USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 642 hydrogens (31 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 ALA N :NH3+ -174:sc= 1.08 (180deg=1.04) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.759 F(o=-3.3,f=-0.76) USER MOD Single : A 16 ASN : amide:sc= -5.91! C(o=-5.9!,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 2.1 (180deg=1.15) USER MOD Single : A 31 SER OG : rot 180:sc= -0.021 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 42 SER OG : rot -75:sc= 1.12 USER MOD Single : A 43 MET CE :methyl 177:sc= -1.2 (180deg=-1.23) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= -0.0425 (180deg=-0.221) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.253) USER MOD Single : A 65 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 73 THR OG1 : rot 79:sc= 1.31 USER MOD Single : A 74 LYS NZ :NH3+ 173:sc=-0.00265 (180deg=-0.0791) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -3.5! C(o=-3.5!,f=-9.1!) USER MOD Single : A 101 SXH O33 : rot 74:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.925 -7.136 5.133 1.00 1.43 N ATOM 2 CA ALA A 1 13.247 -7.060 3.849 1.00 0.89 C ATOM 3 C ALA A 1 12.005 -7.939 3.848 1.00 0.84 C ATOM 4 O ALA A 1 12.055 -9.123 4.193 1.00 1.31 O ATOM 5 CB ALA A 1 14.184 -7.462 2.719 1.00 1.02 C ATOM 0 H1 ALA A 1 14.710 -6.455 5.152 1.00 1.43 H new ATOM 0 H2 ALA A 1 13.253 -6.911 5.894 1.00 1.43 H new ATOM 0 H3 ALA A 1 14.297 -8.097 5.273 1.00 1.43 H new ATOM 0 HA ALA A 1 12.940 -6.027 3.687 1.00 0.89 H new ATOM 0 HB1 ALA A 1 13.656 -7.398 1.768 1.00 1.02 H new ATOM 0 HB2 ALA A 1 15.043 -6.791 2.703 1.00 1.02 H new ATOM 0 HB3 ALA A 1 14.525 -8.485 2.876 1.00 1.02 H new ATOM 13 N ALA A 2 10.894 -7.333 3.512 1.00 0.70 N ATOM 14 CA ALA A 2 9.627 -8.010 3.409 1.00 0.62 C ATOM 15 C ALA A 2 9.520 -8.665 2.040 1.00 0.65 C ATOM 16 O ALA A 2 10.363 -8.427 1.173 1.00 0.87 O ATOM 17 CB ALA A 2 8.498 -7.015 3.611 1.00 0.59 C ATOM 0 H ALA A 2 10.845 -6.337 3.299 1.00 0.70 H new ATOM 0 HA ALA A 2 9.554 -8.779 4.178 1.00 0.62 H new ATOM 0 HB1 ALA A 2 7.541 -7.530 3.532 1.00 0.59 H new ATOM 0 HB2 ALA A 2 8.586 -6.561 4.598 1.00 0.59 H new ATOM 0 HB3 ALA A 2 8.556 -6.239 2.848 1.00 0.59 H new ATOM 23 N THR A 3 8.489 -9.434 1.822 1.00 0.51 N ATOM 24 CA THR A 3 8.330 -10.131 0.590 1.00 0.54 C ATOM 25 C THR A 3 7.069 -9.643 -0.053 1.00 0.42 C ATOM 26 O THR A 3 6.474 -8.695 0.455 1.00 0.37 O ATOM 27 CB THR A 3 8.246 -11.651 0.824 1.00 0.64 C ATOM 28 OG1 THR A 3 7.246 -11.920 1.829 1.00 0.63 O ATOM 29 CG2 THR A 3 9.592 -12.214 1.273 1.00 0.82 C ATOM 0 H THR A 3 7.740 -9.591 2.497 1.00 0.51 H new ATOM 0 HA THR A 3 9.190 -9.943 -0.053 1.00 0.54 H new ATOM 0 HB THR A 3 7.974 -12.134 -0.114 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.187 -12.886 1.981 1.00 0.63 H new ATOM 0 HG21 THR A 3 9.503 -13.289 1.431 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.341 -12.021 0.505 1.00 0.82 H new ATOM 0 HG23 THR A 3 9.894 -11.735 2.204 1.00 0.82 H new ATOM 37 N GLN A 4 6.614 -10.300 -1.100 1.00 0.44 N ATOM 38 CA GLN A 4 5.386 -9.913 -1.755 1.00 0.42 C ATOM 39 C GLN A 4 4.265 -10.068 -0.759 1.00 0.38 C ATOM 40 O GLN A 4 3.505 -9.137 -0.527 1.00 0.38 O ATOM 41 CB GLN A 4 5.187 -10.755 -3.055 1.00 0.52 C ATOM 42 CG GLN A 4 3.881 -10.560 -3.862 1.00 0.66 C ATOM 43 CD GLN A 4 2.679 -11.314 -3.296 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.902 -10.671 -2.478 1.00 1.24 O flip ATOM 45 NE2 GLN A 4 2.451 -12.468 -3.629 1.00 0.63 N flip ATOM 0 H GLN A 4 7.080 -11.107 -1.515 1.00 0.44 H new ATOM 0 HA GLN A 4 5.410 -8.872 -2.077 1.00 0.42 H new ATOM 0 HB2 GLN A 4 6.024 -10.542 -3.720 1.00 0.52 H new ATOM 0 HB3 GLN A 4 5.256 -11.808 -2.783 1.00 0.52 H new ATOM 0 HG2 GLN A 4 3.645 -9.497 -3.899 1.00 0.66 H new ATOM 0 HG3 GLN A 4 4.049 -10.885 -4.889 1.00 0.66 H new ATOM 0 HE21 GLN A 4 3.080 -12.947 -4.274 1.00 0.63 H new ATOM 0 HE22 GLN A 4 1.632 -12.952 -3.262 1.00 0.63 H new ATOM 54 N GLU A 5 4.236 -11.219 -0.125 1.00 0.40 N ATOM 55 CA GLU A 5 3.247 -11.556 0.872 1.00 0.46 C ATOM 56 C GLU A 5 3.258 -10.540 2.017 1.00 0.37 C ATOM 57 O GLU A 5 2.218 -10.014 2.401 1.00 0.37 O ATOM 58 CB GLU A 5 3.569 -12.929 1.429 1.00 0.63 C ATOM 59 CG GLU A 5 2.546 -13.460 2.399 1.00 1.35 C ATOM 60 CD GLU A 5 3.008 -14.719 3.054 1.00 1.79 C ATOM 61 OE1 GLU A 5 3.177 -15.735 2.359 1.00 2.43 O ATOM 62 OE2 GLU A 5 3.249 -14.712 4.274 1.00 2.08 O ATOM 0 H GLU A 5 4.914 -11.962 -0.292 1.00 0.40 H new ATOM 0 HA GLU A 5 2.261 -11.547 0.408 1.00 0.46 H new ATOM 0 HB2 GLU A 5 3.666 -13.631 0.601 1.00 0.63 H new ATOM 0 HB3 GLU A 5 4.538 -12.888 1.927 1.00 0.63 H new ATOM 0 HG2 GLU A 5 2.341 -12.707 3.161 1.00 1.35 H new ATOM 0 HG3 GLU A 5 1.609 -13.645 1.874 1.00 1.35 H new ATOM 69 N GLU A 6 4.448 -10.248 2.515 1.00 0.36 N ATOM 70 CA GLU A 6 4.606 -9.365 3.669 1.00 0.37 C ATOM 71 C GLU A 6 4.230 -7.939 3.373 1.00 0.29 C ATOM 72 O GLU A 6 3.557 -7.310 4.175 1.00 0.31 O ATOM 73 CB GLU A 6 5.993 -9.423 4.238 1.00 0.46 C ATOM 74 CG GLU A 6 6.358 -10.748 4.837 1.00 0.67 C ATOM 75 CD GLU A 6 7.723 -10.721 5.436 1.00 1.38 C ATOM 76 OE1 GLU A 6 7.883 -10.169 6.525 1.00 1.91 O ATOM 77 OE2 GLU A 6 8.665 -11.278 4.829 1.00 2.07 O ATOM 0 H GLU A 6 5.325 -10.609 2.139 1.00 0.36 H new ATOM 0 HA GLU A 6 3.908 -9.741 4.417 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.707 -9.185 3.450 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.092 -8.652 5.002 1.00 0.46 H new ATOM 0 HG2 GLU A 6 5.629 -11.015 5.602 1.00 0.67 H new ATOM 0 HG3 GLU A 6 6.312 -11.520 4.069 1.00 0.67 H new ATOM 84 N ILE A 7 4.679 -7.408 2.234 1.00 0.24 N ATOM 85 CA ILE A 7 4.289 -6.068 1.839 1.00 0.19 C ATOM 86 C ILE A 7 2.788 -5.997 1.760 1.00 0.17 C ATOM 87 O ILE A 7 2.172 -5.137 2.377 1.00 0.20 O ATOM 88 CB ILE A 7 4.883 -5.702 0.481 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.391 -5.731 0.570 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.400 -4.317 0.043 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.058 -5.629 -0.754 1.00 0.25 C ATOM 0 H ILE A 7 5.304 -7.883 1.582 1.00 0.24 H new ATOM 0 HA ILE A 7 4.665 -5.363 2.580 1.00 0.19 H new ATOM 0 HB ILE A 7 4.553 -6.427 -0.263 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.727 -4.910 1.203 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.702 -6.656 1.056 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.832 -4.071 -0.927 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.313 -4.318 -0.034 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.711 -3.574 0.778 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.139 -5.656 -0.620 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.750 -6.465 -1.382 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.775 -4.692 -1.233 1.00 0.25 H new ATOM 103 N VAL A 8 2.221 -6.940 1.045 1.00 0.15 N ATOM 104 CA VAL A 8 0.770 -7.002 0.856 1.00 0.15 C ATOM 105 C VAL A 8 0.039 -7.054 2.195 1.00 0.17 C ATOM 106 O VAL A 8 -0.782 -6.185 2.480 1.00 0.19 O ATOM 107 CB VAL A 8 0.365 -8.200 -0.035 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.142 -8.408 -0.027 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.819 -7.938 -1.448 1.00 0.18 C ATOM 0 H VAL A 8 2.737 -7.685 0.577 1.00 0.15 H new ATOM 0 HA VAL A 8 0.472 -6.088 0.343 1.00 0.15 H new ATOM 0 HB VAL A 8 0.839 -9.099 0.360 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.396 -9.257 -0.662 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.477 -8.604 0.992 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.635 -7.512 -0.405 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.537 -8.778 -2.082 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.347 -7.029 -1.819 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.902 -7.817 -1.466 1.00 0.18 H new ATOM 119 N ALA A 9 0.358 -8.046 3.013 1.00 0.19 N ATOM 120 CA ALA A 9 -0.282 -8.227 4.313 1.00 0.22 C ATOM 121 C ALA A 9 -0.050 -7.026 5.230 1.00 0.18 C ATOM 122 O ALA A 9 -0.910 -6.692 6.047 1.00 0.20 O ATOM 123 CB ALA A 9 0.207 -9.507 4.977 1.00 0.28 C ATOM 0 H ALA A 9 1.066 -8.748 2.798 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.355 -8.308 4.141 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.281 -9.624 5.944 1.00 0.28 H new ATOM 0 HB2 ALA A 9 -0.034 -10.361 4.343 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.286 -9.454 5.119 1.00 0.28 H new ATOM 129 N GLY A 10 1.081 -6.371 5.060 1.00 0.17 N ATOM 130 CA GLY A 10 1.438 -5.234 5.853 1.00 0.17 C ATOM 131 C GLY A 10 0.629 -4.039 5.465 1.00 0.15 C ATOM 132 O GLY A 10 0.163 -3.310 6.311 1.00 0.18 O ATOM 0 H GLY A 10 1.778 -6.623 4.359 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.281 -5.458 6.908 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.499 -5.017 5.728 1.00 0.17 H new ATOM 136 N LEU A 11 0.456 -3.845 4.176 1.00 0.14 N ATOM 137 CA LEU A 11 -0.386 -2.777 3.673 1.00 0.14 C ATOM 138 C LEU A 11 -1.800 -3.066 4.090 1.00 0.13 C ATOM 139 O LEU A 11 -2.475 -2.220 4.670 1.00 0.15 O ATOM 140 CB LEU A 11 -0.346 -2.707 2.135 1.00 0.14 C ATOM 141 CG LEU A 11 1.018 -2.544 1.472 1.00 0.18 C ATOM 142 CD1 LEU A 11 0.871 -2.482 -0.039 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.727 -1.319 1.991 1.00 0.26 C ATOM 0 H LEU A 11 0.890 -4.416 3.451 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.027 -1.829 4.074 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.803 -3.617 1.745 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.975 -1.874 1.820 1.00 0.14 H new ATOM 0 HG LEU A 11 1.625 -3.414 1.723 1.00 0.18 H new ATOM 0 HD11 LEU A 11 1.854 -2.366 -0.496 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.411 -3.403 -0.398 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.243 -1.633 -0.309 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.697 -1.226 1.503 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.127 -0.434 1.779 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.870 -1.410 3.068 1.00 0.26 H new ATOM 155 N ALA A 12 -2.211 -4.301 3.834 1.00 0.12 N ATOM 156 CA ALA A 12 -3.542 -4.766 4.099 1.00 0.13 C ATOM 157 C ALA A 12 -3.952 -4.548 5.514 1.00 0.13 C ATOM 158 O ALA A 12 -5.000 -4.004 5.737 1.00 0.15 O ATOM 159 CB ALA A 12 -3.703 -6.212 3.746 1.00 0.14 C ATOM 0 H ALA A 12 -1.605 -5.014 3.427 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.197 -4.171 3.463 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.724 -6.527 3.961 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.495 -6.353 2.685 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.007 -6.810 4.335 1.00 0.14 H new ATOM 165 N GLU A 13 -3.127 -4.957 6.479 1.00 0.13 N ATOM 166 CA GLU A 13 -3.483 -4.800 7.897 1.00 0.18 C ATOM 167 C GLU A 13 -3.764 -3.353 8.245 1.00 0.18 C ATOM 168 O GLU A 13 -4.661 -3.067 9.022 1.00 0.27 O ATOM 169 CB GLU A 13 -2.440 -5.398 8.843 1.00 0.27 C ATOM 170 CG GLU A 13 -1.058 -4.839 8.650 1.00 0.28 C ATOM 171 CD GLU A 13 -0.084 -5.274 9.689 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.443 -6.395 9.567 1.00 0.76 O ATOM 173 OE2 GLU A 13 0.135 -4.554 10.683 1.00 0.66 O ATOM 0 H GLU A 13 -2.220 -5.394 6.313 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.401 -5.369 8.042 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.753 -5.222 9.872 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.409 -6.478 8.699 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.688 -5.140 7.670 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -1.113 -3.750 8.650 1.00 0.28 H new ATOM 180 N ILE A 14 -3.045 -2.460 7.614 1.00 0.13 N ATOM 181 CA ILE A 14 -3.232 -1.039 7.835 1.00 0.13 C ATOM 182 C ILE A 14 -4.542 -0.574 7.153 1.00 0.13 C ATOM 183 O ILE A 14 -5.365 0.128 7.762 1.00 0.17 O ATOM 184 CB ILE A 14 -2.021 -0.264 7.298 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.754 -0.823 7.945 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.167 1.205 7.660 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.515 -0.352 7.301 1.00 0.25 C ATOM 0 H ILE A 14 -2.318 -2.689 6.937 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.314 -0.841 8.904 1.00 0.13 H new ATOM 0 HB ILE A 14 -1.961 -0.367 6.215 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.741 -0.542 8.998 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.788 -1.912 7.906 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.309 1.760 7.281 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -3.080 1.600 7.215 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -2.216 1.309 8.744 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.369 -0.792 7.816 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.526 -0.656 6.254 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.573 0.735 7.364 1.00 0.25 H new ATOM 199 N VAL A 15 -4.722 -0.972 5.887 1.00 0.10 N ATOM 200 CA VAL A 15 -5.959 -0.743 5.125 1.00 0.11 C ATOM 201 C VAL A 15 -7.156 -1.255 5.929 1.00 0.12 C ATOM 202 O VAL A 15 -8.167 -0.597 6.018 1.00 0.17 O ATOM 203 CB VAL A 15 -5.918 -1.494 3.767 1.00 0.12 C ATOM 204 CG1 VAL A 15 -7.176 -1.239 2.959 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.717 -1.073 2.972 1.00 0.15 C ATOM 0 H VAL A 15 -4.006 -1.468 5.356 1.00 0.10 H new ATOM 0 HA VAL A 15 -6.053 0.327 4.940 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.855 -2.561 3.982 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -7.117 -1.778 2.014 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -8.045 -1.584 3.520 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.272 -0.171 2.762 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.703 -1.609 2.023 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.764 -0.001 2.783 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.811 -1.304 3.532 1.00 0.15 H new ATOM 215 N ASN A 16 -7.005 -2.439 6.488 1.00 0.11 N ATOM 216 CA ASN A 16 -7.997 -3.091 7.368 1.00 0.15 C ATOM 217 C ASN A 16 -8.408 -2.191 8.518 1.00 0.19 C ATOM 218 O ASN A 16 -9.586 -2.096 8.839 1.00 0.27 O ATOM 219 CB ASN A 16 -7.428 -4.411 7.929 1.00 0.18 C ATOM 220 CG ASN A 16 -7.692 -5.615 7.076 1.00 0.32 C ATOM 221 OD1 ASN A 16 -8.640 -6.353 7.307 1.00 0.85 O ATOM 222 ND2 ASN A 16 -6.925 -5.796 6.057 1.00 0.15 N ATOM 0 H ASN A 16 -6.168 -3.004 6.348 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.881 -3.297 6.764 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.351 -4.302 8.058 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -7.851 -4.583 8.919 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -7.101 -6.571 5.418 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -6.142 -5.164 5.890 1.00 0.15 H new ATOM 229 N GLU A 17 -7.441 -1.519 9.115 1.00 0.21 N ATOM 230 CA GLU A 17 -7.699 -0.643 10.241 1.00 0.29 C ATOM 231 C GLU A 17 -8.479 0.607 9.817 1.00 0.27 C ATOM 232 O GLU A 17 -9.547 0.907 10.380 1.00 0.39 O ATOM 233 CB GLU A 17 -6.380 -0.235 10.933 1.00 0.40 C ATOM 234 CG GLU A 17 -5.573 -1.413 11.455 1.00 0.51 C ATOM 235 CD GLU A 17 -4.280 -1.019 12.142 1.00 1.42 C ATOM 236 OE1 GLU A 17 -3.261 -0.780 11.454 1.00 2.35 O ATOM 237 OE2 GLU A 17 -4.253 -0.967 13.396 1.00 1.56 O ATOM 0 H GLU A 17 -6.461 -1.565 8.835 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.312 -1.200 10.950 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -5.769 0.328 10.227 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -6.607 0.434 11.763 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -6.187 -1.979 12.156 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -5.342 -2.079 10.624 1.00 0.51 H new ATOM 244 N ILE A 18 -7.990 1.308 8.804 1.00 0.21 N ATOM 245 CA ILE A 18 -8.591 2.595 8.455 1.00 0.22 C ATOM 246 C ILE A 18 -9.769 2.427 7.458 1.00 0.23 C ATOM 247 O ILE A 18 -10.879 2.889 7.723 1.00 0.28 O ATOM 248 CB ILE A 18 -7.567 3.506 7.767 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.157 3.385 8.358 1.00 0.24 C ATOM 250 CG2 ILE A 18 -8.033 4.954 7.908 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.113 4.081 7.535 1.00 0.27 C ATOM 0 H ILE A 18 -7.202 1.022 8.222 1.00 0.21 H new ATOM 0 HA ILE A 18 -8.942 3.028 9.392 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.507 3.196 6.724 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.155 3.802 9.365 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -5.897 2.330 8.449 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.315 5.616 7.424 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -9.009 5.070 7.437 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.108 5.211 8.965 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.138 3.959 8.006 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -5.090 3.648 6.535 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.352 5.142 7.466 1.00 0.27 H new ATOM 263 N ALA A 19 -9.529 1.775 6.316 1.00 0.21 N ATOM 264 CA ALA A 19 -10.606 1.572 5.322 1.00 0.26 C ATOM 265 C ALA A 19 -11.474 0.375 5.683 1.00 0.26 C ATOM 266 O ALA A 19 -12.690 0.490 5.817 1.00 0.44 O ATOM 267 CB ALA A 19 -10.047 1.398 3.910 1.00 0.28 C ATOM 0 H ALA A 19 -8.624 1.384 6.054 1.00 0.21 H new ATOM 0 HA ALA A 19 -11.222 2.471 5.339 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.869 1.251 3.209 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.485 2.288 3.629 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.388 0.530 3.884 1.00 0.28 H new ATOM 273 N GLY A 20 -10.847 -0.753 5.864 1.00 0.18 N ATOM 274 CA GLY A 20 -11.576 -1.944 6.170 1.00 0.22 C ATOM 275 C GLY A 20 -11.504 -2.982 5.075 1.00 0.18 C ATOM 276 O GLY A 20 -12.331 -3.894 5.042 1.00 0.27 O ATOM 0 H GLY A 20 -9.835 -0.870 5.805 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.188 -2.372 7.094 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.620 -1.687 6.351 1.00 0.22 H new ATOM 280 N ILE A 21 -10.543 -2.850 4.154 1.00 0.14 N ATOM 281 CA ILE A 21 -10.365 -3.867 3.139 1.00 0.15 C ATOM 282 C ILE A 21 -9.638 -5.010 3.756 1.00 0.16 C ATOM 283 O ILE A 21 -8.507 -4.829 4.154 1.00 0.17 O ATOM 284 CB ILE A 21 -9.547 -3.361 1.947 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.294 -2.225 1.293 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.305 -4.499 0.959 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.714 -2.602 0.979 1.00 0.25 C ATOM 0 H ILE A 21 -9.895 -2.064 4.098 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.349 -4.157 2.770 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.575 -3.001 2.285 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.285 -1.357 1.952 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.783 -1.934 0.375 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.723 -4.130 0.115 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.758 -5.301 1.455 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.262 -4.880 0.601 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.219 -1.758 0.509 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.722 -3.454 0.299 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.232 -2.868 1.900 1.00 0.25 H new ATOM 299 N PRO A 22 -10.265 -6.194 3.832 1.00 0.21 N ATOM 300 CA PRO A 22 -9.713 -7.355 4.533 1.00 0.24 C ATOM 301 C PRO A 22 -8.351 -7.794 4.023 1.00 0.21 C ATOM 302 O PRO A 22 -7.997 -7.568 2.857 1.00 0.21 O ATOM 303 CB PRO A 22 -10.754 -8.446 4.335 1.00 0.33 C ATOM 304 CG PRO A 22 -11.993 -7.738 3.945 1.00 0.33 C ATOM 305 CD PRO A 22 -11.564 -6.506 3.219 1.00 0.25 C ATOM 0 HA PRO A 22 -9.530 -7.118 5.581 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.444 -9.150 3.563 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.901 -9.020 5.250 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.616 -8.367 3.309 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.588 -7.484 4.822 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.472 -6.681 2.147 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.277 -5.692 3.349 1.00 0.25 H new ATOM 313 N VAL A 23 -7.604 -8.463 4.908 1.00 0.24 N ATOM 314 CA VAL A 23 -6.219 -8.829 4.643 1.00 0.29 C ATOM 315 C VAL A 23 -6.044 -9.748 3.440 1.00 0.35 C ATOM 316 O VAL A 23 -4.987 -9.778 2.838 1.00 0.51 O ATOM 317 CB VAL A 23 -5.467 -9.436 5.870 1.00 0.37 C ATOM 318 CG1 VAL A 23 -5.248 -8.401 6.949 1.00 0.84 C ATOM 319 CG2 VAL A 23 -6.209 -10.639 6.434 1.00 0.90 C ATOM 0 H VAL A 23 -7.945 -8.762 5.822 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.759 -7.868 4.412 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.492 -9.771 5.516 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.722 -8.856 7.788 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.652 -7.580 6.550 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -6.211 -8.019 7.288 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.660 -11.038 7.287 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -7.205 -10.334 6.754 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.294 -11.407 5.665 1.00 0.90 H new ATOM 329 N GLU A 24 -7.079 -10.490 3.093 1.00 0.37 N ATOM 330 CA GLU A 24 -6.982 -11.358 1.943 1.00 0.54 C ATOM 331 C GLU A 24 -7.631 -10.760 0.718 1.00 0.40 C ATOM 332 O GLU A 24 -7.485 -11.295 -0.383 1.00 0.46 O ATOM 333 CB GLU A 24 -7.555 -12.740 2.200 1.00 0.87 C ATOM 334 CG GLU A 24 -9.012 -12.767 2.595 1.00 1.32 C ATOM 335 CD GLU A 24 -9.578 -14.149 2.485 1.00 2.07 C ATOM 336 OE1 GLU A 24 -9.118 -15.056 3.198 1.00 2.99 O ATOM 337 OE2 GLU A 24 -10.458 -14.362 1.634 1.00 2.34 O ATOM 0 H GLU A 24 -7.975 -10.508 3.580 1.00 0.37 H new ATOM 0 HA GLU A 24 -5.914 -11.464 1.755 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -7.427 -13.342 1.300 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -6.972 -13.217 2.988 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -9.121 -12.407 3.618 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -9.577 -12.088 1.957 1.00 1.32 H new ATOM 344 N ASP A 25 -8.336 -9.650 0.885 1.00 0.30 N ATOM 345 CA ASP A 25 -9.005 -9.044 -0.243 1.00 0.25 C ATOM 346 C ASP A 25 -7.953 -8.278 -1.015 1.00 0.20 C ATOM 347 O ASP A 25 -7.937 -8.262 -2.264 1.00 0.20 O ATOM 348 CB ASP A 25 -10.144 -8.137 0.228 1.00 0.31 C ATOM 349 CG ASP A 25 -11.128 -7.807 -0.873 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.880 -8.713 -1.292 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.214 -6.649 -1.299 1.00 0.53 O ATOM 0 H ASP A 25 -8.455 -9.164 1.774 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.464 -9.797 -0.884 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -10.673 -8.623 1.048 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -9.725 -7.212 0.623 1.00 0.31 H new ATOM 356 N VAL A 26 -7.045 -7.673 -0.243 1.00 0.18 N ATOM 357 CA VAL A 26 -5.847 -7.035 -0.736 1.00 0.16 C ATOM 358 C VAL A 26 -4.930 -8.137 -1.265 1.00 0.16 C ATOM 359 O VAL A 26 -4.301 -8.864 -0.496 1.00 0.19 O ATOM 360 CB VAL A 26 -5.112 -6.310 0.439 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.805 -5.684 -0.011 1.00 0.16 C ATOM 362 CG2 VAL A 26 -5.992 -5.260 1.076 1.00 0.18 C ATOM 0 H VAL A 26 -7.138 -7.619 0.771 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.096 -6.309 -1.510 1.00 0.16 H new ATOM 0 HB VAL A 26 -4.885 -7.074 1.182 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.327 -5.191 0.836 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.145 -6.460 -0.399 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -4.003 -4.951 -0.793 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.451 -4.776 1.889 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.268 -4.515 0.330 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.893 -5.730 1.470 1.00 0.18 H new ATOM 372 N LYS A 27 -4.965 -8.345 -2.546 1.00 0.21 N ATOM 373 CA LYS A 27 -4.122 -9.341 -3.152 1.00 0.25 C ATOM 374 C LYS A 27 -2.951 -8.676 -3.825 1.00 0.44 C ATOM 375 O LYS A 27 -1.968 -8.395 -3.177 1.00 1.20 O ATOM 376 CB LYS A 27 -4.926 -10.265 -4.060 1.00 0.26 C ATOM 377 CG LYS A 27 -5.966 -11.093 -3.316 1.00 0.36 C ATOM 378 CD LYS A 27 -6.784 -11.946 -4.259 1.00 1.43 C ATOM 379 CE LYS A 27 -7.846 -12.744 -3.521 1.00 1.66 C ATOM 380 NZ LYS A 27 -8.684 -13.532 -4.451 1.00 2.03 N ATOM 0 H LYS A 27 -5.567 -7.840 -3.196 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.707 -9.994 -2.384 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.426 -9.667 -4.822 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.242 -10.936 -4.579 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -5.468 -11.732 -2.587 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.628 -10.430 -2.759 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -7.260 -11.309 -5.004 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -6.125 -12.628 -4.797 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -7.367 -13.414 -2.807 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -8.478 -12.066 -2.948 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -9.397 -14.063 -3.911 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -9.161 -12.891 -5.117 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -8.084 -14.197 -4.980 1.00 2.03 H new ATOM 394 N LEU A 28 -3.048 -8.388 -5.087 1.00 0.34 N ATOM 395 CA LEU A 28 -2.013 -7.581 -5.706 1.00 0.34 C ATOM 396 C LEU A 28 -2.561 -6.720 -6.833 1.00 0.32 C ATOM 397 O LEU A 28 -2.538 -5.505 -6.741 1.00 0.46 O ATOM 398 CB LEU A 28 -0.706 -8.377 -6.051 1.00 0.56 C ATOM 399 CG LEU A 28 -0.657 -9.285 -7.280 1.00 0.58 C ATOM 400 CD1 LEU A 28 -0.292 -8.475 -8.521 1.00 1.20 C ATOM 401 CD2 LEU A 28 0.344 -10.406 -7.058 1.00 1.12 C ATOM 0 H LEU A 28 -3.805 -8.684 -5.703 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.672 -6.876 -4.948 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.097 -7.648 -6.156 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.466 -8.993 -5.185 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.642 -9.725 -7.436 1.00 0.58 H new ATOM 0 HD11 LEU A 28 -0.261 -9.134 -9.389 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -1.040 -7.698 -8.682 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.685 -8.014 -8.380 1.00 1.20 H new ATOM 0 HD21 LEU A 28 0.372 -11.048 -7.938 1.00 1.12 H new ATOM 0 HD22 LEU A 28 1.333 -9.982 -6.886 1.00 1.12 H new ATOM 0 HD23 LEU A 28 0.046 -10.994 -6.190 1.00 1.12 H new ATOM 413 N ASP A 29 -3.173 -7.315 -7.821 1.00 0.34 N ATOM 414 CA ASP A 29 -3.703 -6.542 -8.960 1.00 0.46 C ATOM 415 C ASP A 29 -5.079 -6.017 -8.653 1.00 0.34 C ATOM 416 O ASP A 29 -5.870 -5.704 -9.535 1.00 0.56 O ATOM 417 CB ASP A 29 -3.683 -7.340 -10.273 1.00 0.79 C ATOM 418 CG ASP A 29 -4.520 -8.604 -10.292 1.00 1.41 C ATOM 419 OD1 ASP A 29 -4.189 -9.577 -9.573 1.00 2.12 O ATOM 420 OD2 ASP A 29 -5.491 -8.670 -11.067 1.00 1.85 O ATOM 0 H ASP A 29 -3.326 -8.322 -7.880 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.038 -5.691 -9.109 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -4.025 -6.688 -11.077 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -2.650 -7.608 -10.497 1.00 0.79 H new ATOM 425 N LYS A 30 -5.315 -5.836 -7.385 1.00 0.26 N ATOM 426 CA LYS A 30 -6.522 -5.323 -6.901 1.00 0.21 C ATOM 427 C LYS A 30 -6.284 -3.865 -6.657 1.00 0.22 C ATOM 428 O LYS A 30 -5.670 -3.501 -5.656 1.00 0.32 O ATOM 429 CB LYS A 30 -6.911 -5.959 -5.566 1.00 0.23 C ATOM 430 CG LYS A 30 -6.946 -7.481 -5.506 1.00 0.43 C ATOM 431 CD LYS A 30 -7.969 -8.073 -6.449 1.00 0.61 C ATOM 432 CE LYS A 30 -8.814 -9.134 -5.753 1.00 0.66 C ATOM 433 NZ LYS A 30 -9.562 -8.573 -4.599 1.00 1.38 N ATOM 0 H LYS A 30 -4.639 -6.055 -6.654 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.319 -5.521 -7.617 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -6.212 -5.607 -4.807 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.897 -5.587 -5.289 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -5.959 -7.874 -5.752 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -7.170 -7.796 -4.487 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -8.615 -7.283 -6.831 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -7.463 -8.514 -7.308 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -9.516 -9.565 -6.466 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -8.170 -9.944 -5.410 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.407 -9.152 -4.418 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -8.953 -8.576 -3.756 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -9.851 -7.597 -4.814 1.00 1.38 H new ATOM 447 N SER A 31 -6.600 -3.079 -7.628 1.00 0.20 N ATOM 448 CA SER A 31 -6.570 -1.636 -7.516 1.00 0.21 C ATOM 449 C SER A 31 -7.326 -1.213 -6.250 1.00 0.19 C ATOM 450 O SER A 31 -8.548 -1.365 -6.187 1.00 0.21 O ATOM 451 CB SER A 31 -7.257 -1.043 -8.747 1.00 0.26 C ATOM 452 OG SER A 31 -6.789 -1.675 -9.945 1.00 1.23 O ATOM 0 H SER A 31 -6.894 -3.414 -8.545 1.00 0.20 H new ATOM 0 HA SER A 31 -5.542 -1.280 -7.455 1.00 0.21 H new ATOM 0 HB2 SER A 31 -8.336 -1.168 -8.662 1.00 0.26 H new ATOM 0 HB3 SER A 31 -7.063 0.029 -8.796 1.00 0.26 H new ATOM 0 HG SER A 31 -7.242 -1.282 -10.720 1.00 1.23 H new ATOM 458 N PHE A 32 -6.582 -0.786 -5.227 1.00 0.21 N ATOM 459 CA PHE A 32 -7.147 -0.336 -3.951 1.00 0.20 C ATOM 460 C PHE A 32 -8.425 0.523 -4.117 1.00 0.23 C ATOM 461 O PHE A 32 -9.511 0.123 -3.661 1.00 0.28 O ATOM 462 CB PHE A 32 -6.108 0.435 -3.146 1.00 0.21 C ATOM 463 CG PHE A 32 -5.152 -0.404 -2.347 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.542 -0.932 -1.115 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.869 -0.653 -2.800 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.670 -1.687 -0.359 1.00 0.22 C ATOM 467 CE2 PHE A 32 -2.994 -1.401 -2.050 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.390 -1.923 -0.829 1.00 0.18 C ATOM 0 H PHE A 32 -5.563 -0.742 -5.260 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.437 -1.239 -3.413 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.532 1.057 -3.831 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.629 1.108 -2.465 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.541 -0.747 -0.749 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.552 -0.255 -3.753 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.984 -2.091 0.592 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -1.993 -1.583 -2.414 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.700 -2.514 -0.245 1.00 0.18 H new ATOM 478 N THR A 33 -8.282 1.677 -4.744 1.00 0.25 N ATOM 479 CA THR A 33 -9.361 2.603 -5.039 1.00 0.37 C ATOM 480 C THR A 33 -10.316 2.134 -6.180 1.00 0.37 C ATOM 481 O THR A 33 -10.752 2.954 -7.005 1.00 0.59 O ATOM 482 CB THR A 33 -8.713 3.926 -5.438 1.00 0.56 C ATOM 483 OG1 THR A 33 -7.565 3.629 -6.261 1.00 1.39 O ATOM 484 CG2 THR A 33 -8.263 4.701 -4.226 1.00 0.88 C ATOM 0 H THR A 33 -7.375 2.008 -5.075 1.00 0.25 H new ATOM 0 HA THR A 33 -9.986 2.683 -4.150 1.00 0.37 H new ATOM 0 HB THR A 33 -9.441 4.533 -5.977 1.00 0.56 H new ATOM 0 HG1 THR A 33 -7.132 4.465 -6.532 1.00 1.39 H new ATOM 0 HG21 THR A 33 -7.806 5.638 -4.543 1.00 0.88 H new ATOM 0 HG22 THR A 33 -9.122 4.913 -3.590 1.00 0.88 H new ATOM 0 HG23 THR A 33 -7.535 4.113 -3.667 1.00 0.88 H new ATOM 492 N ASP A 34 -10.688 0.859 -6.194 1.00 0.27 N ATOM 493 CA ASP A 34 -11.608 0.332 -7.218 1.00 0.29 C ATOM 494 C ASP A 34 -12.065 -1.061 -6.841 1.00 0.30 C ATOM 495 O ASP A 34 -13.237 -1.291 -6.556 1.00 0.46 O ATOM 496 CB ASP A 34 -10.927 0.268 -8.606 1.00 0.34 C ATOM 497 CG ASP A 34 -11.887 -0.083 -9.738 1.00 0.44 C ATOM 498 OD1 ASP A 34 -12.311 -1.257 -9.866 1.00 0.54 O ATOM 499 OD2 ASP A 34 -12.204 0.810 -10.552 1.00 0.59 O ATOM 0 H ASP A 34 -10.373 0.167 -5.514 1.00 0.27 H new ATOM 0 HA ASP A 34 -12.461 1.008 -7.270 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -10.463 1.231 -8.819 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -10.127 -0.472 -8.576 1.00 0.34 H new ATOM 504 N ASP A 35 -11.107 -1.972 -6.811 1.00 0.22 N ATOM 505 CA ASP A 35 -11.341 -3.391 -6.561 1.00 0.25 C ATOM 506 C ASP A 35 -11.755 -3.623 -5.162 1.00 0.28 C ATOM 507 O ASP A 35 -12.822 -4.165 -4.880 1.00 0.47 O ATOM 508 CB ASP A 35 -10.058 -4.179 -6.774 1.00 0.29 C ATOM 509 CG ASP A 35 -10.309 -5.663 -6.693 1.00 0.88 C ATOM 510 OD1 ASP A 35 -10.347 -6.208 -5.567 1.00 1.28 O ATOM 511 OD2 ASP A 35 -10.492 -6.315 -7.734 1.00 1.31 O ATOM 0 H ASP A 35 -10.124 -1.745 -6.962 1.00 0.22 H new ATOM 0 HA ASP A 35 -12.124 -3.712 -7.248 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.634 -3.932 -7.747 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.322 -3.891 -6.023 1.00 0.29 H new ATOM 516 N LEU A 36 -10.888 -3.213 -4.302 1.00 0.19 N ATOM 517 CA LEU A 36 -11.014 -3.423 -2.915 1.00 0.18 C ATOM 518 C LEU A 36 -12.126 -2.587 -2.368 1.00 0.22 C ATOM 519 O LEU A 36 -13.197 -3.116 -2.044 1.00 0.41 O ATOM 520 CB LEU A 36 -9.683 -3.079 -2.273 1.00 0.16 C ATOM 521 CG LEU A 36 -8.496 -3.876 -2.807 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.242 -3.554 -2.064 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.771 -5.343 -2.732 1.00 0.21 C ATOM 0 H LEU A 36 -10.043 -2.704 -4.563 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.262 -4.462 -2.698 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.487 -2.017 -2.421 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.760 -3.243 -1.198 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.355 -3.593 -3.850 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.418 -4.140 -2.471 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -7.019 -2.492 -2.169 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.372 -3.795 -1.009 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -7.913 -5.894 -3.117 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -8.949 -5.627 -1.695 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.652 -5.579 -3.329 1.00 0.21 H new ATOM 535 N ASP A 37 -11.827 -1.303 -2.277 1.00 0.21 N ATOM 536 CA ASP A 37 -12.701 -0.172 -1.862 1.00 0.31 C ATOM 537 C ASP A 37 -12.009 0.542 -0.754 1.00 0.32 C ATOM 538 O ASP A 37 -12.461 0.544 0.396 1.00 0.65 O ATOM 539 CB ASP A 37 -14.102 -0.546 -1.367 1.00 0.49 C ATOM 540 CG ASP A 37 -15.140 0.480 -1.758 1.00 0.82 C ATOM 541 OD1 ASP A 37 -15.331 1.462 -0.996 1.00 1.05 O ATOM 542 OD2 ASP A 37 -15.773 0.351 -2.824 1.00 1.24 O ATOM 0 H ASP A 37 -10.889 -0.975 -2.508 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.858 0.425 -2.760 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.382 -1.517 -1.775 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -14.086 -0.649 -0.282 1.00 0.49 H new ATOM 547 N VAL A 38 -10.866 1.067 -1.043 1.00 0.30 N ATOM 548 CA VAL A 38 -10.150 1.748 -0.038 1.00 0.32 C ATOM 549 C VAL A 38 -10.600 3.179 -0.079 1.00 0.38 C ATOM 550 O VAL A 38 -11.041 3.666 -1.121 1.00 0.52 O ATOM 551 CB VAL A 38 -8.599 1.654 -0.230 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.097 2.569 -1.329 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.850 1.897 1.068 1.00 0.79 C ATOM 0 H VAL A 38 -10.418 1.035 -1.959 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.355 1.288 0.929 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.393 0.631 -0.544 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -7.016 2.467 -1.422 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.570 2.298 -2.273 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.344 3.602 -1.083 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.777 1.822 0.889 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -8.087 2.892 1.444 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -8.147 1.151 1.805 1.00 0.79 H new ATOM 563 N ASP A 39 -10.496 3.848 0.993 1.00 0.47 N ATOM 564 CA ASP A 39 -10.827 5.180 1.019 1.00 0.61 C ATOM 565 C ASP A 39 -9.507 5.791 0.924 1.00 0.60 C ATOM 566 O ASP A 39 -8.768 5.728 1.875 1.00 1.08 O ATOM 567 CB ASP A 39 -11.475 5.499 2.348 1.00 0.82 C ATOM 568 CG ASP A 39 -11.983 6.902 2.458 1.00 1.49 C ATOM 569 OD1 ASP A 39 -13.049 7.195 1.913 1.00 1.92 O ATOM 570 OD2 ASP A 39 -11.277 7.754 3.048 1.00 2.28 O ATOM 0 H ASP A 39 -10.173 3.468 1.883 1.00 0.47 H new ATOM 0 HA ASP A 39 -11.524 5.510 0.248 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -12.304 4.810 2.511 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -10.752 5.322 3.144 1.00 0.82 H new ATOM 575 N SER A 40 -9.136 6.206 -0.258 1.00 0.38 N ATOM 576 CA SER A 40 -7.821 6.762 -0.589 1.00 0.37 C ATOM 577 C SER A 40 -7.232 7.825 0.410 1.00 0.32 C ATOM 578 O SER A 40 -6.095 8.258 0.265 1.00 0.37 O ATOM 579 CB SER A 40 -7.860 7.268 -2.023 1.00 0.56 C ATOM 580 OG SER A 40 -9.003 8.150 -2.221 1.00 0.75 O ATOM 0 H SER A 40 -9.760 6.170 -1.064 1.00 0.38 H new ATOM 0 HA SER A 40 -7.108 5.944 -0.483 1.00 0.37 H new ATOM 0 HB2 SER A 40 -6.937 7.801 -2.252 1.00 0.56 H new ATOM 0 HB3 SER A 40 -7.920 6.425 -2.711 1.00 0.56 H new ATOM 585 N LEU A 41 -7.966 8.158 1.437 1.00 0.31 N ATOM 586 CA LEU A 41 -7.524 9.078 2.435 1.00 0.32 C ATOM 587 C LEU A 41 -6.752 8.298 3.474 1.00 0.26 C ATOM 588 O LEU A 41 -5.784 8.799 4.051 1.00 0.36 O ATOM 589 CB LEU A 41 -8.714 9.778 3.062 1.00 0.39 C ATOM 590 CG LEU A 41 -9.647 10.460 2.070 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.808 11.112 2.800 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.898 11.497 1.240 1.00 0.77 C ATOM 0 H LEU A 41 -8.902 7.788 1.601 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.885 9.843 1.995 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.286 9.049 3.636 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.349 10.524 3.768 1.00 0.39 H new ATOM 0 HG LEU A 41 -10.037 9.699 1.394 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -11.466 11.595 2.078 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.366 10.353 3.348 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.426 11.857 3.499 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -9.587 11.969 0.540 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -8.475 12.255 1.900 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -8.096 11.009 0.686 1.00 0.77 H new ATOM 604 N SER A 42 -7.146 7.016 3.645 1.00 0.16 N ATOM 605 CA SER A 42 -6.500 6.127 4.563 1.00 0.19 C ATOM 606 C SER A 42 -5.170 5.809 4.040 1.00 0.15 C ATOM 607 O SER A 42 -4.254 5.566 4.786 1.00 0.15 O ATOM 608 CB SER A 42 -7.276 4.806 4.704 1.00 0.30 C ATOM 609 OG SER A 42 -7.509 4.168 3.467 1.00 0.71 O ATOM 0 H SER A 42 -7.924 6.594 3.138 1.00 0.16 H new ATOM 0 HA SER A 42 -6.449 6.615 5.536 1.00 0.19 H new ATOM 0 HB2 SER A 42 -6.719 4.132 5.355 1.00 0.30 H new ATOM 0 HB3 SER A 42 -8.231 5.002 5.191 1.00 0.30 H new ATOM 0 HG SER A 42 -8.219 4.640 2.984 1.00 0.71 H new ATOM 615 N MET A 43 -5.068 5.894 2.724 1.00 0.18 N ATOM 616 CA MET A 43 -3.920 5.501 2.005 1.00 0.21 C ATOM 617 C MET A 43 -2.734 6.273 2.466 1.00 0.18 C ATOM 618 O MET A 43 -1.684 5.740 2.581 1.00 0.21 O ATOM 619 CB MET A 43 -4.141 5.696 0.528 1.00 0.28 C ATOM 620 CG MET A 43 -3.058 5.084 -0.288 1.00 0.39 C ATOM 621 SD MET A 43 -2.916 3.323 0.038 1.00 0.42 S ATOM 622 CE MET A 43 -4.499 2.751 -0.549 1.00 0.34 C ATOM 0 H MET A 43 -5.817 6.252 2.131 1.00 0.18 H new ATOM 0 HA MET A 43 -3.733 4.443 2.189 1.00 0.21 H new ATOM 0 HB2 MET A 43 -5.098 5.259 0.245 1.00 0.28 H new ATOM 0 HB3 MET A 43 -4.200 6.762 0.309 1.00 0.28 H new ATOM 0 HG2 MET A 43 -3.261 5.245 -1.347 1.00 0.39 H new ATOM 0 HG3 MET A 43 -2.110 5.575 -0.067 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.548 1.665 -0.465 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.292 3.197 0.051 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.626 3.040 -1.592 1.00 0.34 H new ATOM 632 N VAL A 44 -2.955 7.512 2.808 1.00 0.19 N ATOM 633 CA VAL A 44 -1.908 8.366 3.298 1.00 0.22 C ATOM 634 C VAL A 44 -1.334 7.785 4.600 1.00 0.20 C ATOM 635 O VAL A 44 -0.120 7.621 4.731 1.00 0.35 O ATOM 636 CB VAL A 44 -2.440 9.792 3.507 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.338 10.726 3.983 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.039 10.296 2.209 1.00 0.49 C ATOM 0 H VAL A 44 -3.870 7.960 2.755 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.105 8.416 2.563 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.208 9.771 4.280 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -1.745 11.728 4.122 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -0.937 10.363 4.929 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.542 10.758 3.239 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.418 11.308 2.352 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.274 10.302 1.433 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -3.857 9.641 1.907 1.00 0.49 H new ATOM 648 N GLU A 45 -2.211 7.410 5.525 1.00 0.13 N ATOM 649 CA GLU A 45 -1.778 6.824 6.767 1.00 0.14 C ATOM 650 C GLU A 45 -1.238 5.411 6.528 1.00 0.16 C ATOM 651 O GLU A 45 -0.274 4.999 7.173 1.00 0.25 O ATOM 652 CB GLU A 45 -2.908 6.812 7.779 1.00 0.20 C ATOM 653 CG GLU A 45 -3.398 8.193 8.164 1.00 0.31 C ATOM 654 CD GLU A 45 -4.473 8.148 9.214 1.00 1.00 C ATOM 655 OE1 GLU A 45 -4.185 7.800 10.371 1.00 1.07 O ATOM 656 OE2 GLU A 45 -5.642 8.459 8.904 1.00 1.85 O ATOM 0 H GLU A 45 -3.222 7.505 5.429 1.00 0.13 H new ATOM 0 HA GLU A 45 -0.972 7.433 7.176 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.742 6.241 7.371 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.574 6.292 8.677 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -2.559 8.784 8.532 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -3.780 8.700 7.278 1.00 0.31 H new ATOM 663 N VAL A 46 -1.854 4.687 5.579 1.00 0.15 N ATOM 664 CA VAL A 46 -1.399 3.351 5.186 1.00 0.20 C ATOM 665 C VAL A 46 0.039 3.440 4.673 1.00 0.24 C ATOM 666 O VAL A 46 0.882 2.642 5.035 1.00 0.30 O ATOM 667 CB VAL A 46 -2.316 2.697 4.074 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.792 1.335 3.651 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.743 2.527 4.561 1.00 0.22 C ATOM 0 H VAL A 46 -2.675 5.012 5.068 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.457 2.713 6.068 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.297 3.377 3.223 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.446 0.915 2.887 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.785 1.442 3.248 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.769 0.670 4.514 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.345 2.075 3.773 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.753 1.882 5.440 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.157 3.501 4.821 1.00 0.22 H new ATOM 679 N VAL A 47 0.296 4.470 3.888 1.00 0.30 N ATOM 680 CA VAL A 47 1.567 4.746 3.284 1.00 0.51 C ATOM 681 C VAL A 47 2.572 5.055 4.331 1.00 0.37 C ATOM 682 O VAL A 47 3.537 4.354 4.427 1.00 0.31 O ATOM 683 CB VAL A 47 1.424 5.910 2.258 1.00 0.91 C ATOM 684 CG1 VAL A 47 2.741 6.532 1.939 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.804 5.396 0.975 1.00 0.96 C ATOM 0 H VAL A 47 -0.414 5.162 3.649 1.00 0.30 H new ATOM 0 HA VAL A 47 1.914 3.866 2.743 1.00 0.51 H new ATOM 0 HB VAL A 47 0.784 6.666 2.713 1.00 0.91 H new ATOM 0 HG11 VAL A 47 2.598 7.339 1.220 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.185 6.932 2.851 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.405 5.780 1.512 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.708 6.216 0.263 1.00 0.96 H new ATOM 0 HG22 VAL A 47 1.439 4.619 0.550 1.00 0.96 H new ATOM 0 HG23 VAL A 47 -0.182 4.982 1.188 1.00 0.96 H new ATOM 695 N VAL A 48 2.333 6.082 5.120 1.00 0.39 N ATOM 696 CA VAL A 48 3.253 6.475 6.186 1.00 0.39 C ATOM 697 C VAL A 48 3.588 5.287 7.083 1.00 0.30 C ATOM 698 O VAL A 48 4.751 5.047 7.415 1.00 0.37 O ATOM 699 CB VAL A 48 2.658 7.637 7.010 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.523 7.974 8.210 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.531 8.843 6.117 1.00 0.76 C ATOM 0 H VAL A 48 1.503 6.670 5.048 1.00 0.39 H new ATOM 0 HA VAL A 48 4.181 6.819 5.728 1.00 0.39 H new ATOM 0 HB VAL A 48 1.681 7.334 7.387 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.071 8.796 8.765 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.604 7.101 8.857 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.517 8.267 7.871 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.112 9.674 6.685 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.515 9.122 5.740 1.00 0.76 H new ATOM 0 HG23 VAL A 48 1.874 8.608 5.279 1.00 0.76 H new ATOM 711 N ALA A 49 2.587 4.495 7.382 1.00 0.20 N ATOM 712 CA ALA A 49 2.787 3.341 8.229 1.00 0.19 C ATOM 713 C ALA A 49 3.615 2.291 7.489 1.00 0.18 C ATOM 714 O ALA A 49 4.559 1.724 8.045 1.00 0.25 O ATOM 715 CB ALA A 49 1.457 2.772 8.693 1.00 0.22 C ATOM 0 H ALA A 49 1.630 4.626 7.054 1.00 0.20 H new ATOM 0 HA ALA A 49 3.336 3.647 9.119 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.634 1.905 9.329 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.914 3.530 9.257 1.00 0.22 H new ATOM 0 HB3 ALA A 49 0.867 2.472 7.827 1.00 0.22 H new ATOM 721 N ALA A 50 3.297 2.088 6.218 1.00 0.15 N ATOM 722 CA ALA A 50 4.012 1.157 5.364 1.00 0.18 C ATOM 723 C ALA A 50 5.443 1.606 5.161 1.00 0.18 C ATOM 724 O ALA A 50 6.358 0.806 5.230 1.00 0.20 O ATOM 725 CB ALA A 50 3.325 1.011 4.024 1.00 0.21 C ATOM 0 H ALA A 50 2.530 2.570 5.750 1.00 0.15 H new ATOM 0 HA ALA A 50 4.013 0.187 5.861 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.882 0.308 3.404 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.311 0.639 4.173 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.286 1.981 3.527 1.00 0.21 H new ATOM 731 N GLU A 51 5.629 2.889 4.939 1.00 0.20 N ATOM 732 CA GLU A 51 6.931 3.477 4.758 1.00 0.23 C ATOM 733 C GLU A 51 7.796 3.181 5.941 1.00 0.24 C ATOM 734 O GLU A 51 8.944 2.804 5.795 1.00 0.29 O ATOM 735 CB GLU A 51 6.863 4.991 4.619 1.00 0.23 C ATOM 736 CG GLU A 51 6.162 5.536 3.394 1.00 0.29 C ATOM 737 CD GLU A 51 6.176 7.060 3.373 1.00 0.36 C ATOM 738 OE1 GLU A 51 5.277 7.695 3.948 1.00 0.59 O ATOM 739 OE2 GLU A 51 7.119 7.652 2.817 1.00 0.73 O ATOM 0 H GLU A 51 4.864 3.561 4.879 1.00 0.20 H new ATOM 0 HA GLU A 51 7.341 3.047 3.844 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.363 5.390 5.501 1.00 0.23 H new ATOM 0 HB3 GLU A 51 7.882 5.378 4.627 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.648 5.154 2.496 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.132 5.180 3.375 1.00 0.29 H new ATOM 746 N GLU A 52 7.215 3.297 7.097 1.00 0.24 N ATOM 747 CA GLU A 52 7.953 3.170 8.330 1.00 0.30 C ATOM 748 C GLU A 52 8.179 1.733 8.756 1.00 0.28 C ATOM 749 O GLU A 52 9.132 1.439 9.467 1.00 0.41 O ATOM 750 CB GLU A 52 7.316 4.008 9.424 1.00 0.41 C ATOM 751 CG GLU A 52 7.410 5.486 9.120 1.00 1.14 C ATOM 752 CD GLU A 52 7.096 6.359 10.287 1.00 1.75 C ATOM 753 OE1 GLU A 52 5.922 6.717 10.490 1.00 2.26 O ATOM 754 OE2 GLU A 52 8.044 6.745 11.010 1.00 2.46 O ATOM 0 H GLU A 52 6.219 3.482 7.218 1.00 0.24 H new ATOM 0 HA GLU A 52 8.952 3.563 8.142 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.269 3.725 9.537 1.00 0.41 H new ATOM 0 HB3 GLU A 52 7.807 3.800 10.375 1.00 0.41 H new ATOM 0 HG2 GLU A 52 8.417 5.712 8.769 1.00 1.14 H new ATOM 0 HG3 GLU A 52 6.727 5.724 8.305 1.00 1.14 H new ATOM 761 N ARG A 53 7.312 0.848 8.334 1.00 0.21 N ATOM 762 CA ARG A 53 7.468 -0.560 8.656 1.00 0.23 C ATOM 763 C ARG A 53 8.324 -1.274 7.602 1.00 0.23 C ATOM 764 O ARG A 53 9.032 -2.230 7.899 1.00 0.32 O ATOM 765 CB ARG A 53 6.111 -1.237 8.783 1.00 0.25 C ATOM 766 CG ARG A 53 5.345 -1.319 7.492 1.00 0.23 C ATOM 767 CD ARG A 53 4.003 -1.943 7.673 1.00 0.34 C ATOM 768 NE ARG A 53 4.065 -3.329 8.145 1.00 0.86 N ATOM 769 CZ ARG A 53 3.072 -3.907 8.815 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.192 -3.144 9.477 1.00 1.08 N ATOM 771 NH2 ARG A 53 3.006 -5.229 8.915 1.00 1.72 N ATOM 0 H ARG A 53 6.492 1.069 7.769 1.00 0.21 H new ATOM 0 HA ARG A 53 7.981 -0.628 9.615 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.254 -2.245 9.173 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.513 -0.694 9.515 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.226 -0.318 7.078 1.00 0.23 H new ATOM 0 HG3 ARG A 53 5.918 -1.897 6.767 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.428 -1.350 8.384 1.00 0.34 H new ATOM 0 HD3 ARG A 53 3.466 -1.913 6.725 1.00 0.34 H new ATOM 0 HE ARG A 53 4.905 -3.874 7.951 1.00 0.86 H new ATOM 0 HH11 ARG A 53 2.287 -2.128 9.464 1.00 1.08 H new ATOM 0 HH12 ARG A 53 1.427 -3.579 9.993 1.00 1.08 H new ATOM 0 HH21 ARG A 53 3.720 -5.810 8.476 1.00 1.72 H new ATOM 0 HH22 ARG A 53 2.241 -5.664 9.431 1.00 1.72 H new ATOM 785 N PHE A 54 8.237 -0.807 6.366 1.00 0.17 N ATOM 786 CA PHE A 54 8.972 -1.406 5.275 1.00 0.19 C ATOM 787 C PHE A 54 10.289 -0.720 5.058 1.00 0.20 C ATOM 788 O PHE A 54 11.133 -1.214 4.312 1.00 0.28 O ATOM 789 CB PHE A 54 8.134 -1.466 3.985 1.00 0.19 C ATOM 790 CG PHE A 54 6.912 -2.344 4.103 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.024 -3.667 4.484 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.656 -1.845 3.810 1.00 0.27 C ATOM 793 CE1 PHE A 54 5.911 -4.475 4.568 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.539 -2.648 3.894 1.00 0.32 C ATOM 795 CZ PHE A 54 4.665 -3.947 4.368 1.00 0.34 C ATOM 0 H PHE A 54 7.660 -0.010 6.098 1.00 0.17 H new ATOM 0 HA PHE A 54 9.189 -2.436 5.557 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.822 -0.457 3.716 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.759 -1.834 3.171 1.00 0.19 H new ATOM 0 HD1 PHE A 54 7.997 -4.073 4.719 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.549 -0.813 3.511 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.022 -5.526 4.792 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.573 -2.270 3.593 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.785 -4.537 4.577 1.00 0.34 H new ATOM 805 N ASP A 55 10.448 0.439 5.702 1.00 0.19 N ATOM 806 CA ASP A 55 11.688 1.272 5.679 1.00 0.26 C ATOM 807 C ASP A 55 12.015 1.754 4.252 1.00 0.29 C ATOM 808 O ASP A 55 13.014 2.412 4.005 1.00 0.47 O ATOM 809 CB ASP A 55 12.876 0.489 6.292 1.00 0.36 C ATOM 810 CG ASP A 55 14.085 1.351 6.604 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.050 2.087 7.611 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.110 1.265 5.904 1.00 1.56 O ATOM 0 H ASP A 55 9.709 0.848 6.273 1.00 0.19 H new ATOM 0 HA ASP A 55 11.512 2.159 6.288 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.543 0.002 7.209 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.173 -0.300 5.601 1.00 0.36 H new ATOM 817 N VAL A 56 11.107 1.485 3.337 1.00 0.22 N ATOM 818 CA VAL A 56 11.324 1.748 1.937 1.00 0.29 C ATOM 819 C VAL A 56 10.982 3.188 1.589 1.00 0.25 C ATOM 820 O VAL A 56 11.694 3.838 0.831 1.00 0.34 O ATOM 821 CB VAL A 56 10.501 0.752 1.069 1.00 0.42 C ATOM 822 CG1 VAL A 56 9.030 0.805 1.408 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.709 0.998 -0.398 1.00 1.16 C ATOM 0 H VAL A 56 10.196 1.077 3.548 1.00 0.22 H new ATOM 0 HA VAL A 56 12.382 1.602 1.720 1.00 0.29 H new ATOM 0 HB VAL A 56 10.867 -0.248 1.301 1.00 0.42 H new ATOM 0 HG11 VAL A 56 8.487 0.097 0.783 1.00 0.93 H new ATOM 0 HG12 VAL A 56 8.889 0.545 2.457 1.00 0.93 H new ATOM 0 HG13 VAL A 56 8.651 1.811 1.229 1.00 0.93 H new ATOM 0 HG21 VAL A 56 10.119 0.285 -0.974 1.00 1.16 H new ATOM 0 HG22 VAL A 56 10.394 2.012 -0.645 1.00 1.16 H new ATOM 0 HG23 VAL A 56 11.765 0.876 -0.641 1.00 1.16 H new ATOM 833 N LYS A 57 9.914 3.666 2.181 1.00 0.20 N ATOM 834 CA LYS A 57 9.388 5.003 1.926 1.00 0.23 C ATOM 835 C LYS A 57 8.912 5.261 0.502 1.00 0.22 C ATOM 836 O LYS A 57 9.705 5.470 -0.434 1.00 0.31 O ATOM 837 CB LYS A 57 10.290 6.139 2.412 1.00 0.33 C ATOM 838 CG LYS A 57 9.996 6.579 3.817 1.00 0.72 C ATOM 839 CD LYS A 57 10.437 5.584 4.864 1.00 1.20 C ATOM 840 CE LYS A 57 10.046 6.054 6.263 1.00 1.08 C ATOM 841 NZ LYS A 57 10.631 7.370 6.608 1.00 1.48 N ATOM 0 H LYS A 57 9.372 3.137 2.864 1.00 0.20 H new ATOM 0 HA LYS A 57 8.492 5.009 2.547 1.00 0.23 H new ATOM 0 HB2 LYS A 57 11.330 5.818 2.350 1.00 0.33 H new ATOM 0 HB3 LYS A 57 10.179 6.992 1.742 1.00 0.33 H new ATOM 0 HG2 LYS A 57 10.491 7.532 4.002 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.924 6.751 3.919 1.00 0.72 H new ATOM 0 HD2 LYS A 57 9.984 4.613 4.662 1.00 1.20 H new ATOM 0 HD3 LYS A 57 11.517 5.449 4.810 1.00 1.20 H new ATOM 0 HE2 LYS A 57 8.960 6.115 6.331 1.00 1.08 H new ATOM 0 HE3 LYS A 57 10.370 5.314 6.994 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 10.508 7.549 7.625 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 11.645 7.371 6.377 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 10.152 8.116 6.065 1.00 1.48 H new ATOM 855 N ILE A 58 7.623 5.224 0.358 1.00 0.18 N ATOM 856 CA ILE A 58 6.939 5.624 -0.847 1.00 0.20 C ATOM 857 C ILE A 58 6.082 6.730 -0.379 1.00 0.22 C ATOM 858 O ILE A 58 5.174 6.455 0.353 1.00 0.34 O ATOM 859 CB ILE A 58 5.907 4.582 -1.413 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.389 3.137 -1.348 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.442 4.964 -2.826 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.288 2.540 0.045 1.00 0.52 C ATOM 0 H ILE A 58 6.993 4.906 1.094 1.00 0.18 H new ATOM 0 HA ILE A 58 7.684 5.810 -1.621 1.00 0.20 H new ATOM 0 HB ILE A 58 5.045 4.629 -0.747 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.802 2.533 -2.040 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.425 3.090 -1.683 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.729 4.223 -3.187 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.965 5.944 -2.800 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.302 4.997 -3.495 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.646 1.511 0.026 1.00 0.52 H new ATOM 0 HD12 ILE A 58 6.897 3.123 0.736 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.249 2.557 0.374 1.00 0.52 H new ATOM 874 N PRO A 59 6.365 7.972 -0.695 1.00 0.23 N ATOM 875 CA PRO A 59 5.489 9.062 -0.282 1.00 0.25 C ATOM 876 C PRO A 59 4.103 8.831 -0.879 1.00 0.19 C ATOM 877 O PRO A 59 4.015 8.315 -1.999 1.00 0.19 O ATOM 878 CB PRO A 59 6.131 10.301 -0.921 1.00 0.34 C ATOM 879 CG PRO A 59 7.539 9.906 -1.226 1.00 0.41 C ATOM 880 CD PRO A 59 7.529 8.426 -1.463 1.00 0.34 C ATOM 0 HA PRO A 59 5.379 9.153 0.799 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.601 10.595 -1.827 1.00 0.34 H new ATOM 0 HB3 PRO A 59 6.100 11.153 -0.242 1.00 0.34 H new ATOM 0 HG2 PRO A 59 7.908 10.436 -2.104 1.00 0.41 H new ATOM 0 HG3 PRO A 59 8.201 10.161 -0.398 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.430 8.188 -2.522 1.00 0.34 H new ATOM 0 HD3 PRO A 59 8.449 7.956 -1.115 1.00 0.34 H new ATOM 888 N ASP A 60 3.025 9.153 -0.145 1.00 0.21 N ATOM 889 CA ASP A 60 1.651 9.001 -0.691 1.00 0.26 C ATOM 890 C ASP A 60 1.526 9.592 -2.114 1.00 0.25 C ATOM 891 O ASP A 60 0.922 9.003 -2.975 1.00 0.35 O ATOM 892 CB ASP A 60 0.548 9.573 0.257 1.00 0.36 C ATOM 893 CG ASP A 60 0.687 11.064 0.527 1.00 0.65 C ATOM 894 OD1 ASP A 60 0.266 11.881 -0.323 1.00 0.95 O ATOM 895 OD2 ASP A 60 1.251 11.438 1.586 1.00 0.88 O ATOM 0 H ASP A 60 3.067 9.513 0.808 1.00 0.21 H new ATOM 0 HA ASP A 60 1.477 7.927 -0.758 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.431 9.382 -0.182 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.582 9.036 1.205 1.00 0.36 H new ATOM 900 N ASP A 61 2.211 10.678 -2.384 1.00 0.22 N ATOM 901 CA ASP A 61 2.147 11.309 -3.713 1.00 0.26 C ATOM 902 C ASP A 61 2.854 10.454 -4.780 1.00 0.27 C ATOM 903 O ASP A 61 2.590 10.562 -5.945 1.00 0.33 O ATOM 904 CB ASP A 61 2.717 12.732 -3.676 1.00 0.36 C ATOM 905 CG ASP A 61 2.606 13.443 -5.010 1.00 0.75 C ATOM 906 OD1 ASP A 61 1.502 13.908 -5.367 1.00 0.81 O ATOM 907 OD2 ASP A 61 3.621 13.570 -5.715 1.00 1.16 O ATOM 0 H ASP A 61 2.820 11.152 -1.717 1.00 0.22 H new ATOM 0 HA ASP A 61 1.096 11.376 -3.994 1.00 0.26 H new ATOM 0 HB2 ASP A 61 2.191 13.310 -2.916 1.00 0.36 H new ATOM 0 HB3 ASP A 61 3.764 12.692 -3.377 1.00 0.36 H new ATOM 912 N ASP A 62 3.712 9.589 -4.359 1.00 0.25 N ATOM 913 CA ASP A 62 4.421 8.689 -5.305 1.00 0.28 C ATOM 914 C ASP A 62 3.579 7.463 -5.495 1.00 0.26 C ATOM 915 O ASP A 62 3.469 6.903 -6.591 1.00 0.36 O ATOM 916 CB ASP A 62 5.815 8.287 -4.820 1.00 0.33 C ATOM 917 CG ASP A 62 6.571 7.519 -5.886 1.00 0.89 C ATOM 918 OD1 ASP A 62 7.074 8.129 -6.835 1.00 1.58 O ATOM 919 OD2 ASP A 62 6.665 6.275 -5.785 1.00 1.58 O ATOM 0 H ASP A 62 3.962 9.459 -3.379 1.00 0.25 H new ATOM 0 HA ASP A 62 4.565 9.227 -6.242 1.00 0.28 H new ATOM 0 HB2 ASP A 62 6.377 9.179 -4.544 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.727 7.675 -3.922 1.00 0.33 H new ATOM 924 N VAL A 63 2.913 7.118 -4.404 1.00 0.21 N ATOM 925 CA VAL A 63 2.016 5.990 -4.281 1.00 0.25 C ATOM 926 C VAL A 63 0.889 6.020 -5.314 1.00 0.24 C ATOM 927 O VAL A 63 0.259 5.018 -5.574 1.00 0.26 O ATOM 928 CB VAL A 63 1.513 5.773 -2.816 1.00 0.40 C ATOM 929 CG1 VAL A 63 0.054 6.164 -2.588 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.784 4.362 -2.377 1.00 0.73 C ATOM 0 H VAL A 63 2.991 7.649 -3.537 1.00 0.21 H new ATOM 0 HA VAL A 63 2.604 5.103 -4.517 1.00 0.25 H new ATOM 0 HB VAL A 63 2.084 6.460 -2.191 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.213 5.982 -1.547 1.00 0.51 H new ATOM 0 HG12 VAL A 63 -0.079 7.221 -2.817 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.588 5.568 -3.237 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.429 4.224 -1.356 1.00 0.73 H new ATOM 0 HG22 VAL A 63 1.264 3.669 -3.038 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.856 4.168 -2.418 1.00 0.73 H new ATOM 940 N LYS A 64 0.629 7.205 -5.882 1.00 0.29 N ATOM 941 CA LYS A 64 -0.363 7.357 -6.950 1.00 0.37 C ATOM 942 C LYS A 64 -0.028 6.445 -8.118 1.00 0.34 C ATOM 943 O LYS A 64 -0.906 5.967 -8.813 1.00 0.42 O ATOM 944 CB LYS A 64 -0.466 8.809 -7.471 1.00 0.51 C ATOM 945 CG LYS A 64 0.790 9.327 -8.133 1.00 0.58 C ATOM 946 CD LYS A 64 0.648 10.765 -8.597 1.00 0.72 C ATOM 947 CE LYS A 64 0.340 11.722 -7.444 1.00 0.61 C ATOM 948 NZ LYS A 64 0.540 13.135 -7.820 1.00 0.87 N ATOM 0 H LYS A 64 1.094 8.073 -5.618 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.324 7.085 -6.514 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.288 8.869 -8.184 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -0.719 9.464 -6.637 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.623 9.254 -7.433 1.00 0.58 H new ATOM 0 HG3 LYS A 64 1.035 8.695 -8.987 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.569 11.078 -9.089 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.147 10.827 -9.340 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -0.691 11.577 -7.120 1.00 0.61 H new ATOM 0 HE3 LYS A 64 0.978 11.481 -6.594 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 0.935 13.657 -7.012 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 1.198 13.191 -8.623 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.372 13.555 -8.090 1.00 0.87 H new ATOM 962 N ASN A 65 1.249 6.193 -8.296 1.00 0.30 N ATOM 963 CA ASN A 65 1.723 5.356 -9.380 1.00 0.36 C ATOM 964 C ASN A 65 1.546 3.911 -9.009 1.00 0.34 C ATOM 965 O ASN A 65 1.686 3.033 -9.837 1.00 0.56 O ATOM 966 CB ASN A 65 3.206 5.632 -9.698 1.00 0.49 C ATOM 967 CG ASN A 65 3.465 7.055 -10.140 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.368 7.385 -11.327 1.00 1.09 O ATOM 969 ND2 ASN A 65 3.822 7.898 -9.210 1.00 0.67 N ATOM 0 H ASN A 65 1.988 6.560 -7.697 1.00 0.30 H new ATOM 0 HA ASN A 65 1.139 5.588 -10.271 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.807 5.418 -8.814 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.536 4.949 -10.481 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.032 8.866 -9.453 1.00 0.67 H new ATOM 0 HD22 ASN A 65 3.891 7.589 -8.240 1.00 0.67 H new ATOM 976 N LEU A 66 1.175 3.680 -7.770 1.00 0.22 N ATOM 977 CA LEU A 66 1.049 2.350 -7.249 1.00 0.23 C ATOM 978 C LEU A 66 -0.380 2.090 -6.888 1.00 0.37 C ATOM 979 O LEU A 66 -0.642 1.459 -5.896 1.00 0.89 O ATOM 980 CB LEU A 66 1.859 2.196 -5.984 1.00 0.25 C ATOM 981 CG LEU A 66 3.327 2.625 -6.009 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.926 2.512 -4.635 1.00 0.41 C ATOM 983 CD2 LEU A 66 4.139 1.816 -6.981 1.00 0.31 C ATOM 0 H LEU A 66 0.953 4.415 -7.099 1.00 0.22 H new ATOM 0 HA LEU A 66 1.401 1.655 -8.012 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.360 2.763 -5.198 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.824 1.147 -5.692 1.00 0.25 H new ATOM 0 HG LEU A 66 3.351 3.664 -6.339 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.971 2.820 -4.667 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.379 3.155 -3.946 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.863 1.478 -4.295 1.00 0.41 H new ATOM 0 HD21 LEU A 66 5.174 2.157 -6.963 1.00 0.31 H new ATOM 0 HD22 LEU A 66 4.099 0.763 -6.701 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.734 1.940 -7.985 1.00 0.31 H new ATOM 995 N LYS A 67 -1.294 2.567 -7.711 1.00 0.26 N ATOM 996 CA LYS A 67 -2.761 2.383 -7.504 1.00 0.30 C ATOM 997 C LYS A 67 -3.186 0.915 -7.203 1.00 0.36 C ATOM 998 O LYS A 67 -4.316 0.658 -6.749 1.00 0.72 O ATOM 999 CB LYS A 67 -3.543 2.871 -8.714 1.00 0.45 C ATOM 1000 CG LYS A 67 -3.087 2.235 -10.016 1.00 1.06 C ATOM 1001 CD LYS A 67 -4.158 2.323 -11.105 1.00 1.55 C ATOM 1002 CE LYS A 67 -4.566 3.765 -11.422 1.00 1.97 C ATOM 1003 NZ LYS A 67 -3.466 4.556 -12.013 1.00 2.81 N ATOM 0 H LYS A 67 -1.064 3.098 -8.551 1.00 0.26 H new ATOM 0 HA LYS A 67 -2.994 2.977 -6.621 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.602 2.659 -8.564 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.443 3.954 -8.791 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -2.178 2.728 -10.361 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.835 1.189 -9.840 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -3.786 1.848 -12.013 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -5.038 1.763 -10.789 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -5.411 3.755 -12.111 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -4.906 4.251 -10.507 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -3.798 5.522 -12.207 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -2.668 4.591 -11.348 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -3.157 4.112 -12.901 1.00 2.81 H new ATOM 1017 N THR A 68 -2.335 -0.039 -7.507 1.00 0.21 N ATOM 1018 CA THR A 68 -2.631 -1.378 -7.178 1.00 0.19 C ATOM 1019 C THR A 68 -1.746 -1.875 -6.065 1.00 0.18 C ATOM 1020 O THR A 68 -0.646 -1.351 -5.837 1.00 0.25 O ATOM 1021 CB THR A 68 -2.561 -2.345 -8.364 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.295 -2.256 -9.031 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.665 -2.106 -9.346 1.00 0.22 C ATOM 0 H THR A 68 -1.442 0.105 -7.979 1.00 0.21 H new ATOM 0 HA THR A 68 -3.669 -1.364 -6.847 1.00 0.19 H new ATOM 0 HB THR A 68 -2.678 -3.349 -7.956 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.276 -2.885 -9.783 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.578 -2.813 -10.171 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.627 -2.242 -8.852 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.595 -1.089 -9.731 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.192 -2.920 -5.418 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.455 -3.517 -4.337 1.00 0.14 C ATOM 1033 C VAL A 69 -0.085 -4.005 -4.831 1.00 0.16 C ATOM 1034 O VAL A 69 0.950 -3.728 -4.227 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.196 -4.725 -3.781 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.454 -5.226 -2.595 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.636 -4.407 -3.426 1.00 0.15 C ATOM 0 H VAL A 69 -3.078 -3.381 -5.627 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.338 -2.757 -3.564 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.238 -5.495 -4.552 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.970 -6.093 -2.182 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.445 -5.512 -2.891 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.402 -4.441 -1.840 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -4.120 -5.301 -3.034 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.660 -3.621 -2.671 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.164 -4.069 -4.318 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.107 -4.720 -5.924 1.00 0.17 N ATOM 1048 CA GLY A 70 1.076 -5.317 -6.483 1.00 0.20 C ATOM 1049 C GLY A 70 2.001 -4.306 -7.088 1.00 0.16 C ATOM 1050 O GLY A 70 3.186 -4.562 -7.221 1.00 0.17 O ATOM 0 H GLY A 70 -0.956 -4.906 -6.457 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.604 -5.867 -5.704 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.788 -6.042 -7.244 1.00 0.20 H new ATOM 1054 N ASP A 71 1.468 -3.152 -7.440 1.00 0.15 N ATOM 1055 CA ASP A 71 2.288 -2.084 -7.989 1.00 0.16 C ATOM 1056 C ASP A 71 3.140 -1.568 -6.860 1.00 0.14 C ATOM 1057 O ASP A 71 4.369 -1.432 -6.982 1.00 0.15 O ATOM 1058 CB ASP A 71 1.424 -0.947 -8.478 1.00 0.21 C ATOM 1059 CG ASP A 71 2.066 -0.142 -9.606 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.146 0.447 -9.378 1.00 0.46 O ATOM 1061 OD2 ASP A 71 1.505 -0.031 -10.692 1.00 0.62 O ATOM 0 H ASP A 71 0.476 -2.928 -7.357 1.00 0.15 H new ATOM 0 HA ASP A 71 2.880 -2.459 -8.823 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.471 -1.347 -8.823 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.206 -0.280 -7.644 1.00 0.21 H new ATOM 1066 N ALA A 72 2.471 -1.327 -5.722 1.00 0.15 N ATOM 1067 CA ALA A 72 3.130 -0.906 -4.495 1.00 0.16 C ATOM 1068 C ALA A 72 4.132 -1.942 -4.094 1.00 0.15 C ATOM 1069 O ALA A 72 5.307 -1.655 -3.939 1.00 0.17 O ATOM 1070 CB ALA A 72 2.114 -0.768 -3.401 1.00 0.21 C ATOM 0 H ALA A 72 1.459 -1.421 -5.636 1.00 0.15 H new ATOM 0 HA ALA A 72 3.625 0.051 -4.661 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.609 -0.453 -2.482 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.371 -0.024 -3.687 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.623 -1.727 -3.238 1.00 0.21 H new ATOM 1076 N THR A 73 3.663 -3.165 -4.015 1.00 0.14 N ATOM 1077 CA THR A 73 4.454 -4.310 -3.622 1.00 0.16 C ATOM 1078 C THR A 73 5.664 -4.535 -4.559 1.00 0.18 C ATOM 1079 O THR A 73 6.665 -5.115 -4.164 1.00 0.28 O ATOM 1080 CB THR A 73 3.546 -5.569 -3.556 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.465 -5.306 -2.654 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.295 -6.794 -3.072 1.00 0.19 C ATOM 0 H THR A 73 2.693 -3.399 -4.228 1.00 0.14 H new ATOM 0 HA THR A 73 4.868 -4.116 -2.632 1.00 0.16 H new ATOM 0 HB THR A 73 3.186 -5.775 -4.564 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.786 -4.764 -3.107 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.617 -7.647 -3.043 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.120 -7.008 -3.752 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.688 -6.609 -2.072 1.00 0.19 H new ATOM 1090 N LYS A 74 5.588 -4.012 -5.759 1.00 0.15 N ATOM 1091 CA LYS A 74 6.660 -4.148 -6.712 1.00 0.18 C ATOM 1092 C LYS A 74 7.772 -3.200 -6.290 1.00 0.18 C ATOM 1093 O LYS A 74 8.907 -3.615 -6.028 1.00 0.26 O ATOM 1094 CB LYS A 74 6.160 -3.751 -8.100 1.00 0.23 C ATOM 1095 CG LYS A 74 6.891 -4.395 -9.264 1.00 0.39 C ATOM 1096 CD LYS A 74 6.535 -5.876 -9.388 1.00 1.21 C ATOM 1097 CE LYS A 74 5.021 -6.078 -9.576 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.498 -5.385 -10.783 1.00 2.01 N ATOM 0 H LYS A 74 4.785 -3.483 -6.100 1.00 0.15 H new ATOM 0 HA LYS A 74 7.018 -5.177 -6.744 1.00 0.18 H new ATOM 0 HB2 LYS A 74 5.102 -4.004 -8.173 1.00 0.23 H new ATOM 0 HB3 LYS A 74 6.236 -2.668 -8.199 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.635 -3.878 -10.189 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.967 -4.287 -9.126 1.00 0.39 H new ATOM 0 HD2 LYS A 74 7.069 -6.310 -10.233 1.00 1.21 H new ATOM 0 HD3 LYS A 74 6.866 -6.407 -8.495 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.807 -7.144 -9.652 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.497 -5.710 -8.694 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.503 -5.648 -10.930 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.568 -4.356 -10.650 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 5.057 -5.666 -11.614 1.00 2.01 H new ATOM 1112 N TYR A 75 7.388 -1.938 -6.120 1.00 0.15 N ATOM 1113 CA TYR A 75 8.293 -0.876 -5.781 1.00 0.16 C ATOM 1114 C TYR A 75 8.887 -1.100 -4.396 1.00 0.16 C ATOM 1115 O TYR A 75 10.090 -0.916 -4.166 1.00 0.18 O ATOM 1116 CB TYR A 75 7.519 0.450 -5.843 1.00 0.22 C ATOM 1117 CG TYR A 75 8.312 1.653 -5.434 1.00 0.26 C ATOM 1118 CD1 TYR A 75 9.457 2.024 -6.125 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.910 2.432 -4.369 1.00 0.32 C ATOM 1120 CE1 TYR A 75 10.168 3.139 -5.761 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.618 3.545 -4.000 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.798 3.853 -4.661 1.00 0.44 C ATOM 1123 OH TYR A 75 10.458 5.025 -4.338 1.00 0.50 O ATOM 0 H TYR A 75 6.420 -1.633 -6.219 1.00 0.15 H new ATOM 0 HA TYR A 75 9.123 -0.850 -6.487 1.00 0.16 H new ATOM 0 HB2 TYR A 75 7.158 0.598 -6.861 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.641 0.374 -5.201 1.00 0.22 H new ATOM 0 HD1 TYR A 75 9.793 1.427 -6.960 1.00 0.49 H new ATOM 0 HD2 TYR A 75 7.022 2.160 -3.817 1.00 0.32 H new ATOM 0 HE1 TYR A 75 11.021 3.451 -6.346 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.260 4.178 -3.201 1.00 0.37 H new ATOM 0 HH TYR A 75 10.067 5.407 -3.525 1.00 0.50 H new ATOM 1133 N ILE A 76 8.048 -1.527 -3.500 1.00 0.16 N ATOM 1134 CA ILE A 76 8.410 -1.746 -2.139 1.00 0.18 C ATOM 1135 C ILE A 76 9.369 -2.935 -1.982 1.00 0.21 C ATOM 1136 O ILE A 76 10.318 -2.847 -1.230 1.00 0.32 O ATOM 1137 CB ILE A 76 7.135 -1.907 -1.257 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.317 -0.625 -1.306 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.477 -2.273 0.178 1.00 0.28 C ATOM 1140 CD1 ILE A 76 5.012 -0.675 -0.547 1.00 0.21 C ATOM 0 H ILE A 76 7.071 -1.736 -3.704 1.00 0.16 H new ATOM 0 HA ILE A 76 8.953 -0.867 -1.791 1.00 0.18 H new ATOM 0 HB ILE A 76 6.545 -2.730 -1.661 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.921 0.190 -0.908 1.00 0.20 H new ATOM 0 HG13 ILE A 76 6.106 -0.385 -2.348 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.559 -2.375 0.756 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.022 -3.217 0.193 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.096 -1.490 0.616 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.500 0.283 -0.640 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.382 -1.464 -0.958 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.211 -0.880 0.505 1.00 0.21 H new ATOM 1152 N LEU A 77 9.140 -4.010 -2.721 1.00 0.19 N ATOM 1153 CA LEU A 77 9.953 -5.231 -2.580 1.00 0.23 C ATOM 1154 C LEU A 77 11.346 -5.014 -3.176 1.00 0.29 C ATOM 1155 O LEU A 77 12.353 -5.442 -2.616 1.00 0.34 O ATOM 1156 CB LEU A 77 9.251 -6.420 -3.263 1.00 0.23 C ATOM 1157 CG LEU A 77 9.535 -7.836 -2.712 1.00 0.34 C ATOM 1158 CD1 LEU A 77 8.598 -8.831 -3.358 1.00 0.92 C ATOM 1159 CD2 LEU A 77 10.972 -8.279 -2.942 1.00 0.87 C ATOM 0 H LEU A 77 8.404 -4.072 -3.424 1.00 0.19 H new ATOM 0 HA LEU A 77 10.064 -5.458 -1.520 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.176 -6.249 -3.211 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.525 -6.410 -4.318 1.00 0.23 H new ATOM 0 HG LEU A 77 9.372 -7.798 -1.635 1.00 0.34 H new ATOM 0 HD11 LEU A 77 8.801 -9.828 -2.968 1.00 0.92 H new ATOM 0 HD12 LEU A 77 7.567 -8.557 -3.136 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.750 -8.826 -4.437 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.114 -9.280 -2.535 1.00 0.87 H new ATOM 0 HD22 LEU A 77 11.183 -8.289 -4.011 1.00 0.87 H new ATOM 0 HD23 LEU A 77 11.650 -7.586 -2.445 1.00 0.87 H new ATOM 1171 N ASP A 78 11.403 -4.333 -4.297 1.00 0.33 N ATOM 1172 CA ASP A 78 12.683 -4.064 -4.971 1.00 0.41 C ATOM 1173 C ASP A 78 13.545 -3.096 -4.150 1.00 0.45 C ATOM 1174 O ASP A 78 14.779 -3.156 -4.138 1.00 0.53 O ATOM 1175 CB ASP A 78 12.428 -3.495 -6.367 1.00 0.43 C ATOM 1176 CG ASP A 78 13.699 -3.186 -7.118 1.00 0.52 C ATOM 1177 OD1 ASP A 78 14.335 -4.122 -7.662 1.00 0.68 O ATOM 1178 OD2 ASP A 78 14.087 -2.010 -7.184 1.00 0.54 O ATOM 0 H ASP A 78 10.587 -3.949 -4.773 1.00 0.33 H new ATOM 0 HA ASP A 78 13.227 -5.004 -5.063 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.837 -4.208 -6.942 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.834 -2.585 -6.280 1.00 0.43 H new ATOM 1183 N HIS A 79 12.883 -2.245 -3.425 1.00 0.41 N ATOM 1184 CA HIS A 79 13.537 -1.230 -2.621 1.00 0.47 C ATOM 1185 C HIS A 79 13.654 -1.628 -1.148 1.00 0.52 C ATOM 1186 O HIS A 79 14.057 -0.815 -0.317 1.00 0.74 O ATOM 1187 CB HIS A 79 12.849 0.117 -2.777 1.00 0.47 C ATOM 1188 CG HIS A 79 13.117 0.818 -4.073 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.635 2.085 -4.140 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.902 0.439 -5.348 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.727 2.453 -5.390 1.00 0.79 C ATOM 1192 NE2 HIS A 79 13.289 1.476 -6.142 1.00 0.67 N ATOM 0 H HIS A 79 11.865 -2.227 -3.367 1.00 0.41 H new ATOM 0 HA HIS A 79 14.556 -1.139 -2.998 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.773 -0.027 -2.675 1.00 0.47 H new ATOM 0 HB3 HIS A 79 13.163 0.765 -1.959 1.00 0.47 H new ATOM 0 HD2 HIS A 79 12.499 -0.507 -5.678 1.00 0.53 H new ATOM 0 HE1 HIS A 79 14.101 3.403 -5.743 1.00 0.79 H new ATOM 0 HE2 HIS A 79 13.244 1.489 -7.161 1.00 0.67 H new ATOM 1201 N GLN A 80 13.272 -2.864 -0.841 1.00 0.47 N ATOM 1202 CA GLN A 80 13.285 -3.404 0.532 1.00 0.52 C ATOM 1203 C GLN A 80 14.598 -3.236 1.269 1.00 0.62 C ATOM 1204 O GLN A 80 15.679 -3.183 0.666 1.00 0.89 O ATOM 1205 CB GLN A 80 12.923 -4.878 0.542 1.00 0.64 C ATOM 1206 CG GLN A 80 11.460 -5.133 0.489 1.00 0.53 C ATOM 1207 CD GLN A 80 10.765 -4.655 1.730 1.00 0.58 C ATOM 1208 OE1 GLN A 80 11.329 -4.668 2.823 1.00 1.07 O ATOM 1209 NE2 GLN A 80 9.589 -4.176 1.574 1.00 0.53 N ATOM 0 H GLN A 80 12.941 -3.531 -1.537 1.00 0.47 H new ATOM 0 HA GLN A 80 12.539 -2.809 1.059 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.399 -5.366 -0.308 1.00 0.64 H new ATOM 0 HB3 GLN A 80 13.331 -5.337 1.442 1.00 0.64 H new ATOM 0 HG2 GLN A 80 11.035 -4.632 -0.381 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.282 -6.201 0.361 1.00 0.53 H new ATOM 0 HE21 GLN A 80 9.154 -4.183 0.652 1.00 0.53 H new ATOM 0 HE22 GLN A 80 9.087 -3.787 2.372 1.00 0.53 H new ATOM 1218 N ALA A 81 14.486 -3.192 2.569 1.00 0.73 N ATOM 1219 CA ALA A 81 15.599 -3.085 3.458 1.00 0.89 C ATOM 1220 C ALA A 81 15.349 -4.023 4.620 1.00 1.93 C ATOM 1221 O ALA A 81 15.876 -5.154 4.619 1.00 2.48 O ATOM 1222 CB ALA A 81 15.750 -1.646 3.941 1.00 1.57 C ATOM 1223 OXT ALA A 81 14.559 -3.682 5.498 1.00 2.75 O ATOM 0 H ALA A 81 13.587 -3.231 3.049 1.00 0.73 H new ATOM 0 HA ALA A 81 16.525 -3.358 2.952 1.00 0.89 H new ATOM 0 HB1 ALA A 81 16.602 -1.577 4.618 1.00 1.57 H new ATOM 0 HB2 ALA A 81 15.912 -0.990 3.086 1.00 1.57 H new ATOM 0 HB3 ALA A 81 14.844 -1.341 4.465 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -8.889 9.442 -3.157 1.00 0.86 P HETATM 1231 O26 SXH A 101 -9.415 10.578 -2.375 1.00 1.13 O HETATM 1232 O23 SXH A 101 -9.568 9.122 -4.449 1.00 1.10 O HETATM 1233 O27 SXH A 101 -7.350 9.690 -3.525 1.00 0.87 O HETATM 1234 C28 SXH A 101 -6.324 9.922 -2.472 1.00 0.52 C HETATM 1235 C29 SXH A 101 -5.793 11.349 -2.408 1.00 0.73 C HETATM 1236 C30 SXH A 101 -5.437 11.806 -3.807 1.00 1.22 C HETATM 1237 C31 SXH A 101 -6.867 12.242 -1.852 1.00 1.14 C HETATM 1238 C32 SXH A 101 -4.548 11.392 -1.402 1.00 1.23 C HETATM 1239 O33 SXH A 101 -5.010 11.125 -0.082 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.562 10.279 -1.739 1.00 1.30 C HETATM 1241 O35 SXH A 101 -3.518 9.257 -1.033 1.00 2.26 O HETATM 1242 N36 SXH A 101 -2.834 10.452 -2.793 1.00 0.83 N HETATM 1243 C37 SXH A 101 -1.891 9.516 -3.307 1.00 1.02 C HETATM 1244 C38 SXH A 101 -2.267 9.149 -4.723 1.00 1.13 C HETATM 1245 C39 SXH A 101 -3.583 8.444 -4.803 1.00 0.88 C HETATM 1246 O40 SXH A 101 -4.451 8.756 -5.626 1.00 1.41 O HETATM 1247 N41 SXH A 101 -3.708 7.510 -3.931 1.00 0.55 N HETATM 1248 C42 SXH A 101 -4.867 6.684 -3.760 1.00 0.93 C HETATM 1249 C43 SXH A 101 -4.507 5.265 -3.924 1.00 0.65 C HETATM 1250 S1 SXH A 101 -2.903 5.058 -3.354 1.00 1.15 S HETATM 1251 C1 SXH A 101 -2.687 3.385 -3.721 1.00 0.81 C HETATM 1252 O1 SXH A 101 -3.526 2.671 -4.293 1.00 1.38 O HETATM 1253 C2 SXH A 101 -1.345 2.860 -3.272 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.398 1.467 -2.709 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.136 1.099 -1.945 1.00 0.62 C HETATM 1256 C5 SXH A 101 0.033 1.905 -0.662 1.00 0.60 C HETATM 1257 C6 SXH A 101 1.342 1.548 0.000 1.00 0.67 C HETATM 0 HO33 SXH A 101 -5.223 10.172 0.003 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -2.918 7.342 -3.309 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -2.944 11.331 -3.298 1.00 0.83 H new HETATM 0 H43A SXH A 101 -5.195 4.630 -3.366 1.00 0.65 H new HETATM 0 H42A SXH A 101 -5.296 6.846 -2.771 1.00 0.93 H new HETATM 0 H38A SXH A 101 -2.306 10.053 -5.331 1.00 1.13 H new HETATM 0 H37A SXH A 101 -0.889 9.944 -3.285 1.00 1.02 H new HETATM 0 H31B SXH A 101 -7.743 12.203 -2.499 1.00 1.14 H new HETATM 0 H31A SXH A 101 -7.139 11.905 -0.852 1.00 1.14 H new HETATM 0 H30B SXH A 101 -4.673 11.148 -4.221 1.00 1.22 H new HETATM 0 H30A SXH A 101 -6.325 11.773 -4.438 1.00 1.22 H new HETATM 0 H28A SXH A 101 -6.752 9.663 -1.503 1.00 0.52 H new HETATM 0 H6B SXH A 101 1.350 0.485 0.240 1.00 0.67 H new HETATM 0 H6A SXH A 101 2.166 1.774 -0.677 1.00 0.67 H new HETATM 0 H6 SXH A 101 1.456 2.128 0.916 1.00 0.67 H new HETATM 0 H5A SXH A 101 0.008 2.971 -0.886 1.00 0.60 H new HETATM 0 H5 SXH A 101 -0.795 1.702 0.017 1.00 0.60 H new HETATM 0 H4A SXH A 101 -0.161 0.037 -1.701 1.00 0.62 H new HETATM 0 H43 SXH A 101 -4.581 4.971 -4.971 1.00 0.65 H new HETATM 0 H42 SXH A 101 -5.630 6.960 -4.488 1.00 0.93 H new HETATM 0 H4 SXH A 101 0.731 1.259 -2.586 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.259 1.379 -2.046 1.00 0.46 H new HETATM 0 H38 SXH A 101 -1.491 8.512 -5.148 1.00 1.13 H new HETATM 0 H37 SXH A 101 -1.871 8.623 -2.682 1.00 1.02 H new HETATM 0 H32 SXH A 101 -4.076 12.371 -1.483 1.00 1.23 H new HETATM 0 H31 SXH A 101 -6.498 13.266 -1.801 1.00 1.14 H new HETATM 0 H30 SXH A 101 -5.056 12.827 -3.770 1.00 1.22 H new HETATM 0 H3 SXH A 101 -1.547 0.756 -3.521 1.00 0.46 H new HETATM 0 H2A SXH A 101 -0.658 2.874 -4.118 1.00 0.61 H new HETATM 0 H28 SXH A 101 -5.488 9.244 -2.642 1.00 0.52 H new HETATM 0 H2 SXH A 101 -0.936 3.532 -2.517 1.00 0.61 H new