USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 63 TYR OH : rot 180:sc= 0.776 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 154:sc= 0.885 (180deg=0) USER MOD Set 2.1: A 42 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.7!) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.073) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 49:sc= 0.172 USER MOD Single : A 20 THR OG1 : rot 180:sc= -3! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.224 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 96:sc= -0.473 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.036) USER MOD Single : A 49 THR OG1 : rot 24:sc= 0.426 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00686 USER MOD Single : A 52 SER OG : rot 179:sc= 1.45 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.705 (180deg=0.647) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.46) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -90:sc= -2.44! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 13.650 9.667 4.179 1.00 2.87 N ATOM 28 CA GLN A 3 12.714 9.761 3.064 1.00 2.29 C ATOM 29 C GLN A 3 12.154 8.390 2.705 1.00 1.97 C ATOM 30 O GLN A 3 12.902 7.443 2.461 1.00 2.17 O ATOM 31 CB GLN A 3 13.395 10.373 1.841 1.00 2.41 C ATOM 32 CG GLN A 3 14.261 11.579 2.162 1.00 3.17 C ATOM 33 CD GLN A 3 14.722 12.313 0.918 1.00 3.60 C ATOM 34 OE1 GLN A 3 14.374 13.474 0.703 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.510 11.635 0.089 1.00 4.47 N ATOM 0 HA GLN A 3 11.891 10.405 3.375 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.011 9.612 1.361 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.632 10.667 1.120 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.701 12.265 2.798 1.00 3.17 H new ATOM 0 HG3 GLN A 3 15.132 11.255 2.732 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.773 10.674 0.307 1.00 4.47 H new ATOM 0 HE22 GLN A 3 15.851 12.076 -0.765 1.00 4.47 H new ATOM 44 N VAL A 4 10.831 8.294 2.675 1.00 1.57 N ATOM 45 CA VAL A 4 10.159 7.044 2.347 1.00 1.29 C ATOM 46 C VAL A 4 8.934 7.291 1.480 1.00 1.28 C ATOM 47 O VAL A 4 8.257 8.310 1.620 1.00 1.44 O ATOM 48 CB VAL A 4 9.723 6.283 3.613 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.934 5.906 4.448 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.740 7.111 4.424 1.00 1.57 C ATOM 0 H VAL A 4 10.200 9.070 2.875 1.00 1.57 H new ATOM 0 HA VAL A 4 10.880 6.439 1.798 1.00 1.29 H new ATOM 0 HB VAL A 4 9.219 5.365 3.309 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.609 5.369 5.339 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.596 5.269 3.862 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.468 6.809 4.744 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.444 6.556 5.314 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.211 8.048 4.721 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.858 7.324 3.820 1.00 1.57 H new ATOM 60 N VAL A 5 8.639 6.346 0.599 1.00 1.14 N ATOM 61 CA VAL A 5 7.480 6.458 -0.268 1.00 1.22 C ATOM 62 C VAL A 5 6.319 5.692 0.345 1.00 1.03 C ATOM 63 O VAL A 5 6.442 4.516 0.685 1.00 0.92 O ATOM 64 CB VAL A 5 7.761 5.919 -1.684 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.917 6.672 -2.320 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.045 4.422 -1.654 1.00 1.70 C ATOM 0 H VAL A 5 9.186 5.495 0.467 1.00 1.14 H new ATOM 0 HA VAL A 5 7.234 7.516 -0.361 1.00 1.22 H new ATOM 0 HB VAL A 5 6.869 6.079 -2.290 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.102 6.278 -3.319 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.668 7.731 -2.387 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.812 6.548 -1.710 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.240 4.068 -2.666 1.00 1.70 H new ATOM 0 HG22 VAL A 5 8.917 4.229 -1.028 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.182 3.896 -1.246 1.00 1.70 H new ATOM 76 N GLN A 6 5.205 6.381 0.527 1.00 1.03 N ATOM 77 CA GLN A 6 4.039 5.778 1.144 1.00 0.85 C ATOM 78 C GLN A 6 2.976 5.413 0.124 1.00 0.83 C ATOM 79 O GLN A 6 2.782 6.112 -0.870 1.00 0.94 O ATOM 80 CB GLN A 6 3.454 6.731 2.184 1.00 0.83 C ATOM 81 CG GLN A 6 4.447 7.121 3.263 1.00 1.45 C ATOM 82 CD GLN A 6 4.486 8.617 3.511 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.421 9.069 4.654 1.00 2.26 O ATOM 84 NE2 GLN A 6 4.593 9.392 2.439 1.00 2.01 N ATOM 0 H GLN A 6 5.085 7.357 0.256 1.00 1.03 H new ATOM 0 HA GLN A 6 4.362 4.855 1.625 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.099 7.632 1.683 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.587 6.263 2.649 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.189 6.610 4.190 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.441 6.778 2.977 1.00 1.45 H new ATOM 0 HE21 GLN A 6 4.644 8.974 1.510 1.00 2.01 H new ATOM 0 HE22 GLN A 6 4.624 10.406 2.544 1.00 2.01 H new ATOM 93 N PHE A 7 2.272 4.321 0.396 1.00 0.74 N ATOM 94 CA PHE A 7 1.209 3.868 -0.473 1.00 0.78 C ATOM 95 C PHE A 7 -0.126 4.338 0.092 1.00 0.62 C ATOM 96 O PHE A 7 -0.395 4.193 1.291 1.00 0.55 O ATOM 97 CB PHE A 7 1.244 2.341 -0.609 1.00 0.86 C ATOM 98 CG PHE A 7 -0.015 1.759 -1.182 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.423 2.085 -2.464 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.794 0.899 -0.430 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.587 1.560 -2.987 1.00 1.29 C ATOM 102 CE2 PHE A 7 -1.959 0.372 -0.946 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.358 0.702 -2.227 1.00 1.29 C ATOM 0 H PHE A 7 2.424 3.735 1.217 1.00 0.74 H new ATOM 0 HA PHE A 7 1.342 4.290 -1.469 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.085 2.060 -1.243 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.424 1.901 0.372 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.176 2.757 -3.061 1.00 1.14 H new ATOM 0 HD2 PHE A 7 -0.487 0.637 0.572 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -1.895 1.820 -3.989 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.559 -0.298 -0.349 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.270 0.290 -2.633 1.00 1.29 H new ATOM 113 N LYS A 8 -0.936 4.932 -0.774 1.00 0.60 N ATOM 114 CA LYS A 8 -2.231 5.467 -0.382 1.00 0.54 C ATOM 115 C LYS A 8 -3.360 4.829 -1.184 1.00 0.68 C ATOM 116 O LYS A 8 -3.254 4.663 -2.399 1.00 0.77 O ATOM 117 CB LYS A 8 -2.226 6.981 -0.595 1.00 0.61 C ATOM 118 CG LYS A 8 -3.572 7.653 -0.376 1.00 1.40 C ATOM 119 CD LYS A 8 -3.561 9.105 -0.851 1.00 2.22 C ATOM 120 CE LYS A 8 -2.312 9.850 -0.395 1.00 1.88 C ATOM 121 NZ LYS A 8 -2.488 11.327 -0.462 1.00 2.42 N ATOM 0 H LYS A 8 -0.715 5.056 -1.762 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.403 5.237 0.670 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -1.497 7.428 0.081 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.890 7.191 -1.610 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -4.346 7.101 -0.910 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.828 7.618 0.683 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -3.620 9.130 -1.939 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -4.446 9.616 -0.472 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -2.070 9.560 0.627 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -1.467 9.557 -1.018 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -1.616 11.795 -0.143 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -2.694 11.608 -1.442 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -3.278 11.611 0.153 1.00 2.42 H new ATOM 135 N LEU A 9 -4.445 4.480 -0.496 1.00 0.86 N ATOM 136 CA LEU A 9 -5.603 3.867 -1.144 1.00 1.06 C ATOM 137 C LEU A 9 -5.986 4.649 -2.399 1.00 1.74 C ATOM 138 O LEU A 9 -6.384 5.811 -2.320 1.00 2.24 O ATOM 139 CB LEU A 9 -6.780 3.817 -0.159 1.00 1.28 C ATOM 140 CG LEU A 9 -8.017 3.032 -0.621 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.685 3.716 -1.804 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.660 1.595 -0.956 1.00 1.96 C ATOM 0 H LEU A 9 -4.547 4.611 0.510 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.348 2.850 -1.442 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.427 3.381 0.775 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.086 4.840 0.062 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.728 3.015 0.205 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.558 3.140 -2.112 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.996 4.720 -1.516 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.981 3.778 -2.634 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.555 1.064 -1.280 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.920 1.581 -1.756 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.248 1.107 -0.073 1.00 1.96 H new ATOM 154 N SER A 10 -5.853 4.009 -3.556 1.00 2.11 N ATOM 155 CA SER A 10 -6.174 4.656 -4.824 1.00 2.83 C ATOM 156 C SER A 10 -7.001 3.741 -5.721 1.00 2.93 C ATOM 157 O SER A 10 -6.463 2.866 -6.400 1.00 3.26 O ATOM 158 CB SER A 10 -4.890 5.069 -5.546 1.00 3.76 C ATOM 159 OG SER A 10 -3.947 4.011 -5.555 1.00 4.49 O ATOM 0 H SER A 10 -5.526 3.047 -3.642 1.00 2.11 H new ATOM 0 HA SER A 10 -6.767 5.544 -4.605 1.00 2.83 H new ATOM 0 HB2 SER A 10 -5.123 5.362 -6.570 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.458 5.941 -5.056 1.00 3.76 H new ATOM 0 HG SER A 10 -4.384 3.186 -5.854 1.00 4.49 H new ATOM 165 N ASP A 11 -8.310 3.959 -5.724 1.00 3.22 N ATOM 166 CA ASP A 11 -9.221 3.164 -6.546 1.00 3.68 C ATOM 167 C ASP A 11 -10.611 3.791 -6.560 1.00 3.44 C ATOM 168 O ASP A 11 -11.272 3.831 -7.598 1.00 4.01 O ATOM 169 CB ASP A 11 -9.308 1.703 -6.065 1.00 4.18 C ATOM 170 CG ASP A 11 -8.609 1.448 -4.739 1.00 4.90 C ATOM 171 OD1 ASP A 11 -7.371 1.286 -4.740 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.302 1.406 -3.703 1.00 5.24 O ATOM 0 H ASP A 11 -8.768 4.680 -5.166 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.817 3.156 -7.559 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -10.357 1.424 -5.971 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -8.872 1.054 -6.825 1.00 4.18 H new ATOM 177 N ILE A 12 -11.047 4.289 -5.406 1.00 2.82 N ATOM 178 CA ILE A 12 -12.354 4.922 -5.297 1.00 2.70 C ATOM 179 C ILE A 12 -12.217 6.400 -4.943 1.00 2.96 C ATOM 180 O ILE A 12 -11.128 6.871 -4.616 1.00 3.29 O ATOM 181 CB ILE A 12 -13.245 4.226 -4.249 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.414 3.777 -3.035 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.980 3.050 -4.881 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.706 2.446 -3.215 1.00 1.97 C ATOM 0 H ILE A 12 -10.514 4.266 -4.536 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.831 4.826 -6.272 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.987 4.940 -3.893 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.670 4.543 -2.816 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.069 3.711 -2.166 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.606 2.567 -4.131 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.605 3.409 -5.699 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.255 2.332 -5.266 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.144 2.207 -2.312 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.443 1.664 -3.401 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -11.022 2.509 -4.061 1.00 1.97 H new ATOM 196 N GLY A 13 -13.325 7.132 -5.020 1.00 3.15 N ATOM 197 CA GLY A 13 -13.299 8.552 -4.714 1.00 3.67 C ATOM 198 C GLY A 13 -13.532 8.846 -3.245 1.00 3.84 C ATOM 199 O GLY A 13 -13.879 7.954 -2.471 1.00 3.63 O ATOM 0 H GLY A 13 -14.239 6.768 -5.288 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.336 8.965 -5.013 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.061 9.060 -5.306 1.00 3.67 H new ATOM 203 N GLU A 14 -13.338 10.106 -2.862 1.00 4.49 N ATOM 204 CA GLU A 14 -13.525 10.527 -1.478 1.00 4.81 C ATOM 205 C GLU A 14 -14.990 10.839 -1.194 1.00 4.15 C ATOM 206 O GLU A 14 -15.447 11.964 -1.395 1.00 4.04 O ATOM 207 CB GLU A 14 -12.667 11.757 -1.177 1.00 5.76 C ATOM 208 CG GLU A 14 -11.382 11.431 -0.437 1.00 6.16 C ATOM 209 CD GLU A 14 -10.163 12.061 -1.082 1.00 7.04 C ATOM 210 OE1 GLU A 14 -9.910 11.780 -2.272 1.00 7.72 O ATOM 211 OE2 GLU A 14 -9.463 12.836 -0.397 1.00 7.20 O ATOM 0 H GLU A 14 -13.051 10.854 -3.493 1.00 4.49 H new ATOM 0 HA GLU A 14 -13.215 9.705 -0.832 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.421 12.257 -2.114 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -13.250 12.461 -0.584 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -11.463 11.776 0.594 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -11.252 10.349 -0.401 1.00 6.16 H new ATOM 218 N GLY A 15 -15.720 9.834 -0.723 1.00 3.81 N ATOM 219 CA GLY A 15 -17.126 10.016 -0.416 1.00 3.32 C ATOM 220 C GLY A 15 -17.905 8.721 -0.509 1.00 2.93 C ATOM 221 O GLY A 15 -18.807 8.471 0.291 1.00 3.13 O ATOM 0 H GLY A 15 -15.362 8.895 -0.548 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -17.226 10.427 0.589 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.554 10.746 -1.103 1.00 3.32 H new ATOM 225 N ILE A 16 -17.554 7.895 -1.487 1.00 2.53 N ATOM 226 CA ILE A 16 -18.222 6.617 -1.682 1.00 2.22 C ATOM 227 C ILE A 16 -17.640 5.549 -0.762 1.00 1.91 C ATOM 228 O ILE A 16 -16.849 5.851 0.132 1.00 1.88 O ATOM 229 CB ILE A 16 -18.117 6.145 -3.147 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.679 5.744 -3.487 1.00 2.32 C ATOM 231 CG2 ILE A 16 -18.601 7.237 -4.089 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.556 4.319 -3.975 1.00 2.22 C ATOM 0 H ILE A 16 -16.810 8.089 -2.157 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.274 6.765 -1.436 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.753 5.269 -3.272 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -16.292 6.417 -4.252 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -16.054 5.873 -2.603 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -18.521 6.890 -5.119 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -19.641 7.476 -3.866 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.988 8.129 -3.958 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.512 4.100 -4.198 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.913 3.638 -3.202 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -17.155 4.190 -4.877 1.00 2.22 H new ATOM 244 N ARG A 17 -18.030 4.301 -0.990 1.00 1.82 N ATOM 245 CA ARG A 17 -17.541 3.190 -0.186 1.00 1.64 C ATOM 246 C ARG A 17 -16.029 3.054 -0.321 1.00 1.22 C ATOM 247 O ARG A 17 -15.451 3.419 -1.343 1.00 1.14 O ATOM 248 CB ARG A 17 -18.221 1.887 -0.610 1.00 1.77 C ATOM 249 CG ARG A 17 -19.253 1.386 0.387 1.00 2.27 C ATOM 250 CD ARG A 17 -18.593 0.709 1.578 1.00 2.75 C ATOM 251 NE ARG A 17 -18.235 -0.676 1.288 1.00 3.16 N ATOM 252 CZ ARG A 17 -19.114 -1.673 1.264 1.00 3.76 C ATOM 253 NH1 ARG A 17 -20.392 -1.438 1.526 1.00 4.04 N ATOM 254 NH2 ARG A 17 -18.716 -2.906 0.980 1.00 4.40 N ATOM 0 H ARG A 17 -18.684 4.034 -1.726 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.782 3.392 0.858 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.704 2.037 -1.576 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.460 1.119 -0.750 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.862 2.221 0.733 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -19.926 0.684 -0.106 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -17.698 1.264 1.861 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -19.269 0.738 2.432 1.00 2.75 H new ATOM 0 HE ARG A 17 -17.257 -0.891 1.093 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -20.702 -0.491 1.746 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -21.066 -2.204 1.507 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -17.733 -3.091 0.779 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -19.393 -3.669 0.962 1.00 4.40 H new ATOM 268 N GLU A 18 -15.393 2.522 0.713 1.00 1.16 N ATOM 269 CA GLU A 18 -13.949 2.333 0.703 1.00 0.91 C ATOM 270 C GLU A 18 -13.618 0.887 0.355 1.00 0.63 C ATOM 271 O GLU A 18 -14.521 0.060 0.231 1.00 0.66 O ATOM 272 CB GLU A 18 -13.358 2.721 2.056 1.00 1.29 C ATOM 273 CG GLU A 18 -13.288 4.224 2.262 1.00 1.64 C ATOM 274 CD GLU A 18 -14.439 4.752 3.096 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.162 3.931 3.699 1.00 2.17 O ATOM 276 OE2 GLU A 18 -14.618 5.987 3.147 1.00 2.11 O ATOM 0 H GLU A 18 -15.854 2.214 1.569 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.507 2.978 -0.056 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.960 2.278 2.850 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.356 2.300 2.143 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.346 4.477 2.748 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.289 4.721 1.292 1.00 1.64 H new ATOM 283 N VAL A 19 -12.337 0.576 0.174 1.00 0.63 N ATOM 284 CA VAL A 19 -11.962 -0.793 -0.186 1.00 0.57 C ATOM 285 C VAL A 19 -11.092 -1.459 0.876 1.00 0.41 C ATOM 286 O VAL A 19 -10.311 -0.802 1.565 1.00 0.47 O ATOM 287 CB VAL A 19 -11.244 -0.847 -1.549 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.862 -0.231 -1.456 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.162 -2.280 -2.054 1.00 1.16 C ATOM 0 H VAL A 19 -11.560 1.230 0.267 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.897 -1.349 -0.255 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.826 -0.264 -2.263 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.375 -0.281 -2.430 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.948 0.810 -1.146 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.268 -0.779 -0.725 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.652 -2.298 -3.017 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.607 -2.887 -1.338 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.168 -2.683 -2.169 1.00 1.16 H new ATOM 299 N THR A 20 -11.242 -2.776 0.998 1.00 0.37 N ATOM 300 CA THR A 20 -10.487 -3.554 1.973 1.00 0.30 C ATOM 301 C THR A 20 -9.286 -4.229 1.333 1.00 0.33 C ATOM 302 O THR A 20 -9.244 -4.435 0.120 1.00 0.65 O ATOM 303 CB THR A 20 -11.358 -4.655 2.610 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.743 -4.299 2.532 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.963 -4.896 4.062 1.00 0.54 C ATOM 0 H THR A 20 -11.884 -3.328 0.429 1.00 0.37 H new ATOM 0 HA THR A 20 -10.157 -2.849 2.736 1.00 0.30 H new ATOM 0 HB THR A 20 -11.194 -5.578 2.054 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.286 -5.007 2.938 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.594 -5.677 4.486 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.919 -5.207 4.108 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.093 -3.976 4.632 1.00 0.54 H new ATOM 313 N VAL A 21 -8.317 -4.589 2.163 1.00 0.28 N ATOM 314 CA VAL A 21 -7.121 -5.265 1.680 1.00 0.25 C ATOM 315 C VAL A 21 -7.407 -6.746 1.454 1.00 0.29 C ATOM 316 O VAL A 21 -7.857 -7.447 2.360 1.00 0.33 O ATOM 317 CB VAL A 21 -5.946 -5.120 2.665 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.715 -5.837 2.133 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.646 -3.652 2.924 1.00 1.21 C ATOM 0 H VAL A 21 -8.335 -4.425 3.170 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.840 -4.793 0.739 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.228 -5.582 3.611 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.894 -5.725 2.841 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.939 -6.896 2.002 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.429 -5.405 1.174 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.813 -3.569 3.622 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.383 -3.163 1.986 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.526 -3.170 3.350 1.00 1.21 H new ATOM 329 N LYS A 22 -7.160 -7.214 0.236 1.00 0.36 N ATOM 330 CA LYS A 22 -7.407 -8.610 -0.107 1.00 0.46 C ATOM 331 C LYS A 22 -6.152 -9.458 0.076 1.00 0.52 C ATOM 332 O LYS A 22 -6.240 -10.652 0.362 1.00 0.66 O ATOM 333 CB LYS A 22 -7.899 -8.718 -1.552 1.00 0.52 C ATOM 334 CG LYS A 22 -9.341 -9.185 -1.674 1.00 0.78 C ATOM 335 CD LYS A 22 -9.551 -10.543 -1.023 1.00 1.48 C ATOM 336 CE LYS A 22 -10.982 -10.708 -0.539 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.445 -12.121 -0.633 1.00 2.95 N ATOM 0 H LYS A 22 -6.790 -6.649 -0.529 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.175 -8.989 0.568 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -7.799 -7.745 -2.034 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.255 -9.410 -2.095 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -10.001 -8.453 -1.209 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -9.618 -9.240 -2.727 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -9.313 -11.332 -1.737 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -8.865 -10.656 -0.183 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -11.056 -10.371 0.495 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.640 -10.071 -1.130 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -12.426 -12.188 -0.293 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -11.399 -12.436 -1.623 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -10.834 -12.726 -0.049 1.00 2.95 H new ATOM 351 N GLU A 23 -4.987 -8.844 -0.101 1.00 0.46 N ATOM 352 CA GLU A 23 -3.725 -9.563 0.036 1.00 0.56 C ATOM 353 C GLU A 23 -2.665 -8.720 0.741 1.00 0.42 C ATOM 354 O GLU A 23 -2.263 -7.665 0.249 1.00 0.42 O ATOM 355 CB GLU A 23 -3.215 -9.993 -1.341 1.00 0.73 C ATOM 356 CG GLU A 23 -3.038 -11.496 -1.485 1.00 1.09 C ATOM 357 CD GLU A 23 -1.884 -12.030 -0.660 1.00 1.33 C ATOM 358 OE1 GLU A 23 -0.888 -11.297 -0.486 1.00 1.63 O ATOM 359 OE2 GLU A 23 -1.976 -13.183 -0.187 1.00 2.13 O ATOM 0 H GLU A 23 -4.890 -7.857 -0.338 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.912 -10.444 0.650 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.912 -9.644 -2.102 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.260 -9.503 -1.534 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -3.958 -11.997 -1.183 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -2.872 -11.739 -2.534 1.00 1.09 H new ATOM 366 N TRP A 24 -2.204 -9.209 1.887 1.00 0.35 N ATOM 367 CA TRP A 24 -1.173 -8.528 2.665 1.00 0.26 C ATOM 368 C TRP A 24 0.080 -9.395 2.729 1.00 0.24 C ATOM 369 O TRP A 24 0.017 -10.550 3.150 1.00 0.33 O ATOM 370 CB TRP A 24 -1.679 -8.235 4.079 1.00 0.37 C ATOM 371 CG TRP A 24 -2.180 -6.836 4.260 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.398 -6.465 4.745 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.479 -5.624 3.962 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.500 -5.095 4.771 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.334 -4.556 4.294 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.211 -5.337 3.449 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.962 -3.225 4.128 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.156 -4.015 3.284 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.716 -2.973 3.623 1.00 0.70 C ATOM 0 H TRP A 24 -2.531 -10.082 2.301 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.932 -7.582 2.179 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.481 -8.933 4.321 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.873 -8.418 4.789 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.171 -7.149 5.063 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.311 -4.566 5.093 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.469 -6.134 3.186 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.633 -2.420 4.389 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.133 -3.781 2.887 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.398 -1.950 3.483 1.00 0.70 H new ATOM 390 N TYR A 25 1.216 -8.851 2.297 1.00 0.20 N ATOM 391 CA TYR A 25 2.460 -9.617 2.304 1.00 0.31 C ATOM 392 C TYR A 25 3.605 -8.849 2.959 1.00 0.27 C ATOM 393 O TYR A 25 4.767 -9.038 2.600 1.00 0.36 O ATOM 394 CB TYR A 25 2.851 -10.000 0.875 1.00 0.42 C ATOM 395 CG TYR A 25 2.342 -11.358 0.446 1.00 0.70 C ATOM 396 CD1 TYR A 25 2.429 -12.455 1.296 1.00 1.07 C ATOM 397 CD2 TYR A 25 1.778 -11.545 -0.809 1.00 1.16 C ATOM 398 CE1 TYR A 25 1.967 -13.698 0.906 1.00 1.34 C ATOM 399 CE2 TYR A 25 1.314 -12.785 -1.206 1.00 1.44 C ATOM 400 CZ TYR A 25 1.411 -13.857 -0.345 1.00 1.36 C ATOM 401 OH TYR A 25 0.951 -15.093 -0.737 1.00 1.72 O ATOM 0 H TYR A 25 1.301 -7.898 1.943 1.00 0.20 H new ATOM 0 HA TYR A 25 2.282 -10.516 2.894 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.467 -9.245 0.189 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.938 -9.986 0.789 1.00 0.42 H new ATOM 0 HD1 TYR A 25 2.865 -12.334 2.277 1.00 1.07 H new ATOM 0 HD2 TYR A 25 1.701 -10.707 -1.486 1.00 1.16 H new ATOM 0 HE1 TYR A 25 2.041 -14.540 1.578 1.00 1.34 H new ATOM 0 HE2 TYR A 25 0.878 -12.913 -2.186 1.00 1.44 H new ATOM 0 HH TYR A 25 0.588 -15.034 -1.645 1.00 1.72 H new ATOM 411 N VAL A 26 3.284 -7.985 3.916 1.00 0.22 N ATOM 412 CA VAL A 26 4.312 -7.207 4.598 1.00 0.22 C ATOM 413 C VAL A 26 3.866 -6.789 5.998 1.00 0.22 C ATOM 414 O VAL A 26 2.688 -6.888 6.342 1.00 0.31 O ATOM 415 CB VAL A 26 4.699 -5.955 3.780 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.002 -6.337 2.343 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.597 -4.903 3.827 1.00 0.40 C ATOM 0 H VAL A 26 2.332 -7.807 4.234 1.00 0.22 H new ATOM 0 HA VAL A 26 5.186 -7.852 4.692 1.00 0.22 H new ATOM 0 HB VAL A 26 5.595 -5.524 4.228 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.273 -5.445 1.779 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.830 -7.045 2.322 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.121 -6.796 1.895 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.898 -4.034 3.242 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.679 -5.319 3.412 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.424 -4.603 4.861 1.00 0.40 H new ATOM 427 N LYS A 27 4.818 -6.320 6.800 1.00 0.24 N ATOM 428 CA LYS A 27 4.527 -5.884 8.161 1.00 0.26 C ATOM 429 C LYS A 27 5.406 -4.700 8.555 1.00 0.29 C ATOM 430 O LYS A 27 6.409 -4.413 7.902 1.00 0.42 O ATOM 431 CB LYS A 27 4.732 -7.039 9.144 1.00 0.38 C ATOM 432 CG LYS A 27 3.466 -7.442 9.882 1.00 0.61 C ATOM 433 CD LYS A 27 2.804 -8.651 9.239 1.00 0.99 C ATOM 434 CE LYS A 27 1.501 -9.011 9.939 1.00 1.52 C ATOM 435 NZ LYS A 27 1.701 -10.051 10.986 1.00 1.89 N ATOM 0 H LYS A 27 5.798 -6.232 6.530 1.00 0.24 H new ATOM 0 HA LYS A 27 3.485 -5.566 8.199 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.117 -7.903 8.602 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.492 -6.755 9.872 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.706 -7.668 10.921 1.00 0.61 H new ATOM 0 HG3 LYS A 27 2.767 -6.605 9.891 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.608 -8.443 8.187 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.485 -9.502 9.275 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.074 -8.117 10.393 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.781 -9.370 9.204 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.790 -10.268 11.439 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 2.085 -10.914 10.550 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 2.368 -9.699 11.702 1.00 1.89 H new ATOM 449 N GLU A 28 5.019 -4.015 9.627 1.00 0.30 N ATOM 450 CA GLU A 28 5.767 -2.856 10.113 1.00 0.34 C ATOM 451 C GLU A 28 7.225 -3.217 10.377 1.00 0.38 C ATOM 452 O GLU A 28 7.520 -4.271 10.940 1.00 0.42 O ATOM 453 CB GLU A 28 5.135 -2.311 11.397 1.00 0.42 C ATOM 454 CG GLU A 28 3.615 -2.346 11.400 1.00 0.35 C ATOM 455 CD GLU A 28 3.061 -3.367 12.373 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.207 -3.162 13.597 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.482 -4.374 11.913 1.00 2.03 O ATOM 0 H GLU A 28 4.191 -4.242 10.178 1.00 0.30 H new ATOM 0 HA GLU A 28 5.731 -2.089 9.339 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.503 -2.889 12.245 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.465 -1.283 11.544 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.232 -1.358 11.657 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.258 -2.574 10.396 1.00 0.35 H new ATOM 464 N GLY A 29 8.139 -2.338 9.965 1.00 0.39 N ATOM 465 CA GLY A 29 9.552 -2.599 10.171 1.00 0.45 C ATOM 466 C GLY A 29 10.081 -3.707 9.275 1.00 0.40 C ATOM 467 O GLY A 29 11.238 -4.109 9.396 1.00 0.44 O ATOM 0 H GLY A 29 7.926 -1.457 9.496 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.117 -1.686 9.984 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.719 -2.870 11.214 1.00 0.45 H new ATOM 471 N ASP A 30 9.227 -4.218 8.389 1.00 0.34 N ATOM 472 CA ASP A 30 9.611 -5.302 7.493 1.00 0.31 C ATOM 473 C ASP A 30 10.068 -4.774 6.142 1.00 0.25 C ATOM 474 O ASP A 30 9.652 -3.701 5.711 1.00 0.24 O ATOM 475 CB ASP A 30 8.436 -6.260 7.295 1.00 0.31 C ATOM 476 CG ASP A 30 8.871 -7.711 7.249 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.235 -8.187 6.153 1.00 1.27 O ATOM 478 OD2 ASP A 30 8.847 -8.371 8.309 1.00 1.36 O ATOM 0 H ASP A 30 8.266 -3.897 8.274 1.00 0.34 H new ATOM 0 HA ASP A 30 10.445 -5.831 7.953 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.720 -6.124 8.106 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.919 -6.009 6.368 1.00 0.31 H new ATOM 483 N THR A 31 10.918 -5.545 5.474 1.00 0.23 N ATOM 484 CA THR A 31 11.423 -5.163 4.165 1.00 0.18 C ATOM 485 C THR A 31 10.700 -5.923 3.060 1.00 0.18 C ATOM 486 O THR A 31 10.302 -7.075 3.237 1.00 0.30 O ATOM 487 CB THR A 31 12.937 -5.414 4.041 1.00 0.19 C ATOM 488 OG1 THR A 31 13.558 -5.326 5.329 1.00 0.31 O ATOM 489 CG2 THR A 31 13.568 -4.403 3.095 1.00 0.30 C ATOM 0 H THR A 31 11.271 -6.438 5.819 1.00 0.23 H new ATOM 0 HA THR A 31 11.236 -4.095 4.056 1.00 0.18 H new ATOM 0 HB THR A 31 13.089 -6.415 3.638 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.520 -5.489 5.240 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.638 -4.595 3.019 1.00 0.30 H new ATOM 0 HG22 THR A 31 13.112 -4.493 2.109 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.406 -3.396 3.479 1.00 0.30 H new ATOM 497 N VAL A 32 10.532 -5.266 1.923 1.00 0.14 N ATOM 498 CA VAL A 32 9.855 -5.863 0.779 1.00 0.14 C ATOM 499 C VAL A 32 10.850 -6.225 -0.314 1.00 0.14 C ATOM 500 O VAL A 32 11.975 -5.728 -0.329 1.00 0.18 O ATOM 501 CB VAL A 32 8.775 -4.929 0.178 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.391 -5.397 0.582 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.984 -3.474 0.588 1.00 0.18 C ATOM 0 H VAL A 32 10.857 -4.312 1.766 1.00 0.14 H new ATOM 0 HA VAL A 32 9.366 -6.763 1.152 1.00 0.14 H new ATOM 0 HB VAL A 32 8.868 -4.978 -0.907 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.642 -4.731 0.153 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.228 -6.411 0.216 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.306 -5.386 1.669 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.204 -2.855 0.144 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.938 -3.392 1.674 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.959 -3.134 0.239 1.00 0.18 H new ATOM 513 N SER A 33 10.423 -7.091 -1.229 1.00 0.23 N ATOM 514 CA SER A 33 11.272 -7.522 -2.332 1.00 0.31 C ATOM 515 C SER A 33 10.542 -7.374 -3.664 1.00 0.33 C ATOM 516 O SER A 33 9.380 -6.971 -3.704 1.00 0.35 O ATOM 517 CB SER A 33 11.707 -8.975 -2.131 1.00 0.38 C ATOM 518 OG SER A 33 12.599 -9.387 -3.151 1.00 1.42 O ATOM 0 H SER A 33 9.492 -7.508 -1.227 1.00 0.23 H new ATOM 0 HA SER A 33 12.158 -6.887 -2.350 1.00 0.31 H new ATOM 0 HB2 SER A 33 12.187 -9.083 -1.159 1.00 0.38 H new ATOM 0 HB3 SER A 33 10.830 -9.623 -2.127 1.00 0.38 H new ATOM 0 HG SER A 33 12.863 -10.318 -2.998 1.00 1.42 H new ATOM 524 N GLN A 34 11.231 -7.698 -4.753 1.00 0.37 N ATOM 525 CA GLN A 34 10.649 -7.595 -6.087 1.00 0.41 C ATOM 526 C GLN A 34 9.523 -8.605 -6.283 1.00 0.43 C ATOM 527 O GLN A 34 8.666 -8.430 -7.149 1.00 0.52 O ATOM 528 CB GLN A 34 11.728 -7.805 -7.151 1.00 0.44 C ATOM 529 CG GLN A 34 12.602 -6.583 -7.380 1.00 0.76 C ATOM 530 CD GLN A 34 14.065 -6.937 -7.560 1.00 1.54 C ATOM 531 OE1 GLN A 34 14.593 -6.896 -8.671 1.00 2.38 O ATOM 532 NE2 GLN A 34 14.728 -7.288 -6.465 1.00 1.72 N ATOM 0 H GLN A 34 12.194 -8.034 -4.738 1.00 0.37 H new ATOM 0 HA GLN A 34 10.228 -6.595 -6.191 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.360 -8.643 -6.856 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.251 -8.081 -8.091 1.00 0.44 H new ATOM 0 HG2 GLN A 34 12.250 -6.050 -8.263 1.00 0.76 H new ATOM 0 HG3 GLN A 34 12.498 -5.903 -6.534 1.00 0.76 H new ATOM 0 HE21 GLN A 34 14.250 -7.308 -5.564 1.00 1.72 H new ATOM 0 HE22 GLN A 34 15.715 -7.537 -6.525 1.00 1.72 H new ATOM 541 N PHE A 35 9.530 -9.663 -5.481 1.00 0.43 N ATOM 542 CA PHE A 35 8.510 -10.698 -5.579 1.00 0.48 C ATOM 543 C PHE A 35 7.490 -10.589 -4.447 1.00 0.43 C ATOM 544 O PHE A 35 6.395 -11.144 -4.534 1.00 0.47 O ATOM 545 CB PHE A 35 9.162 -12.081 -5.560 1.00 0.58 C ATOM 546 CG PHE A 35 10.106 -12.330 -6.707 1.00 0.99 C ATOM 547 CD1 PHE A 35 9.947 -11.671 -7.918 1.00 1.12 C ATOM 548 CD2 PHE A 35 11.153 -13.228 -6.573 1.00 1.86 C ATOM 549 CE1 PHE A 35 10.814 -11.902 -8.969 1.00 1.64 C ATOM 550 CE2 PHE A 35 12.023 -13.463 -7.621 1.00 2.52 C ATOM 551 CZ PHE A 35 11.853 -12.800 -8.820 1.00 2.31 C ATOM 0 H PHE A 35 10.230 -9.826 -4.757 1.00 0.43 H new ATOM 0 HA PHE A 35 7.982 -10.557 -6.522 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.705 -12.202 -4.623 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.380 -12.840 -5.575 1.00 0.58 H new ATOM 0 HD1 PHE A 35 9.136 -10.969 -8.041 1.00 1.12 H new ATOM 0 HD2 PHE A 35 11.291 -13.751 -5.638 1.00 1.86 H new ATOM 0 HE1 PHE A 35 10.679 -11.381 -9.906 1.00 1.64 H new ATOM 0 HE2 PHE A 35 12.835 -14.165 -7.502 1.00 2.52 H new ATOM 0 HZ PHE A 35 12.531 -12.983 -9.640 1.00 2.31 H new ATOM 561 N ASP A 36 7.855 -9.879 -3.381 1.00 0.36 N ATOM 562 CA ASP A 36 6.965 -9.714 -2.237 1.00 0.34 C ATOM 563 C ASP A 36 6.199 -8.396 -2.314 1.00 0.25 C ATOM 564 O ASP A 36 6.748 -7.331 -2.036 1.00 0.21 O ATOM 565 CB ASP A 36 7.762 -9.778 -0.934 1.00 0.41 C ATOM 566 CG ASP A 36 7.951 -11.199 -0.442 1.00 0.76 C ATOM 567 OD1 ASP A 36 7.549 -12.135 -1.165 1.00 0.84 O ATOM 568 OD2 ASP A 36 8.499 -11.377 0.666 1.00 1.69 O ATOM 0 H ASP A 36 8.757 -9.411 -3.287 1.00 0.36 H new ATOM 0 HA ASP A 36 6.241 -10.529 -2.257 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.738 -9.316 -1.085 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.249 -9.196 -0.168 1.00 0.41 H new ATOM 573 N SER A 37 4.926 -8.480 -2.688 1.00 0.26 N ATOM 574 CA SER A 37 4.077 -7.296 -2.795 1.00 0.21 C ATOM 575 C SER A 37 3.793 -6.707 -1.416 1.00 0.23 C ATOM 576 O SER A 37 3.926 -7.391 -0.401 1.00 0.28 O ATOM 577 CB SER A 37 2.763 -7.648 -3.495 1.00 0.25 C ATOM 578 OG SER A 37 2.999 -8.173 -4.790 1.00 0.94 O ATOM 0 H SER A 37 4.458 -9.356 -2.922 1.00 0.26 H new ATOM 0 HA SER A 37 4.606 -6.549 -3.387 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.214 -8.376 -2.899 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.137 -6.759 -3.568 1.00 0.25 H new ATOM 0 HG SER A 37 2.144 -8.391 -5.215 1.00 0.94 H new ATOM 584 N ILE A 38 3.404 -5.435 -1.382 1.00 0.22 N ATOM 585 CA ILE A 38 3.108 -4.764 -0.119 1.00 0.27 C ATOM 586 C ILE A 38 1.633 -4.910 0.252 1.00 0.27 C ATOM 587 O ILE A 38 1.277 -5.733 1.102 1.00 0.27 O ATOM 588 CB ILE A 38 3.494 -3.268 -0.170 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.979 -3.131 -0.535 1.00 0.36 C ATOM 590 CG2 ILE A 38 3.191 -2.592 1.165 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.574 -1.769 -0.237 1.00 0.47 C ATOM 0 H ILE A 38 3.287 -4.851 -2.210 1.00 0.22 H new ATOM 0 HA ILE A 38 3.710 -5.248 0.650 1.00 0.27 H new ATOM 0 HB ILE A 38 2.900 -2.769 -0.936 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.545 -3.888 0.008 1.00 0.36 H new ATOM 0 HG13 ILE A 38 5.101 -3.343 -1.597 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.469 -1.539 1.111 1.00 0.34 H new ATOM 0 HG22 ILE A 38 2.126 -2.676 1.382 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.761 -3.078 1.957 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.625 -1.760 -0.525 1.00 0.47 H new ATOM 0 HD12 ILE A 38 5.037 -1.006 -0.800 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.489 -1.560 0.829 1.00 0.47 H new ATOM 603 N CYS A 39 0.780 -4.116 -0.388 1.00 0.32 N ATOM 604 CA CYS A 39 -0.654 -4.162 -0.124 1.00 0.34 C ATOM 605 C CYS A 39 -1.433 -4.475 -1.397 1.00 0.40 C ATOM 606 O CYS A 39 -1.051 -4.055 -2.489 1.00 0.55 O ATOM 607 CB CYS A 39 -1.126 -2.829 0.459 1.00 0.40 C ATOM 608 SG CYS A 39 -2.792 -2.878 1.161 1.00 1.29 S ATOM 0 H CYS A 39 1.057 -3.433 -1.093 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.840 -4.957 0.599 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -0.426 -2.515 1.234 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.095 -2.071 -0.324 1.00 0.40 H new ATOM 0 HG CYS A 39 -2.717 -3.068 2.445 1.00 1.29 H new ATOM 614 N GLU A 40 -2.526 -5.213 -1.249 1.00 0.36 N ATOM 615 CA GLU A 40 -3.358 -5.580 -2.388 1.00 0.44 C ATOM 616 C GLU A 40 -4.839 -5.506 -2.026 1.00 0.48 C ATOM 617 O GLU A 40 -5.279 -6.104 -1.044 1.00 0.50 O ATOM 618 CB GLU A 40 -3.007 -6.988 -2.873 1.00 0.57 C ATOM 619 CG GLU A 40 -1.514 -7.220 -3.041 1.00 1.15 C ATOM 620 CD GLU A 40 -1.173 -7.882 -4.362 1.00 1.65 C ATOM 621 OE1 GLU A 40 -1.811 -8.902 -4.697 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.267 -7.381 -5.061 1.00 2.37 O ATOM 0 H GLU A 40 -2.857 -5.569 -0.352 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.163 -4.870 -3.192 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.402 -7.716 -2.164 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.504 -7.169 -3.826 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -0.991 -6.266 -2.971 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.152 -7.842 -2.223 1.00 1.15 H new ATOM 629 N VAL A 41 -5.602 -4.770 -2.829 1.00 0.55 N ATOM 630 CA VAL A 41 -7.034 -4.618 -2.597 1.00 0.64 C ATOM 631 C VAL A 41 -7.832 -4.986 -3.845 1.00 0.92 C ATOM 632 O VAL A 41 -7.366 -4.795 -4.968 1.00 1.08 O ATOM 633 CB VAL A 41 -7.387 -3.176 -2.179 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.595 -2.770 -0.946 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.137 -2.206 -3.325 1.00 1.32 C ATOM 0 H VAL A 41 -5.252 -4.270 -3.646 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.299 -5.296 -1.786 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.448 -3.140 -1.932 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.857 -1.750 -0.665 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.831 -3.445 -0.123 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.529 -2.824 -1.165 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.393 -1.195 -3.008 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.085 -2.242 -3.609 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.754 -2.485 -4.179 1.00 1.32 H new ATOM 645 N GLN A 42 -9.034 -5.514 -3.643 1.00 1.03 N ATOM 646 CA GLN A 42 -9.889 -5.905 -4.760 1.00 1.34 C ATOM 647 C GLN A 42 -11.291 -5.319 -4.616 1.00 1.39 C ATOM 648 O GLN A 42 -11.975 -5.556 -3.620 1.00 1.38 O ATOM 649 CB GLN A 42 -9.969 -7.430 -4.861 1.00 1.58 C ATOM 650 CG GLN A 42 -8.673 -8.079 -5.319 1.00 1.80 C ATOM 651 CD GLN A 42 -8.900 -9.169 -6.348 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.006 -9.693 -6.481 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.850 -9.518 -7.084 1.00 2.60 N ATOM 0 H GLN A 42 -9.438 -5.681 -2.721 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.446 -5.508 -5.673 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.245 -7.836 -3.888 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -10.765 -7.698 -5.555 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.018 -7.317 -5.741 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.157 -8.500 -4.456 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -6.951 -9.058 -6.941 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.943 -10.246 -7.792 1.00 2.60 H new ATOM 662 N SER A 43 -11.712 -4.555 -5.620 1.00 1.55 N ATOM 663 CA SER A 43 -13.032 -3.935 -5.609 1.00 1.64 C ATOM 664 C SER A 43 -13.957 -4.607 -6.620 1.00 2.05 C ATOM 665 O SER A 43 -13.506 -5.116 -7.646 1.00 2.29 O ATOM 666 CB SER A 43 -12.919 -2.441 -5.919 1.00 1.43 C ATOM 667 OG SER A 43 -13.701 -1.674 -5.021 1.00 1.73 O ATOM 0 H SER A 43 -11.158 -4.351 -6.451 1.00 1.55 H new ATOM 0 HA SER A 43 -13.457 -4.062 -4.613 1.00 1.64 H new ATOM 0 HB2 SER A 43 -11.876 -2.131 -5.854 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.245 -2.253 -6.942 1.00 1.43 H new ATOM 0 HG SER A 43 -13.611 -0.723 -5.239 1.00 1.73 H new ATOM 673 N ASP A 44 -15.252 -4.603 -6.323 1.00 2.23 N ATOM 674 CA ASP A 44 -16.241 -5.212 -7.205 1.00 2.66 C ATOM 675 C ASP A 44 -16.075 -4.711 -8.636 1.00 2.80 C ATOM 676 O ASP A 44 -16.384 -5.421 -9.593 1.00 3.14 O ATOM 677 CB ASP A 44 -17.655 -4.911 -6.705 1.00 2.85 C ATOM 678 CG ASP A 44 -18.024 -3.449 -6.857 1.00 3.67 C ATOM 679 OD1 ASP A 44 -17.495 -2.619 -6.087 1.00 3.89 O ATOM 680 OD2 ASP A 44 -18.842 -3.133 -7.746 1.00 4.39 O ATOM 0 H ASP A 44 -15.641 -4.185 -5.478 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.084 -6.291 -7.197 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.370 -5.522 -7.256 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -17.734 -5.196 -5.656 1.00 2.85 H new ATOM 685 N LYS A 45 -15.582 -3.484 -8.775 1.00 2.69 N ATOM 686 CA LYS A 45 -15.373 -2.890 -10.090 1.00 2.92 C ATOM 687 C LYS A 45 -14.068 -3.382 -10.707 1.00 3.03 C ATOM 688 O LYS A 45 -14.054 -3.905 -11.821 1.00 3.65 O ATOM 689 CB LYS A 45 -15.355 -1.364 -9.986 1.00 2.89 C ATOM 690 CG LYS A 45 -16.496 -0.795 -9.159 1.00 2.98 C ATOM 691 CD LYS A 45 -16.512 0.725 -9.204 1.00 3.17 C ATOM 692 CE LYS A 45 -15.738 1.326 -8.042 1.00 3.22 C ATOM 693 NZ LYS A 45 -16.538 1.334 -6.785 1.00 3.62 N ATOM 0 H LYS A 45 -15.320 -2.883 -7.994 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.198 -3.195 -10.734 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -14.408 -1.050 -9.547 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -15.398 -0.940 -10.989 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -17.445 -1.181 -9.532 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -16.400 -1.129 -8.126 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -16.081 1.067 -10.145 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -17.542 1.080 -9.178 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -14.821 0.758 -7.885 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -15.443 2.345 -8.291 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -15.915 1.541 -5.978 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -17.277 2.063 -6.848 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -16.981 0.403 -6.650 1.00 3.62 H new ATOM 707 N ALA A 46 -12.973 -3.207 -9.976 1.00 2.58 N ATOM 708 CA ALA A 46 -11.662 -3.630 -10.451 1.00 2.82 C ATOM 709 C ALA A 46 -10.771 -4.061 -9.291 1.00 2.68 C ATOM 710 O ALA A 46 -11.016 -3.700 -8.140 1.00 2.63 O ATOM 711 CB ALA A 46 -11.003 -2.507 -11.236 1.00 2.83 C ATOM 0 H ALA A 46 -12.968 -2.775 -9.052 1.00 2.58 H new ATOM 0 HA ALA A 46 -11.798 -4.489 -11.108 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.024 -2.834 -11.586 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.626 -2.247 -12.092 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -10.886 -1.634 -10.594 1.00 2.83 H new ATOM 717 N SER A 47 -9.735 -4.833 -9.601 1.00 2.96 N ATOM 718 CA SER A 47 -8.807 -5.312 -8.582 1.00 2.92 C ATOM 719 C SER A 47 -7.512 -4.506 -8.600 1.00 2.26 C ATOM 720 O SER A 47 -6.955 -4.231 -9.663 1.00 2.31 O ATOM 721 CB SER A 47 -8.499 -6.794 -8.802 1.00 3.72 C ATOM 722 OG SER A 47 -9.690 -7.541 -8.984 1.00 4.52 O ATOM 0 H SER A 47 -9.517 -5.140 -10.549 1.00 2.96 H new ATOM 0 HA SER A 47 -9.279 -5.184 -7.608 1.00 2.92 H new ATOM 0 HB2 SER A 47 -7.857 -6.909 -9.675 1.00 3.72 H new ATOM 0 HB3 SER A 47 -7.948 -7.185 -7.947 1.00 3.72 H new ATOM 0 HG SER A 47 -9.466 -8.485 -9.124 1.00 4.52 H new ATOM 728 N VAL A 48 -7.035 -4.133 -7.416 1.00 2.12 N ATOM 729 CA VAL A 48 -5.802 -3.361 -7.300 1.00 1.80 C ATOM 730 C VAL A 48 -4.715 -4.173 -6.605 1.00 1.55 C ATOM 731 O VAL A 48 -4.964 -4.816 -5.584 1.00 1.97 O ATOM 732 CB VAL A 48 -6.015 -2.044 -6.522 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.943 -1.030 -6.887 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.403 -1.477 -6.785 1.00 3.50 C ATOM 0 H VAL A 48 -7.482 -4.352 -6.526 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.491 -3.120 -8.316 1.00 1.80 H new ATOM 0 HB VAL A 48 -5.935 -2.261 -5.457 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.109 -0.108 -6.329 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -3.961 -1.433 -6.638 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -4.989 -0.821 -7.956 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.529 -0.550 -6.226 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.519 -1.277 -7.850 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.157 -2.198 -6.467 1.00 3.50 H new ATOM 744 N THR A 49 -3.511 -4.138 -7.163 1.00 1.13 N ATOM 745 CA THR A 49 -2.383 -4.867 -6.598 1.00 0.98 C ATOM 746 C THR A 49 -1.132 -3.998 -6.578 1.00 0.69 C ATOM 747 O THR A 49 -0.733 -3.448 -7.604 1.00 0.71 O ATOM 748 CB THR A 49 -2.087 -6.153 -7.391 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.674 -5.823 -8.723 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.314 -7.050 -7.444 1.00 1.46 C ATOM 0 H THR A 49 -3.291 -3.611 -8.008 1.00 1.13 H new ATOM 0 HA THR A 49 -2.657 -5.137 -5.578 1.00 0.98 H new ATOM 0 HB THR A 49 -1.285 -6.690 -6.884 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.305 -4.915 -8.736 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.081 -7.952 -8.009 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.609 -7.323 -6.431 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.132 -6.519 -7.930 1.00 1.46 H new ATOM 758 N ILE A 50 -0.519 -3.872 -5.407 1.00 0.66 N ATOM 759 CA ILE A 50 0.682 -3.060 -5.268 1.00 0.49 C ATOM 760 C ILE A 50 1.938 -3.920 -5.275 1.00 0.37 C ATOM 761 O ILE A 50 2.251 -4.600 -4.295 1.00 0.36 O ATOM 762 CB ILE A 50 0.649 -2.228 -3.974 1.00 0.66 C ATOM 763 CG1 ILE A 50 -0.647 -1.420 -3.900 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.859 -1.308 -3.904 1.00 0.78 C ATOM 765 CD1 ILE A 50 -0.777 -0.392 -5.002 1.00 1.01 C ATOM 0 H ILE A 50 -0.832 -4.319 -4.545 1.00 0.66 H new ATOM 0 HA ILE A 50 0.706 -2.387 -6.125 1.00 0.49 H new ATOM 0 HB ILE A 50 0.684 -2.905 -3.121 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.495 -2.103 -3.948 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -0.698 -0.916 -2.935 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.821 -0.726 -2.983 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.771 -1.905 -3.919 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.853 -0.633 -4.760 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -1.719 0.145 -4.889 1.00 1.01 H new ATOM 0 HD12 ILE A 50 0.052 0.313 -4.942 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -0.758 -0.892 -5.970 1.00 1.01 H new ATOM 777 N THR A 51 2.660 -3.871 -6.389 1.00 0.41 N ATOM 778 CA THR A 51 3.891 -4.629 -6.541 1.00 0.44 C ATOM 779 C THR A 51 5.067 -3.861 -5.954 1.00 0.40 C ATOM 780 O THR A 51 4.895 -2.769 -5.410 1.00 0.50 O ATOM 781 CB THR A 51 4.181 -4.950 -8.019 1.00 0.56 C ATOM 782 OG1 THR A 51 4.034 -3.768 -8.816 1.00 0.79 O ATOM 783 CG2 THR A 51 3.242 -6.034 -8.531 1.00 1.04 C ATOM 0 H THR A 51 2.410 -3.310 -7.203 1.00 0.41 H new ATOM 0 HA THR A 51 3.760 -5.567 -6.002 1.00 0.44 H new ATOM 0 HB THR A 51 5.206 -5.313 -8.095 1.00 0.56 H new ATOM 0 HG1 THR A 51 4.222 -3.981 -9.754 1.00 0.79 H new ATOM 0 HG21 THR A 51 3.465 -6.244 -9.577 1.00 1.04 H new ATOM 0 HG22 THR A 51 3.377 -6.941 -7.942 1.00 1.04 H new ATOM 0 HG23 THR A 51 2.210 -5.694 -8.441 1.00 1.04 H new ATOM 791 N SER A 52 6.256 -4.435 -6.056 1.00 0.49 N ATOM 792 CA SER A 52 7.451 -3.797 -5.523 1.00 0.56 C ATOM 793 C SER A 52 8.403 -3.370 -6.636 1.00 0.56 C ATOM 794 O SER A 52 8.700 -2.185 -6.789 1.00 0.66 O ATOM 795 CB SER A 52 8.168 -4.744 -4.560 1.00 0.63 C ATOM 796 OG SER A 52 7.274 -5.709 -4.033 1.00 1.36 O ATOM 0 H SER A 52 6.420 -5.338 -6.501 1.00 0.49 H new ATOM 0 HA SER A 52 7.138 -2.901 -4.986 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.985 -5.246 -5.079 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.612 -4.172 -3.745 1.00 0.63 H new ATOM 0 HG SER A 52 7.762 -6.316 -3.438 1.00 1.36 H new ATOM 802 N ARG A 53 8.900 -4.343 -7.397 1.00 0.54 N ATOM 803 CA ARG A 53 9.844 -4.065 -8.479 1.00 0.63 C ATOM 804 C ARG A 53 11.242 -3.747 -7.915 1.00 0.58 C ATOM 805 O ARG A 53 12.165 -3.427 -8.663 1.00 0.68 O ATOM 806 CB ARG A 53 9.308 -2.914 -9.366 1.00 0.83 C ATOM 807 CG ARG A 53 10.034 -1.578 -9.222 1.00 1.39 C ATOM 808 CD ARG A 53 9.133 -0.418 -9.602 1.00 2.19 C ATOM 809 NE ARG A 53 9.764 0.473 -10.571 1.00 2.73 N ATOM 810 CZ ARG A 53 9.815 0.224 -11.876 1.00 3.54 C ATOM 811 NH1 ARG A 53 9.284 -0.891 -12.363 1.00 4.04 N ATOM 812 NH2 ARG A 53 10.397 1.088 -12.697 1.00 4.23 N ATOM 0 H ARG A 53 8.666 -5.329 -7.285 1.00 0.54 H new ATOM 0 HA ARG A 53 9.942 -4.953 -9.103 1.00 0.63 H new ATOM 0 HB2 ARG A 53 9.363 -3.227 -10.409 1.00 0.83 H new ATOM 0 HB3 ARG A 53 8.254 -2.761 -9.134 1.00 0.83 H new ATOM 0 HG2 ARG A 53 10.374 -1.455 -8.194 1.00 1.39 H new ATOM 0 HG3 ARG A 53 10.922 -1.574 -9.854 1.00 1.39 H new ATOM 0 HD2 ARG A 53 8.202 -0.804 -10.017 1.00 2.19 H new ATOM 0 HD3 ARG A 53 8.873 0.147 -8.707 1.00 2.19 H new ATOM 0 HE ARG A 53 10.189 1.334 -10.228 1.00 2.73 H new ATOM 0 HH11 ARG A 53 8.836 -1.559 -11.736 1.00 4.04 H new ATOM 0 HH12 ARG A 53 9.324 -1.080 -13.365 1.00 4.04 H new ATOM 0 HH21 ARG A 53 10.807 1.946 -12.328 1.00 4.23 H new ATOM 0 HH22 ARG A 53 10.435 0.895 -13.698 1.00 4.23 H new ATOM 826 N TYR A 54 11.377 -3.827 -6.592 1.00 0.45 N ATOM 827 CA TYR A 54 12.631 -3.542 -5.915 1.00 0.41 C ATOM 828 C TYR A 54 12.474 -3.843 -4.431 1.00 0.31 C ATOM 829 O TYR A 54 11.368 -4.125 -3.970 1.00 0.28 O ATOM 830 CB TYR A 54 13.032 -2.081 -6.122 1.00 0.50 C ATOM 831 CG TYR A 54 13.915 -1.863 -7.330 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.036 -2.656 -7.546 1.00 1.89 C ATOM 833 CD2 TYR A 54 13.629 -0.866 -8.253 1.00 1.77 C ATOM 834 CE1 TYR A 54 15.846 -2.460 -8.648 1.00 2.72 C ATOM 835 CE2 TYR A 54 14.435 -0.664 -9.358 1.00 2.59 C ATOM 836 CZ TYR A 54 15.542 -1.463 -9.550 1.00 2.95 C ATOM 837 OH TYR A 54 16.349 -1.266 -10.648 1.00 3.88 O ATOM 0 H TYR A 54 10.618 -4.091 -5.964 1.00 0.45 H new ATOM 0 HA TYR A 54 13.418 -4.170 -6.333 1.00 0.41 H new ATOM 0 HB2 TYR A 54 12.131 -1.477 -6.227 1.00 0.50 H new ATOM 0 HB3 TYR A 54 13.552 -1.726 -5.233 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.278 -3.438 -6.841 1.00 1.89 H new ATOM 0 HD2 TYR A 54 12.763 -0.238 -8.105 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.713 -3.085 -8.802 1.00 2.72 H new ATOM 0 HE2 TYR A 54 14.199 0.116 -10.067 1.00 2.59 H new ATOM 0 HH TYR A 54 15.996 -0.526 -11.185 1.00 3.88 H new ATOM 847 N ASP A 55 13.564 -3.793 -3.681 1.00 0.30 N ATOM 848 CA ASP A 55 13.489 -4.077 -2.255 1.00 0.24 C ATOM 849 C ASP A 55 13.410 -2.788 -1.447 1.00 0.23 C ATOM 850 O ASP A 55 14.274 -1.917 -1.555 1.00 0.28 O ATOM 851 CB ASP A 55 14.686 -4.911 -1.800 1.00 0.28 C ATOM 852 CG ASP A 55 15.980 -4.120 -1.805 1.00 1.01 C ATOM 853 OD1 ASP A 55 16.236 -3.395 -0.820 1.00 1.33 O ATOM 854 OD2 ASP A 55 16.736 -4.222 -2.794 1.00 1.52 O ATOM 0 H ASP A 55 14.496 -3.563 -4.027 1.00 0.30 H new ATOM 0 HA ASP A 55 12.580 -4.652 -2.079 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.500 -5.290 -0.795 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.791 -5.777 -2.453 1.00 0.28 H new ATOM 859 N GLY A 56 12.359 -2.674 -0.643 1.00 0.18 N ATOM 860 CA GLY A 56 12.166 -1.490 0.170 1.00 0.18 C ATOM 861 C GLY A 56 11.893 -1.822 1.621 1.00 0.15 C ATOM 862 O GLY A 56 11.604 -2.967 1.956 1.00 0.15 O ATOM 0 H GLY A 56 11.635 -3.385 -0.540 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.053 -0.860 0.105 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.334 -0.910 -0.230 1.00 0.18 H new ATOM 866 N VAL A 57 12.002 -0.825 2.490 1.00 0.18 N ATOM 867 CA VAL A 57 11.777 -1.037 3.918 1.00 0.21 C ATOM 868 C VAL A 57 10.446 -0.444 4.383 1.00 0.22 C ATOM 869 O VAL A 57 10.216 0.758 4.259 1.00 0.26 O ATOM 870 CB VAL A 57 12.918 -0.429 4.762 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.952 -1.060 6.146 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.260 -0.599 4.062 1.00 1.11 C ATOM 0 H VAL A 57 12.243 0.133 2.236 1.00 0.18 H new ATOM 0 HA VAL A 57 11.750 -2.117 4.066 1.00 0.21 H new ATOM 0 HB VAL A 57 12.727 0.638 4.874 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.762 -0.619 6.727 1.00 1.06 H new ATOM 0 HG12 VAL A 57 12.003 -0.880 6.652 1.00 1.06 H new ATOM 0 HG13 VAL A 57 13.115 -2.134 6.052 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.048 -0.163 4.676 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.461 -1.660 3.913 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.233 -0.096 3.095 1.00 1.11 H new ATOM 882 N ILE A 58 9.584 -1.296 4.941 1.00 0.21 N ATOM 883 CA ILE A 58 8.284 -0.859 5.452 1.00 0.24 C ATOM 884 C ILE A 58 8.363 -0.674 6.962 1.00 0.33 C ATOM 885 O ILE A 58 8.851 -1.554 7.680 1.00 0.38 O ATOM 886 CB ILE A 58 7.165 -1.862 5.104 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.215 -2.197 3.615 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.800 -1.295 5.467 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.433 -3.436 3.244 1.00 0.17 C ATOM 0 H ILE A 58 9.763 -2.294 5.051 1.00 0.21 H new ATOM 0 HA ILE A 58 8.038 0.089 4.975 1.00 0.24 H new ATOM 0 HB ILE A 58 7.322 -2.772 5.683 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.828 -1.350 3.048 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.255 -2.332 3.317 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.026 -2.019 5.213 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.765 -1.087 6.536 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.630 -0.372 4.912 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.515 -3.610 2.171 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.834 -4.294 3.783 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.385 -3.298 3.510 1.00 0.17 H new ATOM 901 N LYS A 59 7.926 0.495 7.431 1.00 0.40 N ATOM 902 CA LYS A 59 8.002 0.826 8.853 1.00 0.53 C ATOM 903 C LYS A 59 6.692 0.612 9.607 1.00 0.52 C ATOM 904 O LYS A 59 6.717 0.324 10.803 1.00 0.61 O ATOM 905 CB LYS A 59 8.450 2.279 9.020 1.00 0.65 C ATOM 906 CG LYS A 59 8.702 2.674 10.466 1.00 0.83 C ATOM 907 CD LYS A 59 8.668 4.183 10.646 1.00 1.03 C ATOM 908 CE LYS A 59 9.249 4.599 11.988 1.00 1.51 C ATOM 909 NZ LYS A 59 8.418 5.642 12.653 1.00 2.14 N ATOM 0 H LYS A 59 7.517 1.226 6.849 1.00 0.40 H new ATOM 0 HA LYS A 59 8.728 0.140 9.288 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.362 2.438 8.444 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.689 2.936 8.600 1.00 0.65 H new ATOM 0 HG2 LYS A 59 7.950 2.213 11.106 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.671 2.290 10.785 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.230 4.659 9.842 1.00 1.03 H new ATOM 0 HD3 LYS A 59 7.640 4.536 10.569 1.00 1.03 H new ATOM 0 HE2 LYS A 59 9.325 3.727 12.637 1.00 1.51 H new ATOM 0 HE3 LYS A 59 10.261 4.978 11.844 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 8.847 5.899 13.565 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 8.366 6.484 12.045 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 7.460 5.272 12.814 1.00 2.14 H new ATOM 923 N LYS A 60 5.550 0.764 8.943 1.00 0.44 N ATOM 924 CA LYS A 60 4.278 0.586 9.638 1.00 0.45 C ATOM 925 C LYS A 60 3.100 0.364 8.692 1.00 0.37 C ATOM 926 O LYS A 60 3.048 0.911 7.591 1.00 0.53 O ATOM 927 CB LYS A 60 4.005 1.795 10.546 1.00 0.55 C ATOM 928 CG LYS A 60 3.400 2.997 9.830 1.00 0.76 C ATOM 929 CD LYS A 60 4.343 3.559 8.780 1.00 0.51 C ATOM 930 CE LYS A 60 5.515 4.285 9.418 1.00 0.71 C ATOM 931 NZ LYS A 60 5.105 5.589 10.006 1.00 1.35 N ATOM 0 H LYS A 60 5.477 1.003 7.954 1.00 0.44 H new ATOM 0 HA LYS A 60 4.371 -0.320 10.237 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.332 1.488 11.347 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.940 2.100 11.015 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.462 2.705 9.358 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.162 3.773 10.558 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.713 2.749 8.151 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.799 4.244 8.130 1.00 0.51 H new ATOM 0 HE2 LYS A 60 5.952 3.657 10.195 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.290 4.452 8.670 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 5.939 6.069 10.401 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 4.680 6.185 9.267 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 4.409 5.426 10.761 1.00 1.35 H new ATOM 945 N LEU A 61 2.142 -0.429 9.165 1.00 0.35 N ATOM 946 CA LEU A 61 0.927 -0.731 8.418 1.00 0.37 C ATOM 947 C LEU A 61 -0.271 -0.676 9.367 1.00 0.56 C ATOM 948 O LEU A 61 -0.264 -1.317 10.418 1.00 0.94 O ATOM 949 CB LEU A 61 1.032 -2.106 7.756 1.00 0.39 C ATOM 950 CG LEU A 61 2.206 -2.266 6.784 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.156 -3.351 7.266 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.698 -2.583 5.386 1.00 0.91 C ATOM 0 H LEU A 61 2.188 -0.880 10.079 1.00 0.35 H new ATOM 0 HA LEU A 61 0.793 0.008 7.628 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.119 -2.863 8.536 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.105 -2.306 7.219 1.00 0.39 H new ATOM 0 HG LEU A 61 2.754 -1.324 6.747 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.983 -3.449 6.563 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.545 -3.084 8.248 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.622 -4.299 7.333 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.544 -2.694 4.708 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.127 -3.511 5.408 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.058 -1.772 5.039 1.00 0.91 H new ATOM 964 N TYR A 62 -1.280 0.121 9.020 1.00 0.68 N ATOM 965 CA TYR A 62 -2.451 0.281 9.882 1.00 0.88 C ATOM 966 C TYR A 62 -3.629 -0.598 9.463 1.00 0.75 C ATOM 967 O TYR A 62 -4.276 -1.216 10.309 1.00 0.87 O ATOM 968 CB TYR A 62 -2.891 1.746 9.895 1.00 1.16 C ATOM 969 CG TYR A 62 -3.600 2.156 11.166 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.969 1.971 11.311 1.00 1.55 C ATOM 971 CD2 TYR A 62 -2.899 2.726 12.221 1.00 1.81 C ATOM 972 CE1 TYR A 62 -5.619 2.345 12.473 1.00 2.07 C ATOM 973 CE2 TYR A 62 -3.542 3.101 13.385 1.00 2.35 C ATOM 974 CZ TYR A 62 -4.901 2.909 13.506 1.00 2.38 C ATOM 975 OH TYR A 62 -5.545 3.281 14.664 1.00 3.08 O ATOM 0 H TYR A 62 -1.312 0.662 8.156 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.150 -0.038 10.880 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -2.015 2.380 9.757 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.552 1.925 9.047 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -5.534 1.528 10.504 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -1.834 2.879 12.130 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -6.684 2.196 12.571 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -2.982 3.543 14.196 1.00 2.35 H new ATOM 0 HH TYR A 62 -4.896 3.661 15.292 1.00 3.08 H new ATOM 985 N TYR A 63 -3.929 -0.631 8.170 1.00 0.64 N ATOM 986 CA TYR A 63 -5.059 -1.415 7.676 1.00 0.62 C ATOM 987 C TYR A 63 -4.643 -2.824 7.258 1.00 0.63 C ATOM 988 O TYR A 63 -3.653 -3.012 6.552 1.00 0.73 O ATOM 989 CB TYR A 63 -5.728 -0.692 6.502 1.00 0.79 C ATOM 990 CG TYR A 63 -5.714 0.816 6.629 1.00 1.02 C ATOM 991 CD1 TYR A 63 -5.876 1.427 7.866 1.00 1.16 C ATOM 992 CD2 TYR A 63 -5.539 1.627 5.515 1.00 1.28 C ATOM 993 CE1 TYR A 63 -5.864 2.804 7.991 1.00 1.45 C ATOM 994 CE2 TYR A 63 -5.525 3.005 5.631 1.00 1.56 C ATOM 995 CZ TYR A 63 -5.688 3.588 6.871 1.00 1.60 C ATOM 996 OH TYR A 63 -5.676 4.960 6.993 1.00 1.93 O ATOM 0 H TYR A 63 -3.412 -0.129 7.448 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.770 -1.515 8.496 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -5.224 -0.975 5.578 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.760 -1.031 6.419 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.014 0.816 8.746 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -5.412 1.174 4.543 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -5.992 3.263 8.960 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -5.387 3.622 4.755 1.00 1.56 H new ATOM 0 HH TYR A 63 -5.541 5.366 6.111 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.420 -3.812 7.701 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.157 -5.209 7.381 1.00 0.67 C ATOM 1008 C ASN A 64 -6.132 -5.726 6.329 1.00 0.49 C ATOM 1009 O ASN A 64 -6.858 -4.958 5.698 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.271 -6.072 8.638 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.392 -5.568 9.766 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.677 -4.539 10.378 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.314 -6.291 10.048 1.00 1.03 N ATOM 0 H ASN A 64 -6.242 -3.666 8.287 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.144 -5.272 6.983 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.309 -6.090 8.970 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.995 -7.099 8.397 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.686 -5.999 10.797 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.114 -7.138 9.516 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.130 -7.039 6.151 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.987 -7.703 5.188 1.00 0.54 C ATOM 1022 C LEU A 65 -8.465 -7.380 5.408 1.00 0.66 C ATOM 1023 O LEU A 65 -9.277 -7.515 4.493 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.768 -9.209 5.294 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.643 -9.759 4.420 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.996 -10.965 5.081 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.168 -10.121 3.039 1.00 1.04 C ATOM 0 H LEU A 65 -5.529 -7.675 6.675 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.724 -7.343 4.194 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.555 -9.458 6.334 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.696 -9.716 5.028 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.885 -8.984 4.305 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -4.197 -11.344 4.444 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.583 -10.673 6.047 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.744 -11.745 5.227 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.352 -10.511 2.430 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.946 -10.879 3.133 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.583 -9.233 2.563 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.814 -6.973 6.623 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.203 -6.658 6.949 1.00 0.92 C ATOM 1041 C ASP A 66 -10.467 -5.154 6.931 1.00 0.87 C ATOM 1042 O ASP A 66 -11.598 -4.719 6.721 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.560 -7.224 8.324 1.00 1.12 C ATOM 1044 CG ASP A 66 -10.788 -8.723 8.296 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -9.828 -9.465 8.001 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -11.928 -9.154 8.570 1.00 2.33 O ATOM 0 H ASP A 66 -8.159 -6.853 7.396 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.829 -7.117 6.184 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.758 -6.995 9.026 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -11.459 -6.730 8.694 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.426 -4.365 7.170 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.564 -2.913 7.199 1.00 0.81 C ATOM 1053 C ASP A 67 -9.794 -2.330 5.811 1.00 0.69 C ATOM 1054 O ASP A 67 -9.307 -2.856 4.801 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.323 -2.270 7.813 1.00 0.92 C ATOM 1056 CG ASP A 67 -8.157 -2.617 9.280 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -8.226 -3.818 9.617 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.959 -1.689 10.091 1.00 1.85 O ATOM 0 H ASP A 67 -8.480 -4.704 7.346 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.439 -2.692 7.811 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.439 -2.595 7.264 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.386 -1.187 7.704 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.527 -1.219 5.786 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.829 -0.510 4.552 1.00 0.78 C ATOM 1065 C ILE A 68 -10.069 0.797 4.501 1.00 0.99 C ATOM 1066 O ILE A 68 -10.059 1.561 5.465 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.329 -0.187 4.408 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.197 -1.214 5.142 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.697 -0.123 2.936 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.118 -2.601 4.552 1.00 1.10 C ATOM 0 H ILE A 68 -10.926 -0.789 6.620 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.532 -1.172 3.738 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.519 0.783 4.867 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.892 -1.255 6.188 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.234 -0.879 5.125 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.758 0.105 2.836 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.111 0.655 2.448 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.487 -1.084 2.466 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.757 -3.276 5.122 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.451 -2.575 3.515 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.088 -2.956 4.593 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.442 1.056 3.371 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.692 2.279 3.199 1.00 1.34 C ATOM 1084 C ALA A 69 -9.504 3.295 2.409 1.00 1.19 C ATOM 1085 O ALA A 69 -10.363 2.925 1.592 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.365 1.994 2.513 1.00 2.16 C ATOM 0 H ALA A 69 -9.438 0.436 2.561 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.484 2.702 4.182 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.811 2.925 2.390 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.782 1.303 3.121 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.549 1.550 1.535 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.222 4.571 2.653 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.908 5.661 1.968 1.00 1.38 C ATOM 1094 C TYR A 70 -8.899 6.513 1.207 1.00 1.17 C ATOM 1095 O TYR A 70 -7.793 6.760 1.688 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.693 6.545 2.954 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.600 6.116 4.407 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -9.407 6.229 5.109 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -11.705 5.598 5.071 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -9.318 5.838 6.432 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -11.624 5.205 6.393 1.00 4.07 C ATOM 1102 CZ TYR A 70 -10.429 5.327 7.069 1.00 4.67 C ATOM 1103 OH TYR A 70 -10.346 4.937 8.386 1.00 5.65 O ATOM 0 H TYR A 70 -8.518 4.877 3.325 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.619 5.220 1.270 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -10.331 7.570 2.869 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.742 6.552 2.658 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -8.535 6.629 4.613 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -12.643 5.501 4.545 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -8.383 5.932 6.964 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -12.493 4.804 6.894 1.00 4.07 H new ATOM 0 HH TYR A 70 -11.217 4.601 8.683 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.281 6.953 0.015 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.402 7.769 -0.813 1.00 2.02 C ATOM 1115 C VAL A 71 -8.261 9.181 -0.256 1.00 2.00 C ATOM 1116 O VAL A 71 -9.238 9.787 0.181 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.919 7.853 -2.261 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -10.259 8.571 -2.310 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -7.901 8.547 -3.151 1.00 3.61 C ATOM 0 H VAL A 71 -10.192 6.759 -0.400 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.426 7.284 -0.805 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.063 6.839 -2.635 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -10.608 8.620 -3.341 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -10.986 8.027 -1.707 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -10.145 9.581 -1.917 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -8.283 8.597 -4.170 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -7.722 9.556 -2.780 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -6.967 7.986 -3.141 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.039 9.704 -0.282 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.798 11.047 0.215 1.00 1.87 C ATOM 1131 C GLY A 72 -5.786 11.103 1.346 1.00 1.57 C ATOM 1132 O GLY A 72 -5.409 12.188 1.787 1.00 1.63 O ATOM 0 H GLY A 72 -6.213 9.223 -0.638 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.448 11.672 -0.606 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.740 11.473 0.560 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.340 9.943 1.822 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.366 9.899 2.908 1.00 1.09 C ATOM 1138 C LYS A 73 -3.568 8.594 2.886 1.00 0.83 C ATOM 1139 O LYS A 73 -4.145 7.509 2.829 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.075 10.050 4.255 1.00 1.27 C ATOM 1141 CG LYS A 73 -6.247 9.098 4.437 1.00 1.59 C ATOM 1142 CD LYS A 73 -5.931 8.011 5.451 1.00 1.98 C ATOM 1143 CE LYS A 73 -5.571 8.602 6.804 1.00 2.32 C ATOM 1144 NZ LYS A 73 -5.975 7.709 7.925 1.00 2.96 N ATOM 0 H LYS A 73 -5.634 9.030 1.477 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.670 10.726 2.769 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -4.355 9.883 5.056 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.432 11.075 4.355 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -7.124 9.657 4.763 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -6.498 8.642 3.480 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -6.791 7.350 5.558 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -5.104 7.401 5.087 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -4.496 8.778 6.849 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -6.057 9.571 6.918 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -5.365 7.888 8.748 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -6.965 7.898 8.180 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -5.877 6.716 7.631 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.224 8.681 2.936 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.356 7.497 2.925 1.00 0.64 C ATOM 1160 C PRO A 74 -1.687 6.536 4.059 1.00 0.53 C ATOM 1161 O PRO A 74 -2.215 6.942 5.094 1.00 0.75 O ATOM 1162 CB PRO A 74 0.051 8.076 3.112 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.053 9.492 2.663 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.447 9.931 3.011 1.00 0.91 C ATOM 0 HA PRO A 74 -1.470 6.917 2.009 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.368 8.014 4.153 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.785 7.528 2.522 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.689 10.116 3.161 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.127 9.577 1.591 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.493 10.374 4.006 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.820 10.679 2.311 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.377 5.259 3.861 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.650 4.250 4.876 1.00 0.49 C ATOM 1174 C LEU A 75 -0.373 3.532 5.309 1.00 0.46 C ATOM 1175 O LEU A 75 -0.252 3.120 6.462 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.680 3.239 4.365 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.154 2.217 3.356 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -2.292 0.805 3.907 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.890 2.347 2.030 1.00 1.32 C ATOM 0 H LEU A 75 -0.939 4.901 3.012 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.059 4.761 5.748 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -3.091 2.702 5.220 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.504 3.786 3.906 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.097 2.418 3.183 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.913 0.091 3.176 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.720 0.717 4.831 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -3.342 0.594 4.109 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.502 1.612 1.325 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.955 2.173 2.186 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -2.741 3.349 1.628 1.00 1.32 H new ATOM 1191 N VAL A 76 0.581 3.385 4.391 1.00 0.32 N ATOM 1192 CA VAL A 76 1.839 2.714 4.719 1.00 0.29 C ATOM 1193 C VAL A 76 3.041 3.464 4.157 1.00 0.27 C ATOM 1194 O VAL A 76 2.968 4.054 3.081 1.00 0.35 O ATOM 1195 CB VAL A 76 1.868 1.268 4.189 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.795 1.254 2.673 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.120 0.552 4.670 1.00 0.47 C ATOM 0 H VAL A 76 0.510 3.715 3.429 1.00 0.32 H new ATOM 0 HA VAL A 76 1.900 2.700 5.807 1.00 0.29 H new ATOM 0 HB VAL A 76 0.997 0.740 4.578 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.817 0.224 2.317 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.870 1.730 2.349 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.646 1.798 2.263 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.125 -0.468 4.287 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.003 1.080 4.309 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.131 0.531 5.760 1.00 0.47 H new ATOM 1207 N ASP A 77 4.152 3.428 4.892 1.00 0.30 N ATOM 1208 CA ASP A 77 5.376 4.094 4.469 1.00 0.41 C ATOM 1209 C ASP A 77 6.447 3.058 4.139 1.00 0.38 C ATOM 1210 O ASP A 77 6.731 2.174 4.946 1.00 0.41 O ATOM 1211 CB ASP A 77 5.894 5.029 5.567 1.00 0.58 C ATOM 1212 CG ASP A 77 4.791 5.632 6.423 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.617 5.606 5.998 1.00 1.10 O ATOM 1214 OD2 ASP A 77 5.106 6.132 7.524 1.00 0.87 O ATOM 0 H ASP A 77 4.226 2.942 5.786 1.00 0.30 H new ATOM 0 HA ASP A 77 5.152 4.685 3.581 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.580 4.477 6.209 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.467 5.834 5.107 1.00 0.58 H new ATOM 1219 N ILE A 78 7.037 3.165 2.955 1.00 0.44 N ATOM 1220 CA ILE A 78 8.075 2.225 2.536 1.00 0.42 C ATOM 1221 C ILE A 78 9.194 2.946 1.806 1.00 0.41 C ATOM 1222 O ILE A 78 8.953 3.929 1.115 1.00 0.51 O ATOM 1223 CB ILE A 78 7.520 1.129 1.605 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.053 0.830 1.928 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.366 -0.131 1.712 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.085 1.709 1.167 1.00 0.86 C ATOM 0 H ILE A 78 6.818 3.888 2.270 1.00 0.44 H new ATOM 0 HA ILE A 78 8.455 1.761 3.446 1.00 0.42 H new ATOM 0 HB ILE A 78 7.568 1.491 0.578 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.843 -0.215 1.699 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.889 0.961 2.998 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.963 -0.897 1.049 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.393 0.095 1.424 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.349 -0.494 2.739 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.063 1.447 1.441 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.270 2.754 1.415 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.223 1.560 0.096 1.00 0.86 H new ATOM 1238 N GLU A 79 10.419 2.450 1.939 1.00 0.29 N ATOM 1239 CA GLU A 79 11.544 3.072 1.258 1.00 0.29 C ATOM 1240 C GLU A 79 11.890 2.297 -0.005 1.00 0.47 C ATOM 1241 O GLU A 79 12.354 1.161 0.061 1.00 0.79 O ATOM 1242 CB GLU A 79 12.760 3.132 2.183 1.00 0.62 C ATOM 1243 CG GLU A 79 13.110 4.539 2.638 1.00 0.92 C ATOM 1244 CD GLU A 79 14.580 4.861 2.460 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.400 4.352 3.253 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.912 5.624 1.528 1.00 1.09 O ATOM 0 H GLU A 79 10.655 1.633 2.502 1.00 0.29 H new ATOM 0 HA GLU A 79 11.262 4.088 0.983 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.570 2.513 3.059 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.619 2.701 1.668 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.514 5.257 2.075 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.841 4.655 3.688 1.00 0.92 H new ATOM 1253 N THR A 80 11.662 2.929 -1.149 1.00 0.64 N ATOM 1254 CA THR A 80 11.944 2.325 -2.444 1.00 1.05 C ATOM 1255 C THR A 80 12.451 3.377 -3.419 1.00 1.00 C ATOM 1256 O THR A 80 12.196 4.568 -3.237 1.00 1.22 O ATOM 1257 CB THR A 80 10.700 1.639 -3.037 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.522 2.361 -2.672 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.585 0.203 -2.550 1.00 1.18 C ATOM 0 H THR A 80 11.277 3.872 -1.205 1.00 0.64 H new ATOM 0 HA THR A 80 12.711 1.567 -2.287 1.00 1.05 H new ATOM 0 HB THR A 80 10.804 1.632 -4.122 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.172 2.010 -1.827 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.698 -0.258 -2.984 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.470 -0.356 -2.854 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.505 0.193 -1.463 1.00 1.18 H new ATOM 1267 N GLU A 81 13.160 2.949 -4.455 1.00 1.27 N ATOM 1268 CA GLU A 81 13.677 3.888 -5.441 1.00 1.30 C ATOM 1269 C GLU A 81 12.533 4.709 -6.030 1.00 1.99 C ATOM 1270 O GLU A 81 11.387 4.261 -6.054 1.00 2.56 O ATOM 1271 CB GLU A 81 14.415 3.145 -6.556 1.00 1.53 C ATOM 1272 CG GLU A 81 15.269 4.053 -7.428 1.00 1.62 C ATOM 1273 CD GLU A 81 14.562 4.480 -8.700 1.00 2.40 C ATOM 1274 OE1 GLU A 81 13.403 4.060 -8.905 1.00 3.13 O ATOM 1275 OE2 GLU A 81 15.167 5.234 -9.491 1.00 2.85 O ATOM 0 H GLU A 81 13.388 1.971 -4.633 1.00 1.27 H new ATOM 0 HA GLU A 81 14.380 4.558 -4.946 1.00 1.30 H new ATOM 0 HB2 GLU A 81 15.050 2.378 -6.112 1.00 1.53 H new ATOM 0 HB3 GLU A 81 13.687 2.632 -7.184 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.548 4.939 -6.858 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.193 3.536 -7.687 1.00 1.62 H new ATOM 1282 N ALA A 82 12.849 5.920 -6.484 1.00 2.01 N ATOM 1283 CA ALA A 82 11.850 6.827 -7.057 1.00 2.67 C ATOM 1284 C ALA A 82 10.808 6.092 -7.901 1.00 3.02 C ATOM 1285 O ALA A 82 11.114 5.576 -8.976 1.00 3.10 O ATOM 1286 CB ALA A 82 12.535 7.899 -7.892 1.00 2.85 C ATOM 0 H ALA A 82 13.795 6.300 -6.467 1.00 2.01 H new ATOM 0 HA ALA A 82 11.322 7.291 -6.224 1.00 2.67 H new ATOM 0 HB1 ALA A 82 11.784 8.567 -8.313 1.00 2.85 H new ATOM 0 HB2 ALA A 82 13.217 8.470 -7.262 1.00 2.85 H new ATOM 0 HB3 ALA A 82 13.095 7.428 -8.700 1.00 2.85 H new ATOM 1292 N LEU A 83 9.571 6.063 -7.409 1.00 3.31 N ATOM 1293 CA LEU A 83 8.477 5.407 -8.119 1.00 3.73 C ATOM 1294 C LEU A 83 7.401 6.423 -8.500 1.00 4.31 C ATOM 1295 O LEU A 83 6.841 7.103 -7.641 1.00 4.31 O ATOM 1296 CB LEU A 83 7.864 4.289 -7.264 1.00 3.56 C ATOM 1297 CG LEU A 83 8.748 3.051 -7.054 1.00 3.51 C ATOM 1298 CD1 LEU A 83 7.903 1.860 -6.625 1.00 3.49 C ATOM 1299 CD2 LEU A 83 9.528 2.717 -8.319 1.00 3.60 C ATOM 0 H LEU A 83 9.302 6.487 -6.521 1.00 3.31 H new ATOM 0 HA LEU A 83 8.883 4.965 -9.029 1.00 3.73 H new ATOM 0 HB2 LEU A 83 7.610 4.701 -6.287 1.00 3.56 H new ATOM 0 HB3 LEU A 83 6.930 3.972 -7.729 1.00 3.56 H new ATOM 0 HG LEU A 83 9.463 3.277 -6.263 1.00 3.51 H new ATOM 0 HD11 LEU A 83 8.545 0.991 -6.481 1.00 3.49 H new ATOM 0 HD12 LEU A 83 7.393 2.094 -5.690 1.00 3.49 H new ATOM 0 HD13 LEU A 83 7.165 1.641 -7.396 1.00 3.49 H new ATOM 0 HD21 LEU A 83 10.146 1.836 -8.144 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.832 2.515 -9.133 1.00 3.60 H new ATOM 0 HD23 LEU A 83 10.165 3.560 -8.587 1.00 3.60 H new