USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 48 HIS : no HD1:sc= -2.37 K(o=-2.2,f=-4.3!) USER MOD Set 1.2: A 52 THR OG1 : rot -67:sc= 0.126 USER MOD Set 2.1: A 32 GLN : amide:sc= -1.22! K(o=-0.64!,f=0.3) USER MOD Set 2.2: A 46 SER OG : rot -145:sc= 0.583 USER MOD Set 3.1: A 37 ASN : amide:sc= 0.426 K(o=-1.1,f=-5.2!) USER MOD Set 3.2: A 42 GLN : amide:sc= -1.51! C(o=-1.1!,f=-4.2!) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= -0.0897 USER MOD Set 4.2: A 17 CYS SG : rot 180:sc= 0.0133 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.814 (180deg=0.448) USER MOD Single : A 3 GLN : amide:sc= 0.947 K(o=0.95,f=-6.2!) USER MOD Single : A 4 THR OG1 : rot 44:sc= 0.0502 USER MOD Single : A 6 ASN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 8 GLN : amide:sc= 1.08 K(o=1.1,f=-1.2) USER MOD Single : A 12 MET CE :methyl 170:sc= 0 (180deg=-0.229) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= -0.009 (180deg=-0.0488) USER MOD Single : A 33 SER OG : rot 57:sc= 1.29 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.469 USER MOD Single : A 35 GLN : amide:sc= -0.0678 X(o=-0.068,f=0) USER MOD Single : A 47 TYR OH : rot 147:sc= 0.0973 USER MOD Single : A 51 THR OG1 : rot -51:sc= 0.356 USER MOD Single : A 54 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 160:sc= 0.73 USER MOD Single : A 66 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-2.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.455 K(o=0.46,f=-7.3!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.055 -11.018 -13.780 1.00 6.32 N ATOM 2 CA MET A 1 -5.700 -12.455 -13.700 1.00 5.63 C ATOM 3 C MET A 1 -5.653 -12.777 -12.218 1.00 4.20 C ATOM 4 O MET A 1 -6.711 -12.713 -11.612 1.00 4.14 O ATOM 5 CB MET A 1 -4.406 -12.790 -14.461 1.00 6.15 C ATOM 6 CG MET A 1 -4.599 -12.721 -15.979 1.00 7.61 C ATOM 7 SD MET A 1 -3.085 -13.115 -16.883 1.00 9.08 S ATOM 8 CE MET A 1 -3.692 -13.046 -18.592 1.00 10.25 C ATOM 0 H1 MET A 1 -5.648 -10.607 -14.644 1.00 6.32 H new ATOM 0 H2 MET A 1 -7.090 -10.917 -13.803 1.00 6.32 H new ATOM 0 H3 MET A 1 -5.677 -10.520 -12.949 1.00 6.32 H new ATOM 0 HA MET A 1 -6.438 -13.084 -14.199 1.00 5.63 H new ATOM 0 HB2 MET A 1 -3.620 -12.096 -14.163 1.00 6.15 H new ATOM 0 HB3 MET A 1 -4.070 -13.789 -14.183 1.00 6.15 H new ATOM 0 HG2 MET A 1 -5.386 -13.414 -16.275 1.00 7.61 H new ATOM 0 HG3 MET A 1 -4.934 -11.721 -16.255 1.00 7.61 H new ATOM 0 HE1 MET A 1 -2.874 -13.267 -19.278 1.00 10.25 H new ATOM 0 HE2 MET A 1 -4.487 -13.780 -18.726 1.00 10.25 H new ATOM 0 HE3 MET A 1 -4.080 -12.049 -18.800 1.00 10.25 H new ATOM 20 N ALA A 2 -4.471 -12.895 -11.603 1.00 3.72 N ATOM 21 CA ALA A 2 -4.290 -12.304 -10.275 1.00 2.66 C ATOM 22 C ALA A 2 -4.617 -10.791 -10.313 1.00 1.94 C ATOM 23 O ALA A 2 -4.662 -10.188 -11.396 1.00 2.54 O ATOM 24 CB ALA A 2 -2.851 -12.576 -9.815 1.00 3.14 C ATOM 0 H ALA A 2 -3.656 -13.374 -11.985 1.00 3.72 H new ATOM 0 HA ALA A 2 -4.975 -12.755 -9.557 1.00 2.66 H new ATOM 0 HB1 ALA A 2 -2.697 -12.143 -8.827 1.00 3.14 H new ATOM 0 HB2 ALA A 2 -2.680 -13.652 -9.770 1.00 3.14 H new ATOM 0 HB3 ALA A 2 -2.152 -12.127 -10.521 1.00 3.14 H new ATOM 30 N GLN A 3 -4.842 -10.189 -9.145 1.00 1.32 N ATOM 31 CA GLN A 3 -5.285 -8.804 -8.967 1.00 1.18 C ATOM 32 C GLN A 3 -4.221 -7.935 -8.264 1.00 0.94 C ATOM 33 O GLN A 3 -4.533 -7.128 -7.390 1.00 1.16 O ATOM 34 CB GLN A 3 -6.673 -8.794 -8.281 1.00 1.94 C ATOM 35 CG GLN A 3 -6.774 -9.324 -6.831 1.00 3.30 C ATOM 36 CD GLN A 3 -6.904 -10.844 -6.685 1.00 4.70 C ATOM 37 OE1 GLN A 3 -6.100 -11.621 -7.186 1.00 4.82 O ATOM 38 NE2 GLN A 3 -7.928 -11.327 -6.016 1.00 6.16 N ATOM 0 H GLN A 3 -4.715 -10.674 -8.257 1.00 1.32 H new ATOM 0 HA GLN A 3 -5.405 -8.332 -9.942 1.00 1.18 H new ATOM 0 HB2 GLN A 3 -7.040 -7.768 -8.287 1.00 1.94 H new ATOM 0 HB3 GLN A 3 -7.354 -9.380 -8.898 1.00 1.94 H new ATOM 0 HG2 GLN A 3 -5.889 -8.999 -6.283 1.00 3.30 H new ATOM 0 HG3 GLN A 3 -7.635 -8.857 -6.352 1.00 3.30 H new ATOM 0 HE21 GLN A 3 -8.606 -10.693 -5.593 1.00 6.16 H new ATOM 0 HE22 GLN A 3 -8.044 -12.336 -5.920 1.00 6.16 H new ATOM 47 N THR A 4 -2.938 -8.098 -8.625 1.00 0.83 N ATOM 48 CA THR A 4 -1.832 -7.355 -8.002 1.00 0.76 C ATOM 49 C THR A 4 -1.492 -6.082 -8.768 1.00 0.89 C ATOM 50 O THR A 4 -1.482 -6.051 -9.996 1.00 1.22 O ATOM 51 CB THR A 4 -0.597 -8.249 -7.766 1.00 0.82 C ATOM 52 OG1 THR A 4 0.434 -7.470 -7.211 1.00 1.05 O ATOM 53 CG2 THR A 4 -0.047 -8.896 -9.039 1.00 1.20 C ATOM 0 H THR A 4 -2.640 -8.746 -9.354 1.00 0.83 H new ATOM 0 HA THR A 4 -2.178 -7.038 -7.018 1.00 0.76 H new ATOM 0 HB THR A 4 -0.926 -9.048 -7.102 1.00 0.82 H new ATOM 0 HG1 THR A 4 0.066 -6.889 -6.513 1.00 1.05 H new ATOM 0 HG21 THR A 4 0.820 -9.508 -8.791 1.00 1.20 H new ATOM 0 HG22 THR A 4 -0.816 -9.522 -9.491 1.00 1.20 H new ATOM 0 HG23 THR A 4 0.248 -8.119 -9.744 1.00 1.20 H new ATOM 61 N ILE A 5 -1.182 -5.037 -7.998 1.00 0.72 N ATOM 62 CA ILE A 5 -0.440 -3.854 -8.430 1.00 0.76 C ATOM 63 C ILE A 5 0.880 -3.842 -7.645 1.00 0.59 C ATOM 64 O ILE A 5 0.885 -4.092 -6.434 1.00 0.54 O ATOM 65 CB ILE A 5 -1.253 -2.551 -8.191 1.00 0.96 C ATOM 66 CG1 ILE A 5 -2.552 -2.463 -9.034 1.00 1.38 C ATOM 67 CG2 ILE A 5 -0.396 -1.311 -8.526 1.00 0.99 C ATOM 68 CD1 ILE A 5 -3.751 -3.240 -8.475 1.00 1.49 C ATOM 0 H ILE A 5 -1.453 -4.991 -7.016 1.00 0.72 H new ATOM 0 HA ILE A 5 -0.249 -3.895 -9.502 1.00 0.76 H new ATOM 0 HB ILE A 5 -1.530 -2.576 -7.137 1.00 0.96 H new ATOM 0 HG12 ILE A 5 -2.833 -1.414 -9.130 1.00 1.38 H new ATOM 0 HG13 ILE A 5 -2.339 -2.829 -10.038 1.00 1.38 H new ATOM 0 HG21 ILE A 5 -0.980 -0.407 -8.353 1.00 0.99 H new ATOM 0 HG22 ILE A 5 0.489 -1.298 -7.890 1.00 0.99 H new ATOM 0 HG23 ILE A 5 -0.091 -1.351 -9.572 1.00 0.99 H new ATOM 0 HD11 ILE A 5 -4.607 -3.114 -9.137 1.00 1.49 H new ATOM 0 HD12 ILE A 5 -3.499 -4.298 -8.406 1.00 1.49 H new ATOM 0 HD13 ILE A 5 -4.000 -2.861 -7.484 1.00 1.49 H new ATOM 80 N ASN A 6 1.972 -3.507 -8.330 1.00 0.64 N ATOM 81 CA ASN A 6 3.257 -3.132 -7.742 1.00 0.57 C ATOM 82 C ASN A 6 3.630 -1.721 -8.226 1.00 0.52 C ATOM 83 O ASN A 6 3.390 -1.370 -9.383 1.00 0.76 O ATOM 84 CB ASN A 6 4.343 -4.161 -8.099 1.00 0.71 C ATOM 85 CG ASN A 6 4.571 -4.269 -9.600 1.00 0.98 C ATOM 86 OD1 ASN A 6 5.523 -3.738 -10.147 1.00 2.09 O ATOM 87 ND2 ASN A 6 3.674 -4.928 -10.307 1.00 1.09 N ATOM 0 H ASN A 6 1.987 -3.489 -9.350 1.00 0.64 H new ATOM 0 HA ASN A 6 3.177 -3.123 -6.655 1.00 0.57 H new ATOM 0 HB2 ASN A 6 5.277 -3.883 -7.612 1.00 0.71 H new ATOM 0 HB3 ASN A 6 4.057 -5.137 -7.707 1.00 0.71 H new ATOM 0 HD21 ASN A 6 3.773 -4.997 -11.320 1.00 1.09 H new ATOM 0 HD22 ASN A 6 2.881 -5.369 -9.841 1.00 1.09 H new ATOM 94 N LEU A 7 4.161 -0.897 -7.324 1.00 0.44 N ATOM 95 CA LEU A 7 4.403 0.529 -7.534 1.00 0.42 C ATOM 96 C LEU A 7 5.443 1.051 -6.529 1.00 0.40 C ATOM 97 O LEU A 7 5.876 0.307 -5.658 1.00 0.43 O ATOM 98 CB LEU A 7 3.058 1.290 -7.554 1.00 0.44 C ATOM 99 CG LEU A 7 2.431 1.689 -6.200 1.00 0.48 C ATOM 100 CD1 LEU A 7 1.144 2.478 -6.463 1.00 0.57 C ATOM 101 CD2 LEU A 7 2.105 0.490 -5.298 1.00 0.52 C ATOM 0 H LEU A 7 4.444 -1.214 -6.397 1.00 0.44 H new ATOM 0 HA LEU A 7 4.851 0.708 -8.511 1.00 0.42 H new ATOM 0 HB2 LEU A 7 3.197 2.199 -8.138 1.00 0.44 H new ATOM 0 HB3 LEU A 7 2.334 0.675 -8.089 1.00 0.44 H new ATOM 0 HG LEU A 7 3.172 2.290 -5.672 1.00 0.48 H new ATOM 0 HD11 LEU A 7 0.693 2.765 -5.513 1.00 0.57 H new ATOM 0 HD12 LEU A 7 1.377 3.373 -7.039 1.00 0.57 H new ATOM 0 HD13 LEU A 7 0.445 1.858 -7.024 1.00 0.57 H new ATOM 0 HD21 LEU A 7 1.668 0.845 -4.365 1.00 0.52 H new ATOM 0 HD22 LEU A 7 1.396 -0.165 -5.805 1.00 0.52 H new ATOM 0 HD23 LEU A 7 3.019 -0.063 -5.083 1.00 0.52 H new ATOM 113 N GLN A 8 5.869 2.304 -6.641 1.00 0.39 N ATOM 114 CA GLN A 8 6.709 3.006 -5.662 1.00 0.40 C ATOM 115 C GLN A 8 5.844 3.843 -4.718 1.00 0.38 C ATOM 116 O GLN A 8 4.647 4.003 -4.946 1.00 0.44 O ATOM 117 CB GLN A 8 7.777 3.828 -6.400 1.00 0.50 C ATOM 118 CG GLN A 8 9.007 2.962 -6.714 1.00 0.60 C ATOM 119 CD GLN A 8 9.937 3.635 -7.728 1.00 0.82 C ATOM 120 OE1 GLN A 8 10.026 3.231 -8.879 1.00 1.02 O ATOM 121 NE2 GLN A 8 10.635 4.694 -7.373 1.00 1.16 N ATOM 0 H GLN A 8 5.633 2.886 -7.445 1.00 0.39 H new ATOM 0 HA GLN A 8 7.235 2.288 -5.032 1.00 0.40 H new ATOM 0 HB2 GLN A 8 7.361 4.227 -7.325 1.00 0.50 H new ATOM 0 HB3 GLN A 8 8.073 4.681 -5.789 1.00 0.50 H new ATOM 0 HG2 GLN A 8 9.556 2.764 -5.793 1.00 0.60 H new ATOM 0 HG3 GLN A 8 8.682 1.998 -7.104 1.00 0.60 H new ATOM 0 HE21 GLN A 8 10.575 5.047 -6.418 1.00 1.16 H new ATOM 0 HE22 GLN A 8 11.235 5.161 -8.053 1.00 1.16 H new ATOM 130 N LEU A 9 6.424 4.417 -3.664 1.00 0.51 N ATOM 131 CA LEU A 9 5.654 5.090 -2.621 1.00 0.52 C ATOM 132 C LEU A 9 6.278 6.457 -2.292 1.00 0.64 C ATOM 133 O LEU A 9 7.209 6.561 -1.496 1.00 0.93 O ATOM 134 CB LEU A 9 5.531 4.117 -1.424 1.00 0.55 C ATOM 135 CG LEU A 9 4.083 3.883 -0.981 1.00 0.76 C ATOM 136 CD1 LEU A 9 3.256 3.161 -2.061 1.00 2.03 C ATOM 137 CD2 LEU A 9 4.076 3.035 0.296 1.00 1.65 C ATOM 0 H LEU A 9 7.432 4.428 -3.511 1.00 0.51 H new ATOM 0 HA LEU A 9 4.641 5.328 -2.945 1.00 0.52 H new ATOM 0 HB2 LEU A 9 5.980 3.161 -1.694 1.00 0.55 H new ATOM 0 HB3 LEU A 9 6.102 4.512 -0.583 1.00 0.55 H new ATOM 0 HG LEU A 9 3.630 4.859 -0.804 1.00 0.76 H new ATOM 0 HD11 LEU A 9 2.237 3.017 -1.703 1.00 2.03 H new ATOM 0 HD12 LEU A 9 3.240 3.763 -2.970 1.00 2.03 H new ATOM 0 HD13 LEU A 9 3.706 2.192 -2.276 1.00 2.03 H new ATOM 0 HD21 LEU A 9 3.047 2.866 0.615 1.00 1.65 H new ATOM 0 HD22 LEU A 9 4.557 2.077 0.099 1.00 1.65 H new ATOM 0 HD23 LEU A 9 4.619 3.558 1.083 1.00 1.65 H new ATOM 149 N GLU A 10 5.749 7.512 -2.912 1.00 0.90 N ATOM 150 CA GLU A 10 6.294 8.869 -2.871 1.00 1.01 C ATOM 151 C GLU A 10 6.248 9.432 -1.451 1.00 0.99 C ATOM 152 O GLU A 10 5.176 9.628 -0.873 1.00 1.11 O ATOM 153 CB GLU A 10 5.513 9.785 -3.836 1.00 1.15 C ATOM 154 CG GLU A 10 6.353 10.235 -5.041 1.00 1.79 C ATOM 155 CD GLU A 10 5.509 10.643 -6.256 1.00 2.55 C ATOM 156 OE1 GLU A 10 4.337 10.224 -6.359 1.00 3.45 O ATOM 157 OE2 GLU A 10 6.094 11.232 -7.192 1.00 3.34 O ATOM 0 H GLU A 10 4.901 7.443 -3.475 1.00 0.90 H new ATOM 0 HA GLU A 10 7.336 8.829 -3.187 1.00 1.01 H new ATOM 0 HB2 GLU A 10 4.628 9.259 -4.192 1.00 1.15 H new ATOM 0 HB3 GLU A 10 5.165 10.664 -3.293 1.00 1.15 H new ATOM 0 HG2 GLU A 10 6.979 11.077 -4.744 1.00 1.79 H new ATOM 0 HG3 GLU A 10 7.023 9.425 -5.329 1.00 1.79 H new ATOM 164 N GLY A 11 7.431 9.711 -0.903 1.00 1.37 N ATOM 165 CA GLY A 11 7.572 10.336 0.410 1.00 1.67 C ATOM 166 C GLY A 11 7.658 9.354 1.575 1.00 1.35 C ATOM 167 O GLY A 11 7.641 9.823 2.712 1.00 1.54 O ATOM 0 H GLY A 11 8.320 9.509 -1.360 1.00 1.37 H new ATOM 0 HA2 GLY A 11 8.468 10.957 0.408 1.00 1.67 H new ATOM 0 HA3 GLY A 11 6.724 11.001 0.574 1.00 1.67 H new ATOM 171 N MET A 12 7.789 8.039 1.337 1.00 1.28 N ATOM 172 CA MET A 12 8.028 7.019 2.361 1.00 1.25 C ATOM 173 C MET A 12 9.158 7.412 3.342 1.00 1.13 C ATOM 174 O MET A 12 10.332 7.398 2.981 1.00 1.87 O ATOM 175 CB MET A 12 8.305 5.673 1.666 1.00 1.66 C ATOM 176 CG MET A 12 7.755 4.532 2.511 1.00 2.42 C ATOM 177 SD MET A 12 8.515 2.916 2.226 1.00 3.12 S ATOM 178 CE MET A 12 7.961 2.560 0.545 1.00 4.22 C ATOM 0 H MET A 12 7.729 7.648 0.397 1.00 1.28 H new ATOM 0 HA MET A 12 7.134 6.928 2.978 1.00 1.25 H new ATOM 0 HB2 MET A 12 7.843 5.662 0.679 1.00 1.66 H new ATOM 0 HB3 MET A 12 9.377 5.544 1.518 1.00 1.66 H new ATOM 0 HG2 MET A 12 7.876 4.791 3.563 1.00 2.42 H new ATOM 0 HG3 MET A 12 6.684 4.448 2.325 1.00 2.42 H new ATOM 0 HE1 MET A 12 8.490 1.686 0.165 1.00 4.22 H new ATOM 0 HE2 MET A 12 6.889 2.362 0.549 1.00 4.22 H new ATOM 0 HE3 MET A 12 8.169 3.417 -0.096 1.00 4.22 H new ATOM 188 N ARG A 13 8.809 7.810 4.578 1.00 1.22 N ATOM 189 CA ARG A 13 9.741 8.466 5.525 1.00 1.46 C ATOM 190 C ARG A 13 9.539 8.138 7.014 1.00 1.70 C ATOM 191 O ARG A 13 10.388 8.503 7.824 1.00 2.14 O ATOM 192 CB ARG A 13 9.703 9.993 5.319 1.00 1.86 C ATOM 193 CG ARG A 13 10.544 10.434 4.112 1.00 2.33 C ATOM 194 CD ARG A 13 10.505 11.950 3.929 1.00 2.95 C ATOM 195 NE ARG A 13 11.294 12.341 2.747 1.00 3.68 N ATOM 196 CZ ARG A 13 12.084 13.401 2.615 1.00 4.53 C ATOM 197 NH1 ARG A 13 12.266 14.275 3.588 1.00 5.17 N ATOM 198 NH2 ARG A 13 12.716 13.587 1.475 1.00 5.54 N ATOM 0 H ARG A 13 7.869 7.687 4.954 1.00 1.22 H new ATOM 0 HA ARG A 13 10.718 8.049 5.282 1.00 1.46 H new ATOM 0 HB2 ARG A 13 8.671 10.314 5.178 1.00 1.86 H new ATOM 0 HB3 ARG A 13 10.071 10.489 6.217 1.00 1.86 H new ATOM 0 HG2 ARG A 13 11.576 10.109 4.247 1.00 2.33 H new ATOM 0 HG3 ARG A 13 10.172 9.948 3.210 1.00 2.33 H new ATOM 0 HD2 ARG A 13 9.474 12.283 3.813 1.00 2.95 H new ATOM 0 HD3 ARG A 13 10.901 12.441 4.818 1.00 2.95 H new ATOM 0 HE ARG A 13 11.226 11.726 1.936 1.00 3.68 H new ATOM 0 HH11 ARG A 13 11.791 14.149 4.482 1.00 5.17 H new ATOM 0 HH12 ARG A 13 12.881 15.076 3.446 1.00 5.17 H new ATOM 0 HH21 ARG A 13 12.595 12.923 0.711 1.00 5.54 H new ATOM 0 HH22 ARG A 13 13.326 14.395 1.356 1.00 5.54 H new ATOM 212 N CYS A 14 8.481 7.421 7.403 1.00 2.27 N ATOM 213 CA CYS A 14 8.318 6.877 8.757 1.00 2.73 C ATOM 214 C CYS A 14 7.985 5.375 8.730 1.00 2.83 C ATOM 215 O CYS A 14 6.979 4.962 8.149 1.00 3.80 O ATOM 216 CB CYS A 14 7.236 7.682 9.485 1.00 4.01 C ATOM 217 SG CYS A 14 7.174 7.132 11.214 1.00 5.42 S ATOM 0 H CYS A 14 7.704 7.199 6.781 1.00 2.27 H new ATOM 0 HA CYS A 14 9.260 6.970 9.297 1.00 2.73 H new ATOM 0 HB2 CYS A 14 7.458 8.748 9.434 1.00 4.01 H new ATOM 0 HB3 CYS A 14 6.268 7.535 9.006 1.00 4.01 H new ATOM 0 HG CYS A 14 6.262 7.805 11.851 1.00 5.42 H new ATOM 223 N ALA A 15 8.802 4.562 9.403 1.00 2.68 N ATOM 224 CA ALA A 15 8.596 3.118 9.520 1.00 3.63 C ATOM 225 C ALA A 15 7.239 2.766 10.160 1.00 2.70 C ATOM 226 O ALA A 15 6.572 1.846 9.692 1.00 3.60 O ATOM 227 CB ALA A 15 9.774 2.532 10.309 1.00 5.28 C ATOM 0 H ALA A 15 9.636 4.893 9.888 1.00 2.68 H new ATOM 0 HA ALA A 15 8.563 2.677 8.524 1.00 3.63 H new ATOM 0 HB1 ALA A 15 9.644 1.455 10.410 1.00 5.28 H new ATOM 0 HB2 ALA A 15 10.704 2.737 9.780 1.00 5.28 H new ATOM 0 HB3 ALA A 15 9.812 2.987 11.299 1.00 5.28 H new ATOM 233 N ALA A 16 6.792 3.534 11.162 1.00 1.53 N ATOM 234 CA ALA A 16 5.481 3.356 11.789 1.00 1.45 C ATOM 235 C ALA A 16 4.339 3.570 10.781 1.00 1.27 C ATOM 236 O ALA A 16 3.538 2.663 10.573 1.00 1.57 O ATOM 237 CB ALA A 16 5.377 4.284 13.007 1.00 1.90 C ATOM 0 H ALA A 16 7.335 4.300 11.561 1.00 1.53 H new ATOM 0 HA ALA A 16 5.380 2.327 12.134 1.00 1.45 H new ATOM 0 HB1 ALA A 16 4.403 4.157 13.479 1.00 1.90 H new ATOM 0 HB2 ALA A 16 6.162 4.036 13.722 1.00 1.90 H new ATOM 0 HB3 ALA A 16 5.492 5.319 12.686 1.00 1.90 H new ATOM 243 N CYS A 17 4.298 4.719 10.091 1.00 0.95 N ATOM 244 CA CYS A 17 3.327 4.996 9.029 1.00 0.88 C ATOM 245 C CYS A 17 3.350 3.934 7.921 1.00 0.74 C ATOM 246 O CYS A 17 2.282 3.506 7.495 1.00 0.72 O ATOM 247 CB CYS A 17 3.573 6.401 8.454 1.00 1.07 C ATOM 248 SG CYS A 17 3.374 7.650 9.754 1.00 1.88 S ATOM 0 H CYS A 17 4.946 5.489 10.258 1.00 0.95 H new ATOM 0 HA CYS A 17 2.331 4.957 9.470 1.00 0.88 H new ATOM 0 HB2 CYS A 17 4.577 6.460 8.033 1.00 1.07 H new ATOM 0 HB3 CYS A 17 2.874 6.597 7.641 1.00 1.07 H new ATOM 0 HG CYS A 17 3.587 8.832 9.256 1.00 1.88 H new ATOM 254 N ALA A 18 4.536 3.493 7.479 1.00 0.79 N ATOM 255 CA ALA A 18 4.684 2.454 6.457 1.00 0.81 C ATOM 256 C ALA A 18 4.137 1.091 6.918 1.00 0.83 C ATOM 257 O ALA A 18 3.331 0.490 6.222 1.00 0.79 O ATOM 258 CB ALA A 18 6.159 2.370 6.047 1.00 0.97 C ATOM 0 H ALA A 18 5.426 3.852 7.825 1.00 0.79 H new ATOM 0 HA ALA A 18 4.083 2.728 5.590 1.00 0.81 H new ATOM 0 HB1 ALA A 18 6.282 1.599 5.286 1.00 0.97 H new ATOM 0 HB2 ALA A 18 6.480 3.331 5.645 1.00 0.97 H new ATOM 0 HB3 ALA A 18 6.765 2.120 6.918 1.00 0.97 H new ATOM 264 N SER A 19 4.485 0.616 8.114 1.00 1.05 N ATOM 265 CA SER A 19 3.939 -0.654 8.632 1.00 1.16 C ATOM 266 C SER A 19 2.431 -0.559 8.965 1.00 0.88 C ATOM 267 O SER A 19 1.682 -1.527 8.829 1.00 0.78 O ATOM 268 CB SER A 19 4.771 -1.103 9.843 1.00 1.64 C ATOM 269 OG SER A 19 4.547 -2.464 10.174 1.00 2.45 O ATOM 0 H SER A 19 5.138 1.082 8.744 1.00 1.05 H new ATOM 0 HA SER A 19 4.015 -1.409 7.849 1.00 1.16 H new ATOM 0 HB2 SER A 19 5.829 -0.952 9.630 1.00 1.64 H new ATOM 0 HB3 SER A 19 4.526 -0.477 10.701 1.00 1.64 H new ATOM 0 HG SER A 19 5.097 -2.707 10.948 1.00 2.45 H new ATOM 275 N SER A 20 1.936 0.638 9.291 1.00 0.83 N ATOM 276 CA SER A 20 0.503 0.942 9.407 1.00 0.74 C ATOM 277 C SER A 20 -0.252 0.951 8.056 1.00 0.55 C ATOM 278 O SER A 20 -1.488 1.000 8.047 1.00 0.65 O ATOM 279 CB SER A 20 0.336 2.266 10.167 1.00 0.89 C ATOM 280 OG SER A 20 -0.882 2.317 10.889 1.00 1.40 O ATOM 0 H SER A 20 2.532 1.442 9.486 1.00 0.83 H new ATOM 0 HA SER A 20 0.038 0.131 9.968 1.00 0.74 H new ATOM 0 HB2 SER A 20 1.171 2.396 10.856 1.00 0.89 H new ATOM 0 HB3 SER A 20 0.373 3.096 9.461 1.00 0.89 H new ATOM 0 HG SER A 20 -0.948 3.174 11.359 1.00 1.40 H new ATOM 286 N ILE A 21 0.453 0.873 6.916 1.00 0.47 N ATOM 287 CA ILE A 21 -0.127 0.448 5.627 1.00 0.51 C ATOM 288 C ILE A 21 -0.431 -1.047 5.718 1.00 0.61 C ATOM 289 O ILE A 21 -1.601 -1.404 5.844 1.00 0.71 O ATOM 290 CB ILE A 21 0.782 0.790 4.414 1.00 0.67 C ATOM 291 CG1 ILE A 21 1.159 2.287 4.415 1.00 0.72 C ATOM 292 CG2 ILE A 21 0.081 0.360 3.116 1.00 0.77 C ATOM 293 CD1 ILE A 21 2.003 2.755 3.230 1.00 0.76 C ATOM 0 H ILE A 21 1.445 1.103 6.860 1.00 0.47 H new ATOM 0 HA ILE A 21 -1.047 1.004 5.447 1.00 0.51 H new ATOM 0 HB ILE A 21 1.719 0.238 4.489 1.00 0.67 H new ATOM 0 HG12 ILE A 21 0.241 2.875 4.439 1.00 0.72 H new ATOM 0 HG13 ILE A 21 1.702 2.506 5.334 1.00 0.72 H new ATOM 0 HG21 ILE A 21 0.716 0.599 2.263 1.00 0.77 H new ATOM 0 HG22 ILE A 21 -0.104 -0.714 3.141 1.00 0.77 H new ATOM 0 HG23 ILE A 21 -0.867 0.890 3.022 1.00 0.77 H new ATOM 0 HD11 ILE A 21 2.211 3.820 3.329 1.00 0.76 H new ATOM 0 HD12 ILE A 21 2.942 2.202 3.211 1.00 0.76 H new ATOM 0 HD13 ILE A 21 1.459 2.577 2.303 1.00 0.76 H new ATOM 305 N GLU A 22 0.605 -1.893 5.763 1.00 0.63 N ATOM 306 CA GLU A 22 0.520 -3.362 5.811 1.00 0.79 C ATOM 307 C GLU A 22 -0.571 -3.837 6.781 1.00 0.73 C ATOM 308 O GLU A 22 -1.500 -4.561 6.417 1.00 0.74 O ATOM 309 CB GLU A 22 1.872 -3.970 6.265 1.00 1.01 C ATOM 310 CG GLU A 22 3.140 -3.532 5.515 1.00 1.21 C ATOM 311 CD GLU A 22 3.242 -4.144 4.124 1.00 1.06 C ATOM 312 OE1 GLU A 22 2.259 -4.027 3.371 1.00 2.88 O ATOM 313 OE2 GLU A 22 4.317 -4.689 3.790 1.00 1.77 O ATOM 0 H GLU A 22 1.569 -1.560 5.767 1.00 0.63 H new ATOM 0 HA GLU A 22 0.273 -3.697 4.804 1.00 0.79 H new ATOM 0 HB2 GLU A 22 2.008 -3.734 7.320 1.00 1.01 H new ATOM 0 HB3 GLU A 22 1.795 -5.055 6.188 1.00 1.01 H new ATOM 0 HG2 GLU A 22 3.150 -2.445 5.431 1.00 1.21 H new ATOM 0 HG3 GLU A 22 4.017 -3.815 6.097 1.00 1.21 H new ATOM 320 N ARG A 23 -0.501 -3.363 8.030 1.00 0.72 N ATOM 321 CA ARG A 23 -1.393 -3.768 9.114 1.00 0.77 C ATOM 322 C ARG A 23 -2.837 -3.269 8.949 1.00 0.74 C ATOM 323 O ARG A 23 -3.762 -3.848 9.527 1.00 0.78 O ATOM 324 CB ARG A 23 -0.781 -3.279 10.438 1.00 0.84 C ATOM 325 CG ARG A 23 -1.276 -4.092 11.639 1.00 1.04 C ATOM 326 CD ARG A 23 -0.626 -5.486 11.665 1.00 1.52 C ATOM 327 NE ARG A 23 -1.270 -6.379 12.642 1.00 1.89 N ATOM 328 CZ ARG A 23 -1.148 -6.340 13.963 1.00 2.18 C ATOM 329 NH1 ARG A 23 -0.408 -5.437 14.571 1.00 3.09 N ATOM 330 NH2 ARG A 23 -1.785 -7.224 14.699 1.00 2.50 N ATOM 0 H ARG A 23 0.193 -2.673 8.318 1.00 0.72 H new ATOM 0 HA ARG A 23 -1.474 -4.855 9.101 1.00 0.77 H new ATOM 0 HB2 ARG A 23 0.306 -3.344 10.380 1.00 0.84 H new ATOM 0 HB3 ARG A 23 -1.030 -2.228 10.585 1.00 0.84 H new ATOM 0 HG2 ARG A 23 -1.044 -3.561 12.563 1.00 1.04 H new ATOM 0 HG3 ARG A 23 -2.360 -4.193 11.593 1.00 1.04 H new ATOM 0 HD2 ARG A 23 -0.686 -5.932 10.672 1.00 1.52 H new ATOM 0 HD3 ARG A 23 0.432 -5.388 11.907 1.00 1.52 H new ATOM 0 HE ARG A 23 -1.876 -7.107 12.263 1.00 1.89 H new ATOM 0 HH11 ARG A 23 0.094 -4.737 14.025 1.00 3.09 H new ATOM 0 HH12 ARG A 23 -0.337 -5.437 15.589 1.00 3.09 H new ATOM 0 HH21 ARG A 23 -2.368 -7.933 14.254 1.00 2.50 H new ATOM 0 HH22 ARG A 23 -1.696 -7.201 15.715 1.00 2.50 H new ATOM 344 N ALA A 24 -3.051 -2.189 8.193 1.00 0.70 N ATOM 345 CA ALA A 24 -4.386 -1.738 7.810 1.00 0.71 C ATOM 346 C ALA A 24 -4.908 -2.517 6.594 1.00 0.70 C ATOM 347 O ALA A 24 -6.047 -2.987 6.635 1.00 0.79 O ATOM 348 CB ALA A 24 -4.360 -0.229 7.535 1.00 0.72 C ATOM 0 H ALA A 24 -2.299 -1.603 7.830 1.00 0.70 H new ATOM 0 HA ALA A 24 -5.073 -1.933 8.634 1.00 0.71 H new ATOM 0 HB1 ALA A 24 -5.357 0.106 7.249 1.00 0.72 H new ATOM 0 HB2 ALA A 24 -4.044 0.299 8.434 1.00 0.72 H new ATOM 0 HB3 ALA A 24 -3.661 -0.019 6.726 1.00 0.72 H new ATOM 354 N ILE A 25 -4.067 -2.691 5.565 1.00 0.65 N ATOM 355 CA ILE A 25 -4.369 -3.399 4.308 1.00 0.67 C ATOM 356 C ILE A 25 -4.764 -4.847 4.585 1.00 0.62 C ATOM 357 O ILE A 25 -5.675 -5.353 3.939 1.00 0.64 O ATOM 358 CB ILE A 25 -3.199 -3.282 3.297 1.00 0.79 C ATOM 359 CG1 ILE A 25 -3.124 -1.833 2.754 1.00 0.76 C ATOM 360 CG2 ILE A 25 -3.364 -4.260 2.120 1.00 1.01 C ATOM 361 CD1 ILE A 25 -2.185 -1.633 1.554 1.00 1.11 C ATOM 0 H ILE A 25 -3.114 -2.327 5.585 1.00 0.65 H new ATOM 0 HA ILE A 25 -5.227 -2.918 3.840 1.00 0.67 H new ATOM 0 HB ILE A 25 -2.278 -3.536 3.822 1.00 0.79 H new ATOM 0 HG12 ILE A 25 -4.127 -1.517 2.467 1.00 0.76 H new ATOM 0 HG13 ILE A 25 -2.801 -1.175 3.561 1.00 0.76 H new ATOM 0 HG21 ILE A 25 -2.525 -4.148 1.433 1.00 1.01 H new ATOM 0 HG22 ILE A 25 -3.390 -5.282 2.497 1.00 1.01 H new ATOM 0 HG23 ILE A 25 -4.294 -4.043 1.595 1.00 1.01 H new ATOM 0 HD11 ILE A 25 -2.203 -0.587 1.249 1.00 1.11 H new ATOM 0 HD12 ILE A 25 -1.170 -1.912 1.836 1.00 1.11 H new ATOM 0 HD13 ILE A 25 -2.516 -2.258 0.725 1.00 1.11 H new ATOM 373 N ALA A 26 -4.193 -5.447 5.629 1.00 0.59 N ATOM 374 CA ALA A 26 -4.551 -6.767 6.153 1.00 0.56 C ATOM 375 C ALA A 26 -6.064 -7.020 6.365 1.00 0.57 C ATOM 376 O ALA A 26 -6.457 -8.170 6.522 1.00 0.69 O ATOM 377 CB ALA A 26 -3.757 -6.977 7.449 1.00 0.60 C ATOM 0 H ALA A 26 -3.437 -5.009 6.155 1.00 0.59 H new ATOM 0 HA ALA A 26 -4.288 -7.501 5.391 1.00 0.56 H new ATOM 0 HB1 ALA A 26 -3.999 -7.953 7.870 1.00 0.60 H new ATOM 0 HB2 ALA A 26 -2.690 -6.929 7.234 1.00 0.60 H new ATOM 0 HB3 ALA A 26 -4.018 -6.198 8.166 1.00 0.60 H new ATOM 383 N LYS A 27 -6.927 -5.992 6.405 1.00 0.59 N ATOM 384 CA LYS A 27 -8.387 -6.135 6.424 1.00 0.71 C ATOM 385 C LYS A 27 -9.113 -5.847 5.085 1.00 0.67 C ATOM 386 O LYS A 27 -10.336 -5.971 5.034 1.00 0.76 O ATOM 387 CB LYS A 27 -8.912 -5.203 7.522 1.00 0.88 C ATOM 388 CG LYS A 27 -8.517 -5.685 8.923 1.00 1.26 C ATOM 389 CD LYS A 27 -7.152 -5.252 9.479 1.00 1.68 C ATOM 390 CE LYS A 27 -7.001 -3.732 9.625 1.00 1.75 C ATOM 391 NZ LYS A 27 -8.042 -3.132 10.498 1.00 2.55 N ATOM 0 H LYS A 27 -6.620 -5.019 6.425 1.00 0.59 H new ATOM 0 HA LYS A 27 -8.604 -7.186 6.613 1.00 0.71 H new ATOM 0 HB2 LYS A 27 -8.522 -4.198 7.361 1.00 0.88 H new ATOM 0 HB3 LYS A 27 -9.998 -5.138 7.454 1.00 0.88 H new ATOM 0 HG2 LYS A 27 -9.284 -5.347 9.620 1.00 1.26 H new ATOM 0 HG3 LYS A 27 -8.546 -6.775 8.921 1.00 1.26 H new ATOM 0 HD2 LYS A 27 -7.001 -5.719 10.452 1.00 1.68 H new ATOM 0 HD3 LYS A 27 -6.367 -5.625 8.822 1.00 1.68 H new ATOM 0 HE2 LYS A 27 -6.016 -3.507 10.034 1.00 1.75 H new ATOM 0 HE3 LYS A 27 -7.050 -3.270 8.639 1.00 1.75 H new ATOM 0 HZ1 LYS A 27 -7.853 -2.116 10.616 1.00 2.55 H new ATOM 0 HZ2 LYS A 27 -8.977 -3.262 10.062 1.00 2.55 H new ATOM 0 HZ3 LYS A 27 -8.026 -3.597 11.428 1.00 2.55 H new ATOM 405 N VAL A 28 -8.425 -5.409 4.028 1.00 0.65 N ATOM 406 CA VAL A 28 -9.057 -4.942 2.774 1.00 0.80 C ATOM 407 C VAL A 28 -9.657 -6.131 2.004 1.00 0.91 C ATOM 408 O VAL A 28 -9.001 -7.168 1.895 1.00 0.76 O ATOM 409 CB VAL A 28 -8.045 -4.136 1.921 1.00 0.91 C ATOM 410 CG1 VAL A 28 -8.533 -3.763 0.509 1.00 1.26 C ATOM 411 CG2 VAL A 28 -7.702 -2.828 2.654 1.00 1.30 C ATOM 0 H VAL A 28 -7.406 -5.365 4.010 1.00 0.65 H new ATOM 0 HA VAL A 28 -9.877 -4.266 3.016 1.00 0.80 H new ATOM 0 HB VAL A 28 -7.186 -4.795 1.794 1.00 0.91 H new ATOM 0 HG11 VAL A 28 -7.755 -3.201 -0.008 1.00 1.26 H new ATOM 0 HG12 VAL A 28 -8.757 -4.671 -0.050 1.00 1.26 H new ATOM 0 HG13 VAL A 28 -9.432 -3.152 0.584 1.00 1.26 H new ATOM 0 HG21 VAL A 28 -6.990 -2.254 2.061 1.00 1.30 H new ATOM 0 HG22 VAL A 28 -8.610 -2.242 2.797 1.00 1.30 H new ATOM 0 HG23 VAL A 28 -7.262 -3.059 3.624 1.00 1.30 H new ATOM 421 N PRO A 29 -10.896 -6.030 1.475 1.00 1.32 N ATOM 422 CA PRO A 29 -11.595 -7.170 0.889 1.00 1.64 C ATOM 423 C PRO A 29 -10.811 -7.762 -0.286 1.00 1.64 C ATOM 424 O PRO A 29 -10.474 -7.067 -1.241 1.00 3.34 O ATOM 425 CB PRO A 29 -12.990 -6.668 0.492 1.00 2.14 C ATOM 426 CG PRO A 29 -12.819 -5.152 0.402 1.00 2.13 C ATOM 427 CD PRO A 29 -11.776 -4.871 1.480 1.00 1.60 C ATOM 0 HA PRO A 29 -11.688 -7.991 1.600 1.00 1.64 H new ATOM 0 HB2 PRO A 29 -13.312 -7.092 -0.459 1.00 2.14 H new ATOM 0 HB3 PRO A 29 -13.740 -6.943 1.233 1.00 2.14 H new ATOM 0 HG2 PRO A 29 -12.476 -4.840 -0.585 1.00 2.13 H new ATOM 0 HG3 PRO A 29 -13.754 -4.626 0.595 1.00 2.13 H new ATOM 0 HD2 PRO A 29 -11.223 -3.957 1.264 1.00 1.60 H new ATOM 0 HD3 PRO A 29 -12.244 -4.737 2.455 1.00 1.60 H new ATOM 435 N GLY A 30 -10.484 -9.054 -0.186 1.00 0.86 N ATOM 436 CA GLY A 30 -9.655 -9.740 -1.180 1.00 1.01 C ATOM 437 C GLY A 30 -8.146 -9.499 -1.046 1.00 0.71 C ATOM 438 O GLY A 30 -7.412 -9.917 -1.937 1.00 0.79 O ATOM 0 H GLY A 30 -10.786 -9.651 0.584 1.00 0.86 H new ATOM 0 HA2 GLY A 30 -9.844 -10.811 -1.111 1.00 1.01 H new ATOM 0 HA3 GLY A 30 -9.971 -9.424 -2.174 1.00 1.01 H new ATOM 442 N VAL A 31 -7.668 -8.866 0.037 1.00 0.53 N ATOM 443 CA VAL A 31 -6.242 -8.881 0.438 1.00 0.47 C ATOM 444 C VAL A 31 -5.752 -10.328 0.501 1.00 0.56 C ATOM 445 O VAL A 31 -6.342 -11.183 1.164 1.00 0.76 O ATOM 446 CB VAL A 31 -5.963 -8.123 1.757 1.00 0.52 C ATOM 447 CG1 VAL A 31 -6.580 -8.774 3.007 1.00 0.94 C ATOM 448 CG2 VAL A 31 -4.448 -7.964 1.969 1.00 0.70 C ATOM 0 H VAL A 31 -8.260 -8.324 0.667 1.00 0.53 H new ATOM 0 HA VAL A 31 -5.680 -8.338 -0.321 1.00 0.47 H new ATOM 0 HB VAL A 31 -6.446 -7.153 1.640 1.00 0.52 H new ATOM 0 HG11 VAL A 31 -6.335 -8.178 3.886 1.00 0.94 H new ATOM 0 HG12 VAL A 31 -7.663 -8.826 2.893 1.00 0.94 H new ATOM 0 HG13 VAL A 31 -6.179 -9.780 3.128 1.00 0.94 H new ATOM 0 HG21 VAL A 31 -4.265 -7.429 2.901 1.00 0.70 H new ATOM 0 HG22 VAL A 31 -3.982 -8.948 2.018 1.00 0.70 H new ATOM 0 HG23 VAL A 31 -4.021 -7.402 1.138 1.00 0.70 H new ATOM 458 N GLN A 32 -4.673 -10.595 -0.229 1.00 0.66 N ATOM 459 CA GLN A 32 -4.032 -11.910 -0.269 1.00 0.82 C ATOM 460 C GLN A 32 -2.531 -11.837 0.013 1.00 0.79 C ATOM 461 O GLN A 32 -1.943 -12.866 0.328 1.00 1.05 O ATOM 462 CB GLN A 32 -4.369 -12.614 -1.599 1.00 1.03 C ATOM 463 CG GLN A 32 -3.861 -11.889 -2.857 1.00 1.00 C ATOM 464 CD GLN A 32 -2.538 -12.386 -3.444 1.00 1.34 C ATOM 465 OE1 GLN A 32 -2.343 -12.305 -4.650 1.00 1.80 O ATOM 466 NE2 GLN A 32 -1.582 -12.872 -2.670 1.00 1.54 N ATOM 0 H GLN A 32 -4.213 -9.899 -0.816 1.00 0.66 H new ATOM 0 HA GLN A 32 -4.436 -12.519 0.540 1.00 0.82 H new ATOM 0 HB2 GLN A 32 -3.947 -13.619 -1.580 1.00 1.03 H new ATOM 0 HB3 GLN A 32 -5.451 -12.724 -1.672 1.00 1.03 H new ATOM 0 HG2 GLN A 32 -4.627 -11.967 -3.628 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -3.753 -10.830 -2.621 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -1.729 -12.946 -1.663 1.00 1.54 H new ATOM 0 HE22 GLN A 32 -0.698 -13.173 -3.080 1.00 1.54 H new ATOM 475 N SER A 33 -1.888 -10.671 -0.081 1.00 0.60 N ATOM 476 CA SER A 33 -0.548 -10.391 0.447 1.00 0.69 C ATOM 477 C SER A 33 -0.218 -8.913 0.287 1.00 0.54 C ATOM 478 O SER A 33 -0.573 -8.317 -0.731 1.00 0.59 O ATOM 479 CB SER A 33 0.547 -11.218 -0.242 1.00 1.00 C ATOM 480 OG SER A 33 0.649 -12.487 0.367 1.00 1.55 O ATOM 0 H SER A 33 -2.302 -9.863 -0.545 1.00 0.60 H new ATOM 0 HA SER A 33 -0.567 -10.669 1.501 1.00 0.69 H new ATOM 0 HB2 SER A 33 0.316 -11.331 -1.301 1.00 1.00 H new ATOM 0 HB3 SER A 33 1.502 -10.697 -0.178 1.00 1.00 H new ATOM 0 HG SER A 33 -0.220 -12.938 0.331 1.00 1.55 H new ATOM 486 N CYS A 34 0.502 -8.373 1.270 1.00 0.58 N ATOM 487 CA CYS A 34 1.058 -7.024 1.302 1.00 0.50 C ATOM 488 C CYS A 34 2.588 -7.139 1.446 1.00 0.51 C ATOM 489 O CYS A 34 3.059 -8.091 2.074 1.00 0.81 O ATOM 490 CB CYS A 34 0.479 -6.247 2.505 1.00 0.65 C ATOM 491 SG CYS A 34 -1.160 -6.800 3.064 1.00 1.12 S ATOM 0 H CYS A 34 0.725 -8.899 2.115 1.00 0.58 H new ATOM 0 HA CYS A 34 0.803 -6.490 0.387 1.00 0.50 H new ATOM 0 HB2 CYS A 34 1.176 -6.327 3.339 1.00 0.65 H new ATOM 0 HB3 CYS A 34 0.418 -5.191 2.241 1.00 0.65 H new ATOM 0 HG CYS A 34 -1.540 -6.078 4.076 1.00 1.12 H new ATOM 497 N GLN A 35 3.350 -6.215 0.861 1.00 0.45 N ATOM 498 CA GLN A 35 4.789 -6.090 1.028 1.00 0.46 C ATOM 499 C GLN A 35 5.227 -4.659 0.651 1.00 0.48 C ATOM 500 O GLN A 35 5.104 -4.264 -0.512 1.00 0.57 O ATOM 501 CB GLN A 35 5.480 -7.132 0.127 1.00 0.57 C ATOM 502 CG GLN A 35 6.568 -7.954 0.822 1.00 1.49 C ATOM 503 CD GLN A 35 6.078 -9.128 1.678 1.00 2.31 C ATOM 504 OE1 GLN A 35 6.515 -9.315 2.801 1.00 3.85 O ATOM 505 NE2 GLN A 35 5.210 -9.980 1.164 1.00 2.24 N ATOM 0 H GLN A 35 2.963 -5.509 0.235 1.00 0.45 H new ATOM 0 HA GLN A 35 5.072 -6.271 2.065 1.00 0.46 H new ATOM 0 HB2 GLN A 35 4.724 -7.812 -0.265 1.00 0.57 H new ATOM 0 HB3 GLN A 35 5.921 -6.619 -0.727 1.00 0.57 H new ATOM 0 HG2 GLN A 35 7.244 -8.342 0.061 1.00 1.49 H new ATOM 0 HG3 GLN A 35 7.151 -7.286 1.456 1.00 1.49 H new ATOM 0 HE21 GLN A 35 4.841 -9.828 0.225 1.00 2.24 H new ATOM 0 HE22 GLN A 35 4.908 -10.790 1.706 1.00 2.24 H new ATOM 514 N VAL A 36 5.754 -3.894 1.609 1.00 0.53 N ATOM 515 CA VAL A 36 6.347 -2.553 1.439 1.00 0.60 C ATOM 516 C VAL A 36 7.854 -2.568 1.740 1.00 0.58 C ATOM 517 O VAL A 36 8.307 -3.182 2.706 1.00 0.62 O ATOM 518 CB VAL A 36 5.602 -1.492 2.289 1.00 0.75 C ATOM 519 CG1 VAL A 36 5.884 -1.555 3.804 1.00 1.65 C ATOM 520 CG2 VAL A 36 5.937 -0.069 1.813 1.00 1.30 C ATOM 0 H VAL A 36 5.783 -4.205 2.580 1.00 0.53 H new ATOM 0 HA VAL A 36 6.227 -2.269 0.394 1.00 0.60 H new ATOM 0 HB VAL A 36 4.549 -1.731 2.140 1.00 0.75 H new ATOM 0 HG11 VAL A 36 5.318 -0.774 4.312 1.00 1.65 H new ATOM 0 HG12 VAL A 36 5.585 -2.530 4.190 1.00 1.65 H new ATOM 0 HG13 VAL A 36 6.949 -1.406 3.982 1.00 1.65 H new ATOM 0 HG21 VAL A 36 5.401 0.655 2.426 1.00 1.30 H new ATOM 0 HG22 VAL A 36 7.010 0.102 1.904 1.00 1.30 H new ATOM 0 HG23 VAL A 36 5.638 0.046 0.771 1.00 1.30 H new ATOM 530 N ASN A 37 8.637 -1.882 0.905 1.00 0.65 N ATOM 531 CA ASN A 37 10.097 -1.857 0.950 1.00 0.66 C ATOM 532 C ASN A 37 10.611 -0.482 1.401 1.00 0.66 C ATOM 533 O ASN A 37 10.798 0.436 0.597 1.00 0.77 O ATOM 534 CB ASN A 37 10.628 -2.274 -0.430 1.00 0.83 C ATOM 535 CG ASN A 37 12.139 -2.480 -0.470 1.00 1.02 C ATOM 536 OD1 ASN A 37 12.919 -1.680 0.031 1.00 1.06 O ATOM 537 ND2 ASN A 37 12.597 -3.535 -1.115 1.00 1.46 N ATOM 0 H ASN A 37 8.256 -1.308 0.152 1.00 0.65 H new ATOM 0 HA ASN A 37 10.469 -2.565 1.691 1.00 0.66 H new ATOM 0 HB2 ASN A 37 10.136 -3.198 -0.735 1.00 0.83 H new ATOM 0 HB3 ASN A 37 10.355 -1.512 -1.160 1.00 0.83 H new ATOM 0 HD21 ASN A 37 13.602 -3.686 -1.197 1.00 1.46 H new ATOM 0 HD22 ASN A 37 11.946 -4.200 -1.532 1.00 1.46 H new ATOM 544 N PHE A 38 10.909 -0.372 2.701 1.00 0.60 N ATOM 545 CA PHE A 38 11.408 0.837 3.363 1.00 0.65 C ATOM 546 C PHE A 38 12.902 1.132 3.072 1.00 0.66 C ATOM 547 O PHE A 38 13.675 1.414 3.984 1.00 0.83 O ATOM 548 CB PHE A 38 11.056 0.741 4.864 1.00 0.75 C ATOM 549 CG PHE A 38 10.894 2.098 5.521 1.00 1.12 C ATOM 550 CD1 PHE A 38 9.671 2.782 5.394 1.00 2.01 C ATOM 551 CD2 PHE A 38 11.969 2.710 6.191 1.00 2.67 C ATOM 552 CE1 PHE A 38 9.537 4.098 5.866 1.00 2.63 C ATOM 553 CE2 PHE A 38 11.833 4.018 6.683 1.00 3.24 C ATOM 554 CZ PHE A 38 10.628 4.717 6.505 1.00 2.75 C ATOM 0 H PHE A 38 10.804 -1.155 3.346 1.00 0.60 H new ATOM 0 HA PHE A 38 10.911 1.713 2.945 1.00 0.65 H new ATOM 0 HB2 PHE A 38 10.132 0.175 4.980 1.00 0.75 H new ATOM 0 HB3 PHE A 38 11.838 0.184 5.380 1.00 0.75 H new ATOM 0 HD1 PHE A 38 8.828 2.291 4.930 1.00 2.01 H new ATOM 0 HD2 PHE A 38 12.897 2.175 6.327 1.00 2.67 H new ATOM 0 HE1 PHE A 38 8.606 4.630 5.740 1.00 2.63 H new ATOM 0 HE2 PHE A 38 12.657 4.488 7.200 1.00 3.24 H new ATOM 0 HZ PHE A 38 10.538 5.733 6.860 1.00 2.75 H new ATOM 564 N ALA A 39 13.319 1.032 1.805 1.00 0.66 N ATOM 565 CA ALA A 39 14.689 1.288 1.341 1.00 0.68 C ATOM 566 C ALA A 39 14.763 1.570 -0.169 1.00 0.68 C ATOM 567 O ALA A 39 15.566 2.391 -0.598 1.00 0.82 O ATOM 568 CB ALA A 39 15.569 0.086 1.714 1.00 0.71 C ATOM 0 H ALA A 39 12.691 0.761 1.048 1.00 0.66 H new ATOM 0 HA ALA A 39 15.052 2.190 1.834 1.00 0.68 H new ATOM 0 HB1 ALA A 39 16.590 0.263 1.375 1.00 0.71 H new ATOM 0 HB2 ALA A 39 15.564 -0.047 2.796 1.00 0.71 H new ATOM 0 HB3 ALA A 39 15.179 -0.813 1.236 1.00 0.71 H new ATOM 574 N LEU A 40 13.915 0.919 -0.977 1.00 0.64 N ATOM 575 CA LEU A 40 13.872 1.011 -2.430 1.00 0.62 C ATOM 576 C LEU A 40 12.436 1.394 -2.898 1.00 0.55 C ATOM 577 O LEU A 40 11.996 1.082 -4.001 1.00 0.57 O ATOM 578 CB LEU A 40 14.492 -0.335 -2.878 1.00 0.65 C ATOM 579 CG LEU A 40 14.209 -0.816 -4.293 1.00 0.65 C ATOM 580 CD1 LEU A 40 14.706 0.153 -5.377 1.00 0.71 C ATOM 581 CD2 LEU A 40 14.823 -2.205 -4.521 1.00 0.73 C ATOM 0 H LEU A 40 13.207 0.283 -0.609 1.00 0.64 H new ATOM 0 HA LEU A 40 14.443 1.809 -2.904 1.00 0.62 H new ATOM 0 HB2 LEU A 40 15.573 -0.260 -2.761 1.00 0.65 H new ATOM 0 HB3 LEU A 40 14.149 -1.106 -2.188 1.00 0.65 H new ATOM 0 HG LEU A 40 13.124 -0.867 -4.384 1.00 0.65 H new ATOM 0 HD11 LEU A 40 14.472 -0.252 -6.362 1.00 0.71 H new ATOM 0 HD12 LEU A 40 14.215 1.118 -5.255 1.00 0.71 H new ATOM 0 HD13 LEU A 40 15.785 0.281 -5.284 1.00 0.71 H new ATOM 0 HD21 LEU A 40 14.611 -2.534 -5.538 1.00 0.73 H new ATOM 0 HD22 LEU A 40 15.902 -2.155 -4.373 1.00 0.73 H new ATOM 0 HD23 LEU A 40 14.393 -2.914 -3.813 1.00 0.73 H new ATOM 593 N GLU A 41 11.681 2.061 -2.020 1.00 0.62 N ATOM 594 CA GLU A 41 10.388 2.718 -2.264 1.00 0.59 C ATOM 595 C GLU A 41 9.215 1.812 -2.659 1.00 0.42 C ATOM 596 O GLU A 41 8.091 2.308 -2.650 1.00 0.39 O ATOM 597 CB GLU A 41 10.492 3.830 -3.329 1.00 0.76 C ATOM 598 CG GLU A 41 11.007 5.176 -2.815 1.00 1.12 C ATOM 599 CD GLU A 41 10.548 6.305 -3.750 1.00 1.47 C ATOM 600 OE1 GLU A 41 10.467 6.045 -4.974 1.00 2.09 O ATOM 601 OE2 GLU A 41 10.252 7.407 -3.236 1.00 2.41 O ATOM 0 H GLU A 41 11.976 2.165 -1.049 1.00 0.62 H new ATOM 0 HA GLU A 41 10.158 3.118 -1.276 1.00 0.59 H new ATOM 0 HB2 GLU A 41 11.151 3.487 -4.127 1.00 0.76 H new ATOM 0 HB3 GLU A 41 9.507 3.981 -3.772 1.00 0.76 H new ATOM 0 HG2 GLU A 41 10.637 5.355 -1.806 1.00 1.12 H new ATOM 0 HG3 GLU A 41 12.095 5.160 -2.757 1.00 1.12 H new ATOM 608 N GLN A 42 9.393 0.549 -3.069 1.00 0.41 N ATOM 609 CA GLN A 42 8.234 -0.171 -3.607 1.00 0.38 C ATOM 610 C GLN A 42 7.171 -0.464 -2.544 1.00 0.45 C ATOM 611 O GLN A 42 7.466 -0.634 -1.362 1.00 0.62 O ATOM 612 CB GLN A 42 8.540 -1.444 -4.415 1.00 0.40 C ATOM 613 CG GLN A 42 8.802 -2.750 -3.610 1.00 0.47 C ATOM 614 CD GLN A 42 10.241 -3.262 -3.613 1.00 0.54 C ATOM 615 OE1 GLN A 42 10.554 -4.311 -3.075 1.00 1.09 O ATOM 616 NE2 GLN A 42 11.202 -2.571 -4.183 1.00 0.85 N ATOM 0 H GLN A 42 10.271 0.031 -3.043 1.00 0.41 H new ATOM 0 HA GLN A 42 7.836 0.541 -4.330 1.00 0.38 H new ATOM 0 HB2 GLN A 42 7.704 -1.625 -5.090 1.00 0.40 H new ATOM 0 HB3 GLN A 42 9.414 -1.248 -5.036 1.00 0.40 H new ATOM 0 HG2 GLN A 42 8.499 -2.583 -2.576 1.00 0.47 H new ATOM 0 HG3 GLN A 42 8.158 -3.534 -4.008 1.00 0.47 H new ATOM 0 HE21 GLN A 42 10.989 -1.687 -4.646 1.00 0.85 H new ATOM 0 HE22 GLN A 42 12.161 -2.918 -4.163 1.00 0.85 H new ATOM 625 N ALA A 43 5.959 -0.681 -3.036 1.00 0.37 N ATOM 626 CA ALA A 43 4.969 -1.554 -2.432 1.00 0.35 C ATOM 627 C ALA A 43 4.450 -2.542 -3.485 1.00 0.44 C ATOM 628 O ALA A 43 4.417 -2.241 -4.683 1.00 0.66 O ATOM 629 CB ALA A 43 3.847 -0.708 -1.821 1.00 0.39 C ATOM 0 H ALA A 43 5.630 -0.239 -3.894 1.00 0.37 H new ATOM 0 HA ALA A 43 5.414 -2.138 -1.626 1.00 0.35 H new ATOM 0 HB1 ALA A 43 3.103 -1.363 -1.367 1.00 0.39 H new ATOM 0 HB2 ALA A 43 4.262 -0.048 -1.059 1.00 0.39 H new ATOM 0 HB3 ALA A 43 3.376 -0.110 -2.601 1.00 0.39 H new ATOM 635 N VAL A 44 4.032 -3.711 -3.022 1.00 0.41 N ATOM 636 CA VAL A 44 3.258 -4.673 -3.816 1.00 0.42 C ATOM 637 C VAL A 44 2.105 -5.229 -2.997 1.00 0.42 C ATOM 638 O VAL A 44 2.298 -5.682 -1.870 1.00 0.50 O ATOM 639 CB VAL A 44 4.123 -5.800 -4.431 1.00 0.47 C ATOM 640 CG1 VAL A 44 4.944 -6.609 -3.415 1.00 0.51 C ATOM 641 CG2 VAL A 44 3.279 -6.758 -5.290 1.00 0.52 C ATOM 0 H VAL A 44 4.220 -4.029 -2.071 1.00 0.41 H new ATOM 0 HA VAL A 44 2.850 -4.127 -4.666 1.00 0.42 H new ATOM 0 HB VAL A 44 4.841 -5.272 -5.058 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.517 -7.375 -3.938 1.00 0.51 H new ATOM 0 HG12 VAL A 44 5.626 -5.943 -2.886 1.00 0.51 H new ATOM 0 HG13 VAL A 44 4.272 -7.084 -2.700 1.00 0.51 H new ATOM 0 HG21 VAL A 44 3.920 -7.536 -5.705 1.00 0.52 H new ATOM 0 HG22 VAL A 44 2.507 -7.216 -4.672 1.00 0.52 H new ATOM 0 HG23 VAL A 44 2.811 -6.202 -6.102 1.00 0.52 H new ATOM 651 N VAL A 45 0.900 -5.183 -3.574 1.00 0.47 N ATOM 652 CA VAL A 45 -0.294 -5.771 -2.945 1.00 0.46 C ATOM 653 C VAL A 45 -1.234 -6.346 -4.004 1.00 0.48 C ATOM 654 O VAL A 45 -1.363 -5.814 -5.107 1.00 0.65 O ATOM 655 CB VAL A 45 -1.085 -4.782 -2.045 1.00 0.51 C ATOM 656 CG1 VAL A 45 -1.938 -5.496 -0.991 1.00 0.77 C ATOM 657 CG2 VAL A 45 -0.231 -3.732 -1.308 1.00 0.92 C ATOM 0 H VAL A 45 0.722 -4.744 -4.478 1.00 0.47 H new ATOM 0 HA VAL A 45 0.082 -6.562 -2.296 1.00 0.46 H new ATOM 0 HB VAL A 45 -1.711 -4.262 -2.770 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -2.469 -4.757 -0.391 1.00 0.77 H new ATOM 0 HG12 VAL A 45 -2.659 -6.147 -1.486 1.00 0.77 H new ATOM 0 HG13 VAL A 45 -1.294 -6.093 -0.345 1.00 0.77 H new ATOM 0 HG21 VAL A 45 -0.878 -3.092 -0.708 1.00 0.92 H new ATOM 0 HG22 VAL A 45 0.484 -4.236 -0.658 1.00 0.92 H new ATOM 0 HG23 VAL A 45 0.306 -3.124 -2.036 1.00 0.92 H new ATOM 667 N SER A 46 -1.921 -7.428 -3.652 1.00 0.52 N ATOM 668 CA SER A 46 -3.128 -7.907 -4.335 1.00 0.56 C ATOM 669 C SER A 46 -4.247 -7.992 -3.287 1.00 0.54 C ATOM 670 O SER A 46 -4.051 -8.545 -2.204 1.00 0.52 O ATOM 671 CB SER A 46 -2.814 -9.196 -5.113 1.00 0.81 C ATOM 672 OG SER A 46 -3.877 -10.097 -5.290 1.00 1.56 O ATOM 0 H SER A 46 -1.650 -8.015 -2.863 1.00 0.52 H new ATOM 0 HA SER A 46 -3.486 -7.226 -5.107 1.00 0.56 H new ATOM 0 HB2 SER A 46 -2.436 -8.917 -6.097 1.00 0.81 H new ATOM 0 HB3 SER A 46 -2.007 -9.717 -4.598 1.00 0.81 H new ATOM 0 HG SER A 46 -3.537 -11.015 -5.253 1.00 1.56 H new ATOM 678 N TYR A 47 -5.351 -7.284 -3.547 1.00 0.74 N ATOM 679 CA TYR A 47 -6.217 -6.685 -2.513 1.00 0.72 C ATOM 680 C TYR A 47 -7.610 -6.267 -3.001 1.00 0.88 C ATOM 681 O TYR A 47 -8.093 -5.168 -2.731 1.00 1.36 O ATOM 682 CB TYR A 47 -5.489 -5.603 -1.676 1.00 0.89 C ATOM 683 CG TYR A 47 -4.867 -4.356 -2.321 1.00 0.91 C ATOM 684 CD1 TYR A 47 -4.331 -4.342 -3.630 1.00 2.54 C ATOM 685 CD2 TYR A 47 -4.680 -3.212 -1.516 1.00 2.18 C ATOM 686 CE1 TYR A 47 -3.625 -3.230 -4.123 1.00 2.68 C ATOM 687 CE2 TYR A 47 -3.932 -2.112 -1.982 1.00 2.19 C ATOM 688 CZ TYR A 47 -3.392 -2.121 -3.285 1.00 1.23 C ATOM 689 OH TYR A 47 -2.640 -1.076 -3.721 1.00 1.46 O ATOM 0 H TYR A 47 -5.678 -7.105 -4.497 1.00 0.74 H new ATOM 0 HA TYR A 47 -6.431 -7.500 -1.822 1.00 0.72 H new ATOM 0 HB2 TYR A 47 -6.202 -5.249 -0.932 1.00 0.89 H new ATOM 0 HB3 TYR A 47 -4.689 -6.109 -1.136 1.00 0.89 H new ATOM 0 HD1 TYR A 47 -4.467 -5.205 -4.265 1.00 2.54 H new ATOM 0 HD2 TYR A 47 -5.116 -3.179 -0.529 1.00 2.18 H new ATOM 0 HE1 TYR A 47 -3.263 -3.226 -5.140 1.00 2.68 H new ATOM 0 HE2 TYR A 47 -3.772 -1.259 -1.339 1.00 2.19 H new ATOM 0 HH TYR A 47 -2.978 -0.244 -3.329 1.00 1.46 H new ATOM 699 N HIS A 48 -8.245 -7.160 -3.767 1.00 0.93 N ATOM 700 CA HIS A 48 -9.534 -6.922 -4.423 1.00 1.17 C ATOM 701 C HIS A 48 -10.327 -8.223 -4.626 1.00 1.34 C ATOM 702 O HIS A 48 -9.735 -9.281 -4.876 1.00 1.70 O ATOM 703 CB HIS A 48 -9.334 -6.260 -5.805 1.00 1.33 C ATOM 704 CG HIS A 48 -8.173 -5.315 -5.923 1.00 1.24 C ATOM 705 ND1 HIS A 48 -8.244 -3.926 -5.860 1.00 1.09 N ATOM 706 CD2 HIS A 48 -6.873 -5.695 -6.075 1.00 1.42 C ATOM 707 CE1 HIS A 48 -6.976 -3.501 -5.958 1.00 1.19 C ATOM 708 NE2 HIS A 48 -6.139 -4.537 -6.136 1.00 1.44 N ATOM 0 H HIS A 48 -7.868 -8.090 -3.952 1.00 0.93 H new ATOM 0 HA HIS A 48 -10.096 -6.261 -3.763 1.00 1.17 H new ATOM 0 HB2 HIS A 48 -9.212 -7.048 -6.548 1.00 1.33 H new ATOM 0 HB3 HIS A 48 -10.245 -5.718 -6.061 1.00 1.33 H new ATOM 0 HD2 HIS A 48 -6.496 -6.705 -6.135 1.00 1.42 H new ATOM 0 HE1 HIS A 48 -6.669 -2.467 -5.902 1.00 1.19 H new ATOM 0 HE2 HIS A 48 -5.133 -4.474 -6.290 1.00 1.44 H new ATOM 716 N GLY A 49 -11.656 -8.102 -4.635 1.00 1.45 N ATOM 717 CA GLY A 49 -12.545 -9.014 -5.359 1.00 1.76 C ATOM 718 C GLY A 49 -12.850 -8.463 -6.754 1.00 1.73 C ATOM 719 O GLY A 49 -12.009 -7.835 -7.396 1.00 2.80 O ATOM 0 H GLY A 49 -12.150 -7.362 -4.136 1.00 1.45 H new ATOM 0 HA2 GLY A 49 -12.080 -9.996 -5.442 1.00 1.76 H new ATOM 0 HA3 GLY A 49 -13.473 -9.147 -4.802 1.00 1.76 H new ATOM 723 N GLU A 50 -14.094 -8.635 -7.175 1.00 2.07 N ATOM 724 CA GLU A 50 -14.722 -8.158 -8.414 1.00 2.57 C ATOM 725 C GLU A 50 -15.045 -6.642 -8.411 1.00 2.31 C ATOM 726 O GLU A 50 -15.893 -6.179 -9.171 1.00 3.18 O ATOM 727 CB GLU A 50 -15.973 -9.023 -8.706 1.00 3.80 C ATOM 728 CG GLU A 50 -17.042 -9.075 -7.593 1.00 3.63 C ATOM 729 CD GLU A 50 -16.638 -10.010 -6.450 1.00 4.22 C ATOM 730 OE1 GLU A 50 -16.802 -11.234 -6.616 1.00 5.50 O ATOM 731 OE2 GLU A 50 -16.035 -9.498 -5.475 1.00 4.13 O ATOM 0 H GLU A 50 -14.759 -9.162 -6.609 1.00 2.07 H new ATOM 0 HA GLU A 50 -13.999 -8.274 -9.221 1.00 2.57 H new ATOM 0 HB2 GLU A 50 -16.443 -8.649 -9.615 1.00 3.80 H new ATOM 0 HB3 GLU A 50 -15.644 -10.041 -8.913 1.00 3.80 H new ATOM 0 HG2 GLU A 50 -17.204 -8.071 -7.200 1.00 3.63 H new ATOM 0 HG3 GLU A 50 -17.989 -9.409 -8.016 1.00 3.63 H new ATOM 738 N THR A 51 -14.381 -5.858 -7.548 1.00 2.01 N ATOM 739 CA THR A 51 -14.777 -4.487 -7.175 1.00 2.06 C ATOM 740 C THR A 51 -13.604 -3.691 -6.581 1.00 1.90 C ATOM 741 O THR A 51 -13.630 -3.299 -5.414 1.00 2.64 O ATOM 742 CB THR A 51 -16.048 -4.528 -6.300 1.00 2.78 C ATOM 743 OG1 THR A 51 -16.317 -3.229 -5.838 1.00 3.36 O ATOM 744 CG2 THR A 51 -15.960 -5.460 -5.085 1.00 4.17 C ATOM 0 H THR A 51 -13.531 -6.166 -7.076 1.00 2.01 H new ATOM 0 HA THR A 51 -15.043 -3.926 -8.071 1.00 2.06 H new ATOM 0 HB THR A 51 -16.840 -4.923 -6.937 1.00 2.78 H new ATOM 0 HG1 THR A 51 -15.509 -2.853 -5.431 1.00 3.36 H new ATOM 0 HG21 THR A 51 -16.897 -5.424 -4.530 1.00 4.17 H new ATOM 0 HG22 THR A 51 -15.777 -6.480 -5.422 1.00 4.17 H new ATOM 0 HG23 THR A 51 -15.143 -5.139 -4.439 1.00 4.17 H new ATOM 752 N THR A 52 -12.566 -3.449 -7.394 1.00 2.17 N ATOM 753 CA THR A 52 -11.365 -2.649 -7.071 1.00 2.33 C ATOM 754 C THR A 52 -11.737 -1.274 -6.481 1.00 1.24 C ATOM 755 O THR A 52 -12.285 -0.451 -7.217 1.00 1.89 O ATOM 756 CB THR A 52 -10.534 -2.491 -8.349 1.00 3.74 C ATOM 757 OG1 THR A 52 -10.003 -3.759 -8.631 1.00 4.81 O ATOM 758 CG2 THR A 52 -9.353 -1.533 -8.242 1.00 4.51 C ATOM 0 H THR A 52 -12.535 -3.822 -8.343 1.00 2.17 H new ATOM 0 HA THR A 52 -10.783 -3.166 -6.308 1.00 2.33 H new ATOM 0 HB THR A 52 -11.196 -2.081 -9.111 1.00 3.74 H new ATOM 0 HG1 THR A 52 -9.361 -4.007 -7.933 1.00 4.81 H new ATOM 0 HG21 THR A 52 -8.830 -1.492 -9.198 1.00 4.51 H new ATOM 0 HG22 THR A 52 -9.714 -0.538 -7.982 1.00 4.51 H new ATOM 0 HG23 THR A 52 -8.669 -1.884 -7.469 1.00 4.51 H new ATOM 766 N PRO A 53 -11.463 -1.004 -5.185 1.00 1.38 N ATOM 767 CA PRO A 53 -11.916 0.202 -4.486 1.00 2.02 C ATOM 768 C PRO A 53 -10.836 1.298 -4.431 1.00 1.56 C ATOM 769 O PRO A 53 -9.649 1.003 -4.548 1.00 1.36 O ATOM 770 CB PRO A 53 -12.226 -0.299 -3.073 1.00 3.54 C ATOM 771 CG PRO A 53 -11.118 -1.328 -2.834 1.00 3.79 C ATOM 772 CD PRO A 53 -10.915 -1.952 -4.214 1.00 2.78 C ATOM 0 HA PRO A 53 -12.765 0.662 -4.992 1.00 2.02 H new ATOM 0 HB2 PRO A 53 -12.195 0.508 -2.341 1.00 3.54 H new ATOM 0 HB3 PRO A 53 -13.217 -0.748 -3.010 1.00 3.54 H new ATOM 0 HG2 PRO A 53 -10.205 -0.859 -2.466 1.00 3.79 H new ATOM 0 HG3 PRO A 53 -11.413 -2.073 -2.095 1.00 3.79 H new ATOM 0 HD2 PRO A 53 -9.858 -2.135 -4.405 1.00 2.78 H new ATOM 0 HD3 PRO A 53 -11.422 -2.914 -4.283 1.00 2.78 H new ATOM 780 N GLN A 54 -11.218 2.548 -4.121 1.00 1.72 N ATOM 781 CA GLN A 54 -10.249 3.626 -3.832 1.00 1.62 C ATOM 782 C GLN A 54 -9.319 3.308 -2.652 1.00 1.27 C ATOM 783 O GLN A 54 -8.223 3.848 -2.579 1.00 1.18 O ATOM 784 CB GLN A 54 -10.946 4.978 -3.633 1.00 2.25 C ATOM 785 CG GLN A 54 -11.618 5.208 -2.268 1.00 3.93 C ATOM 786 CD GLN A 54 -11.996 6.678 -2.143 1.00 4.70 C ATOM 787 OE1 GLN A 54 -12.766 7.200 -2.932 1.00 4.50 O ATOM 788 NE2 GLN A 54 -11.428 7.417 -1.220 1.00 5.89 N ATOM 0 H GLN A 54 -12.193 2.841 -4.063 1.00 1.72 H new ATOM 0 HA GLN A 54 -9.615 3.695 -4.716 1.00 1.62 H new ATOM 0 HB2 GLN A 54 -10.211 5.767 -3.789 1.00 2.25 H new ATOM 0 HB3 GLN A 54 -11.703 5.089 -4.409 1.00 2.25 H new ATOM 0 HG2 GLN A 54 -12.505 4.582 -2.175 1.00 3.93 H new ATOM 0 HG3 GLN A 54 -10.941 4.923 -1.462 1.00 3.93 H new ATOM 0 HE21 GLN A 54 -10.782 6.994 -0.554 1.00 5.89 H new ATOM 0 HE22 GLN A 54 -11.632 8.415 -1.169 1.00 5.89 H new ATOM 797 N ILE A 55 -9.737 2.396 -1.765 1.00 1.28 N ATOM 798 CA ILE A 55 -9.010 1.951 -0.564 1.00 1.26 C ATOM 799 C ILE A 55 -7.610 1.413 -0.905 1.00 1.06 C ATOM 800 O ILE A 55 -6.691 1.549 -0.093 1.00 1.07 O ATOM 801 CB ILE A 55 -9.874 0.938 0.229 1.00 1.48 C ATOM 802 CG1 ILE A 55 -11.247 1.551 0.611 1.00 1.73 C ATOM 803 CG2 ILE A 55 -9.141 0.466 1.500 1.00 1.60 C ATOM 804 CD1 ILE A 55 -12.246 0.544 1.200 1.00 2.72 C ATOM 0 H ILE A 55 -10.635 1.924 -1.868 1.00 1.28 H new ATOM 0 HA ILE A 55 -8.837 2.812 0.081 1.00 1.26 H new ATOM 0 HB ILE A 55 -10.046 0.078 -0.419 1.00 1.48 H new ATOM 0 HG12 ILE A 55 -11.086 2.351 1.334 1.00 1.73 H new ATOM 0 HG13 ILE A 55 -11.688 2.006 -0.276 1.00 1.73 H new ATOM 0 HG21 ILE A 55 -9.768 -0.244 2.039 1.00 1.60 H new ATOM 0 HG22 ILE A 55 -8.204 -0.016 1.222 1.00 1.60 H new ATOM 0 HG23 ILE A 55 -8.932 1.324 2.139 1.00 1.60 H new ATOM 0 HD11 ILE A 55 -13.179 1.055 1.439 1.00 2.72 H new ATOM 0 HD12 ILE A 55 -12.440 -0.244 0.472 1.00 2.72 H new ATOM 0 HD13 ILE A 55 -11.829 0.106 2.107 1.00 2.72 H new ATOM 816 N LEU A 56 -7.429 0.889 -2.128 1.00 1.02 N ATOM 817 CA LEU A 56 -6.123 0.499 -2.664 1.00 0.99 C ATOM 818 C LEU A 56 -5.110 1.653 -2.584 1.00 0.87 C ATOM 819 O LEU A 56 -3.960 1.429 -2.222 1.00 0.99 O ATOM 820 CB LEU A 56 -6.295 -0.096 -4.091 1.00 1.19 C ATOM 821 CG LEU A 56 -6.239 0.882 -5.294 1.00 1.14 C ATOM 822 CD1 LEU A 56 -4.798 1.161 -5.769 1.00 1.31 C ATOM 823 CD2 LEU A 56 -6.981 0.304 -6.506 1.00 1.44 C ATOM 0 H LEU A 56 -8.198 0.724 -2.777 1.00 1.02 H new ATOM 0 HA LEU A 56 -5.696 -0.289 -2.044 1.00 0.99 H new ATOM 0 HB2 LEU A 56 -5.520 -0.849 -4.235 1.00 1.19 H new ATOM 0 HB3 LEU A 56 -7.254 -0.614 -4.125 1.00 1.19 H new ATOM 0 HG LEU A 56 -6.700 1.802 -4.935 1.00 1.14 H new ATOM 0 HD11 LEU A 56 -4.820 1.851 -6.612 1.00 1.31 H new ATOM 0 HD12 LEU A 56 -4.225 1.603 -4.954 1.00 1.31 H new ATOM 0 HD13 LEU A 56 -4.329 0.227 -6.077 1.00 1.31 H new ATOM 0 HD21 LEU A 56 -6.927 1.009 -7.336 1.00 1.44 H new ATOM 0 HD22 LEU A 56 -6.519 -0.639 -6.800 1.00 1.44 H new ATOM 0 HD23 LEU A 56 -8.025 0.131 -6.245 1.00 1.44 H new ATOM 835 N THR A 57 -5.548 2.873 -2.920 1.00 0.76 N ATOM 836 CA THR A 57 -4.764 4.122 -2.916 1.00 0.78 C ATOM 837 C THR A 57 -4.831 4.799 -1.554 1.00 0.71 C ATOM 838 O THR A 57 -3.795 5.194 -1.024 1.00 0.77 O ATOM 839 CB THR A 57 -5.288 5.068 -4.006 1.00 1.01 C ATOM 840 OG1 THR A 57 -5.285 4.386 -5.241 1.00 1.82 O ATOM 841 CG2 THR A 57 -4.418 6.316 -4.163 1.00 1.49 C ATOM 0 H THR A 57 -6.511 3.027 -3.219 1.00 0.76 H new ATOM 0 HA THR A 57 -3.722 3.879 -3.123 1.00 0.78 H new ATOM 0 HB THR A 57 -6.290 5.379 -3.711 1.00 1.01 H new ATOM 0 HG1 THR A 57 -5.620 4.981 -5.944 1.00 1.82 H new ATOM 0 HG21 THR A 57 -4.832 6.952 -4.946 1.00 1.49 H new ATOM 0 HG22 THR A 57 -4.397 6.866 -3.222 1.00 1.49 H new ATOM 0 HG23 THR A 57 -3.404 6.021 -4.433 1.00 1.49 H new ATOM 849 N ASP A 58 -6.027 4.870 -0.969 1.00 0.70 N ATOM 850 CA ASP A 58 -6.327 5.457 0.347 1.00 0.77 C ATOM 851 C ASP A 58 -5.334 4.959 1.417 1.00 0.77 C ATOM 852 O ASP A 58 -4.796 5.741 2.204 1.00 0.80 O ATOM 853 CB ASP A 58 -7.779 5.071 0.697 1.00 0.87 C ATOM 854 CG ASP A 58 -8.597 6.142 1.417 1.00 1.32 C ATOM 855 OD1 ASP A 58 -8.306 6.386 2.606 1.00 2.32 O ATOM 856 OD2 ASP A 58 -9.558 6.639 0.774 1.00 2.43 O ATOM 0 H ASP A 58 -6.863 4.500 -1.422 1.00 0.70 H new ATOM 0 HA ASP A 58 -6.223 6.542 0.317 1.00 0.77 H new ATOM 0 HB2 ASP A 58 -8.296 4.804 -0.225 1.00 0.87 H new ATOM 0 HB3 ASP A 58 -7.757 4.177 1.320 1.00 0.87 H new ATOM 861 N ALA A 59 -4.975 3.669 1.355 1.00 0.79 N ATOM 862 CA ALA A 59 -3.980 3.055 2.230 1.00 0.94 C ATOM 863 C ALA A 59 -2.529 3.566 2.092 1.00 0.95 C ATOM 864 O ALA A 59 -1.719 3.283 2.972 1.00 1.14 O ATOM 865 CB ALA A 59 -4.075 1.534 2.072 1.00 1.10 C ATOM 0 H ALA A 59 -5.378 3.016 0.682 1.00 0.79 H new ATOM 0 HA ALA A 59 -4.231 3.364 3.244 1.00 0.94 H new ATOM 0 HB1 ALA A 59 -3.339 1.054 2.718 1.00 1.10 H new ATOM 0 HB2 ALA A 59 -5.075 1.201 2.351 1.00 1.10 H new ATOM 0 HB3 ALA A 59 -3.879 1.263 1.035 1.00 1.10 H new ATOM 871 N VAL A 60 -2.197 4.335 1.054 1.00 0.82 N ATOM 872 CA VAL A 60 -0.937 5.099 0.927 1.00 0.87 C ATOM 873 C VAL A 60 -1.110 6.553 1.380 1.00 0.88 C ATOM 874 O VAL A 60 -0.199 7.124 1.985 1.00 1.05 O ATOM 875 CB VAL A 60 -0.431 5.077 -0.536 1.00 0.91 C ATOM 876 CG1 VAL A 60 0.948 5.736 -0.659 1.00 2.04 C ATOM 877 CG2 VAL A 60 -0.352 3.645 -1.096 1.00 1.87 C ATOM 0 H VAL A 60 -2.811 4.453 0.248 1.00 0.82 H new ATOM 0 HA VAL A 60 -0.204 4.619 1.575 1.00 0.87 H new ATOM 0 HB VAL A 60 -1.157 5.643 -1.119 1.00 0.91 H new ATOM 0 HG11 VAL A 60 1.275 5.704 -1.698 1.00 2.04 H new ATOM 0 HG12 VAL A 60 0.886 6.773 -0.329 1.00 2.04 H new ATOM 0 HG13 VAL A 60 1.664 5.200 -0.037 1.00 2.04 H new ATOM 0 HG21 VAL A 60 0.007 3.676 -2.125 1.00 1.87 H new ATOM 0 HG22 VAL A 60 0.334 3.054 -0.489 1.00 1.87 H new ATOM 0 HG23 VAL A 60 -1.342 3.189 -1.071 1.00 1.87 H new ATOM 887 N GLU A 61 -2.289 7.134 1.145 1.00 0.76 N ATOM 888 CA GLU A 61 -2.594 8.531 1.473 1.00 0.87 C ATOM 889 C GLU A 61 -2.598 8.699 3.005 1.00 0.95 C ATOM 890 O GLU A 61 -1.911 9.566 3.548 1.00 1.16 O ATOM 891 CB GLU A 61 -3.949 8.940 0.856 1.00 0.84 C ATOM 892 CG GLU A 61 -4.097 8.710 -0.663 1.00 1.68 C ATOM 893 CD GLU A 61 -3.258 9.646 -1.533 1.00 1.66 C ATOM 894 OE1 GLU A 61 -3.532 10.870 -1.492 1.00 1.83 O ATOM 895 OE2 GLU A 61 -2.363 9.164 -2.268 1.00 2.66 O ATOM 0 H GLU A 61 -3.071 6.641 0.715 1.00 0.76 H new ATOM 0 HA GLU A 61 -1.832 9.187 1.052 1.00 0.87 H new ATOM 0 HB2 GLU A 61 -4.739 8.389 1.366 1.00 0.84 H new ATOM 0 HB3 GLU A 61 -4.115 9.998 1.061 1.00 0.84 H new ATOM 0 HG2 GLU A 61 -3.821 7.680 -0.890 1.00 1.68 H new ATOM 0 HG3 GLU A 61 -5.146 8.826 -0.934 1.00 1.68 H new ATOM 902 N ARG A 62 -3.245 7.759 3.715 1.00 0.85 N ATOM 903 CA ARG A 62 -3.283 7.604 5.181 1.00 0.91 C ATOM 904 C ARG A 62 -1.927 7.622 5.896 1.00 0.86 C ATOM 905 O ARG A 62 -1.909 7.616 7.131 1.00 0.90 O ATOM 906 CB ARG A 62 -4.003 6.280 5.520 1.00 0.89 C ATOM 907 CG ARG A 62 -3.223 5.002 5.149 1.00 1.65 C ATOM 908 CD ARG A 62 -2.036 4.500 6.007 1.00 1.40 C ATOM 909 NE ARG A 62 -2.453 3.643 7.118 1.00 1.61 N ATOM 910 CZ ARG A 62 -2.889 4.025 8.303 1.00 1.35 C ATOM 911 NH1 ARG A 62 -2.984 5.290 8.669 1.00 1.85 N ATOM 912 NH2 ARG A 62 -3.209 3.077 9.149 1.00 1.90 N ATOM 0 H ARG A 62 -3.794 7.037 3.248 1.00 0.85 H new ATOM 0 HA ARG A 62 -3.811 8.484 5.548 1.00 0.91 H new ATOM 0 HB2 ARG A 62 -4.214 6.262 6.589 1.00 0.89 H new ATOM 0 HB3 ARG A 62 -4.964 6.264 5.005 1.00 0.89 H new ATOM 0 HG2 ARG A 62 -3.948 4.190 5.106 1.00 1.65 H new ATOM 0 HG3 ARG A 62 -2.844 5.145 4.137 1.00 1.65 H new ATOM 0 HD2 ARG A 62 -1.343 3.949 5.371 1.00 1.40 H new ATOM 0 HD3 ARG A 62 -1.492 5.358 6.402 1.00 1.40 H new ATOM 0 HE ARG A 62 -2.401 2.637 6.958 1.00 1.61 H new ATOM 0 HH11 ARG A 62 -2.713 6.030 8.021 1.00 1.85 H new ATOM 0 HH12 ARG A 62 -3.328 5.527 9.599 1.00 1.85 H new ATOM 0 HH21 ARG A 62 -3.115 2.098 8.878 1.00 1.90 H new ATOM 0 HH22 ARG A 62 -3.552 3.318 10.079 1.00 1.90 H new ATOM 926 N ALA A 63 -0.815 7.448 5.170 1.00 0.83 N ATOM 927 CA ALA A 63 0.539 7.357 5.723 1.00 0.90 C ATOM 928 C ALA A 63 1.335 8.670 5.604 1.00 1.02 C ATOM 929 O ALA A 63 2.403 8.771 6.208 1.00 1.12 O ATOM 930 CB ALA A 63 1.256 6.197 5.016 1.00 0.94 C ATOM 0 H ALA A 63 -0.835 7.365 4.154 1.00 0.83 H new ATOM 0 HA ALA A 63 0.469 7.170 6.795 1.00 0.90 H new ATOM 0 HB1 ALA A 63 2.269 6.103 5.407 1.00 0.94 H new ATOM 0 HB2 ALA A 63 0.711 5.270 5.194 1.00 0.94 H new ATOM 0 HB3 ALA A 63 1.297 6.394 3.945 1.00 0.94 H new ATOM 936 N GLY A 64 0.828 9.645 4.837 1.00 1.07 N ATOM 937 CA GLY A 64 1.523 10.882 4.464 1.00 1.20 C ATOM 938 C GLY A 64 2.225 10.760 3.113 1.00 1.17 C ATOM 939 O GLY A 64 2.935 11.677 2.705 1.00 1.27 O ATOM 0 H GLY A 64 -0.112 9.591 4.445 1.00 1.07 H new ATOM 0 HA2 GLY A 64 0.807 11.703 4.427 1.00 1.20 H new ATOM 0 HA3 GLY A 64 2.255 11.132 5.232 1.00 1.20 H new ATOM 943 N TYR A 65 2.058 9.629 2.420 1.00 1.09 N ATOM 944 CA TYR A 65 2.753 9.321 1.169 1.00 1.11 C ATOM 945 C TYR A 65 1.846 9.559 -0.052 1.00 1.22 C ATOM 946 O TYR A 65 0.713 10.019 0.094 1.00 1.64 O ATOM 947 CB TYR A 65 3.281 7.874 1.243 1.00 1.20 C ATOM 948 CG TYR A 65 4.079 7.496 2.482 1.00 1.29 C ATOM 949 CD1 TYR A 65 4.762 8.465 3.248 1.00 1.66 C ATOM 950 CD2 TYR A 65 4.114 6.147 2.884 1.00 2.53 C ATOM 951 CE1 TYR A 65 5.417 8.101 4.434 1.00 1.73 C ATOM 952 CE2 TYR A 65 4.792 5.766 4.057 1.00 2.89 C ATOM 953 CZ TYR A 65 5.441 6.750 4.837 1.00 1.96 C ATOM 954 OH TYR A 65 6.168 6.407 5.929 1.00 2.40 O ATOM 0 H TYR A 65 1.424 8.889 2.720 1.00 1.09 H new ATOM 0 HA TYR A 65 3.600 9.994 1.040 1.00 1.11 H new ATOM 0 HB2 TYR A 65 2.429 7.198 1.168 1.00 1.20 H new ATOM 0 HB3 TYR A 65 3.907 7.696 0.369 1.00 1.20 H new ATOM 0 HD1 TYR A 65 4.780 9.493 2.919 1.00 1.66 H new ATOM 0 HD2 TYR A 65 3.616 5.398 2.287 1.00 2.53 H new ATOM 0 HE1 TYR A 65 5.902 8.854 5.037 1.00 1.73 H new ATOM 0 HE2 TYR A 65 4.816 4.729 4.359 1.00 2.89 H new ATOM 0 HH TYR A 65 5.854 5.545 6.273 1.00 2.40 H new ATOM 964 N HIS A 66 2.328 9.243 -1.261 1.00 1.03 N ATOM 965 CA HIS A 66 1.513 9.168 -2.482 1.00 0.88 C ATOM 966 C HIS A 66 1.860 7.924 -3.288 1.00 0.79 C ATOM 967 O HIS A 66 2.994 7.456 -3.275 1.00 1.04 O ATOM 968 CB HIS A 66 1.658 10.449 -3.326 1.00 1.00 C ATOM 969 CG HIS A 66 0.654 11.480 -2.886 1.00 1.01 C ATOM 970 ND1 HIS A 66 0.757 12.307 -1.781 1.00 1.79 N ATOM 971 CD2 HIS A 66 -0.664 11.417 -3.229 1.00 1.89 C ATOM 972 CE1 HIS A 66 -0.488 12.688 -1.434 1.00 1.74 C ATOM 973 NE2 HIS A 66 -1.365 12.174 -2.317 1.00 1.52 N ATOM 0 H HIS A 66 3.312 9.028 -1.422 1.00 1.03 H new ATOM 0 HA HIS A 66 0.466 9.090 -2.188 1.00 0.88 H new ATOM 0 HB2 HIS A 66 2.667 10.848 -3.224 1.00 1.00 H new ATOM 0 HB3 HIS A 66 1.512 10.216 -4.381 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -1.082 10.873 -4.063 1.00 1.89 H new ATOM 0 HE1 HIS A 66 -0.741 13.306 -0.585 1.00 1.74 H new ATOM 0 HE2 HIS A 66 -2.374 12.320 -2.311 1.00 1.52 H new ATOM 982 N ALA A 67 0.873 7.378 -3.990 1.00 0.60 N ATOM 983 CA ALA A 67 1.043 6.177 -4.804 1.00 0.69 C ATOM 984 C ALA A 67 1.870 6.507 -6.067 1.00 0.74 C ATOM 985 O ALA A 67 1.332 6.962 -7.080 1.00 1.23 O ATOM 986 CB ALA A 67 -0.362 5.643 -5.117 1.00 0.85 C ATOM 0 H ALA A 67 -0.074 7.757 -4.011 1.00 0.60 H new ATOM 0 HA ALA A 67 1.603 5.401 -4.281 1.00 0.69 H new ATOM 0 HB1 ALA A 67 -0.282 4.742 -5.726 1.00 0.85 H new ATOM 0 HB2 ALA A 67 -0.877 5.407 -4.186 1.00 0.85 H new ATOM 0 HB3 ALA A 67 -0.926 6.400 -5.662 1.00 0.85 H new ATOM 992 N ARG A 68 3.188 6.281 -6.005 1.00 0.65 N ATOM 993 CA ARG A 68 4.127 6.654 -7.061 1.00 0.76 C ATOM 994 C ARG A 68 4.140 5.578 -8.129 1.00 0.67 C ATOM 995 O ARG A 68 4.423 4.409 -7.885 1.00 0.67 O ATOM 996 CB ARG A 68 5.531 6.847 -6.475 1.00 1.00 C ATOM 997 CG ARG A 68 6.687 7.012 -7.470 1.00 1.11 C ATOM 998 CD ARG A 68 6.615 8.380 -8.145 1.00 1.96 C ATOM 999 NE ARG A 68 6.909 8.351 -9.578 1.00 3.02 N ATOM 1000 CZ ARG A 68 6.867 9.436 -10.342 1.00 4.45 C ATOM 1001 NH1 ARG A 68 6.600 10.635 -9.861 1.00 5.01 N ATOM 1002 NH2 ARG A 68 7.088 9.311 -11.630 1.00 5.83 N ATOM 0 H ARG A 68 3.635 5.828 -5.208 1.00 0.65 H new ATOM 0 HA ARG A 68 3.811 7.596 -7.510 1.00 0.76 H new ATOM 0 HB2 ARG A 68 5.511 7.726 -5.831 1.00 1.00 H new ATOM 0 HB3 ARG A 68 5.752 5.991 -5.838 1.00 1.00 H new ATOM 0 HG2 ARG A 68 7.640 6.904 -6.952 1.00 1.11 H new ATOM 0 HG3 ARG A 68 6.643 6.225 -8.223 1.00 1.11 H new ATOM 0 HD2 ARG A 68 5.618 8.795 -7.997 1.00 1.96 H new ATOM 0 HD3 ARG A 68 7.317 9.054 -7.654 1.00 1.96 H new ATOM 0 HE ARG A 68 7.157 7.460 -10.008 1.00 3.02 H new ATOM 0 HH11 ARG A 68 6.415 10.755 -8.865 1.00 5.01 H new ATOM 0 HH12 ARG A 68 6.578 11.442 -10.485 1.00 5.01 H new ATOM 0 HH21 ARG A 68 7.287 8.393 -12.026 1.00 5.83 H new ATOM 0 HH22 ARG A 68 7.060 10.132 -12.234 1.00 5.83 H new ATOM 1016 N VAL A 69 3.930 6.001 -9.360 1.00 0.85 N ATOM 1017 CA VAL A 69 4.045 5.172 -10.547 1.00 0.95 C ATOM 1018 C VAL A 69 5.502 4.869 -10.888 1.00 0.96 C ATOM 1019 O VAL A 69 6.335 5.776 -10.973 1.00 1.20 O ATOM 1020 CB VAL A 69 3.317 5.838 -11.730 1.00 1.41 C ATOM 1021 CG1 VAL A 69 1.804 5.592 -11.638 1.00 1.88 C ATOM 1022 CG2 VAL A 69 3.590 7.349 -11.885 1.00 2.56 C ATOM 0 H VAL A 69 3.666 6.963 -9.570 1.00 0.85 H new ATOM 0 HA VAL A 69 3.566 4.215 -10.340 1.00 0.95 H new ATOM 0 HB VAL A 69 3.728 5.364 -12.621 1.00 1.41 H new ATOM 0 HG11 VAL A 69 1.306 6.070 -12.482 1.00 1.88 H new ATOM 0 HG12 VAL A 69 1.608 4.520 -11.660 1.00 1.88 H new ATOM 0 HG13 VAL A 69 1.423 6.012 -10.707 1.00 1.88 H new ATOM 0 HG21 VAL A 69 3.037 7.733 -12.742 1.00 2.56 H new ATOM 0 HG22 VAL A 69 3.270 7.871 -10.983 1.00 2.56 H new ATOM 0 HG23 VAL A 69 4.657 7.512 -12.039 1.00 2.56 H new ATOM 1032 N LEU A 70 5.772 3.577 -11.097 1.00 0.92 N ATOM 1033 CA LEU A 70 7.051 3.047 -11.562 1.00 1.06 C ATOM 1034 C LEU A 70 6.927 2.531 -12.996 1.00 1.16 C ATOM 1035 O LEU A 70 5.837 2.143 -13.416 1.00 1.65 O ATOM 1036 CB LEU A 70 7.574 1.993 -10.564 1.00 1.14 C ATOM 1037 CG LEU A 70 6.956 0.571 -10.515 1.00 1.14 C ATOM 1038 CD1 LEU A 70 7.326 -0.344 -11.698 1.00 1.42 C ATOM 1039 CD2 LEU A 70 7.466 -0.131 -9.244 1.00 1.30 C ATOM 0 H LEU A 70 5.078 2.847 -10.940 1.00 0.92 H new ATOM 0 HA LEU A 70 7.797 3.841 -11.595 1.00 1.06 H new ATOM 0 HB2 LEU A 70 8.640 1.872 -10.755 1.00 1.14 H new ATOM 0 HB3 LEU A 70 7.475 2.420 -9.566 1.00 1.14 H new ATOM 0 HG LEU A 70 5.877 0.719 -10.544 1.00 1.14 H new ATOM 0 HD11 LEU A 70 6.846 -1.314 -11.572 1.00 1.42 H new ATOM 0 HD12 LEU A 70 6.987 0.110 -12.629 1.00 1.42 H new ATOM 0 HD13 LEU A 70 8.407 -0.476 -11.731 1.00 1.42 H new ATOM 0 HD21 LEU A 70 7.044 -1.134 -9.188 1.00 1.30 H new ATOM 0 HD22 LEU A 70 8.554 -0.196 -9.276 1.00 1.30 H new ATOM 0 HD23 LEU A 70 7.162 0.440 -8.366 1.00 1.30 H new ATOM 1051 N LYS A 71 8.042 2.502 -13.733 1.00 1.49 N ATOM 1052 CA LYS A 71 8.158 1.881 -15.063 1.00 1.78 C ATOM 1053 C LYS A 71 9.591 1.919 -15.624 1.00 2.38 C ATOM 1054 O LYS A 71 10.452 2.652 -15.142 1.00 3.29 O ATOM 1055 CB LYS A 71 7.167 2.502 -16.084 1.00 2.52 C ATOM 1056 CG LYS A 71 6.400 1.395 -16.825 1.00 3.51 C ATOM 1057 CD LYS A 71 5.499 1.969 -17.922 1.00 4.50 C ATOM 1058 CE LYS A 71 4.772 0.816 -18.628 1.00 5.26 C ATOM 1059 NZ LYS A 71 3.911 1.300 -19.735 1.00 6.40 N ATOM 0 H LYS A 71 8.916 2.921 -13.414 1.00 1.49 H new ATOM 0 HA LYS A 71 7.894 0.834 -14.916 1.00 1.78 H new ATOM 0 HB2 LYS A 71 6.465 3.157 -15.568 1.00 2.52 H new ATOM 0 HB3 LYS A 71 7.711 3.119 -16.800 1.00 2.52 H new ATOM 0 HG2 LYS A 71 7.108 0.693 -17.266 1.00 3.51 H new ATOM 0 HG3 LYS A 71 5.795 0.833 -16.114 1.00 3.51 H new ATOM 0 HD2 LYS A 71 4.776 2.662 -17.491 1.00 4.50 H new ATOM 0 HD3 LYS A 71 6.094 2.534 -18.640 1.00 4.50 H new ATOM 0 HE2 LYS A 71 5.505 0.111 -19.020 1.00 5.26 H new ATOM 0 HE3 LYS A 71 4.163 0.274 -17.905 1.00 5.26 H new ATOM 0 HZ1 LYS A 71 3.438 0.491 -20.186 1.00 6.40 H new ATOM 0 HZ2 LYS A 71 3.195 1.954 -19.358 1.00 6.40 H new ATOM 0 HZ3 LYS A 71 4.496 1.795 -20.438 1.00 6.40 H new ATOM 1073 N GLN A 72 9.800 1.193 -16.720 1.00 2.57 N ATOM 1074 CA GLN A 72 10.925 1.337 -17.636 1.00 3.46 C ATOM 1075 C GLN A 72 10.381 1.267 -19.074 1.00 3.37 C ATOM 1076 O GLN A 72 9.172 1.101 -19.279 1.00 3.46 O ATOM 1077 CB GLN A 72 11.979 0.243 -17.336 1.00 4.46 C ATOM 1078 CG GLN A 72 13.231 0.813 -16.643 1.00 5.25 C ATOM 1079 CD GLN A 72 14.057 1.735 -17.544 1.00 6.09 C ATOM 1080 OE1 GLN A 72 13.682 2.062 -18.660 1.00 6.51 O ATOM 1081 NE2 GLN A 72 15.211 2.193 -17.113 1.00 7.20 N ATOM 0 H GLN A 72 9.158 0.454 -17.005 1.00 2.57 H new ATOM 0 HA GLN A 72 11.426 2.297 -17.509 1.00 3.46 H new ATOM 0 HB2 GLN A 72 11.533 -0.524 -16.703 1.00 4.46 H new ATOM 0 HB3 GLN A 72 12.271 -0.242 -18.267 1.00 4.46 H new ATOM 0 HG2 GLN A 72 12.926 1.364 -15.754 1.00 5.25 H new ATOM 0 HG3 GLN A 72 13.859 -0.012 -16.307 1.00 5.25 H new ATOM 0 HE21 GLN A 72 15.547 1.935 -16.185 1.00 7.20 H new ATOM 0 HE22 GLN A 72 15.770 2.806 -17.706 1.00 7.20 H new ATOM 1090 N GLN A 73 11.263 1.407 -20.064 1.00 4.04 N ATOM 1091 CA GLN A 73 10.941 1.141 -21.467 1.00 4.28 C ATOM 1092 C GLN A 73 10.662 -0.352 -21.725 1.00 4.68 C ATOM 1093 O GLN A 73 11.088 -1.211 -20.958 1.00 5.25 O ATOM 1094 CB GLN A 73 12.060 1.679 -22.377 1.00 5.33 C ATOM 1095 CG GLN A 73 13.397 0.925 -22.231 1.00 6.63 C ATOM 1096 CD GLN A 73 14.471 1.423 -23.197 1.00 8.13 C ATOM 1097 OE1 GLN A 73 14.399 2.498 -23.767 1.00 8.66 O ATOM 1098 NE2 GLN A 73 15.518 0.660 -23.423 1.00 9.26 N ATOM 0 H GLN A 73 12.226 1.710 -19.915 1.00 4.04 H new ATOM 0 HA GLN A 73 10.018 1.669 -21.708 1.00 4.28 H new ATOM 0 HB2 GLN A 73 11.732 1.620 -23.415 1.00 5.33 H new ATOM 0 HB3 GLN A 73 12.222 2.733 -22.153 1.00 5.33 H new ATOM 0 HG2 GLN A 73 13.758 1.032 -21.208 1.00 6.63 H new ATOM 0 HG3 GLN A 73 13.229 -0.139 -22.400 1.00 6.63 H new ATOM 0 HE21 GLN A 73 15.600 -0.244 -22.958 1.00 9.26 H new ATOM 0 HE22 GLN A 73 16.248 0.972 -24.064 1.00 9.26 H new TER 1107 GLN A 73