USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 511 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 37 ASN : amide:sc= 0.0827 K(o=-1.7,f=-7.8!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.82! C(o=-1.7!,f=-4.8!) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.957 K(o=1.5,f=-0.63) USER MOD Set 2.2: A 46 SER OG : rot -156:sc= 0.495 USER MOD Single : A 3 GLN : amide:sc= 0.88 K(o=0.88,f=-0.61) USER MOD Single : A 4 THR OG1 : rot 130:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.5!) USER MOD Single : A 8 GLN : amide:sc= 0.975 K(o=0.98,f=-5.3!) USER MOD Single : A 12 MET CE :methyl 169:sc= 0 (180deg=-0.165) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00663 USER MOD Single : A 17 CYS SG : rot -53:sc= 1.05 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.054) USER MOD Single : A 33 SER OG : rot 51:sc= 1.25 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.0842 USER MOD Single : A 35 GLN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 48 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.5) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.697 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0.0901 K(o=0.09,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 -4.464 -10.755 -10.074 1.00 1.86 N ATOM 31 CA GLN A 3 -4.065 -9.457 -10.617 1.00 1.77 C ATOM 32 C GLN A 3 -3.410 -8.563 -9.545 1.00 1.50 C ATOM 33 O GLN A 3 -4.094 -7.863 -8.797 1.00 1.65 O ATOM 34 CB GLN A 3 -5.259 -8.782 -11.335 1.00 2.32 C ATOM 35 CG GLN A 3 -6.594 -8.670 -10.557 1.00 2.17 C ATOM 36 CD GLN A 3 -7.550 -9.866 -10.664 1.00 2.96 C ATOM 37 OE1 GLN A 3 -7.325 -10.858 -11.355 1.00 3.24 O ATOM 38 NE2 GLN A 3 -8.655 -9.847 -9.955 1.00 4.06 N ATOM 0 HA GLN A 3 -3.292 -9.617 -11.369 1.00 1.77 H new ATOM 0 HB2 GLN A 3 -4.953 -7.776 -11.623 1.00 2.32 H new ATOM 0 HB3 GLN A 3 -5.452 -9.332 -12.256 1.00 2.32 H new ATOM 0 HG2 GLN A 3 -6.363 -8.511 -9.504 1.00 2.17 H new ATOM 0 HG3 GLN A 3 -7.119 -7.781 -10.906 1.00 2.17 H new ATOM 0 HE21 GLN A 3 -8.872 -9.040 -9.371 1.00 4.06 H new ATOM 0 HE22 GLN A 3 -9.296 -10.640 -9.988 1.00 4.06 H new ATOM 47 N THR A 4 -2.071 -8.592 -9.475 1.00 1.34 N ATOM 48 CA THR A 4 -1.272 -7.755 -8.570 1.00 1.16 C ATOM 49 C THR A 4 -0.822 -6.475 -9.247 1.00 1.20 C ATOM 50 O THR A 4 -0.466 -6.440 -10.423 1.00 1.43 O ATOM 51 CB THR A 4 -0.120 -8.543 -7.913 1.00 1.02 C ATOM 52 OG1 THR A 4 0.516 -7.695 -6.993 1.00 0.97 O ATOM 53 CG2 THR A 4 0.933 -9.044 -8.903 1.00 1.28 C ATOM 0 H THR A 4 -1.504 -9.209 -10.056 1.00 1.34 H new ATOM 0 HA THR A 4 -1.918 -7.449 -7.747 1.00 1.16 H new ATOM 0 HB THR A 4 -0.561 -9.423 -7.446 1.00 1.02 H new ATOM 0 HG1 THR A 4 0.601 -8.153 -6.131 1.00 0.97 H new ATOM 0 HG21 THR A 4 1.709 -9.588 -8.365 1.00 1.28 H new ATOM 0 HG22 THR A 4 0.463 -9.707 -9.630 1.00 1.28 H new ATOM 0 HG23 THR A 4 1.378 -8.195 -9.421 1.00 1.28 H new ATOM 61 N ILE A 5 -0.822 -5.411 -8.455 1.00 1.04 N ATOM 62 CA ILE A 5 -0.171 -4.147 -8.770 1.00 1.01 C ATOM 63 C ILE A 5 1.153 -4.137 -8.014 1.00 0.83 C ATOM 64 O ILE A 5 1.186 -4.363 -6.804 1.00 0.76 O ATOM 65 CB ILE A 5 -1.078 -2.953 -8.394 1.00 1.13 C ATOM 66 CG1 ILE A 5 -2.425 -2.975 -9.159 1.00 1.50 C ATOM 67 CG2 ILE A 5 -0.356 -1.610 -8.618 1.00 1.08 C ATOM 68 CD1 ILE A 5 -2.330 -2.885 -10.689 1.00 2.29 C ATOM 0 H ILE A 5 -1.289 -5.404 -7.548 1.00 1.04 H new ATOM 0 HA ILE A 5 0.014 -4.047 -9.840 1.00 1.01 H new ATOM 0 HB ILE A 5 -1.302 -3.055 -7.332 1.00 1.13 H new ATOM 0 HG12 ILE A 5 -2.952 -3.893 -8.901 1.00 1.50 H new ATOM 0 HG13 ILE A 5 -3.036 -2.146 -8.803 1.00 1.50 H new ATOM 0 HG21 ILE A 5 -1.020 -0.790 -8.345 1.00 1.08 H new ATOM 0 HG22 ILE A 5 0.541 -1.572 -8.000 1.00 1.08 H new ATOM 0 HG23 ILE A 5 -0.078 -1.517 -9.668 1.00 1.08 H new ATOM 0 HD11 ILE A 5 -3.332 -2.909 -11.118 1.00 2.29 H new ATOM 0 HD12 ILE A 5 -1.838 -1.954 -10.969 1.00 2.29 H new ATOM 0 HD13 ILE A 5 -1.753 -3.728 -11.068 1.00 2.29 H new ATOM 80 N ASN A 6 2.228 -3.871 -8.750 1.00 0.88 N ATOM 81 CA ASN A 6 3.518 -3.462 -8.213 1.00 0.68 C ATOM 82 C ASN A 6 3.751 -1.998 -8.603 1.00 0.56 C ATOM 83 O ASN A 6 3.556 -1.600 -9.757 1.00 0.74 O ATOM 84 CB ASN A 6 4.643 -4.388 -8.705 1.00 0.79 C ATOM 85 CG ASN A 6 4.833 -4.367 -10.218 1.00 1.11 C ATOM 86 OD1 ASN A 6 5.755 -3.767 -10.745 1.00 2.21 O ATOM 87 ND2 ASN A 6 3.948 -5.001 -10.964 1.00 1.15 N ATOM 0 H ASN A 6 2.223 -3.937 -9.768 1.00 0.88 H new ATOM 0 HA ASN A 6 3.521 -3.545 -7.126 1.00 0.68 H new ATOM 0 HB2 ASN A 6 5.578 -4.097 -8.226 1.00 0.79 H new ATOM 0 HB3 ASN A 6 4.427 -5.408 -8.388 1.00 0.79 H new ATOM 0 HD21 ASN A 6 4.035 -4.989 -11.980 1.00 1.15 H new ATOM 0 HD22 ASN A 6 3.177 -5.503 -10.524 1.00 1.15 H new ATOM 94 N LEU A 7 4.120 -1.186 -7.618 1.00 0.48 N ATOM 95 CA LEU A 7 4.388 0.237 -7.767 1.00 0.45 C ATOM 96 C LEU A 7 5.404 0.676 -6.705 1.00 0.45 C ATOM 97 O LEU A 7 5.889 -0.144 -5.932 1.00 0.53 O ATOM 98 CB LEU A 7 3.053 1.016 -7.835 1.00 0.48 C ATOM 99 CG LEU A 7 2.320 1.399 -6.526 1.00 0.54 C ATOM 100 CD1 LEU A 7 0.908 1.884 -6.895 1.00 0.76 C ATOM 101 CD2 LEU A 7 2.186 0.245 -5.523 1.00 0.50 C ATOM 0 H LEU A 7 4.245 -1.514 -6.660 1.00 0.48 H new ATOM 0 HA LEU A 7 4.873 0.474 -8.714 1.00 0.45 H new ATOM 0 HB2 LEU A 7 3.242 1.938 -8.384 1.00 0.48 H new ATOM 0 HB3 LEU A 7 2.361 0.424 -8.434 1.00 0.48 H new ATOM 0 HG LEU A 7 2.919 2.169 -6.040 1.00 0.54 H new ATOM 0 HD11 LEU A 7 0.370 2.160 -5.988 1.00 0.76 H new ATOM 0 HD12 LEU A 7 0.981 2.751 -7.552 1.00 0.76 H new ATOM 0 HD13 LEU A 7 0.371 1.085 -7.406 1.00 0.76 H new ATOM 0 HD21 LEU A 7 1.662 0.595 -4.634 1.00 0.50 H new ATOM 0 HD22 LEU A 7 1.624 -0.570 -5.979 1.00 0.50 H new ATOM 0 HD23 LEU A 7 3.178 -0.111 -5.243 1.00 0.50 H new ATOM 113 N GLN A 8 5.800 1.938 -6.702 1.00 0.43 N ATOM 114 CA GLN A 8 6.626 2.572 -5.676 1.00 0.44 C ATOM 115 C GLN A 8 5.744 3.380 -4.719 1.00 0.48 C ATOM 116 O GLN A 8 4.555 3.574 -4.973 1.00 0.63 O ATOM 117 CB GLN A 8 7.708 3.409 -6.357 1.00 0.48 C ATOM 118 CG GLN A 8 8.908 2.581 -6.822 1.00 0.62 C ATOM 119 CD GLN A 8 9.742 3.387 -7.819 1.00 0.89 C ATOM 120 OE1 GLN A 8 9.735 3.159 -9.016 1.00 1.17 O ATOM 121 NE2 GLN A 8 10.442 4.406 -7.389 1.00 1.13 N ATOM 0 H GLN A 8 5.544 2.583 -7.449 1.00 0.43 H new ATOM 0 HA GLN A 8 7.131 1.823 -5.066 1.00 0.44 H new ATOM 0 HB2 GLN A 8 7.275 3.922 -7.215 1.00 0.48 H new ATOM 0 HB3 GLN A 8 8.052 4.178 -5.666 1.00 0.48 H new ATOM 0 HG2 GLN A 8 9.521 2.300 -5.965 1.00 0.62 H new ATOM 0 HG3 GLN A 8 8.565 1.656 -7.286 1.00 0.62 H new ATOM 0 HE21 GLN A 8 10.468 4.623 -6.393 1.00 1.13 H new ATOM 0 HE22 GLN A 8 10.962 4.983 -8.050 1.00 1.13 H new ATOM 130 N LEU A 9 6.305 3.885 -3.621 1.00 0.42 N ATOM 131 CA LEU A 9 5.495 4.497 -2.570 1.00 0.47 C ATOM 132 C LEU A 9 6.114 5.810 -2.075 1.00 0.55 C ATOM 133 O LEU A 9 7.130 5.800 -1.377 1.00 0.89 O ATOM 134 CB LEU A 9 5.327 3.470 -1.429 1.00 0.51 C ATOM 135 CG LEU A 9 4.023 3.664 -0.635 1.00 0.72 C ATOM 136 CD1 LEU A 9 2.821 3.126 -1.430 1.00 1.74 C ATOM 137 CD2 LEU A 9 4.117 2.925 0.707 1.00 1.68 C ATOM 0 H LEU A 9 7.308 3.883 -3.437 1.00 0.42 H new ATOM 0 HA LEU A 9 4.514 4.760 -2.966 1.00 0.47 H new ATOM 0 HB2 LEU A 9 5.345 2.464 -1.847 1.00 0.51 H new ATOM 0 HB3 LEU A 9 6.175 3.548 -0.749 1.00 0.51 H new ATOM 0 HG LEU A 9 3.881 4.730 -0.459 1.00 0.72 H new ATOM 0 HD11 LEU A 9 1.908 3.272 -0.853 1.00 1.74 H new ATOM 0 HD12 LEU A 9 2.741 3.661 -2.376 1.00 1.74 H new ATOM 0 HD13 LEU A 9 2.961 2.063 -1.626 1.00 1.74 H new ATOM 0 HD21 LEU A 9 3.191 3.065 1.265 1.00 1.68 H new ATOM 0 HD22 LEU A 9 4.274 1.862 0.527 1.00 1.68 H new ATOM 0 HD23 LEU A 9 4.952 3.322 1.284 1.00 1.68 H new ATOM 149 N GLU A 10 5.449 6.935 -2.346 1.00 0.60 N ATOM 150 CA GLU A 10 5.748 8.251 -1.761 1.00 0.90 C ATOM 151 C GLU A 10 5.151 8.291 -0.351 1.00 1.36 C ATOM 152 O GLU A 10 4.248 9.077 -0.054 1.00 0.91 O ATOM 153 CB GLU A 10 5.199 9.392 -2.643 1.00 1.13 C ATOM 154 CG GLU A 10 5.664 9.222 -4.083 1.00 1.68 C ATOM 155 CD GLU A 10 5.829 10.489 -4.908 1.00 1.90 C ATOM 156 OE1 GLU A 10 6.495 11.431 -4.432 1.00 2.49 O ATOM 157 OE2 GLU A 10 5.513 10.414 -6.114 1.00 2.98 O ATOM 0 H GLU A 10 4.664 6.960 -2.997 1.00 0.60 H new ATOM 0 HA GLU A 10 6.827 8.398 -1.706 1.00 0.90 H new ATOM 0 HB2 GLU A 10 4.110 9.398 -2.604 1.00 1.13 H new ATOM 0 HB3 GLU A 10 5.537 10.354 -2.256 1.00 1.13 H new ATOM 0 HG2 GLU A 10 6.620 8.698 -4.071 1.00 1.68 H new ATOM 0 HG3 GLU A 10 4.952 8.574 -4.595 1.00 1.68 H new ATOM 164 N GLY A 11 5.609 7.346 0.477 1.00 3.04 N ATOM 165 CA GLY A 11 5.058 7.025 1.787 1.00 4.09 C ATOM 166 C GLY A 11 6.043 6.376 2.745 1.00 3.78 C ATOM 167 O GLY A 11 5.619 5.938 3.811 1.00 5.03 O ATOM 0 H GLY A 11 6.409 6.761 0.237 1.00 3.04 H new ATOM 0 HA2 GLY A 11 4.679 7.940 2.241 1.00 4.09 H new ATOM 0 HA3 GLY A 11 4.206 6.358 1.655 1.00 4.09 H new ATOM 171 N MET A 12 7.338 6.332 2.415 1.00 2.38 N ATOM 172 CA MET A 12 8.391 6.169 3.425 1.00 1.83 C ATOM 173 C MET A 12 8.765 7.521 4.059 1.00 1.23 C ATOM 174 O MET A 12 8.757 8.561 3.398 1.00 2.04 O ATOM 175 CB MET A 12 9.606 5.411 2.865 1.00 2.16 C ATOM 176 CG MET A 12 10.150 5.932 1.527 1.00 2.37 C ATOM 177 SD MET A 12 11.836 5.384 1.136 1.00 3.52 S ATOM 178 CE MET A 12 11.682 3.590 1.320 1.00 3.81 C ATOM 0 H MET A 12 7.683 6.407 1.458 1.00 2.38 H new ATOM 0 HA MET A 12 7.995 5.547 4.228 1.00 1.83 H new ATOM 0 HB2 MET A 12 10.408 5.449 3.603 1.00 2.16 H new ATOM 0 HB3 MET A 12 9.334 4.363 2.743 1.00 2.16 H new ATOM 0 HG2 MET A 12 9.482 5.610 0.728 1.00 2.37 H new ATOM 0 HG3 MET A 12 10.129 7.022 1.540 1.00 2.37 H new ATOM 0 HE1 MET A 12 12.575 3.106 0.925 1.00 3.81 H new ATOM 0 HE2 MET A 12 11.570 3.341 2.375 1.00 3.81 H new ATOM 0 HE3 MET A 12 10.808 3.242 0.770 1.00 3.81 H new ATOM 188 N ARG A 13 9.071 7.514 5.365 1.00 1.53 N ATOM 189 CA ARG A 13 9.399 8.692 6.188 1.00 1.84 C ATOM 190 C ARG A 13 9.898 8.259 7.580 1.00 1.71 C ATOM 191 O ARG A 13 9.892 7.077 7.910 1.00 2.84 O ATOM 192 CB ARG A 13 8.187 9.653 6.303 1.00 3.02 C ATOM 193 CG ARG A 13 8.615 11.134 6.323 1.00 3.68 C ATOM 194 CD ARG A 13 8.865 11.699 4.911 1.00 3.64 C ATOM 195 NE ARG A 13 10.133 12.446 4.814 1.00 3.95 N ATOM 196 CZ ARG A 13 10.422 13.639 5.331 1.00 5.02 C ATOM 197 NH1 ARG A 13 9.547 14.336 6.031 1.00 5.93 N ATOM 198 NH2 ARG A 13 11.617 14.157 5.142 1.00 5.82 N ATOM 0 H ARG A 13 9.098 6.648 5.903 1.00 1.53 H new ATOM 0 HA ARG A 13 10.203 9.236 5.693 1.00 1.84 H new ATOM 0 HB2 ARG A 13 7.511 9.484 5.465 1.00 3.02 H new ATOM 0 HB3 ARG A 13 7.631 9.425 7.212 1.00 3.02 H new ATOM 0 HG2 ARG A 13 7.842 11.725 6.815 1.00 3.68 H new ATOM 0 HG3 ARG A 13 9.523 11.238 6.918 1.00 3.68 H new ATOM 0 HD2 ARG A 13 8.875 10.879 4.192 1.00 3.64 H new ATOM 0 HD3 ARG A 13 8.039 12.355 4.635 1.00 3.64 H new ATOM 0 HE ARG A 13 10.880 11.994 4.287 1.00 3.95 H new ATOM 0 HH11 ARG A 13 8.611 13.964 6.192 1.00 5.93 H new ATOM 0 HH12 ARG A 13 9.807 15.246 6.411 1.00 5.93 H new ATOM 0 HH21 ARG A 13 12.315 13.645 4.602 1.00 5.82 H new ATOM 0 HH22 ARG A 13 11.845 15.070 5.535 1.00 5.82 H new ATOM 212 N CYS A 14 10.308 9.207 8.425 1.00 2.06 N ATOM 213 CA CYS A 14 10.883 8.995 9.763 1.00 2.34 C ATOM 214 C CYS A 14 9.848 8.574 10.842 1.00 2.92 C ATOM 215 O CYS A 14 9.820 9.157 11.922 1.00 4.61 O ATOM 216 CB CYS A 14 11.631 10.289 10.147 1.00 2.96 C ATOM 217 SG CYS A 14 12.753 10.838 8.821 1.00 4.09 S ATOM 0 H CYS A 14 10.246 10.197 8.186 1.00 2.06 H new ATOM 0 HA CYS A 14 11.566 8.146 9.722 1.00 2.34 H new ATOM 0 HB2 CYS A 14 10.909 11.077 10.362 1.00 2.96 H new ATOM 0 HB3 CYS A 14 12.202 10.122 11.061 1.00 2.96 H new ATOM 0 HG CYS A 14 13.357 11.929 9.188 1.00 4.09 H new ATOM 223 N ALA A 15 8.969 7.613 10.541 1.00 2.16 N ATOM 224 CA ALA A 15 7.860 7.163 11.395 1.00 2.80 C ATOM 225 C ALA A 15 7.283 5.827 10.891 1.00 1.95 C ATOM 226 O ALA A 15 7.614 5.382 9.797 1.00 2.36 O ATOM 227 CB ALA A 15 6.780 8.260 11.450 1.00 4.05 C ATOM 0 H ALA A 15 9.011 7.104 9.658 1.00 2.16 H new ATOM 0 HA ALA A 15 8.232 6.989 12.405 1.00 2.80 H new ATOM 0 HB1 ALA A 15 5.957 7.929 12.083 1.00 4.05 H new ATOM 0 HB2 ALA A 15 7.210 9.173 11.862 1.00 4.05 H new ATOM 0 HB3 ALA A 15 6.409 8.456 10.444 1.00 4.05 H new ATOM 233 N ALA A 16 6.366 5.211 11.646 1.00 1.75 N ATOM 234 CA ALA A 16 5.812 3.872 11.375 1.00 1.24 C ATOM 235 C ALA A 16 4.964 3.719 10.085 1.00 0.94 C ATOM 236 O ALA A 16 4.507 2.613 9.796 1.00 1.04 O ATOM 237 CB ALA A 16 5.016 3.452 12.620 1.00 1.77 C ATOM 0 H ALA A 16 5.976 5.639 12.486 1.00 1.75 H new ATOM 0 HA ALA A 16 6.658 3.214 11.175 1.00 1.24 H new ATOM 0 HB1 ALA A 16 4.587 2.463 12.461 1.00 1.77 H new ATOM 0 HB2 ALA A 16 5.680 3.425 13.484 1.00 1.77 H new ATOM 0 HB3 ALA A 16 4.215 4.170 12.799 1.00 1.77 H new ATOM 243 N CYS A 17 4.750 4.802 9.321 1.00 0.90 N ATOM 244 CA CYS A 17 3.984 4.912 8.072 1.00 1.18 C ATOM 245 C CYS A 17 3.810 3.605 7.275 1.00 0.79 C ATOM 246 O CYS A 17 2.711 3.058 7.279 1.00 0.71 O ATOM 247 CB CYS A 17 4.597 6.059 7.237 1.00 1.84 C ATOM 248 SG CYS A 17 6.382 5.844 6.931 1.00 4.47 S ATOM 0 H CYS A 17 5.145 5.704 9.587 1.00 0.90 H new ATOM 0 HA CYS A 17 2.953 5.144 8.338 1.00 1.18 H new ATOM 0 HB2 CYS A 17 4.076 6.124 6.282 1.00 1.84 H new ATOM 0 HB3 CYS A 17 4.434 7.005 7.754 1.00 1.84 H new ATOM 0 HG CYS A 17 6.995 5.646 8.060 1.00 4.47 H new ATOM 254 N ALA A 18 4.859 3.087 6.634 1.00 0.85 N ATOM 255 CA ALA A 18 4.792 1.964 5.692 1.00 0.82 C ATOM 256 C ALA A 18 4.230 0.676 6.316 1.00 0.64 C ATOM 257 O ALA A 18 3.311 0.071 5.777 1.00 0.77 O ATOM 258 CB ALA A 18 6.194 1.752 5.108 1.00 1.05 C ATOM 0 H ALA A 18 5.806 3.446 6.758 1.00 0.85 H new ATOM 0 HA ALA A 18 4.086 2.214 4.900 1.00 0.82 H new ATOM 0 HB1 ALA A 18 6.173 0.921 4.403 1.00 1.05 H new ATOM 0 HB2 ALA A 18 6.514 2.657 4.592 1.00 1.05 H new ATOM 0 HB3 ALA A 18 6.893 1.527 5.913 1.00 1.05 H new ATOM 264 N SER A 19 4.686 0.296 7.510 1.00 0.65 N ATOM 265 CA SER A 19 4.138 -0.891 8.196 1.00 0.82 C ATOM 266 C SER A 19 2.725 -0.656 8.765 1.00 0.73 C ATOM 267 O SER A 19 1.964 -1.601 8.978 1.00 0.89 O ATOM 268 CB SER A 19 5.072 -1.353 9.319 1.00 1.20 C ATOM 269 OG SER A 19 4.668 -2.629 9.788 1.00 2.15 O ATOM 0 H SER A 19 5.423 0.780 8.022 1.00 0.65 H new ATOM 0 HA SER A 19 4.062 -1.670 7.437 1.00 0.82 H new ATOM 0 HB2 SER A 19 6.098 -1.398 8.955 1.00 1.20 H new ATOM 0 HB3 SER A 19 5.055 -0.633 10.137 1.00 1.20 H new ATOM 0 HG SER A 19 5.270 -2.920 10.505 1.00 2.15 H new ATOM 275 N SER A 20 2.356 0.601 9.013 1.00 0.64 N ATOM 276 CA SER A 20 0.990 1.012 9.350 1.00 0.68 C ATOM 277 C SER A 20 0.063 1.023 8.113 1.00 0.60 C ATOM 278 O SER A 20 -1.151 0.866 8.239 1.00 0.59 O ATOM 279 CB SER A 20 1.059 2.391 10.028 1.00 0.80 C ATOM 280 OG SER A 20 0.006 2.615 10.953 1.00 1.22 O ATOM 0 H SER A 20 3.013 1.381 8.985 1.00 0.64 H new ATOM 0 HA SER A 20 0.551 0.287 10.036 1.00 0.68 H new ATOM 0 HB2 SER A 20 2.014 2.487 10.545 1.00 0.80 H new ATOM 0 HB3 SER A 20 1.032 3.166 9.262 1.00 0.80 H new ATOM 0 HG SER A 20 0.104 3.505 11.352 1.00 1.22 H new ATOM 286 N ILE A 21 0.624 1.186 6.909 1.00 0.62 N ATOM 287 CA ILE A 21 -0.036 1.031 5.600 1.00 0.70 C ATOM 288 C ILE A 21 -0.300 -0.453 5.315 1.00 0.74 C ATOM 289 O ILE A 21 -1.462 -0.811 5.163 1.00 0.82 O ATOM 290 CB ILE A 21 0.780 1.772 4.510 1.00 0.95 C ATOM 291 CG1 ILE A 21 0.628 3.301 4.708 1.00 0.95 C ATOM 292 CG2 ILE A 21 0.391 1.321 3.088 1.00 1.07 C ATOM 293 CD1 ILE A 21 1.740 4.126 4.051 1.00 1.39 C ATOM 0 H ILE A 21 1.606 1.444 6.813 1.00 0.62 H new ATOM 0 HA ILE A 21 -1.019 1.502 5.601 1.00 0.70 H new ATOM 0 HB ILE A 21 1.833 1.512 4.620 1.00 0.95 H new ATOM 0 HG12 ILE A 21 -0.333 3.616 4.302 1.00 0.95 H new ATOM 0 HG13 ILE A 21 0.610 3.519 5.776 1.00 0.95 H new ATOM 0 HG21 ILE A 21 0.988 1.867 2.357 1.00 1.07 H new ATOM 0 HG22 ILE A 21 0.576 0.252 2.982 1.00 1.07 H new ATOM 0 HG23 ILE A 21 -0.666 1.525 2.918 1.00 1.07 H new ATOM 0 HD11 ILE A 21 1.563 5.186 4.234 1.00 1.39 H new ATOM 0 HD12 ILE A 21 2.703 3.840 4.474 1.00 1.39 H new ATOM 0 HD13 ILE A 21 1.746 3.939 2.977 1.00 1.39 H new ATOM 305 N GLU A 22 0.706 -1.330 5.399 1.00 0.72 N ATOM 306 CA GLU A 22 0.502 -2.790 5.320 1.00 0.72 C ATOM 307 C GLU A 22 -0.615 -3.246 6.282 1.00 0.75 C ATOM 308 O GLU A 22 -1.555 -3.948 5.903 1.00 0.76 O ATOM 309 CB GLU A 22 1.808 -3.532 5.673 1.00 0.74 C ATOM 310 CG GLU A 22 3.018 -3.244 4.772 1.00 0.78 C ATOM 311 CD GLU A 22 2.948 -3.944 3.416 1.00 1.66 C ATOM 312 OE1 GLU A 22 1.996 -3.655 2.663 1.00 3.34 O ATOM 313 OE2 GLU A 22 3.863 -4.753 3.132 1.00 2.20 O ATOM 0 H GLU A 22 1.681 -1.056 5.523 1.00 0.72 H new ATOM 0 HA GLU A 22 0.208 -3.030 4.298 1.00 0.72 H new ATOM 0 HB2 GLU A 22 2.078 -3.281 6.699 1.00 0.74 H new ATOM 0 HB3 GLU A 22 1.610 -4.604 5.648 1.00 0.74 H new ATOM 0 HG2 GLU A 22 3.095 -2.168 4.613 1.00 0.78 H new ATOM 0 HG3 GLU A 22 3.927 -3.556 5.287 1.00 0.78 H new ATOM 320 N ARG A 23 -0.575 -2.771 7.534 1.00 0.80 N ATOM 321 CA ARG A 23 -1.603 -3.061 8.542 1.00 0.96 C ATOM 322 C ARG A 23 -2.948 -2.347 8.318 1.00 1.11 C ATOM 323 O ARG A 23 -3.964 -2.760 8.884 1.00 1.28 O ATOM 324 CB ARG A 23 -1.019 -2.765 9.926 1.00 0.94 C ATOM 325 CG ARG A 23 -1.817 -3.486 11.021 1.00 1.17 C ATOM 326 CD ARG A 23 -1.001 -3.662 12.307 1.00 2.07 C ATOM 327 NE ARG A 23 -1.712 -4.522 13.270 1.00 2.21 N ATOM 328 CZ ARG A 23 -1.812 -5.849 13.230 1.00 2.19 C ATOM 329 NH1 ARG A 23 -1.253 -6.579 12.284 1.00 3.02 N ATOM 330 NH2 ARG A 23 -2.501 -6.473 14.158 1.00 2.57 N ATOM 0 H ARG A 23 0.175 -2.172 7.878 1.00 0.80 H new ATOM 0 HA ARG A 23 -1.859 -4.117 8.453 1.00 0.96 H new ATOM 0 HB2 ARG A 23 0.023 -3.082 9.961 1.00 0.94 H new ATOM 0 HB3 ARG A 23 -1.032 -1.690 10.109 1.00 0.94 H new ATOM 0 HG2 ARG A 23 -2.723 -2.921 11.241 1.00 1.17 H new ATOM 0 HG3 ARG A 23 -2.132 -4.463 10.655 1.00 1.17 H new ATOM 0 HD2 ARG A 23 -0.031 -4.100 12.070 1.00 2.07 H new ATOM 0 HD3 ARG A 23 -0.809 -2.688 12.757 1.00 2.07 H new ATOM 0 HE ARG A 23 -2.175 -4.052 14.048 1.00 2.21 H new ATOM 0 HH11 ARG A 23 -0.717 -6.129 11.542 1.00 3.02 H new ATOM 0 HH12 ARG A 23 -1.357 -7.594 12.294 1.00 3.02 H new ATOM 0 HH21 ARG A 23 -2.954 -5.941 14.901 1.00 2.57 H new ATOM 0 HH22 ARG A 23 -2.583 -7.489 14.135 1.00 2.57 H new ATOM 344 N ALA A 24 -2.988 -1.273 7.531 1.00 1.11 N ATOM 345 CA ALA A 24 -4.234 -0.675 7.044 1.00 1.28 C ATOM 346 C ALA A 24 -4.840 -1.507 5.906 1.00 1.14 C ATOM 347 O ALA A 24 -6.037 -1.789 5.955 1.00 1.24 O ATOM 348 CB ALA A 24 -4.003 0.781 6.619 1.00 1.40 C ATOM 0 H ALA A 24 -2.150 -0.788 7.210 1.00 1.11 H new ATOM 0 HA ALA A 24 -4.955 -0.673 7.861 1.00 1.28 H new ATOM 0 HB1 ALA A 24 -4.939 1.208 6.260 1.00 1.40 H new ATOM 0 HB2 ALA A 24 -3.645 1.357 7.472 1.00 1.40 H new ATOM 0 HB3 ALA A 24 -3.260 0.814 5.822 1.00 1.40 H new ATOM 354 N ILE A 25 -4.019 -1.952 4.947 1.00 0.92 N ATOM 355 CA ILE A 25 -4.430 -2.790 3.812 1.00 0.83 C ATOM 356 C ILE A 25 -4.998 -4.111 4.325 1.00 0.82 C ATOM 357 O ILE A 25 -6.060 -4.532 3.869 1.00 0.92 O ATOM 358 CB ILE A 25 -3.223 -2.999 2.858 1.00 0.73 C ATOM 359 CG1 ILE A 25 -2.836 -1.660 2.187 1.00 0.95 C ATOM 360 CG2 ILE A 25 -3.536 -4.071 1.795 1.00 0.83 C ATOM 361 CD1 ILE A 25 -1.554 -1.711 1.350 1.00 1.57 C ATOM 0 H ILE A 25 -3.023 -1.733 4.938 1.00 0.92 H new ATOM 0 HA ILE A 25 -5.218 -2.296 3.244 1.00 0.83 H new ATOM 0 HB ILE A 25 -2.377 -3.352 3.447 1.00 0.73 H new ATOM 0 HG12 ILE A 25 -3.658 -1.338 1.548 1.00 0.95 H new ATOM 0 HG13 ILE A 25 -2.718 -0.902 2.961 1.00 0.95 H new ATOM 0 HG21 ILE A 25 -2.674 -4.197 1.140 1.00 0.83 H new ATOM 0 HG22 ILE A 25 -3.759 -5.017 2.287 1.00 0.83 H new ATOM 0 HG23 ILE A 25 -4.397 -3.757 1.205 1.00 0.83 H new ATOM 0 HD11 ILE A 25 -1.362 -0.729 0.919 1.00 1.57 H new ATOM 0 HD12 ILE A 25 -0.716 -1.999 1.985 1.00 1.57 H new ATOM 0 HD13 ILE A 25 -1.671 -2.442 0.550 1.00 1.57 H new ATOM 373 N ALA A 26 -4.336 -4.716 5.317 1.00 0.80 N ATOM 374 CA ALA A 26 -4.616 -6.063 5.834 1.00 0.78 C ATOM 375 C ALA A 26 -6.080 -6.368 6.232 1.00 0.71 C ATOM 376 O ALA A 26 -6.430 -7.530 6.408 1.00 0.79 O ATOM 377 CB ALA A 26 -3.657 -6.327 7.001 1.00 0.80 C ATOM 0 H ALA A 26 -3.560 -4.265 5.802 1.00 0.80 H new ATOM 0 HA ALA A 26 -4.453 -6.747 5.001 1.00 0.78 H new ATOM 0 HB1 ALA A 26 -3.842 -7.322 7.406 1.00 0.80 H new ATOM 0 HB2 ALA A 26 -2.628 -6.265 6.647 1.00 0.80 H new ATOM 0 HB3 ALA A 26 -3.819 -5.582 7.780 1.00 0.80 H new ATOM 383 N LYS A 27 -6.950 -5.364 6.408 1.00 0.67 N ATOM 384 CA LYS A 27 -8.379 -5.563 6.641 1.00 0.65 C ATOM 385 C LYS A 27 -9.243 -5.628 5.368 1.00 0.57 C ATOM 386 O LYS A 27 -10.423 -5.953 5.484 1.00 0.62 O ATOM 387 CB LYS A 27 -8.893 -4.444 7.548 1.00 0.75 C ATOM 388 CG LYS A 27 -8.286 -4.550 8.949 1.00 0.93 C ATOM 389 CD LYS A 27 -6.991 -3.765 9.173 1.00 1.60 C ATOM 390 CE LYS A 27 -7.123 -2.258 8.904 1.00 2.65 C ATOM 391 NZ LYS A 27 -8.302 -1.649 9.573 1.00 3.33 N ATOM 0 H LYS A 27 -6.674 -4.382 6.392 1.00 0.67 H new ATOM 0 HA LYS A 27 -8.475 -6.543 7.108 1.00 0.65 H new ATOM 0 HB2 LYS A 27 -8.645 -3.476 7.113 1.00 0.75 H new ATOM 0 HB3 LYS A 27 -9.980 -4.495 7.614 1.00 0.75 H new ATOM 0 HG2 LYS A 27 -9.026 -4.208 9.672 1.00 0.93 H new ATOM 0 HG3 LYS A 27 -8.093 -5.601 9.163 1.00 0.93 H new ATOM 0 HD2 LYS A 27 -6.661 -3.913 10.201 1.00 1.60 H new ATOM 0 HD3 LYS A 27 -6.214 -4.173 8.527 1.00 1.60 H new ATOM 0 HE2 LYS A 27 -6.219 -1.753 9.244 1.00 2.65 H new ATOM 0 HE3 LYS A 27 -7.196 -2.092 7.829 1.00 2.65 H new ATOM 0 HZ1 LYS A 27 -8.292 -0.620 9.426 1.00 3.33 H new ATOM 0 HZ2 LYS A 27 -9.174 -2.048 9.170 1.00 3.33 H new ATOM 0 HZ3 LYS A 27 -8.267 -1.853 10.592 1.00 3.33 H new ATOM 405 N VAL A 28 -8.727 -5.269 4.187 1.00 0.55 N ATOM 406 CA VAL A 28 -9.529 -5.280 2.952 1.00 0.58 C ATOM 407 C VAL A 28 -9.840 -6.725 2.552 1.00 0.64 C ATOM 408 O VAL A 28 -8.902 -7.515 2.445 1.00 0.57 O ATOM 409 CB VAL A 28 -8.859 -4.478 1.807 1.00 0.66 C ATOM 410 CG1 VAL A 28 -7.695 -5.174 1.112 1.00 1.93 C ATOM 411 CG2 VAL A 28 -9.881 -4.067 0.737 1.00 2.51 C ATOM 0 H VAL A 28 -7.761 -4.968 4.057 1.00 0.55 H new ATOM 0 HA VAL A 28 -10.472 -4.770 3.148 1.00 0.58 H new ATOM 0 HB VAL A 28 -8.447 -3.607 2.318 1.00 0.66 H new ATOM 0 HG11 VAL A 28 -7.300 -4.527 0.329 1.00 1.93 H new ATOM 0 HG12 VAL A 28 -6.911 -5.385 1.839 1.00 1.93 H new ATOM 0 HG13 VAL A 28 -8.041 -6.109 0.670 1.00 1.93 H new ATOM 0 HG21 VAL A 28 -9.378 -3.506 -0.051 1.00 2.51 H new ATOM 0 HG22 VAL A 28 -10.340 -4.959 0.311 1.00 2.51 H new ATOM 0 HG23 VAL A 28 -10.652 -3.443 1.190 1.00 2.51 H new ATOM 421 N PRO A 29 -11.110 -7.094 2.298 1.00 0.88 N ATOM 422 CA PRO A 29 -11.452 -8.483 2.025 1.00 1.07 C ATOM 423 C PRO A 29 -10.829 -8.997 0.717 1.00 1.10 C ATOM 424 O PRO A 29 -10.762 -10.205 0.513 1.00 2.23 O ATOM 425 CB PRO A 29 -12.983 -8.541 2.016 1.00 1.40 C ATOM 426 CG PRO A 29 -13.385 -7.122 1.629 1.00 1.39 C ATOM 427 CD PRO A 29 -12.309 -6.268 2.296 1.00 1.05 C ATOM 0 HA PRO A 29 -11.043 -9.146 2.788 1.00 1.07 H new ATOM 0 HB2 PRO A 29 -13.354 -9.274 1.299 1.00 1.40 H new ATOM 0 HB3 PRO A 29 -13.381 -8.820 2.992 1.00 1.40 H new ATOM 0 HG2 PRO A 29 -13.396 -6.986 0.548 1.00 1.39 H new ATOM 0 HG3 PRO A 29 -14.382 -6.871 1.992 1.00 1.39 H new ATOM 0 HD2 PRO A 29 -12.147 -5.340 1.747 1.00 1.05 H new ATOM 0 HD3 PRO A 29 -12.598 -5.992 3.310 1.00 1.05 H new ATOM 435 N GLY A 30 -10.330 -8.095 -0.140 1.00 0.89 N ATOM 436 CA GLY A 30 -9.636 -8.439 -1.373 1.00 1.05 C ATOM 437 C GLY A 30 -8.142 -8.746 -1.234 1.00 0.74 C ATOM 438 O GLY A 30 -7.620 -9.321 -2.184 1.00 0.72 O ATOM 0 H GLY A 30 -10.403 -7.089 0.014 1.00 0.89 H new ATOM 0 HA2 GLY A 30 -10.126 -9.307 -1.814 1.00 1.05 H new ATOM 0 HA3 GLY A 30 -9.754 -7.615 -2.076 1.00 1.05 H new ATOM 442 N VAL A 31 -7.439 -8.369 -0.149 1.00 0.68 N ATOM 443 CA VAL A 31 -5.967 -8.548 -0.087 1.00 0.71 C ATOM 444 C VAL A 31 -5.627 -10.035 -0.067 1.00 0.64 C ATOM 445 O VAL A 31 -5.886 -10.753 0.896 1.00 0.82 O ATOM 446 CB VAL A 31 -5.218 -7.768 1.022 1.00 1.10 C ATOM 447 CG1 VAL A 31 -5.542 -8.180 2.466 1.00 1.37 C ATOM 448 CG2 VAL A 31 -3.696 -7.853 0.805 1.00 1.47 C ATOM 0 H VAL A 31 -7.851 -7.947 0.683 1.00 0.68 H new ATOM 0 HA VAL A 31 -5.589 -8.083 -0.998 1.00 0.71 H new ATOM 0 HB VAL A 31 -5.582 -6.746 0.919 1.00 1.10 H new ATOM 0 HG11 VAL A 31 -4.962 -7.569 3.158 1.00 1.37 H new ATOM 0 HG12 VAL A 31 -6.605 -8.033 2.656 1.00 1.37 H new ATOM 0 HG13 VAL A 31 -5.289 -9.230 2.610 1.00 1.37 H new ATOM 0 HG21 VAL A 31 -3.185 -7.300 1.593 1.00 1.47 H new ATOM 0 HG22 VAL A 31 -3.382 -8.897 0.832 1.00 1.47 H new ATOM 0 HG23 VAL A 31 -3.442 -7.423 -0.164 1.00 1.47 H new ATOM 458 N GLN A 32 -5.045 -10.486 -1.173 1.00 0.74 N ATOM 459 CA GLN A 32 -4.532 -11.840 -1.339 1.00 0.83 C ATOM 460 C GLN A 32 -3.005 -11.875 -1.207 1.00 0.96 C ATOM 461 O GLN A 32 -2.444 -12.967 -1.187 1.00 1.22 O ATOM 462 CB GLN A 32 -5.043 -12.418 -2.670 1.00 1.10 C ATOM 463 CG GLN A 32 -4.465 -11.707 -3.907 1.00 1.09 C ATOM 464 CD GLN A 32 -3.457 -12.522 -4.716 1.00 1.54 C ATOM 465 OE1 GLN A 32 -3.493 -12.494 -5.940 1.00 2.00 O ATOM 466 NE2 GLN A 32 -2.526 -13.224 -4.103 1.00 1.76 N ATOM 0 H GLN A 32 -4.914 -9.904 -2.000 1.00 0.74 H new ATOM 0 HA GLN A 32 -4.907 -12.478 -0.539 1.00 0.83 H new ATOM 0 HB2 GLN A 32 -4.791 -13.477 -2.718 1.00 1.10 H new ATOM 0 HB3 GLN A 32 -6.130 -12.348 -2.695 1.00 1.10 H new ATOM 0 HG2 GLN A 32 -5.289 -11.425 -4.562 1.00 1.09 H new ATOM 0 HG3 GLN A 32 -3.985 -10.783 -3.584 1.00 1.09 H new ATOM 0 HE21 GLN A 32 -2.494 -13.249 -3.084 1.00 1.76 H new ATOM 0 HE22 GLN A 32 -1.837 -13.743 -4.648 1.00 1.76 H new ATOM 475 N SER A 33 -2.337 -10.714 -1.109 1.00 0.91 N ATOM 476 CA SER A 33 -0.955 -10.518 -0.643 1.00 1.07 C ATOM 477 C SER A 33 -0.596 -9.032 -0.749 1.00 1.01 C ATOM 478 O SER A 33 -0.858 -8.436 -1.791 1.00 1.06 O ATOM 479 CB SER A 33 0.076 -11.330 -1.453 1.00 1.49 C ATOM 480 OG SER A 33 0.128 -12.685 -1.045 1.00 2.14 O ATOM 0 H SER A 33 -2.776 -9.831 -1.370 1.00 0.91 H new ATOM 0 HA SER A 33 -0.914 -10.869 0.388 1.00 1.07 H new ATOM 0 HB2 SER A 33 -0.176 -11.281 -2.512 1.00 1.49 H new ATOM 0 HB3 SER A 33 1.062 -10.880 -1.339 1.00 1.49 H new ATOM 0 HG SER A 33 -0.779 -13.057 -1.029 1.00 2.14 H new ATOM 486 N CYS A 34 0.028 -8.467 0.294 1.00 1.01 N ATOM 487 CA CYS A 34 0.748 -7.187 0.312 1.00 0.94 C ATOM 488 C CYS A 34 2.237 -7.435 0.635 1.00 0.86 C ATOM 489 O CYS A 34 2.565 -8.551 1.047 1.00 1.31 O ATOM 490 CB CYS A 34 0.091 -6.246 1.344 1.00 1.14 C ATOM 491 SG CYS A 34 -0.153 -7.085 2.939 1.00 1.56 S ATOM 0 H CYS A 34 0.044 -8.922 1.207 1.00 1.01 H new ATOM 0 HA CYS A 34 0.693 -6.710 -0.666 1.00 0.94 H new ATOM 0 HB2 CYS A 34 0.716 -5.365 1.486 1.00 1.14 H new ATOM 0 HB3 CYS A 34 -0.869 -5.898 0.963 1.00 1.14 H new ATOM 0 HG CYS A 34 -0.705 -6.263 3.782 1.00 1.56 H new ATOM 497 N GLN A 35 3.115 -6.449 0.402 1.00 0.53 N ATOM 498 CA GLN A 35 4.575 -6.469 0.568 1.00 0.60 C ATOM 499 C GLN A 35 5.184 -5.114 0.143 1.00 0.57 C ATOM 500 O GLN A 35 5.309 -4.835 -1.050 1.00 0.81 O ATOM 501 CB GLN A 35 5.189 -7.613 -0.265 1.00 0.79 C ATOM 502 CG GLN A 35 5.491 -8.893 0.522 1.00 0.93 C ATOM 503 CD GLN A 35 5.198 -10.145 -0.308 1.00 1.44 C ATOM 504 OE1 GLN A 35 6.082 -10.821 -0.807 1.00 2.34 O ATOM 505 NE2 GLN A 35 3.946 -10.500 -0.505 1.00 1.63 N ATOM 0 H GLN A 35 2.795 -5.541 0.064 1.00 0.53 H new ATOM 0 HA GLN A 35 4.803 -6.638 1.620 1.00 0.60 H new ATOM 0 HB2 GLN A 35 4.507 -7.857 -1.079 1.00 0.79 H new ATOM 0 HB3 GLN A 35 6.113 -7.257 -0.720 1.00 0.79 H new ATOM 0 HG2 GLN A 35 6.537 -8.895 0.828 1.00 0.93 H new ATOM 0 HG3 GLN A 35 4.893 -8.911 1.433 1.00 0.93 H new ATOM 0 HE21 GLN A 35 3.190 -9.950 -0.098 1.00 1.63 H new ATOM 0 HE22 GLN A 35 3.732 -11.325 -1.065 1.00 1.63 H new ATOM 514 N VAL A 36 5.588 -4.293 1.114 1.00 0.56 N ATOM 515 CA VAL A 36 6.329 -3.022 0.978 1.00 0.45 C ATOM 516 C VAL A 36 7.830 -3.176 1.292 1.00 0.53 C ATOM 517 O VAL A 36 8.220 -3.858 2.240 1.00 0.69 O ATOM 518 CB VAL A 36 5.686 -1.908 1.846 1.00 0.55 C ATOM 519 CG1 VAL A 36 5.992 -2.025 3.355 1.00 1.52 C ATOM 520 CG2 VAL A 36 6.117 -0.503 1.393 1.00 1.22 C ATOM 0 H VAL A 36 5.395 -4.509 2.092 1.00 0.56 H new ATOM 0 HA VAL A 36 6.258 -2.726 -0.069 1.00 0.45 H new ATOM 0 HB VAL A 36 4.616 -2.052 1.698 1.00 0.55 H new ATOM 0 HG11 VAL A 36 5.506 -1.209 3.889 1.00 1.52 H new ATOM 0 HG12 VAL A 36 5.618 -2.978 3.729 1.00 1.52 H new ATOM 0 HG13 VAL A 36 7.069 -1.971 3.513 1.00 1.52 H new ATOM 0 HG21 VAL A 36 5.643 0.245 2.028 1.00 1.22 H new ATOM 0 HG22 VAL A 36 7.200 -0.412 1.471 1.00 1.22 H new ATOM 0 HG23 VAL A 36 5.813 -0.345 0.358 1.00 1.22 H new ATOM 530 N ASN A 37 8.671 -2.488 0.516 1.00 0.49 N ATOM 531 CA ASN A 37 10.130 -2.500 0.596 1.00 0.58 C ATOM 532 C ASN A 37 10.670 -1.127 1.025 1.00 0.57 C ATOM 533 O ASN A 37 10.824 -0.199 0.225 1.00 0.59 O ATOM 534 CB ASN A 37 10.683 -2.934 -0.766 1.00 0.71 C ATOM 535 CG ASN A 37 12.200 -3.108 -0.784 1.00 0.96 C ATOM 536 OD1 ASN A 37 12.951 -2.307 -0.242 1.00 0.94 O ATOM 537 ND2 ASN A 37 12.694 -4.135 -1.449 1.00 1.49 N ATOM 0 H ASN A 37 8.332 -1.875 -0.225 1.00 0.49 H new ATOM 0 HA ASN A 37 10.458 -3.209 1.357 1.00 0.58 H new ATOM 0 HB2 ASN A 37 10.215 -3.875 -1.056 1.00 0.71 H new ATOM 0 HB3 ASN A 37 10.402 -2.194 -1.515 1.00 0.71 H new ATOM 0 HD21 ASN A 37 13.704 -4.263 -1.513 1.00 1.49 H new ATOM 0 HD22 ASN A 37 12.066 -4.801 -1.899 1.00 1.49 H new ATOM 544 N PHE A 38 11.049 -1.024 2.302 1.00 0.67 N ATOM 545 CA PHE A 38 11.503 0.210 2.953 1.00 0.74 C ATOM 546 C PHE A 38 12.963 0.612 2.621 1.00 0.79 C ATOM 547 O PHE A 38 13.631 1.240 3.437 1.00 0.93 O ATOM 548 CB PHE A 38 11.235 0.076 4.464 1.00 0.97 C ATOM 549 CG PHE A 38 11.030 1.396 5.183 1.00 1.11 C ATOM 550 CD1 PHE A 38 9.813 2.089 5.034 1.00 1.84 C ATOM 551 CD2 PHE A 38 12.033 1.928 6.016 1.00 2.46 C ATOM 552 CE1 PHE A 38 9.593 3.294 5.723 1.00 2.31 C ATOM 553 CE2 PHE A 38 11.818 3.139 6.697 1.00 3.07 C ATOM 554 CZ PHE A 38 10.595 3.819 6.556 1.00 2.56 C ATOM 0 H PHE A 38 11.048 -1.825 2.934 1.00 0.67 H new ATOM 0 HA PHE A 38 10.931 1.045 2.550 1.00 0.74 H new ATOM 0 HB2 PHE A 38 10.351 -0.545 4.610 1.00 0.97 H new ATOM 0 HB3 PHE A 38 12.072 -0.448 4.924 1.00 0.97 H new ATOM 0 HD1 PHE A 38 9.045 1.692 4.387 1.00 1.84 H new ATOM 0 HD2 PHE A 38 12.970 1.404 6.132 1.00 2.46 H new ATOM 0 HE1 PHE A 38 8.654 3.816 5.612 1.00 2.31 H new ATOM 0 HE2 PHE A 38 12.593 3.547 7.329 1.00 3.07 H new ATOM 0 HZ PHE A 38 10.426 4.744 7.088 1.00 2.56 H new ATOM 564 N ALA A 39 13.480 0.247 1.442 1.00 0.82 N ATOM 565 CA ALA A 39 14.830 0.591 0.986 1.00 0.86 C ATOM 566 C ALA A 39 14.872 0.901 -0.518 1.00 0.83 C ATOM 567 O ALA A 39 15.692 1.703 -0.952 1.00 1.01 O ATOM 568 CB ALA A 39 15.763 -0.576 1.337 1.00 0.92 C ATOM 0 H ALA A 39 12.959 -0.308 0.764 1.00 0.82 H new ATOM 0 HA ALA A 39 15.158 1.500 1.490 1.00 0.86 H new ATOM 0 HB1 ALA A 39 16.776 -0.344 1.007 1.00 0.92 H new ATOM 0 HB2 ALA A 39 15.760 -0.733 2.416 1.00 0.92 H new ATOM 0 HB3 ALA A 39 15.417 -1.481 0.838 1.00 0.92 H new ATOM 574 N LEU A 40 13.974 0.302 -1.312 1.00 0.70 N ATOM 575 CA LEU A 40 13.880 0.449 -2.752 1.00 0.69 C ATOM 576 C LEU A 40 12.441 0.880 -3.164 1.00 0.64 C ATOM 577 O LEU A 40 11.970 0.645 -4.273 1.00 0.74 O ATOM 578 CB LEU A 40 14.457 -0.892 -3.264 1.00 0.72 C ATOM 579 CG LEU A 40 14.155 -1.284 -4.700 1.00 0.74 C ATOM 580 CD1 LEU A 40 14.672 -0.269 -5.732 1.00 0.74 C ATOM 581 CD2 LEU A 40 14.720 -2.677 -5.009 1.00 0.82 C ATOM 0 H LEU A 40 13.263 -0.327 -0.939 1.00 0.70 H new ATOM 0 HA LEU A 40 14.447 1.256 -3.216 1.00 0.69 H new ATOM 0 HB2 LEU A 40 15.540 -0.859 -3.145 1.00 0.72 H new ATOM 0 HB3 LEU A 40 14.089 -1.686 -2.614 1.00 0.72 H new ATOM 0 HG LEU A 40 13.069 -1.297 -4.787 1.00 0.74 H new ATOM 0 HD11 LEU A 40 14.422 -0.612 -6.736 1.00 0.74 H new ATOM 0 HD12 LEU A 40 14.207 0.701 -5.553 1.00 0.74 H new ATOM 0 HD13 LEU A 40 15.754 -0.175 -5.640 1.00 0.74 H new ATOM 0 HD21 LEU A 40 14.494 -2.940 -6.042 1.00 0.82 H new ATOM 0 HD22 LEU A 40 15.800 -2.672 -4.864 1.00 0.82 H new ATOM 0 HD23 LEU A 40 14.268 -3.410 -4.340 1.00 0.82 H new ATOM 593 N GLU A 41 11.715 1.509 -2.233 1.00 0.60 N ATOM 594 CA GLU A 41 10.419 2.190 -2.402 1.00 0.59 C ATOM 595 C GLU A 41 9.223 1.310 -2.812 1.00 0.47 C ATOM 596 O GLU A 41 8.104 1.818 -2.764 1.00 0.46 O ATOM 597 CB GLU A 41 10.501 3.358 -3.409 1.00 0.80 C ATOM 598 CG GLU A 41 11.157 4.655 -2.914 1.00 1.01 C ATOM 599 CD GLU A 41 10.802 5.831 -3.843 1.00 1.34 C ATOM 600 OE1 GLU A 41 10.292 5.579 -4.961 1.00 2.73 O ATOM 601 OE2 GLU A 41 11.022 7.006 -3.478 1.00 1.61 O ATOM 0 H GLU A 41 12.040 1.561 -1.267 1.00 0.60 H new ATOM 0 HA GLU A 41 10.222 2.539 -1.388 1.00 0.59 H new ATOM 0 HB2 GLU A 41 11.050 3.013 -4.285 1.00 0.80 H new ATOM 0 HB3 GLU A 41 9.489 3.594 -3.739 1.00 0.80 H new ATOM 0 HG2 GLU A 41 10.824 4.873 -1.899 1.00 1.01 H new ATOM 0 HG3 GLU A 41 12.239 4.530 -2.875 1.00 1.01 H new ATOM 608 N GLN A 42 9.379 0.059 -3.272 1.00 0.48 N ATOM 609 CA GLN A 42 8.215 -0.639 -3.847 1.00 0.45 C ATOM 610 C GLN A 42 7.144 -0.963 -2.806 1.00 0.40 C ATOM 611 O GLN A 42 7.453 -1.211 -1.648 1.00 0.40 O ATOM 612 CB GLN A 42 8.512 -1.886 -4.700 1.00 0.50 C ATOM 613 CG GLN A 42 8.795 -3.223 -3.956 1.00 0.58 C ATOM 614 CD GLN A 42 10.251 -3.686 -3.940 1.00 0.48 C ATOM 615 OE1 GLN A 42 10.598 -4.730 -3.419 1.00 1.01 O ATOM 616 NE2 GLN A 42 11.202 -2.950 -4.466 1.00 0.80 N ATOM 0 H GLN A 42 10.251 -0.470 -3.261 1.00 0.48 H new ATOM 0 HA GLN A 42 7.833 0.104 -4.548 1.00 0.45 H new ATOM 0 HB2 GLN A 42 7.664 -2.046 -5.366 1.00 0.50 H new ATOM 0 HB3 GLN A 42 9.374 -1.664 -5.329 1.00 0.50 H new ATOM 0 HG2 GLN A 42 8.456 -3.121 -2.925 1.00 0.58 H new ATOM 0 HG3 GLN A 42 8.191 -4.006 -4.414 1.00 0.58 H new ATOM 0 HE21 GLN A 42 10.971 -2.064 -4.916 1.00 0.80 H new ATOM 0 HE22 GLN A 42 12.172 -3.264 -4.424 1.00 0.80 H new ATOM 625 N ALA A 43 5.912 -1.096 -3.283 1.00 0.42 N ATOM 626 CA ALA A 43 4.893 -1.975 -2.722 1.00 0.46 C ATOM 627 C ALA A 43 4.368 -2.909 -3.823 1.00 0.53 C ATOM 628 O ALA A 43 4.091 -2.459 -4.936 1.00 0.74 O ATOM 629 CB ALA A 43 3.780 -1.125 -2.090 1.00 0.48 C ATOM 0 H ALA A 43 5.584 -0.578 -4.098 1.00 0.42 H new ATOM 0 HA ALA A 43 5.312 -2.601 -1.934 1.00 0.46 H new ATOM 0 HB1 ALA A 43 3.017 -1.780 -1.670 1.00 0.48 H new ATOM 0 HB2 ALA A 43 4.201 -0.504 -1.299 1.00 0.48 H new ATOM 0 HB3 ALA A 43 3.332 -0.488 -2.852 1.00 0.48 H new ATOM 635 N VAL A 44 4.222 -4.201 -3.519 1.00 0.60 N ATOM 636 CA VAL A 44 3.452 -5.144 -4.344 1.00 0.63 C ATOM 637 C VAL A 44 2.216 -5.575 -3.582 1.00 0.65 C ATOM 638 O VAL A 44 2.320 -6.047 -2.450 1.00 0.63 O ATOM 639 CB VAL A 44 4.261 -6.362 -4.843 1.00 0.64 C ATOM 640 CG1 VAL A 44 4.843 -7.283 -3.766 1.00 0.72 C ATOM 641 CG2 VAL A 44 3.462 -7.202 -5.851 1.00 0.72 C ATOM 0 H VAL A 44 4.636 -4.628 -2.690 1.00 0.60 H new ATOM 0 HA VAL A 44 3.168 -4.614 -5.253 1.00 0.63 H new ATOM 0 HB VAL A 44 5.122 -5.896 -5.323 1.00 0.64 H new ATOM 0 HG11 VAL A 44 5.388 -8.099 -4.241 1.00 0.72 H new ATOM 0 HG12 VAL A 44 5.522 -6.715 -3.130 1.00 0.72 H new ATOM 0 HG13 VAL A 44 4.034 -7.691 -3.160 1.00 0.72 H new ATOM 0 HG21 VAL A 44 4.065 -8.049 -6.178 1.00 0.72 H new ATOM 0 HG22 VAL A 44 2.550 -7.567 -5.378 1.00 0.72 H new ATOM 0 HG23 VAL A 44 3.203 -6.587 -6.713 1.00 0.72 H new ATOM 651 N VAL A 45 1.048 -5.403 -4.196 1.00 0.79 N ATOM 652 CA VAL A 45 -0.213 -5.833 -3.591 1.00 0.78 C ATOM 653 C VAL A 45 -1.189 -6.307 -4.664 1.00 0.80 C ATOM 654 O VAL A 45 -1.537 -5.560 -5.582 1.00 0.80 O ATOM 655 CB VAL A 45 -0.882 -4.747 -2.712 1.00 0.84 C ATOM 656 CG1 VAL A 45 -1.985 -5.343 -1.826 1.00 0.98 C ATOM 657 CG2 VAL A 45 0.069 -3.929 -1.815 1.00 1.09 C ATOM 0 H VAL A 45 0.947 -4.968 -5.113 1.00 0.79 H new ATOM 0 HA VAL A 45 0.040 -6.660 -2.927 1.00 0.78 H new ATOM 0 HB VAL A 45 -1.292 -4.053 -3.446 1.00 0.84 H new ATOM 0 HG11 VAL A 45 -2.433 -4.554 -1.223 1.00 0.98 H new ATOM 0 HG12 VAL A 45 -2.750 -5.798 -2.455 1.00 0.98 H new ATOM 0 HG13 VAL A 45 -1.556 -6.101 -1.171 1.00 0.98 H new ATOM 0 HG21 VAL A 45 -0.506 -3.199 -1.245 1.00 1.09 H new ATOM 0 HG22 VAL A 45 0.588 -4.599 -1.129 1.00 1.09 H new ATOM 0 HG23 VAL A 45 0.799 -3.410 -2.436 1.00 1.09 H new ATOM 667 N SER A 46 -1.688 -7.531 -4.502 1.00 0.87 N ATOM 668 CA SER A 46 -2.954 -7.929 -5.114 1.00 0.90 C ATOM 669 C SER A 46 -4.046 -7.832 -4.041 1.00 0.84 C ATOM 670 O SER A 46 -4.044 -8.535 -3.029 1.00 0.84 O ATOM 671 CB SER A 46 -2.845 -9.279 -5.836 1.00 1.09 C ATOM 672 OG SER A 46 -4.093 -9.843 -6.184 1.00 1.83 O ATOM 0 H SER A 46 -1.236 -8.263 -3.953 1.00 0.87 H new ATOM 0 HA SER A 46 -3.235 -7.252 -5.921 1.00 0.90 H new ATOM 0 HB2 SER A 46 -2.251 -9.150 -6.740 1.00 1.09 H new ATOM 0 HB3 SER A 46 -2.306 -9.979 -5.198 1.00 1.09 H new ATOM 0 HG SER A 46 -3.997 -10.813 -6.283 1.00 1.83 H new ATOM 678 N TYR A 47 -4.949 -6.878 -4.265 1.00 0.95 N ATOM 679 CA TYR A 47 -6.113 -6.553 -3.436 1.00 1.07 C ATOM 680 C TYR A 47 -7.360 -6.243 -4.285 1.00 1.34 C ATOM 681 O TYR A 47 -8.366 -5.734 -3.799 1.00 1.59 O ATOM 682 CB TYR A 47 -5.794 -5.511 -2.333 1.00 1.01 C ATOM 683 CG TYR A 47 -5.089 -4.169 -2.571 1.00 0.88 C ATOM 684 CD1 TYR A 47 -4.277 -3.880 -3.690 1.00 1.41 C ATOM 685 CD2 TYR A 47 -5.093 -3.249 -1.502 1.00 1.64 C ATOM 686 CE1 TYR A 47 -3.437 -2.746 -3.695 1.00 1.41 C ATOM 687 CE2 TYR A 47 -4.233 -2.135 -1.481 1.00 1.94 C ATOM 688 CZ TYR A 47 -3.350 -1.917 -2.557 1.00 1.38 C ATOM 689 OH TYR A 47 -2.397 -0.946 -2.482 1.00 1.86 O ATOM 0 H TYR A 47 -4.884 -6.272 -5.083 1.00 0.95 H new ATOM 0 HA TYR A 47 -6.375 -7.451 -2.877 1.00 1.07 H new ATOM 0 HB2 TYR A 47 -6.748 -5.270 -1.864 1.00 1.01 H new ATOM 0 HB3 TYR A 47 -5.196 -6.036 -1.588 1.00 1.01 H new ATOM 0 HD1 TYR A 47 -4.299 -4.533 -4.550 1.00 1.41 H new ATOM 0 HD2 TYR A 47 -5.774 -3.403 -0.678 1.00 1.64 H new ATOM 0 HE1 TYR A 47 -2.857 -2.511 -4.575 1.00 1.41 H new ATOM 0 HE2 TYR A 47 -4.250 -1.451 -0.645 1.00 1.94 H new ATOM 0 HH TYR A 47 -2.482 -0.469 -1.630 1.00 1.86 H new ATOM 699 N HIS A 48 -7.311 -6.607 -5.567 1.00 1.72 N ATOM 700 CA HIS A 48 -8.305 -6.273 -6.583 1.00 2.00 C ATOM 701 C HIS A 48 -9.293 -7.442 -6.762 1.00 1.93 C ATOM 702 O HIS A 48 -9.321 -8.108 -7.802 1.00 2.53 O ATOM 703 CB HIS A 48 -7.548 -5.851 -7.855 1.00 2.28 C ATOM 704 CG HIS A 48 -6.574 -4.732 -7.587 1.00 2.19 C ATOM 705 ND1 HIS A 48 -6.918 -3.382 -7.503 1.00 2.12 N ATOM 706 CD2 HIS A 48 -5.290 -4.900 -7.152 1.00 2.06 C ATOM 707 CE1 HIS A 48 -5.842 -2.755 -7.001 1.00 1.90 C ATOM 708 NE2 HIS A 48 -4.837 -3.636 -6.824 1.00 1.94 N ATOM 0 H HIS A 48 -6.544 -7.167 -5.940 1.00 1.72 H new ATOM 0 HA HIS A 48 -8.933 -5.431 -6.292 1.00 2.00 H new ATOM 0 HB2 HIS A 48 -7.012 -6.709 -8.259 1.00 2.28 H new ATOM 0 HB3 HIS A 48 -8.263 -5.535 -8.615 1.00 2.28 H new ATOM 0 HD2 HIS A 48 -4.742 -5.828 -7.079 1.00 2.06 H new ATOM 0 HE1 HIS A 48 -5.789 -1.701 -6.773 1.00 1.90 H new ATOM 0 HE2 HIS A 48 -3.897 -3.407 -6.501 1.00 1.94 H new ATOM 716 N GLY A 49 -10.038 -7.731 -5.683 1.00 1.72 N ATOM 717 CA GLY A 49 -10.973 -8.864 -5.570 1.00 1.88 C ATOM 718 C GLY A 49 -12.446 -8.496 -5.778 1.00 1.67 C ATOM 719 O GLY A 49 -13.135 -9.201 -6.507 1.00 2.23 O ATOM 0 H GLY A 49 -10.005 -7.164 -4.836 1.00 1.72 H new ATOM 0 HA2 GLY A 49 -10.694 -9.623 -6.301 1.00 1.88 H new ATOM 0 HA3 GLY A 49 -10.860 -9.315 -4.584 1.00 1.88 H new ATOM 723 N GLU A 50 -12.898 -7.402 -5.159 1.00 2.13 N ATOM 724 CA GLU A 50 -14.261 -6.856 -5.243 1.00 2.54 C ATOM 725 C GLU A 50 -14.222 -5.422 -4.689 1.00 3.29 C ATOM 726 O GLU A 50 -13.933 -4.521 -5.476 1.00 3.81 O ATOM 727 CB GLU A 50 -15.299 -7.801 -4.591 1.00 2.73 C ATOM 728 CG GLU A 50 -16.769 -7.366 -4.765 1.00 3.10 C ATOM 729 CD GLU A 50 -17.191 -6.278 -3.778 1.00 3.97 C ATOM 730 OE1 GLU A 50 -16.897 -6.470 -2.577 1.00 4.50 O ATOM 731 OE2 GLU A 50 -17.708 -5.235 -4.229 1.00 4.89 O ATOM 0 H GLU A 50 -12.295 -6.843 -4.555 1.00 2.13 H new ATOM 0 HA GLU A 50 -14.607 -6.795 -6.275 1.00 2.54 H new ATOM 0 HB2 GLU A 50 -15.177 -8.798 -5.014 1.00 2.73 H new ATOM 0 HB3 GLU A 50 -15.081 -7.878 -3.526 1.00 2.73 H new ATOM 0 HG2 GLU A 50 -16.917 -7.003 -5.782 1.00 3.10 H new ATOM 0 HG3 GLU A 50 -17.416 -8.234 -4.639 1.00 3.10 H new ATOM 738 N THR A 51 -14.414 -5.224 -3.370 1.00 4.01 N ATOM 739 CA THR A 51 -14.509 -3.923 -2.674 1.00 5.01 C ATOM 740 C THR A 51 -13.605 -2.851 -3.273 1.00 4.04 C ATOM 741 O THR A 51 -12.381 -2.944 -3.128 1.00 4.28 O ATOM 742 CB THR A 51 -14.236 -4.047 -1.166 1.00 6.53 C ATOM 743 OG1 THR A 51 -12.937 -4.554 -0.972 1.00 7.69 O ATOM 744 CG2 THR A 51 -15.237 -4.932 -0.429 1.00 7.25 C ATOM 0 H THR A 51 -14.512 -6.009 -2.726 1.00 4.01 H new ATOM 0 HA THR A 51 -15.541 -3.604 -2.819 1.00 5.01 H new ATOM 0 HB THR A 51 -14.340 -3.046 -0.747 1.00 6.53 H new ATOM 0 HG1 THR A 51 -12.333 -4.171 -1.642 1.00 7.69 H new ATOM 0 HG21 THR A 51 -14.979 -4.970 0.629 1.00 7.25 H new ATOM 0 HG22 THR A 51 -16.240 -4.520 -0.543 1.00 7.25 H new ATOM 0 HG23 THR A 51 -15.209 -5.939 -0.846 1.00 7.25 H new ATOM 752 N THR A 52 -14.242 -1.858 -3.917 1.00 3.78 N ATOM 753 CA THR A 52 -13.698 -0.788 -4.780 1.00 3.23 C ATOM 754 C THR A 52 -12.210 -0.527 -4.530 1.00 2.15 C ATOM 755 O THR A 52 -11.871 0.322 -3.702 1.00 3.48 O ATOM 756 CB THR A 52 -14.537 0.488 -4.617 1.00 5.39 C ATOM 757 OG1 THR A 52 -15.893 0.150 -4.775 1.00 6.77 O ATOM 758 CG2 THR A 52 -14.215 1.542 -5.679 1.00 5.83 C ATOM 0 H THR A 52 -15.256 -1.774 -3.840 1.00 3.78 H new ATOM 0 HA THR A 52 -13.768 -1.124 -5.814 1.00 3.23 H new ATOM 0 HB THR A 52 -14.313 0.900 -3.633 1.00 5.39 H new ATOM 0 HG1 THR A 52 -16.445 0.954 -4.672 1.00 6.77 H new ATOM 0 HG21 THR A 52 -14.836 2.423 -5.517 1.00 5.83 H new ATOM 0 HG22 THR A 52 -13.164 1.821 -5.608 1.00 5.83 H new ATOM 0 HG23 THR A 52 -14.416 1.134 -6.669 1.00 5.83 H new ATOM 766 N PRO A 53 -11.287 -1.221 -5.226 1.00 1.48 N ATOM 767 CA PRO A 53 -9.896 -1.325 -4.793 1.00 2.90 C ATOM 768 C PRO A 53 -9.046 -0.096 -5.162 1.00 2.30 C ATOM 769 O PRO A 53 -7.821 -0.150 -5.119 1.00 2.27 O ATOM 770 CB PRO A 53 -9.403 -2.639 -5.392 1.00 4.74 C ATOM 771 CG PRO A 53 -10.159 -2.699 -6.717 1.00 4.61 C ATOM 772 CD PRO A 53 -11.530 -2.152 -6.319 1.00 2.70 C ATOM 0 HA PRO A 53 -9.806 -1.335 -3.707 1.00 2.90 H new ATOM 0 HB2 PRO A 53 -8.323 -2.638 -5.540 1.00 4.74 H new ATOM 0 HB3 PRO A 53 -9.636 -3.490 -4.752 1.00 4.74 H new ATOM 0 HG2 PRO A 53 -9.684 -2.091 -7.487 1.00 4.61 H new ATOM 0 HG3 PRO A 53 -10.221 -3.715 -7.107 1.00 4.61 H new ATOM 0 HD2 PRO A 53 -12.009 -1.651 -7.160 1.00 2.70 H new ATOM 0 HD3 PRO A 53 -12.196 -2.956 -6.006 1.00 2.70 H new ATOM 780 N GLN A 54 -9.687 1.050 -5.422 1.00 2.07 N ATOM 781 CA GLN A 54 -9.078 2.385 -5.373 1.00 1.65 C ATOM 782 C GLN A 54 -8.490 2.700 -3.983 1.00 1.37 C ATOM 783 O GLN A 54 -7.676 3.607 -3.849 1.00 1.25 O ATOM 784 CB GLN A 54 -10.157 3.386 -5.808 1.00 1.90 C ATOM 785 CG GLN A 54 -9.642 4.816 -6.042 1.00 2.58 C ATOM 786 CD GLN A 54 -10.679 5.689 -6.753 1.00 3.06 C ATOM 787 OE1 GLN A 54 -11.816 5.310 -6.973 1.00 3.16 O ATOM 788 NE2 GLN A 54 -10.334 6.887 -7.171 1.00 4.01 N ATOM 0 H GLN A 54 -10.674 1.075 -5.680 1.00 2.07 H new ATOM 0 HA GLN A 54 -8.226 2.446 -6.050 1.00 1.65 H new ATOM 0 HB2 GLN A 54 -10.620 3.025 -6.726 1.00 1.90 H new ATOM 0 HB3 GLN A 54 -10.937 3.414 -5.047 1.00 1.90 H new ATOM 0 HG2 GLN A 54 -9.381 5.269 -5.085 1.00 2.58 H new ATOM 0 HG3 GLN A 54 -8.729 4.780 -6.637 1.00 2.58 H new ATOM 0 HE21 GLN A 54 -9.390 7.234 -7.002 1.00 4.01 H new ATOM 0 HE22 GLN A 54 -11.011 7.470 -7.664 1.00 4.01 H new ATOM 797 N ILE A 55 -8.809 1.877 -2.978 1.00 1.50 N ATOM 798 CA ILE A 55 -8.062 1.675 -1.723 1.00 1.62 C ATOM 799 C ILE A 55 -6.535 1.601 -1.934 1.00 1.62 C ATOM 800 O ILE A 55 -5.793 1.983 -1.032 1.00 1.63 O ATOM 801 CB ILE A 55 -8.633 0.412 -1.018 1.00 2.14 C ATOM 802 CG1 ILE A 55 -10.119 0.635 -0.626 1.00 2.32 C ATOM 803 CG2 ILE A 55 -7.830 0.011 0.236 1.00 2.41 C ATOM 804 CD1 ILE A 55 -10.873 -0.648 -0.255 1.00 3.48 C ATOM 0 H ILE A 55 -9.647 1.296 -3.018 1.00 1.50 H new ATOM 0 HA ILE A 55 -8.201 2.544 -1.080 1.00 1.62 H new ATOM 0 HB ILE A 55 -8.552 -0.404 -1.736 1.00 2.14 H new ATOM 0 HG12 ILE A 55 -10.161 1.324 0.218 1.00 2.32 H new ATOM 0 HG13 ILE A 55 -10.633 1.117 -1.457 1.00 2.32 H new ATOM 0 HG21 ILE A 55 -8.276 -0.877 0.685 1.00 2.41 H new ATOM 0 HG22 ILE A 55 -6.799 -0.203 -0.045 1.00 2.41 H new ATOM 0 HG23 ILE A 55 -7.847 0.829 0.956 1.00 2.41 H new ATOM 0 HD11 ILE A 55 -11.903 -0.403 0.005 1.00 3.48 H new ATOM 0 HD12 ILE A 55 -10.867 -1.332 -1.104 1.00 3.48 H new ATOM 0 HD13 ILE A 55 -10.386 -1.122 0.597 1.00 3.48 H new ATOM 816 N LEU A 56 -6.038 1.195 -3.120 1.00 1.72 N ATOM 817 CA LEU A 56 -4.603 1.287 -3.449 1.00 1.87 C ATOM 818 C LEU A 56 -4.006 2.700 -3.337 1.00 1.66 C ATOM 819 O LEU A 56 -2.787 2.843 -3.265 1.00 2.05 O ATOM 820 CB LEU A 56 -4.244 0.576 -4.776 1.00 2.18 C ATOM 821 CG LEU A 56 -4.772 1.075 -6.142 1.00 1.83 C ATOM 822 CD1 LEU A 56 -4.778 2.593 -6.363 1.00 1.69 C ATOM 823 CD2 LEU A 56 -3.927 0.423 -7.250 1.00 3.17 C ATOM 0 H LEU A 56 -6.611 0.800 -3.866 1.00 1.72 H new ATOM 0 HA LEU A 56 -4.106 0.727 -2.657 1.00 1.87 H new ATOM 0 HB2 LEU A 56 -3.156 0.567 -4.844 1.00 2.18 H new ATOM 0 HB3 LEU A 56 -4.565 -0.461 -4.674 1.00 2.18 H new ATOM 0 HG LEU A 56 -5.823 0.787 -6.164 1.00 1.83 H new ATOM 0 HD11 LEU A 56 -5.170 2.815 -7.356 1.00 1.69 H new ATOM 0 HD12 LEU A 56 -5.408 3.068 -5.610 1.00 1.69 H new ATOM 0 HD13 LEU A 56 -3.761 2.977 -6.280 1.00 1.69 H new ATOM 0 HD21 LEU A 56 -4.281 0.760 -8.224 1.00 3.17 H new ATOM 0 HD22 LEU A 56 -2.882 0.707 -7.126 1.00 3.17 H new ATOM 0 HD23 LEU A 56 -4.018 -0.661 -7.187 1.00 3.17 H new ATOM 835 N THR A 57 -4.868 3.723 -3.314 1.00 1.16 N ATOM 836 CA THR A 57 -4.566 5.100 -2.872 1.00 1.03 C ATOM 837 C THR A 57 -4.894 5.282 -1.392 1.00 0.72 C ATOM 838 O THR A 57 -3.982 5.513 -0.600 1.00 0.68 O ATOM 839 CB THR A 57 -5.321 6.124 -3.729 1.00 1.19 C ATOM 840 OG1 THR A 57 -4.955 5.911 -5.068 1.00 1.59 O ATOM 841 CG2 THR A 57 -4.961 7.570 -3.380 1.00 2.10 C ATOM 0 H THR A 57 -5.837 3.615 -3.614 1.00 1.16 H new ATOM 0 HA THR A 57 -3.497 5.270 -3.003 1.00 1.03 H new ATOM 0 HB THR A 57 -6.387 5.988 -3.549 1.00 1.19 H new ATOM 0 HG1 THR A 57 -5.425 6.552 -5.641 1.00 1.59 H new ATOM 0 HG21 THR A 57 -5.526 8.250 -4.018 1.00 2.10 H new ATOM 0 HG22 THR A 57 -5.207 7.764 -2.336 1.00 2.10 H new ATOM 0 HG23 THR A 57 -3.894 7.727 -3.537 1.00 2.10 H new ATOM 849 N ASP A 58 -6.163 5.153 -0.998 1.00 0.66 N ATOM 850 CA ASP A 58 -6.638 5.514 0.354 1.00 0.69 C ATOM 851 C ASP A 58 -5.852 4.834 1.489 1.00 0.67 C ATOM 852 O ASP A 58 -5.514 5.468 2.484 1.00 0.78 O ATOM 853 CB ASP A 58 -8.140 5.212 0.480 1.00 0.80 C ATOM 854 CG ASP A 58 -8.684 5.518 1.886 1.00 1.31 C ATOM 855 OD1 ASP A 58 -8.467 6.654 2.360 1.00 1.96 O ATOM 856 OD2 ASP A 58 -9.279 4.588 2.479 1.00 2.69 O ATOM 0 H ASP A 58 -6.899 4.794 -1.606 1.00 0.66 H new ATOM 0 HA ASP A 58 -6.462 6.584 0.470 1.00 0.69 H new ATOM 0 HB2 ASP A 58 -8.689 5.801 -0.255 1.00 0.80 H new ATOM 0 HB3 ASP A 58 -8.318 4.163 0.245 1.00 0.80 H new ATOM 861 N ALA A 59 -5.448 3.573 1.325 1.00 0.66 N ATOM 862 CA ALA A 59 -4.662 2.878 2.346 1.00 0.70 C ATOM 863 C ALA A 59 -3.206 3.346 2.466 1.00 0.65 C ATOM 864 O ALA A 59 -2.542 2.932 3.413 1.00 0.83 O ATOM 865 CB ALA A 59 -4.783 1.366 2.141 1.00 0.83 C ATOM 0 H ALA A 59 -5.652 3.013 0.497 1.00 0.66 H new ATOM 0 HA ALA A 59 -5.090 3.145 3.312 1.00 0.70 H new ATOM 0 HB1 ALA A 59 -4.198 0.848 2.901 1.00 0.83 H new ATOM 0 HB2 ALA A 59 -5.829 1.070 2.224 1.00 0.83 H new ATOM 0 HB3 ALA A 59 -4.408 1.102 1.152 1.00 0.83 H new ATOM 871 N VAL A 60 -2.734 4.209 1.566 1.00 0.55 N ATOM 872 CA VAL A 60 -1.504 5.009 1.703 1.00 0.60 C ATOM 873 C VAL A 60 -1.836 6.411 2.236 1.00 0.67 C ATOM 874 O VAL A 60 -1.103 6.947 3.071 1.00 0.80 O ATOM 875 CB VAL A 60 -0.745 5.104 0.351 1.00 0.69 C ATOM 876 CG1 VAL A 60 0.726 5.486 0.570 1.00 1.93 C ATOM 877 CG2 VAL A 60 -0.786 3.800 -0.471 1.00 1.70 C ATOM 0 H VAL A 60 -3.214 4.381 0.683 1.00 0.55 H new ATOM 0 HA VAL A 60 -0.851 4.509 2.419 1.00 0.60 H new ATOM 0 HB VAL A 60 -1.266 5.878 -0.213 1.00 0.69 H new ATOM 0 HG11 VAL A 60 1.234 5.545 -0.393 1.00 1.93 H new ATOM 0 HG12 VAL A 60 0.780 6.453 1.069 1.00 1.93 H new ATOM 0 HG13 VAL A 60 1.210 4.731 1.189 1.00 1.93 H new ATOM 0 HG21 VAL A 60 -0.236 3.939 -1.402 1.00 1.70 H new ATOM 0 HG22 VAL A 60 -0.329 2.994 0.103 1.00 1.70 H new ATOM 0 HG23 VAL A 60 -1.821 3.544 -0.696 1.00 1.70 H new ATOM 887 N GLU A 61 -2.973 6.977 1.819 1.00 0.66 N ATOM 888 CA GLU A 61 -3.438 8.310 2.204 1.00 0.81 C ATOM 889 C GLU A 61 -3.879 8.357 3.679 1.00 1.03 C ATOM 890 O GLU A 61 -3.755 9.386 4.336 1.00 1.43 O ATOM 891 CB GLU A 61 -4.560 8.726 1.245 1.00 0.82 C ATOM 892 CG GLU A 61 -4.782 10.238 1.207 1.00 2.00 C ATOM 893 CD GLU A 61 -3.759 11.014 0.385 1.00 1.74 C ATOM 894 OE1 GLU A 61 -3.652 10.790 -0.841 1.00 1.71 O ATOM 895 OE2 GLU A 61 -3.071 11.889 0.961 1.00 2.95 O ATOM 0 H GLU A 61 -3.615 6.503 1.183 1.00 0.66 H new ATOM 0 HA GLU A 61 -2.618 9.023 2.123 1.00 0.81 H new ATOM 0 HB2 GLU A 61 -4.322 8.374 0.241 1.00 0.82 H new ATOM 0 HB3 GLU A 61 -5.486 8.235 1.544 1.00 0.82 H new ATOM 0 HG2 GLU A 61 -5.776 10.435 0.804 1.00 2.00 H new ATOM 0 HG3 GLU A 61 -4.771 10.619 2.228 1.00 2.00 H new ATOM 902 N ARG A 62 -4.227 7.206 4.268 1.00 0.87 N ATOM 903 CA ARG A 62 -4.384 7.007 5.715 1.00 0.98 C ATOM 904 C ARG A 62 -3.163 7.429 6.540 1.00 1.05 C ATOM 905 O ARG A 62 -3.282 7.555 7.764 1.00 1.22 O ATOM 906 CB ARG A 62 -4.796 5.553 5.999 1.00 0.96 C ATOM 907 CG ARG A 62 -3.673 4.509 5.845 1.00 1.23 C ATOM 908 CD ARG A 62 -2.578 4.409 6.926 1.00 0.89 C ATOM 909 NE ARG A 62 -3.043 4.821 8.263 1.00 1.53 N ATOM 910 CZ ARG A 62 -2.929 4.183 9.415 1.00 1.03 C ATOM 911 NH1 ARG A 62 -2.462 2.961 9.497 1.00 2.08 N ATOM 912 NH2 ARG A 62 -3.277 4.799 10.523 1.00 2.13 N ATOM 0 H ARG A 62 -4.413 6.358 3.732 1.00 0.87 H new ATOM 0 HA ARG A 62 -5.179 7.676 6.043 1.00 0.98 H new ATOM 0 HB2 ARG A 62 -5.187 5.495 7.015 1.00 0.96 H new ATOM 0 HB3 ARG A 62 -5.612 5.286 5.328 1.00 0.96 H new ATOM 0 HG2 ARG A 62 -4.145 3.530 5.767 1.00 1.23 H new ATOM 0 HG3 ARG A 62 -3.177 4.701 4.894 1.00 1.23 H new ATOM 0 HD2 ARG A 62 -2.217 3.382 6.975 1.00 0.89 H new ATOM 0 HD3 ARG A 62 -1.731 5.031 6.635 1.00 0.89 H new ATOM 0 HE ARG A 62 -3.518 5.723 8.305 1.00 1.53 H new ATOM 0 HH11 ARG A 62 -2.171 2.468 8.653 1.00 2.08 H new ATOM 0 HH12 ARG A 62 -2.390 2.503 10.405 1.00 2.08 H new ATOM 0 HH21 ARG A 62 -3.629 5.756 10.486 1.00 2.13 H new ATOM 0 HH22 ARG A 62 -3.195 4.320 11.420 1.00 2.13 H new ATOM 926 N ALA A 63 -1.976 7.530 5.932 1.00 1.02 N ATOM 927 CA ALA A 63 -0.780 8.093 6.570 1.00 1.37 C ATOM 928 C ALA A 63 -0.437 9.534 6.118 1.00 1.63 C ATOM 929 O ALA A 63 0.527 10.100 6.632 1.00 1.94 O ATOM 930 CB ALA A 63 0.376 7.109 6.344 1.00 1.43 C ATOM 0 H ALA A 63 -1.817 7.220 4.973 1.00 1.02 H new ATOM 0 HA ALA A 63 -0.975 8.208 7.636 1.00 1.37 H new ATOM 0 HB1 ALA A 63 1.282 7.499 6.807 1.00 1.43 H new ATOM 0 HB2 ALA A 63 0.127 6.146 6.790 1.00 1.43 H new ATOM 0 HB3 ALA A 63 0.542 6.982 5.274 1.00 1.43 H new ATOM 936 N GLY A 64 -1.191 10.110 5.174 1.00 1.60 N ATOM 937 CA GLY A 64 -0.925 11.386 4.499 1.00 1.93 C ATOM 938 C GLY A 64 -0.173 11.202 3.180 1.00 1.91 C ATOM 939 O GLY A 64 0.403 12.158 2.659 1.00 2.03 O ATOM 0 H GLY A 64 -2.051 9.674 4.842 1.00 1.60 H new ATOM 0 HA2 GLY A 64 -1.869 11.896 4.308 1.00 1.93 H new ATOM 0 HA3 GLY A 64 -0.343 12.029 5.159 1.00 1.93 H new ATOM 943 N TYR A 65 -0.081 9.965 2.678 1.00 1.73 N ATOM 944 CA TYR A 65 0.931 9.578 1.700 1.00 1.56 C ATOM 945 C TYR A 65 0.369 8.915 0.428 1.00 1.22 C ATOM 946 O TYR A 65 -0.800 8.557 0.333 1.00 1.39 O ATOM 947 CB TYR A 65 2.003 8.741 2.413 1.00 1.59 C ATOM 948 CG TYR A 65 2.916 9.546 3.336 1.00 2.12 C ATOM 949 CD1 TYR A 65 3.804 10.516 2.828 1.00 3.09 C ATOM 950 CD2 TYR A 65 2.882 9.324 4.723 1.00 2.72 C ATOM 951 CE1 TYR A 65 4.626 11.265 3.696 1.00 3.81 C ATOM 952 CE2 TYR A 65 3.677 10.078 5.604 1.00 3.20 C ATOM 953 CZ TYR A 65 4.552 11.060 5.094 1.00 3.51 C ATOM 954 OH TYR A 65 5.301 11.814 5.951 1.00 4.26 O ATOM 0 H TYR A 65 -0.709 9.206 2.942 1.00 1.73 H new ATOM 0 HA TYR A 65 1.391 10.484 1.306 1.00 1.56 H new ATOM 0 HB2 TYR A 65 1.511 7.962 2.996 1.00 1.59 H new ATOM 0 HB3 TYR A 65 2.615 8.240 1.663 1.00 1.59 H new ATOM 0 HD1 TYR A 65 3.856 10.688 1.763 1.00 3.09 H new ATOM 0 HD2 TYR A 65 2.232 8.559 5.120 1.00 2.72 H new ATOM 0 HE1 TYR A 65 5.312 11.995 3.293 1.00 3.81 H new ATOM 0 HE2 TYR A 65 3.618 9.906 6.669 1.00 3.20 H new ATOM 0 HH TYR A 65 5.122 11.536 6.873 1.00 4.26 H new ATOM 964 N HIS A 66 1.229 8.817 -0.590 1.00 0.97 N ATOM 965 CA HIS A 66 0.861 8.705 -2.009 1.00 0.75 C ATOM 966 C HIS A 66 1.580 7.549 -2.713 1.00 0.61 C ATOM 967 O HIS A 66 2.660 7.127 -2.311 1.00 0.76 O ATOM 968 CB HIS A 66 1.178 10.063 -2.680 1.00 0.78 C ATOM 969 CG HIS A 66 0.478 11.203 -1.987 1.00 0.84 C ATOM 970 ND1 HIS A 66 1.064 12.121 -1.127 1.00 2.12 N ATOM 971 CD2 HIS A 66 -0.872 11.279 -1.810 1.00 1.38 C ATOM 972 CE1 HIS A 66 0.082 12.712 -0.420 1.00 2.32 C ATOM 973 NE2 HIS A 66 -1.099 12.222 -0.834 1.00 1.45 N ATOM 0 H HIS A 66 2.239 8.813 -0.446 1.00 0.97 H new ATOM 0 HA HIS A 66 -0.201 8.476 -2.092 1.00 0.75 H new ATOM 0 HB2 HIS A 66 2.254 10.234 -2.665 1.00 0.78 H new ATOM 0 HB3 HIS A 66 0.875 10.032 -3.726 1.00 0.78 H new ATOM 0 HD2 HIS A 66 -1.622 10.707 -2.337 1.00 1.38 H new ATOM 0 HE1 HIS A 66 0.220 13.456 0.351 1.00 2.32 H new ATOM 0 HE2 HIS A 66 -2.014 12.503 -0.482 1.00 1.45 H new ATOM 982 N ALA A 67 1.029 7.070 -3.828 1.00 0.55 N ATOM 983 CA ALA A 67 1.686 6.074 -4.679 1.00 0.65 C ATOM 984 C ALA A 67 2.603 6.732 -5.731 1.00 0.80 C ATOM 985 O ALA A 67 2.234 7.734 -6.336 1.00 1.06 O ATOM 986 CB ALA A 67 0.610 5.217 -5.348 1.00 0.89 C ATOM 0 H ALA A 67 0.113 7.361 -4.169 1.00 0.55 H new ATOM 0 HA ALA A 67 2.327 5.446 -4.060 1.00 0.65 H new ATOM 0 HB1 ALA A 67 1.084 4.470 -5.985 1.00 0.89 H new ATOM 0 HB2 ALA A 67 0.016 4.717 -4.583 1.00 0.89 H new ATOM 0 HB3 ALA A 67 -0.037 5.852 -5.953 1.00 0.89 H new ATOM 992 N ARG A 68 3.769 6.127 -5.967 1.00 0.78 N ATOM 993 CA ARG A 68 4.731 6.456 -7.029 1.00 0.96 C ATOM 994 C ARG A 68 4.632 5.363 -8.094 1.00 0.69 C ATOM 995 O ARG A 68 4.540 4.180 -7.790 1.00 0.66 O ATOM 996 CB ARG A 68 6.138 6.498 -6.405 1.00 1.34 C ATOM 997 CG ARG A 68 7.376 6.622 -7.304 1.00 1.32 C ATOM 998 CD ARG A 68 7.669 8.037 -7.836 1.00 1.71 C ATOM 999 NE ARG A 68 7.872 9.051 -6.778 1.00 2.19 N ATOM 1000 CZ ARG A 68 8.835 9.118 -5.856 1.00 2.78 C ATOM 1001 NH1 ARG A 68 9.735 8.179 -5.675 1.00 3.21 N ATOM 1002 NH2 ARG A 68 8.890 10.154 -5.050 1.00 4.15 N ATOM 0 H ARG A 68 4.089 5.349 -5.390 1.00 0.78 H new ATOM 0 HA ARG A 68 4.524 7.423 -7.487 1.00 0.96 H new ATOM 0 HB2 ARG A 68 6.158 7.337 -5.709 1.00 1.34 H new ATOM 0 HB3 ARG A 68 6.257 5.590 -5.814 1.00 1.34 H new ATOM 0 HG2 ARG A 68 8.245 6.275 -6.745 1.00 1.32 H new ATOM 0 HG3 ARG A 68 7.255 5.951 -8.154 1.00 1.32 H new ATOM 0 HD2 ARG A 68 8.559 8.000 -8.464 1.00 1.71 H new ATOM 0 HD3 ARG A 68 6.842 8.352 -8.473 1.00 1.71 H new ATOM 0 HE ARG A 68 7.182 9.801 -6.749 1.00 2.19 H new ATOM 0 HH11 ARG A 68 9.722 7.341 -6.256 1.00 3.21 H new ATOM 0 HH12 ARG A 68 10.447 8.288 -4.953 1.00 3.21 H new ATOM 0 HH21 ARG A 68 8.200 10.900 -5.131 1.00 4.15 H new ATOM 0 HH22 ARG A 68 9.623 10.212 -4.343 1.00 4.15 H new ATOM 1016 N VAL A 69 4.666 5.726 -9.366 1.00 0.99 N ATOM 1017 CA VAL A 69 4.606 4.777 -10.475 1.00 0.92 C ATOM 1018 C VAL A 69 6.001 4.348 -10.900 1.00 1.02 C ATOM 1019 O VAL A 69 6.780 5.161 -11.393 1.00 1.32 O ATOM 1020 CB VAL A 69 3.825 5.374 -11.666 1.00 1.31 C ATOM 1021 CG1 VAL A 69 2.329 5.060 -11.521 1.00 1.53 C ATOM 1022 CG2 VAL A 69 4.023 6.886 -11.891 1.00 2.48 C ATOM 0 H VAL A 69 4.737 6.699 -9.665 1.00 0.99 H new ATOM 0 HA VAL A 69 4.073 3.890 -10.132 1.00 0.92 H new ATOM 0 HB VAL A 69 4.243 4.895 -12.551 1.00 1.31 H new ATOM 0 HG11 VAL A 69 1.785 5.484 -12.365 1.00 1.53 H new ATOM 0 HG12 VAL A 69 2.184 3.980 -11.502 1.00 1.53 H new ATOM 0 HG13 VAL A 69 1.955 5.493 -10.593 1.00 1.53 H new ATOM 0 HG21 VAL A 69 3.433 7.206 -12.750 1.00 2.48 H new ATOM 0 HG22 VAL A 69 3.699 7.431 -11.004 1.00 2.48 H new ATOM 0 HG23 VAL A 69 5.077 7.091 -12.078 1.00 2.48 H new ATOM 1032 N LEU A 70 6.280 3.046 -10.758 1.00 1.00 N ATOM 1033 CA LEU A 70 7.449 2.421 -11.360 1.00 1.21 C ATOM 1034 C LEU A 70 7.116 2.146 -12.831 1.00 1.20 C ATOM 1035 O LEU A 70 6.589 1.100 -13.195 1.00 1.65 O ATOM 1036 CB LEU A 70 7.928 1.253 -10.467 1.00 1.35 C ATOM 1037 CG LEU A 70 7.383 -0.184 -10.612 1.00 1.32 C ATOM 1038 CD1 LEU A 70 8.175 -1.022 -11.636 1.00 1.49 C ATOM 1039 CD2 LEU A 70 7.531 -0.916 -9.266 1.00 1.60 C ATOM 0 H LEU A 70 5.698 2.403 -10.222 1.00 1.00 H new ATOM 0 HA LEU A 70 8.337 3.052 -11.399 1.00 1.21 H new ATOM 0 HB2 LEU A 70 9.009 1.190 -10.591 1.00 1.35 H new ATOM 0 HB3 LEU A 70 7.743 1.553 -9.436 1.00 1.35 H new ATOM 0 HG LEU A 70 6.348 -0.089 -10.939 1.00 1.32 H new ATOM 0 HD11 LEU A 70 7.747 -2.023 -11.696 1.00 1.49 H new ATOM 0 HD12 LEU A 70 8.122 -0.545 -12.615 1.00 1.49 H new ATOM 0 HD13 LEU A 70 9.216 -1.091 -11.322 1.00 1.49 H new ATOM 0 HD21 LEU A 70 7.148 -1.932 -9.360 1.00 1.60 H new ATOM 0 HD22 LEU A 70 8.583 -0.950 -8.984 1.00 1.60 H new ATOM 0 HD23 LEU A 70 6.967 -0.385 -8.499 1.00 1.60 H new