS A 33 -5.214 -7.884 -6.422 1.00 14.22 N ATOM 520 CA LYS A 33 -5.318 -8.736 -5.246 1.00 14.00 C ATOM 521 C LYS A 33 -6.672 -8.784 -4.617 1.00 12.37 C ATOM 522 O LYS A 33 -7.292 -9.761 -4.308 1.00 12.17 O ATOM 523 CB LYS A 33 -4.285 -8.301 -4.208 1.00 18.62 C ATOM 524 CG LYS A 33 -2.885 -8.523 -4.720 1.00 24.00 C ATOM 525 CD LYS A 33 -2.411 -9.945 -5.110 1.00 27.61 C ATOM 526 CE LYS A 33 -0.905 -10.227 -5.286 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.623 -11.678 -5.338 1.00 30.06 N ATOM 0 H LYS A 33 -4.631 -7.066 -6.245 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.126 -9.749 -5.600 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.426 -7.247 -3.967 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.432 -8.861 -3.285 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.758 -7.889 -5.597 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.200 -8.153 -3.957 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.784 -10.632 -4.351 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.903 -10.207 -6.047 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.551 -9.754 -6.202 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.352 -9.778 -4.461 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.399 -11.829 -5.457 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.938 -12.125 -4.453 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.131 -12.102 -6.140 1.00 30.06 H new ATOM 541 N GLU A 34 -7.331 -7.644 -4.351 1.00 10.11 N ATOM 542 CA GLU A 34 -8.467 -7.548 -3.403 1.00 10.07 C ATOM 543 C GLU A 34 -9.682 -6.884 -3.966 1.00 9.32 C ATOM 544 O GLU A 34 -10.680 -6.781 -3.288 1.00 11.61 O ATOM 545 CB GLU A 34 -7.990 -6.698 -2.179 1.00 14.77 C ATOM 546 CG GLU A 34 -7.270 -7.602 -1.160 1.00 18.75 C ATOM 547 CD GLU A 34 -8.286 -8.543 -0.520 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.104 -8.050 0.269 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.253 -9.738 -0.884 1.00 21.95 O ATOM 0 H GLU A 34 -7.093 -6.754 -4.788 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.752 -8.568 -3.145 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.319 -5.907 -2.514 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.844 -6.213 -1.707 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.486 -8.176 -1.655 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.786 -6.995 -0.395 1.00 18.75 H new ATOM 556 N GLY A 35 -9.681 -6.388 -5.166 1.00 7.22 N ATOM 557 CA GLY A 35 -10.849 -5.911 -5.894 1.00 6.29 C ATOM 558 C GLY A 35 -11.199 -4.509 -5.520 1.00 6.93 C ATOM 559 O GLY A 35 -12.354 -4.130 -5.320 1.00 7.41 O ATOM 0 H GLY A 35 -8.821 -6.294 -5.707 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.657 -5.964 -6.966 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.697 -6.565 -5.690 1.00 6.29 H new ATOM 563 N ILE A 36 -10.187 -3.732 -5.239 1.00 5.86 N ATOM 564 CA ILE A 36 -10.480 -2.418 -4.618 1.00 6.07 C ATOM 565 C ILE A 36 -9.823 -1.287 -5.410 1.00 6.36 C ATOM 566 O ILE A 36 -8.603 -1.346 -5.613 1.00 6.18 O ATOM 567 CB ILE A 36 -9.920 -2.225 -3.158 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.254 -3.446 -2.262 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.488 -0.939 -2.596 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.557 -3.307 -0.936 1.00 9.49 C ATOM 0 H ILE A 36 -9.203 -3.944 -5.407 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.570 -2.391 -4.607 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.833 -2.156 -3.184 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.331 -3.515 -2.112 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.941 -4.367 -2.754 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.112 -0.787 -1.584 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.186 -0.102 -3.225 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.576 -1.001 -2.573 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.794 -4.166 -0.309 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.480 -3.259 -1.095 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.892 -2.395 -0.443 1.00 9.49 H new ATOM 582 N PRO A 37 -10.463 -0.281 -5.962 1.00 8.65 N ATOM 583 CA PRO A 37 -9.778 0.797 -6.686 1.00 9.18 C ATOM 584 C PRO A 37 -8.782 1.592 -5.903 1.00 9.85 C ATOM 585 O PRO A 37 -9.037 1.735 -4.717 1.00 8.51 O ATOM 586 CB PRO A 37 -10.944 1.716 -7.169 1.00 11.42 C ATOM 587 CG PRO A 37 -12.157 0.837 -7.251 1.00 9.27 C ATOM 588 CD PRO A 37 -11.926 -0.185 -6.131 1.00 8.33 C ATOM 0 HA PRO A 37 -9.165 0.365 -7.477 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.105 2.540 -6.473 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.716 2.158 -8.139 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.076 1.403 -7.096 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.240 0.355 -8.225 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.405 0.135 -5.206 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.353 -1.153 -6.392 1.00 8.33 H new ATOM 596 N PRO A 38 -7.693 2.115 -6.427 1.00 8.71 N ATOM 597 CA PRO A 38 -6.858 3.043 -5.708 1.00 9.08 C ATOM 598 C PRO A 38 -7.444 4.158 -4.847 1.00 9.28 C ATOM 599 O PRO A 38 -6.903 4.436 -3.785 1.00 6.50 O ATOM 600 CB PRO A 38 -5.870 3.560 -6.715 1.00 10.31 C ATOM 601 CG PRO A 38 -5.723 2.301 -7.654 1.00 10.81 C ATOM 602 CD PRO A 38 -7.100 1.673 -7.708 1.00 12.00 C ATOM 0 HA PRO A 38 -6.443 2.459 -4.887 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.243 4.434 -7.250 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.924 3.847 -6.257 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.385 2.591 -8.649 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.987 1.600 -7.259 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.674 2.024 -8.565 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.050 0.587 -7.781 1.00 12.00 H new ATOM 610 N ASP A 39 -8.573 4.671 -5.391 1.00 11.20 N ATOM 611 CA ASP A 39 -9.328 5.745 -4.851 1.00 14.96 C ATOM 612 C ASP A 39 -10.232 5.298 -3.705 1.00 13.99 C ATOM 613 O ASP A 39 -10.700 6.106 -2.947 1.00 13.75 O ATOM 614 CB ASP A 39 -10.231 6.543 -5.929 1.00 24.16 C ATOM 615 CG ASP A 39 -9.433 7.359 -6.831 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.802 8.348 -6.335 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.440 7.118 -8.066 1.00 35.55 O ATOM 0 H ASP A 39 -8.971 4.307 -6.257 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.564 6.431 -4.485 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.813 5.828 -6.510 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.942 7.179 -5.402 1.00 24.16 H new ATOM 622 N GLN A 40 -10.330 3.962 -3.486 1.00 11.60 N ATOM 623 CA GLN A 40 -11.019 3.453 -2.309 1.00 10.76 C ATOM 624 C GLN A 40 -9.962 2.770 -1.485 1.00 8.01 C ATOM 625 O GLN A 40 -10.302 1.944 -0.633 1.00 8.96 O ATOM 626 CB GLN A 40 -12.259 2.552 -2.617 1.00 11.14 C ATOM 627 CG GLN A 40 -13.388 3.308 -3.148 1.00 14.85 C ATOM 628 CD GLN A 40 -14.599 2.451 -3.220 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.263 2.182 -4.231 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.032 2.069 -1.974 1.00 18.16 N ATOM 0 H GLN A 40 -9.945 3.246 -4.102 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.480 4.273 -1.758 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.974 1.782 -3.334 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.567 2.041 -1.705 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.584 4.173 -2.515 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.145 3.688 -4.140 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.477 2.296 -1.149 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.909 1.558 -1.873 1.00 18.16 H new ATOM 639 N GLN A 41 -8.631 3.136 -1.634 1.00 6.52 N ATOM 640 CA GLN A 41 -7.556 2.737 -0.703 1.00 3.87 C ATOM 641 C GLN A 41 -6.771 3.823 -0.032 1.00 4.79 C ATOM 642 O GLN A 41 -6.342 4.753 -0.667 1.00 6.34 O ATOM 643 CB GLN A 41 -6.564 1.878 -1.432 1.00 4.20 C ATOM 644 CG GLN A 41 -7.106 0.553 -1.946 1.00 3.20 C ATOM 645 CD GLN A 41 -6.021 -0.090 -2.827 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.835 0.046 -2.437 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.348 -0.637 -4.034 1.00 7.13 N ATOM 0 H GLN A 41 -8.301 3.713 -2.407 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.101 2.233 0.095 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.171 2.443 -2.277 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.725 1.675 -0.766 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.361 -0.104 -1.114 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.019 0.711 -2.519 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.327 -0.726 -4.305 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.613 -0.957 -4.665 1.00 7.13 H new ATOM 656 N ARG A 42 -6.447 3.713 1.257 1.00 5.73 N ATOM 657 CA ARG A 42 -5.415 4.460 1.887 1.00 6.97 C ATOM 658 C ARG A 42 -4.362 3.533 2.444 1.00 7.15 C ATOM 659 O ARG A 42 -4.697 2.456 2.913 1.00 7.33 O ATOM 660 CB ARG A 42 -6.036 5.328 2.989 1.00 13.23 C ATOM 661 CG ARG A 42 -6.758 6.497 2.323 1.00 21.27 C ATOM 662 CD ARG A 42 -7.313 7.436 3.441 1.00 26.14 C ATOM 663 NE ARG A 42 -7.688 8.718 2.728 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.714 9.502 3.157 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.625 9.069 4.035 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.932 10.672 2.541 1.00 36.39 N ATOM 0 H ARG A 42 -6.925 3.074 1.892 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.926 5.108 1.160 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.733 4.742 3.588 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.264 5.694 3.666 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.075 7.044 1.673 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.571 6.132 1.696 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.177 6.992 3.935 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.564 7.618 4.211 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.157 9.001 1.904 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.565 8.121 4.407 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.380 9.687 4.333 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.334 10.960 1.766 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.696 11.275 2.847 1.00 36.39 H new ATOM 680 N LEU A 43 -3.074 3.876 2.304 1.00 4.65 N ATOM 681 CA LEU A 43 -1.985 2.989 2.698 1.00 3.51 C ATOM 682 C LEU A 43 -1.152 3.589 3.870 1.00 5.56 C ATOM 683 O LEU A 43 -1.102 4.849 4.023 1.00 4.19 O ATOM 684 CB LEU A 43 -1.147 2.554 1.467 1.00 3.74 C ATOM 685 CG LEU A 43 -1.887 1.700 0.399 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.895 1.319 -0.665 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.381 0.348 1.007 1.00 6.41 C ATOM 0 H LEU A 43 -2.766 4.768 1.918 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.409 2.069 3.100 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.761 3.450 0.981 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.286 1.988 1.822 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.727 2.283 0.021 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.391 0.718 -1.427 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.488 2.221 -1.122 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.086 0.742 -0.218 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.895 -0.230 0.239 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.526 -0.219 1.376 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.067 0.548 1.830 1.00 6.41 H new ATOM 699 N ILE A 44 -0.706 2.680 4.816 1.00 4.58 N ATOM 700 CA ILE A 44 -0.160 3.036 6.132 1.00 5.55 C ATOM 701 C ILE A 44 1.077 2.120 6.408 1.00 5.46 C ATOM 702 O ILE A 44 1.058 0.908 6.183 1.00 6.04 O ATOM 703 CB ILE A 44 -1.168 3.035 7.335 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.406 3.897 7.156 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.427 3.562 8.582 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.556 3.216 6.402 1.00 13.90 C ATOM 0 H ILE A 44 -0.728 1.673 4.656 1.00 4.58 H new ATOM 0 HA ILE A 44 0.123 4.087 6.073 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.516 2.006 7.421 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.765 4.203 8.139 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.126 4.805 6.622 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.108 3.571 9.433 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.421 2.914 8.802 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.070 4.574 8.392 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.397 3.905 6.322 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.220 2.935 5.404 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.869 2.324 6.944 1.00 13.90 H new ATOM 718 N PHE A 45 2.257 2.706 6.742 1.00 6.75 N ATOM 719 CA PHE A 45 3.472 1.959 6.953 1.00 4.70 C ATOM 720 C PHE A 45 4.169 2.611 8.147 1.00 6.34 C ATOM 721 O PHE A 45 4.433 3.862 8.153 1.00 5.45 O ATOM 722 CB PHE A 45 4.382 1.971 5.681 1.00 5.51 C ATOM 723 CG PHE A 45 5.732 1.348 5.949 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.942 0.114 6.569 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.755 2.233 5.857 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.223 -0.302 7.024 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.070 1.865 6.223 1.00 6.64 C ATOM 728 CZ PHE A 45 8.250 0.643 6.856 1.00 6.84 C ATOM 0 H PHE A 45 2.366 3.712 6.867 1.00 6.75 H new ATOM 0 HA PHE A 45 3.257 0.909 7.150 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.886 1.430 4.875 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.517 2.998 5.341 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.100 -0.548 6.708 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.563 3.234 5.499 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.394 -1.272 7.466 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.908 2.514 6.017 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.231 0.406 7.240 1.00 6.84 H new ATOM 738 N ALA A 46 4.378 1.904 9.260 1.00 6.53 N ATOM 739 CA ALA A 46 5.013 2.503 10.399 1.00 7.15 C ATOM 740 C ALA A 46 4.382 3.670 11.164 1.00 9.00 C ATOM 741 O ALA A 46 5.078 4.442 11.836 1.00 11.15 O ATOM 742 CB ALA A 46 6.438 2.775 10.045 1.00 8.99 C ATOM 0 H ALA A 46 4.114 0.926 9.381 1.00 6.53 H new ATOM 0 HA ALA A 46 4.869 1.742 11.166 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.944 3.231 10.896 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.934 1.839 9.787 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.478 3.453 9.193 1.00 8.99 H new ATOM 748 N GLY A 47 3.003 3.790 11.158 1.00 9.35 N ATOM 749 CA GLY A 47 2.203 4.938 11.604 1.00 11.68 C ATOM 750 C GLY A 47 2.188 6.107 10.677 1.00 11.14 C ATOM 751 O GLY A 47 1.573 7.137 10.950 1.00 13.93 O ATOM 0 H GLY A 47 2.413 3.031 10.818 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.177 4.606 11.759 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.581 5.268 12.572 1.00 11.68 H new ATOM 755 N LYS A 48 2.899 5.950 9.524 1.00 10.47 N ATOM 756 CA LYS A 48 2.888 6.933 8.415 1.00 8.82 C ATOM 757 C LYS A 48 1.966 6.597 7.322 1.00 7.68 C ATOM 758 O LYS A 48 1.936 5.457 6.777 1.00 6.47 O ATOM 759 CB LYS A 48 4.334 7.033 7.849 1.00 9.74 C ATOM 760 CG LYS A 48 4.616 8.170 6.836 1.00 14.14 C ATOM 761 CD LYS A 48 4.614 9.547 7.514 1.00 16.32 C ATOM 762 CE LYS A 48 5.844 9.845 8.466 1.00 20.04 C ATOM 763 NZ LYS A 48 5.943 11.259 8.841 1.00 23.92 N ATOM 0 H LYS A 48 3.492 5.140 9.343 1.00 10.47 H new ATOM 0 HA LYS A 48 2.535 7.879 8.826 1.00 8.82 H new ATOM 0 HB2 LYS A 48 5.019 7.150 8.689 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.576 6.085 7.370 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.581 8.001 6.358 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.863 8.151 6.048 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.584 10.313 6.739 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.697 9.644 8.095 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.754 9.240 9.368 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.765 9.540 7.968 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.765 11.396 9.464 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.057 11.838 7.985 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.078 11.547 9.341 1.00 23.92 H new ATOM 777 N GLN A 49 1.068 7.514 6.879 1.00 8.89 N ATOM 778 CA GLN A 49 0.186 7.428 5.757 1.00 7.18 C ATOM 779 C GLN A 49 0.963 7.659 4.427 1.00 8.23 C ATOM 780 O GLN A 49 1.803 8.525 4.302 1.00 9.70 O ATOM 781 CB GLN A 49 -0.956 8.515 5.899 1.00 11.67 C ATOM 782 CG GLN A 49 -2.102 8.167 4.935 1.00 15.82 C ATOM 783 CD GLN A 49 -3.331 8.983 5.296 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.752 8.920 6.442 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.883 9.689 4.287 1.00 20.67 N ATOM 0 H GLN A 49 0.957 8.404 7.365 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.253 6.431 5.734 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.323 8.544 6.925 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.562 9.506 5.673 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.803 8.375 3.908 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.329 7.102 4.992 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.454 9.677 3.362 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.729 10.235 4.450 1.00 20.67 H new ATOM 794 N LEU A 50 0.772 6.780 3.370 1.00 6.51 N ATOM 795 CA LEU A 50 1.613 6.832 2.177 1.00 7.41 C ATOM 796 C LEU A 50 0.882 7.550 1.027 1.00 8.27 C ATOM 797 O LEU A 50 -0.233 7.187 0.755 1.00 8.34 O ATOM 798 CB LEU A 50 1.885 5.355 1.835 1.00 7.13 C ATOM 799 CG LEU A 50 2.551 4.471 2.910 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.987 3.141 2.276 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.766 5.229 3.514 1.00 9.11 C ATOM 0 H LEU A 50 0.053 6.057 3.350 1.00 6.51 H new ATOM 0 HA LEU A 50 2.536 7.390 2.337 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.934 4.894 1.567 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.514 5.329 0.945 1.00 7.13 H new ATOM 0 HG LEU A 50 1.846 4.254 3.712 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.458 2.514 3.033 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.115 2.628 1.871 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.698 3.336 1.473 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.240 4.609 4.274 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.485 5.450 2.726 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.425 6.160 3.966 1.00 9.11 H new ATOM 813 N GLU A 51 1.439 8.603 0.461 1.00 9.43 N ATOM 814 CA GLU A 51 0.810 9.405 -0.583 1.00 11.90 C ATOM 815 C GLU A 51 1.065 8.900 -1.988 1.00 11.49 C ATOM 816 O GLU A 51 2.155 8.397 -2.283 1.00 9.88 O ATOM 817 CB GLU A 51 1.147 10.894 -0.394 1.00 16.56 C ATOM 818 CG GLU A 51 0.084 11.757 -0.994 1.00 26.06 C ATOM 819 CD GLU A 51 0.217 13.275 -0.911 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.213 13.735 0.199 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.691 14.019 -1.767 1.00 32.13 O ATOM 0 H GLU A 51 2.368 8.938 0.718 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.268 9.293 -0.466 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.247 11.117 0.668 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.108 11.116 -0.858 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.004 11.493 -2.048 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.862 11.485 -0.525 1.00 26.06 H new ATOM 828 N ASP A 52 0.029 8.862 -2.892 1.00 12.71 N ATOM 829 CA ASP A 52 -0.046 8.126 -4.165 1.00 16.56 C ATOM 830 C ASP A 52 1.128 8.416 -5.205 1.00 15.83 C ATOM 831 O ASP A 52 1.547 7.519 -5.920 1.00 17.21 O ATOM 832 CB ASP A 52 -1.404 8.348 -4.905 1.00 21.05 C ATOM 833 CG ASP A 52 -2.588 8.221 -3.978 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.668 8.997 -2.974 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.424 7.321 -4.151 1.00 28.37 O ATOM 0 H ASP A 52 -0.827 9.389 -2.720 1.00 12.71 H new ATOM 0 HA ASP A 52 0.057 7.092 -3.837 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.408 9.337 -5.363 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.498 7.622 -5.713 1.00 21.05 H new ATOM 840 N GLY A 53 1.554 9.711 -5.249 1.00 15.00 N ATOM 841 CA GLY A 53 2.661 10.169 -6.105 1.00 11.77 C ATOM 842 C GLY A 53 4.066 9.957 -5.601 1.00 11.10 C ATOM 843 O GLY A 53 4.915 10.101 -6.410 1.00 11.25 O ATOM 0 H GLY A 53 1.135 10.454 -4.691 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.570 9.668 -7.069 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.526 11.235 -6.287 1.00 11.77 H new ATOM 847 N ARG A 54 4.243 9.482 -4.351 1.00 8.53 N ATOM 848 CA ARG A 54 5.537 9.192 -3.737 1.00 9.05 C ATOM 849 C ARG A 54 6.026 7.823 -4.189 1.00 8.96 C ATOM 850 O ARG A 54 5.224 6.926 -4.437 1.00 11.60 O ATOM 851 CB ARG A 54 5.419 9.155 -2.214 1.00 7.97 C ATOM 852 CG ARG A 54 5.268 10.541 -1.463 1.00 9.62 C ATOM 853 CD ARG A 54 6.593 11.324 -1.418 1.00 12.20 C ATOM 854 NE ARG A 54 6.378 12.739 -0.912 1.00 18.23 N ATOM 855 CZ ARG A 54 7.384 13.567 -0.668 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.640 13.226 -0.814 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.042 14.862 -0.424 1.00 23.38 N ATOM 0 H ARG A 54 3.459 9.287 -3.729 1.00 8.53 H new ATOM 0 HA ARG A 54 6.231 9.976 -4.040 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.559 8.537 -1.957 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.302 8.652 -1.819 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.509 11.143 -1.963 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.917 10.365 -0.446 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.302 10.807 -0.771 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.034 11.354 -2.414 1.00 12.20 H new ATOM 0 HE ARG A 54 5.424 13.065 -0.754 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.880 12.286 -1.129 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.378 13.901 -0.613 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.061 15.141 -0.436 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.767 15.553 -0.229 1.00 23.38 H new ATOM 871 N THR A 55 7.362 7.560 -4.361 1.00 9.05 N ATOM 872 CA THR A 55 7.960 6.235 -4.588 1.00 9.03 C ATOM 873 C THR A 55 8.152 5.469 -3.311 1.00 8.15 C ATOM 874 O THR A 55 8.334 6.011 -2.206 1.00 5.91 O ATOM 875 CB THR A 55 9.243 6.157 -5.401 1.00 11.15 C ATOM 876 OG1 THR A 55 10.341 6.930 -4.874 1.00 11.95 O ATOM 877 CG2 THR A 55 8.966 6.675 -6.813 1.00 11.71 C ATOM 0 H THR A 55 8.061 8.302 -4.342 1.00 9.05 H new ATOM 0 HA THR A 55 7.199 5.778 -5.221 1.00 9.03 H new ATOM 0 HB THR A 55 9.541 5.109 -5.375 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.088 6.333 -4.661 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.880 6.624 -7.405 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.195 6.062 -7.281 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.625 7.709 -6.761 1.00 11.71 H new ATOM 885 N LEU A 56 8.100 4.127 -3.413 1.00 6.91 N ATOM 886 CA LEU A 56 8.387 3.255 -2.251 1.00 8.29 C ATOM 887 C LEU A 56 9.719 3.576 -1.618 1.00 8.05 C ATOM 888 O LEU A 56 9.845 3.622 -0.380 1.00 10.17 O ATOM 889 CB LEU A 56 8.390 1.759 -2.655 1.00 6.60 C ATOM 890 CG LEU A 56 7.004 1.060 -2.867 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.210 -0.257 -3.641 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.336 0.779 -1.521 1.00 8.64 C ATOM 0 H LEU A 56 7.866 3.627 -4.271 1.00 6.91 H new ATOM 0 HA LEU A 56 7.592 3.444 -1.530 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.959 1.662 -3.579 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.931 1.205 -1.888 1.00 6.60 H new ATOM 0 HG LEU A 56 6.355 1.721 -3.441 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.247 -0.746 -3.790 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.662 -0.043 -4.609 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.867 -0.915 -3.072 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.374 0.293 -1.686 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.975 0.126 -0.927 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.182 1.717 -0.988 1.00 8.64 H new ATOM 904 N SER A 57 10.821 3.854 -2.370 1.00 8.92 N ATOM 905 CA SER A 57 12.090 4.342 -1.962 1.00 9.00 C ATOM 906 C SER A 57 12.041 5.679 -1.191 1.00 9.44 C ATOM 907 O SER A 57 12.746 5.852 -0.206 1.00 10.91 O ATOM 908 CB SER A 57 13.176 4.367 -3.109 1.00 10.32 C ATOM 909 OG SER A 57 12.667 5.140 -4.207 1.00 13.59 O ATOM 0 H SER A 57 10.797 3.713 -3.380 1.00 8.92 H new ATOM 0 HA SER A 57 12.422 3.592 -1.245 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.105 4.801 -2.740 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.405 3.352 -3.435 1.00 10.32 H new ATOM 0 HG SER A 57 12.022 4.604 -4.714 1.00 13.59 H new ATOM 915 N ASP A 58 11.214 6.652 -1.614 1.00 9.11 N ATOM 916 CA ASP A 58 11.094 7.909 -0.955 1.00 7.91 C ATOM 917 C ASP A 58 10.708 7.788 0.560 1.00 9.12 C ATOM 918 O ASP A 58 11.208 8.528 1.391 1.00 8.61 O ATOM 919 CB ASP A 58 9.982 8.727 -1.724 1.00 8.41 C ATOM 920 CG ASP A 58 9.809 10.154 -1.380 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.410 10.446 -0.248 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.950 11.040 -2.222 1.00 10.05 O ATOM 0 H ASP A 58 10.615 6.559 -2.435 1.00 9.11 H new ATOM 0 HA ASP A 58 12.065 8.405 -0.974 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.199 8.664 -2.790 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.027 8.226 -1.563 1.00 8.41 H new ATOM 927 N TYR A 59 9.851 6.856 0.914 1.00 7.97 N ATOM 928 CA TYR A 59 9.430 6.650 2.321 1.00 8.45 C ATOM 929 C TYR A 59 10.398 5.664 3.011 1.00 10.98 C ATOM 930 O TYR A 59 10.285 5.420 4.232 1.00 12.95 O ATOM 931 CB TYR A 59 8.004 5.964 2.343 1.00 7.94 C ATOM 932 CG TYR A 59 6.871 6.898 2.203 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.542 7.737 3.285 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.130 7.003 1.016 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.504 8.685 3.197 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.121 7.927 0.946 1.00 6.52 C ATOM 937 CZ TYR A 59 4.812 8.726 2.013 1.00 6.76 C ATOM 938 OH TYR A 59 3.780 9.673 1.828 1.00 7.63 O ATOM 0 H TYR A 59 9.416 6.212 0.253 1.00 7.97 H new ATOM 0 HA TYR A 59 9.420 7.616 2.826 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.955 5.231 1.538 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.893 5.417 3.279 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.100 7.651 4.206 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.351 6.366 0.172 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.265 9.345 4.018 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.558 8.027 0.030 1.00 6.52 H new ATOM 0 HH TYR A 59 4.171 10.543 1.601 1.00 7.63 H new ATOM 948 N ASN A 60 11.365 5.042 2.256 1.00 12.38 N ATOM 949 CA ASN A 60 12.308 4.078 2.695 1.00 13.94 C ATOM 950 C ASN A 60 11.564 2.889 3.221 1.00 14.16 C ATOM 951 O ASN A 60 11.771 2.451 4.340 1.00 14.26 O ATOM 952 CB ASN A 60 13.263 4.713 3.691 1.00 19.23 C ATOM 953 CG ASN A 60 13.888 5.983 3.144 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.506 7.121 3.454 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.931 5.807 2.314 1.00 24.09 N ATOM 0 H ASN A 60 11.472 5.250 1.263 1.00 12.38 H new ATOM 0 HA ASN A 60 12.933 3.721 1.877 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.728 4.940 4.613 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.049 4.002 3.945 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.420 6.616 1.930 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.234 4.865 2.068 1.00 24.09 H new ATOM 962 N ILE A 61 10.633 2.289 2.436 1.00 11.08 N ATOM 963 CA ILE A 61 9.903 1.092 2.825 1.00 11.78 C ATOM 964 C ILE A 61 10.839 -0.095 2.555 1.00 13.74 C ATOM 965 O ILE A 61 11.396 -0.268 1.495 1.00 14.60 O ATOM 966 CB ILE A 61 8.617 1.009 2.115 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.683 2.155 2.460 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.966 -0.380 2.375 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.467 2.296 1.585 1.00 11.42 C ATOM 0 H ILE A 61 10.378 2.638 1.512 1.00 11.08 H new ATOM 0 HA ILE A 61 9.632 1.100 3.881 1.00 11.78 H new ATOM 0 HB ILE A 61 8.811 1.108 1.047 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.353 2.031 3.491 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.249 3.086 2.416 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.014 -0.440 1.848 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.630 -1.166 2.015 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.798 -0.509 3.444 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.873 3.145 1.922 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.778 2.458 0.553 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.868 1.387 1.645 1.00 11.42 H new ATOM 981 N GLN A 62 11.165 -0.890 3.574 1.00 13.97 N ATOM 982 CA GLN A 62 12.193 -1.915 3.508 1.00 15.52 C ATOM 983 C GLN A 62 11.718 -3.208 2.899 1.00 13.94 C ATOM 984 O GLN A 62 10.532 -3.417 2.797 1.00 12.15 O ATOM 985 CB GLN A 62 12.877 -2.215 4.837 1.00 19.53 C ATOM 986 CG GLN A 62 13.363 -0.934 5.679 1.00 26.38 C ATOM 987 CD GLN A 62 13.891 -1.360 7.029 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.337 -0.986 8.083 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.038 -2.095 7.084 1.00 32.71 N ATOM 0 H GLN A 62 10.709 -0.834 4.485 1.00 13.97 H new ATOM 0 HA GLN A 62 12.933 -1.464 2.847 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.190 -2.793 5.455 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.742 -2.849 4.644 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.140 -0.403 5.129 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.533 -0.240 5.809 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.490 -2.400 6.222 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.444 -2.340 7.987 1.00 32.71 H new ATOM 998 N LYS A 63 12.640 -4.186 2.579 1.00 11.73 N ATOM 999 CA LYS A 63 12.308 -5.579 2.355 1.00 11.97 C ATOM 1000 C LYS A 63 11.618 -6.296 3.563 1.00 10.41 C ATOM 1001 O LYS A 63 11.865 -6.037 4.730 1.00 9.59 O ATOM 1002 CB LYS A 63 13.529 -6.433 1.939 1.00 13.73 C ATOM 1003 CG LYS A 63 14.575 -6.592 3.060 1.00 16.98 C ATOM 1004 CD LYS A 63 15.424 -7.822 2.749 1.00 20.19 C ATOM 1005 CE LYS A 63 16.577 -8.068 3.747 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.961 -8.562 5.038 1.00 25.97 N ATOM 0 H LYS A 63 13.636 -3.990 2.477 1.00 11.73 H new ATOM 0 HA LYS A 63 11.590 -5.518 1.537 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.185 -7.420 1.631 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.004 -5.976 1.071 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.203 -5.703 3.123 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.083 -6.704 4.026 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.778 -8.700 2.734 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.842 -7.717 1.748 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.278 -8.803 3.350 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.140 -7.150 3.917 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.714 -8.771 5.724 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.333 -7.829 5.425 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.412 -9.426 4.853 1.00 25.97 H new ATOM 1020 N GLU A 64 10.611 -7.127 3.315 1.00 10.04 N ATOM 1021 CA GLU A 64 9.962 -8.016 4.283 1.00 10.94 C ATOM 1022 C GLU A 64 9.103 -7.322 5.378 1.00 9.74 C ATOM 1023 O GLU A 64 8.607 -7.957 6.333 1.00 9.42 O ATOM 1024 CB GLU A 64 10.991 -8.972 4.822 1.00 18.31 C ATOM 1025 CG GLU A 64 11.769 -9.808 3.789 1.00 24.16 C ATOM 1026 CD GLU A 64 12.767 -10.654 4.475 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.978 -10.307 4.773 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.315 -11.752 4.835 1.00 32.61 O ATOM 0 H GLU A 64 10.201 -7.206 2.384 1.00 10.04 H new ATOM 0 HA GLU A 64 9.195 -8.573 3.746 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.711 -8.401 5.409 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.492 -9.657 5.508 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.080 -10.432 3.220 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.266 -9.150 3.076 1.00 24.16 H new ATOM 1035 N SER A 65 8.888 -6.015 5.300 1.00 6.85 N ATOM 1036 CA SER A 65 8.213 -5.171 6.179 1.00 6.90 C ATOM 1037 C SER A 65 6.679 -5.367 6.189 1.00 4.72 C ATOM 1038 O SER A 65 6.090 -5.677 5.168 1.00 3.91 O ATOM 1039 CB SER A 65 8.475 -3.637 5.961 1.00 7.28 C ATOM 1040 OG SER A 65 9.838 -3.361 6.332 1.00 10.56 O ATOM 0 H SER A 65 9.244 -5.490 4.501 1.00 6.85 H new ATOM 0 HA SER A 65 8.639 -5.476 7.135 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.301 -3.365 4.920 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.788 -3.044 6.565 1.00 7.28 H new ATOM 0 HG SER A 65 10.026 -2.408 6.202 1.00 10.56 H new ATOM 1046 N THR A 66 5.984 -5.090 7.292 1.00 4.48 N ATOM 1047 CA THR A 66 4.540 -5.163 7.423 1.00 3.80 C ATOM 1048 C THR A 66 3.879 -3.840 7.066 1.00 4.60 C ATOM 1049 O THR A 66 4.201 -2.856 7.723 1.00 5.33 O ATOM 1050 CB THR A 66 4.126 -5.624 8.759 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.535 -6.966 8.955 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.572 -5.560 8.974 1.00 3.40 C ATOM 0 H THR A 66 6.440 -4.795 8.156 1.00 4.48 H new ATOM 0 HA THR A 66 4.197 -5.909 6.707 1.00 3.80 H new ATOM 0 HB THR A 66 4.601 -4.952 9.474 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.258 -7.266 9.846 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.329 -5.912 9.976 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.231 -4.531 8.858 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.076 -6.192 8.237 1.00 3.40 H new ATOM 1060 N LEU A 67 2.950 -3.785 6.118 1.00 4.17 N ATOM 1061 CA LEU A 67 2.248 -2.614 5.735 1.00 3.85 C ATOM 1062 C LEU A 67 0.803 -2.891 5.898 1.00 3.80 C ATOM 1063 O LEU A 67 0.422 -4.050 6.097 1.00 5.54 O ATOM 1064 CB LEU A 67 2.469 -2.281 4.289 1.00 7.18 C ATOM 1065 CG LEU A 67 3.899 -1.712 3.990 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.835 -2.849 3.690 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.876 -0.617 2.931 1.00 11.66 C ATOM 0 H LEU A 67 2.669 -4.607 5.584 1.00 4.17 H new ATOM 0 HA LEU A 67 2.598 -1.784 6.348 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.311 -3.177 3.690 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.723 -1.551 3.974 1.00 7.18 H new ATOM 0 HG LEU A 67 4.282 -1.207 4.877 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.830 -2.456 3.482 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.882 -3.518 4.549 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.473 -3.399 2.821 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.890 -0.255 2.759 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.472 -1.018 2.002 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.250 0.207 3.273 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.070 -1.834 5.874 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.432 -1.885 6.227 1.00 4.17 C ATOM 1081 C HIS A 68 -2.200 -1.226 5.163 1.00 5.32 C ATOM 1082 O HIS A 68 -1.779 -0.206 4.576 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.767 -1.119 7.504 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.880 -1.612 8.624 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.397 -1.147 8.849 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.132 -2.544 9.538 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.888 -1.939 9.851 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.002 -2.739 10.338 1.00 16.30 N ATOM 0 H HIS A 68 0.223 -0.900 5.586 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.672 -2.938 6.375 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.620 -0.050 7.351 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.816 -1.262 7.764 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.068 -3.071 9.647 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.910 -1.898 10.197 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.104 -3.373 11.130 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.442 -1.755 4.905 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.416 -1.228 3.929 1.00 3.97 C ATOM 1098 C LEU A 69 -5.654 -0.742 4.635 1.00 5.07 C ATOM 1099 O LEU A 69 -6.054 -1.378 5.635 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.950 -2.386 3.069 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.097 -2.089 2.129 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.726 -1.137 1.019 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.522 -3.410 1.490 1.00 9.96 C ATOM 0 H LEU A 69 -3.787 -2.582 5.392 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.910 -0.446 3.362 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.122 -2.774 2.476 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.264 -3.186 3.740 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.890 -1.619 2.711 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.593 -0.966 0.381 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.398 -0.190 1.447 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.918 -1.566 0.426 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.350 -3.232 0.804 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.682 -3.836 0.942 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.838 -4.105 2.268 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.261 0.421 4.265 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.560 0.789 4.771 1.00 6.26 C ATOM 1117 C VAL A 70 -8.508 0.974 3.609 1.00 9.22 C ATOM 1118 O VAL A 70 -8.250 1.840 2.759 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.588 1.998 5.649 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -9.028 2.409 6.006 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.791 1.642 6.949 1.00 8.54 C ATOM 0 H VAL A 70 -5.852 1.098 3.621 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.869 -0.032 5.418 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.140 2.844 5.127 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -9.007 3.292 6.645 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.579 2.635 5.093 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.520 1.591 6.533 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.787 2.501 7.620 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.265 0.796 7.446 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.766 1.381 6.687 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.626 0.223 3.507 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.689 0.439 2.558 1.00 16.06 C ATOM 1133 C LEU A 71 -11.410 1.770 2.860 1.00 18.09 C ATOM 1134 O LEU A 71 -11.843 1.975 3.957 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.709 -0.755 2.467 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.910 -0.496 1.535 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.453 -0.871 0.138 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.056 -1.291 2.035 1.00 19.57 C ATOM 0 H LEU A 71 -9.799 -0.576 4.117 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.222 0.497 1.575 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.180 -1.643 2.120 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.082 -0.976 3.467 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.244 0.541 1.512 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.267 -0.707 -0.568 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.599 -0.254 -0.143 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.163 -1.922 0.120 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.921 -1.126 1.393 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.795 -2.349 2.028 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.296 -0.983 3.053 1.00 19.57 H new