USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 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 48 HIS : no HD1:sc= -0.464 K(o=-0.31,f=-5!) USER MOD Set 1.2: A 52 THR OG1 : rot 50:sc= 0.153 USER MOD Set 2.1: A 32 GLN : amide:sc= -1.83! K(o=-1.3!,f=0.43) USER MOD Set 2.2: A 46 SER OG : rot -43:sc= 0.493 USER MOD Single : A 3 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.6!) USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.9 USER MOD Single : A 6 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.00065) USER MOD Single : A 8 GLN : amide:sc= -0.075 K(o=-0.075,f=-1.9!) USER MOD Single : A 12 MET CE :methyl 156:sc= 0 (180deg=-0.246) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0818 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0769 USER MOD Single : A 19 SER OG : rot 79:sc= 0.0643 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0326) USER MOD Single : A 33 SER OG : rot 25:sc= 1.22 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.27 USER MOD Single : A 35 GLN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.0884 K(o=0.088,f=-4.9!) USER MOD Single : A 42 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.72) USER MOD Single : A 47 TYR OH : rot 174:sc= 1.19 USER MOD Single : A 51 THR OG1 : rot -30:sc= 0.542 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 57 THR OG1 : rot 106:sc= 1.22 USER MOD Single : A 65 TYR OH : rot 60:sc= 0.0292 USER MOD Single : A 66 HIS : no HE2:sc= 0.198 K(o=1.2,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 -4.225 -10.883 -8.432 1.00 1.66 N ATOM 31 CA GLN A 3 -4.654 -9.520 -8.751 1.00 1.25 C ATOM 32 C GLN A 3 -4.038 -8.523 -7.752 1.00 1.19 C ATOM 33 O GLN A 3 -4.253 -8.626 -6.539 1.00 1.83 O ATOM 34 CB GLN A 3 -6.195 -9.471 -8.766 1.00 1.77 C ATOM 35 CG GLN A 3 -6.777 -8.222 -9.452 1.00 1.69 C ATOM 36 CD GLN A 3 -6.669 -8.249 -10.974 1.00 2.81 C ATOM 37 OE1 GLN A 3 -5.767 -8.832 -11.548 1.00 3.28 O ATOM 38 NE2 GLN A 3 -7.571 -7.619 -11.694 1.00 4.01 N ATOM 0 HA GLN A 3 -4.300 -9.229 -9.740 1.00 1.25 H new ATOM 0 HB2 GLN A 3 -6.571 -10.359 -9.273 1.00 1.77 H new ATOM 0 HB3 GLN A 3 -6.559 -9.512 -7.739 1.00 1.77 H new ATOM 0 HG2 GLN A 3 -7.826 -8.121 -9.173 1.00 1.69 H new ATOM 0 HG3 GLN A 3 -6.261 -7.339 -9.076 1.00 1.69 H new ATOM 0 HE21 GLN A 3 -8.335 -7.124 -11.235 1.00 4.01 H new ATOM 0 HE22 GLN A 3 -7.506 -7.625 -12.712 1.00 4.01 H new ATOM 47 N THR A 4 -3.225 -7.584 -8.253 1.00 1.17 N ATOM 48 CA THR A 4 -2.239 -6.852 -7.446 1.00 1.14 C ATOM 49 C THR A 4 -1.834 -5.533 -8.080 1.00 1.27 C ATOM 50 O THR A 4 -1.889 -5.371 -9.295 1.00 1.63 O ATOM 51 CB THR A 4 -1.019 -7.764 -7.213 1.00 1.04 C ATOM 52 OG1 THR A 4 -0.100 -7.174 -6.330 1.00 1.10 O ATOM 53 CG2 THR A 4 -0.219 -8.062 -8.485 1.00 1.35 C ATOM 0 H THR A 4 -3.233 -7.309 -9.235 1.00 1.17 H new ATOM 0 HA THR A 4 -2.693 -6.592 -6.490 1.00 1.14 H new ATOM 0 HB THR A 4 -1.451 -8.683 -6.817 1.00 1.04 H new ATOM 0 HG1 THR A 4 -0.559 -6.508 -5.777 1.00 1.10 H new ATOM 0 HG21 THR A 4 0.624 -8.709 -8.242 1.00 1.35 H new ATOM 0 HG22 THR A 4 -0.862 -8.560 -9.211 1.00 1.35 H new ATOM 0 HG23 THR A 4 0.151 -7.129 -8.909 1.00 1.35 H new ATOM 61 N ILE A 5 -1.353 -4.618 -7.239 1.00 1.03 N ATOM 62 CA ILE A 5 -0.523 -3.482 -7.638 1.00 0.98 C ATOM 63 C ILE A 5 0.861 -3.662 -6.992 1.00 0.81 C ATOM 64 O ILE A 5 0.958 -3.751 -5.764 1.00 0.82 O ATOM 65 CB ILE A 5 -1.165 -2.143 -7.197 1.00 1.13 C ATOM 66 CG1 ILE A 5 -2.669 -1.994 -7.532 1.00 1.52 C ATOM 67 CG2 ILE A 5 -0.371 -0.971 -7.800 1.00 1.08 C ATOM 68 CD1 ILE A 5 -3.026 -1.981 -9.024 1.00 1.57 C ATOM 0 H ILE A 5 -1.534 -4.647 -6.236 1.00 1.03 H new ATOM 0 HA ILE A 5 -0.432 -3.449 -8.724 1.00 0.98 H new ATOM 0 HB ILE A 5 -1.115 -2.135 -6.108 1.00 1.13 H new ATOM 0 HG12 ILE A 5 -3.210 -2.812 -7.056 1.00 1.52 H new ATOM 0 HG13 ILE A 5 -3.031 -1.069 -7.084 1.00 1.52 H new ATOM 0 HG21 ILE A 5 -0.822 -0.028 -7.490 1.00 1.08 H new ATOM 0 HG22 ILE A 5 0.660 -1.012 -7.450 1.00 1.08 H new ATOM 0 HG23 ILE A 5 -0.388 -1.041 -8.888 1.00 1.08 H new ATOM 0 HD11 ILE A 5 -4.104 -1.872 -9.139 1.00 1.57 H new ATOM 0 HD12 ILE A 5 -2.523 -1.146 -9.511 1.00 1.57 H new ATOM 0 HD13 ILE A 5 -2.705 -2.916 -9.483 1.00 1.57 H new ATOM 80 N ASN A 6 1.911 -3.687 -7.818 1.00 0.84 N ATOM 81 CA ASN A 6 3.285 -3.393 -7.414 1.00 0.71 C ATOM 82 C ASN A 6 3.671 -2.012 -7.974 1.00 0.61 C ATOM 83 O ASN A 6 3.348 -1.695 -9.122 1.00 0.85 O ATOM 84 CB ASN A 6 4.254 -4.499 -7.871 1.00 0.82 C ATOM 85 CG ASN A 6 4.472 -4.538 -9.378 1.00 0.99 C ATOM 86 OD1 ASN A 6 5.457 -4.035 -9.894 1.00 1.97 O ATOM 87 ND2 ASN A 6 3.552 -5.119 -10.124 1.00 1.24 N ATOM 0 H ASN A 6 1.825 -3.918 -8.808 1.00 0.84 H new ATOM 0 HA ASN A 6 3.354 -3.367 -6.327 1.00 0.71 H new ATOM 0 HB2 ASN A 6 5.215 -4.354 -7.377 1.00 0.82 H new ATOM 0 HB3 ASN A 6 3.869 -5.465 -7.543 1.00 0.82 H new ATOM 0 HD21 ASN A 6 3.662 -5.150 -11.138 1.00 1.24 H new ATOM 0 HD22 ASN A 6 2.731 -5.538 -9.687 1.00 1.24 H new ATOM 94 N LEU A 7 4.299 -1.173 -7.152 1.00 0.50 N ATOM 95 CA LEU A 7 4.573 0.230 -7.453 1.00 0.43 C ATOM 96 C LEU A 7 5.645 0.796 -6.511 1.00 0.39 C ATOM 97 O LEU A 7 6.161 0.088 -5.654 1.00 0.45 O ATOM 98 CB LEU A 7 3.254 1.032 -7.472 1.00 0.46 C ATOM 99 CG LEU A 7 2.681 1.459 -6.108 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.406 2.269 -6.340 1.00 0.60 C ATOM 101 CD2 LEU A 7 2.406 0.322 -5.115 1.00 0.59 C ATOM 0 H LEU A 7 4.640 -1.458 -6.234 1.00 0.50 H new ATOM 0 HA LEU A 7 4.998 0.319 -8.453 1.00 0.43 H new ATOM 0 HB2 LEU A 7 3.411 1.929 -8.071 1.00 0.46 H new ATOM 0 HB3 LEU A 7 2.500 0.434 -7.985 1.00 0.46 H new ATOM 0 HG LEU A 7 3.462 2.053 -5.633 1.00 0.51 H new ATOM 0 HD11 LEU A 7 0.991 2.577 -5.380 1.00 0.60 H new ATOM 0 HD12 LEU A 7 1.639 3.152 -6.935 1.00 0.60 H new ATOM 0 HD13 LEU A 7 0.677 1.656 -6.871 1.00 0.60 H new ATOM 0 HD21 LEU A 7 2.005 0.736 -4.190 1.00 0.59 H new ATOM 0 HD22 LEU A 7 1.683 -0.370 -5.546 1.00 0.59 H new ATOM 0 HD23 LEU A 7 3.334 -0.208 -4.903 1.00 0.59 H new ATOM 113 N GLN A 8 5.988 2.072 -6.650 1.00 0.36 N ATOM 114 CA GLN A 8 6.730 2.820 -5.641 1.00 0.35 C ATOM 115 C GLN A 8 5.802 3.738 -4.844 1.00 0.37 C ATOM 116 O GLN A 8 4.689 4.068 -5.257 1.00 0.46 O ATOM 117 CB GLN A 8 7.862 3.620 -6.293 1.00 0.40 C ATOM 118 CG GLN A 8 9.165 2.820 -6.395 1.00 0.52 C ATOM 119 CD GLN A 8 10.280 3.667 -7.009 1.00 0.81 C ATOM 120 OE1 GLN A 8 10.053 4.537 -7.848 1.00 1.70 O ATOM 121 NE2 GLN A 8 11.497 3.508 -6.546 1.00 1.29 N ATOM 0 H GLN A 8 5.756 2.623 -7.477 1.00 0.36 H new ATOM 0 HA GLN A 8 7.170 2.107 -4.944 1.00 0.35 H new ATOM 0 HB2 GLN A 8 7.553 3.933 -7.290 1.00 0.40 H new ATOM 0 HB3 GLN A 8 8.041 4.527 -5.715 1.00 0.40 H new ATOM 0 HG2 GLN A 8 9.466 2.479 -5.404 1.00 0.52 H new ATOM 0 HG3 GLN A 8 9.003 1.930 -7.003 1.00 0.52 H new ATOM 0 HE21 GLN A 8 11.688 2.787 -5.850 1.00 1.29 H new ATOM 0 HE22 GLN A 8 12.253 4.105 -6.882 1.00 1.29 H new ATOM 130 N LEU A 9 6.277 4.156 -3.675 1.00 0.38 N ATOM 131 CA LEU A 9 5.505 4.949 -2.734 1.00 0.47 C ATOM 132 C LEU A 9 6.128 6.349 -2.592 1.00 0.73 C ATOM 133 O LEU A 9 7.325 6.511 -2.376 1.00 1.06 O ATOM 134 CB LEU A 9 5.381 4.126 -1.434 1.00 0.54 C ATOM 135 CG LEU A 9 3.947 3.662 -1.135 1.00 0.95 C ATOM 136 CD1 LEU A 9 3.413 2.732 -2.237 1.00 2.19 C ATOM 137 CD2 LEU A 9 3.957 2.935 0.219 1.00 1.77 C ATOM 0 H LEU A 9 7.223 3.949 -3.353 1.00 0.38 H new ATOM 0 HA LEU A 9 4.489 5.150 -3.074 1.00 0.47 H new ATOM 0 HB2 LEU A 9 6.030 3.253 -1.503 1.00 0.54 H new ATOM 0 HB3 LEU A 9 5.742 4.726 -0.598 1.00 0.54 H new ATOM 0 HG LEU A 9 3.286 4.528 -1.101 1.00 0.95 H new ATOM 0 HD11 LEU A 9 2.397 2.424 -1.992 1.00 2.19 H new ATOM 0 HD12 LEU A 9 3.412 3.261 -3.190 1.00 2.19 H new ATOM 0 HD13 LEU A 9 4.051 1.852 -2.311 1.00 2.19 H new ATOM 0 HD21 LEU A 9 2.949 2.594 0.456 1.00 1.77 H new ATOM 0 HD22 LEU A 9 4.627 2.077 0.166 1.00 1.77 H new ATOM 0 HD23 LEU A 9 4.302 3.617 0.996 1.00 1.77 H new ATOM 149 N GLU A 10 5.305 7.373 -2.791 1.00 0.81 N ATOM 150 CA GLU A 10 5.618 8.799 -2.659 1.00 0.98 C ATOM 151 C GLU A 10 5.473 9.200 -1.191 1.00 0.79 C ATOM 152 O GLU A 10 4.732 8.556 -0.453 1.00 0.78 O ATOM 153 CB GLU A 10 4.651 9.568 -3.579 1.00 1.30 C ATOM 154 CG GLU A 10 4.787 11.097 -3.632 1.00 2.16 C ATOM 155 CD GLU A 10 4.136 11.833 -2.456 1.00 3.59 C ATOM 156 OE1 GLU A 10 2.981 11.492 -2.105 1.00 4.80 O ATOM 157 OE2 GLU A 10 4.810 12.730 -1.917 1.00 4.42 O ATOM 0 H GLU A 10 4.335 7.223 -3.068 1.00 0.81 H new ATOM 0 HA GLU A 10 6.641 9.030 -2.957 1.00 0.98 H new ATOM 0 HB2 GLU A 10 4.774 9.184 -4.592 1.00 1.30 H new ATOM 0 HB3 GLU A 10 3.633 9.331 -3.270 1.00 1.30 H new ATOM 0 HG2 GLU A 10 5.846 11.354 -3.664 1.00 2.16 H new ATOM 0 HG3 GLU A 10 4.343 11.457 -4.560 1.00 2.16 H new ATOM 164 N GLY A 11 6.182 10.237 -0.747 1.00 1.33 N ATOM 165 CA GLY A 11 6.011 10.819 0.588 1.00 1.56 C ATOM 166 C GLY A 11 6.700 10.066 1.729 1.00 1.44 C ATOM 167 O GLY A 11 6.889 10.674 2.780 1.00 1.75 O ATOM 0 H GLY A 11 6.897 10.702 -1.306 1.00 1.33 H new ATOM 0 HA2 GLY A 11 6.389 11.841 0.571 1.00 1.56 H new ATOM 0 HA3 GLY A 11 4.945 10.877 0.806 1.00 1.56 H new ATOM 171 N MET A 12 7.089 8.790 1.537 1.00 1.24 N ATOM 172 CA MET A 12 7.779 7.923 2.521 1.00 1.19 C ATOM 173 C MET A 12 8.691 8.682 3.507 1.00 1.26 C ATOM 174 O MET A 12 9.601 9.408 3.110 1.00 2.11 O ATOM 175 CB MET A 12 8.630 6.852 1.812 1.00 1.59 C ATOM 176 CG MET A 12 7.865 5.584 1.424 1.00 1.85 C ATOM 177 SD MET A 12 9.014 4.250 0.973 1.00 2.59 S ATOM 178 CE MET A 12 7.955 2.784 1.049 1.00 4.02 C ATOM 0 H MET A 12 6.925 8.311 0.652 1.00 1.24 H new ATOM 0 HA MET A 12 6.973 7.469 3.098 1.00 1.19 H new ATOM 0 HB2 MET A 12 9.064 7.288 0.912 1.00 1.59 H new ATOM 0 HB3 MET A 12 9.459 6.575 2.464 1.00 1.59 H new ATOM 0 HG2 MET A 12 7.237 5.264 2.256 1.00 1.85 H new ATOM 0 HG3 MET A 12 7.201 5.797 0.586 1.00 1.85 H new ATOM 0 HE1 MET A 12 8.371 2.001 0.414 1.00 4.02 H new ATOM 0 HE2 MET A 12 7.901 2.427 2.077 1.00 4.02 H new ATOM 0 HE3 MET A 12 6.954 3.040 0.701 1.00 4.02 H new ATOM 188 N ARG A 13 8.469 8.495 4.821 1.00 1.36 N ATOM 189 CA ARG A 13 9.153 9.299 5.859 1.00 1.89 C ATOM 190 C ARG A 13 9.214 8.713 7.280 1.00 1.98 C ATOM 191 O ARG A 13 9.718 9.372 8.185 1.00 2.74 O ATOM 192 CB ARG A 13 8.569 10.731 5.869 1.00 2.60 C ATOM 193 CG ARG A 13 9.678 11.788 5.915 1.00 3.09 C ATOM 194 CD ARG A 13 9.135 13.173 5.538 1.00 4.10 C ATOM 195 NE ARG A 13 10.225 14.161 5.428 1.00 4.76 N ATOM 196 CZ ARG A 13 11.085 14.267 4.418 1.00 4.89 C ATOM 197 NH1 ARG A 13 11.018 13.492 3.354 1.00 4.71 N ATOM 198 NH2 ARG A 13 12.049 15.163 4.481 1.00 6.02 N ATOM 0 H ARG A 13 7.824 7.797 5.192 1.00 1.36 H new ATOM 0 HA ARG A 13 10.201 9.296 5.559 1.00 1.89 H new ATOM 0 HB2 ARG A 13 7.957 10.882 4.980 1.00 2.60 H new ATOM 0 HB3 ARG A 13 7.913 10.852 6.731 1.00 2.60 H new ATOM 0 HG2 ARG A 13 10.110 11.823 6.915 1.00 3.09 H new ATOM 0 HG3 ARG A 13 10.479 11.509 5.231 1.00 3.09 H new ATOM 0 HD2 ARG A 13 8.600 13.111 4.591 1.00 4.10 H new ATOM 0 HD3 ARG A 13 8.417 13.502 6.289 1.00 4.10 H new ATOM 0 HE ARG A 13 10.329 14.824 6.196 1.00 4.76 H new ATOM 0 HH11 ARG A 13 10.289 12.782 3.285 1.00 4.71 H new ATOM 0 HH12 ARG A 13 11.695 13.602 2.599 1.00 4.71 H new ATOM 0 HH21 ARG A 13 12.131 15.767 5.299 1.00 6.02 H new ATOM 0 HH22 ARG A 13 12.713 15.252 3.712 1.00 6.02 H new ATOM 212 N CYS A 14 8.731 7.488 7.497 1.00 2.06 N ATOM 213 CA CYS A 14 8.792 6.778 8.779 1.00 2.44 C ATOM 214 C CYS A 14 8.435 5.300 8.584 1.00 2.69 C ATOM 215 O CYS A 14 7.380 4.993 8.029 1.00 3.62 O ATOM 216 CB CYS A 14 7.832 7.437 9.785 1.00 3.67 C ATOM 217 SG CYS A 14 8.011 6.620 11.395 1.00 5.15 S ATOM 0 H CYS A 14 8.273 6.945 6.765 1.00 2.06 H new ATOM 0 HA CYS A 14 9.807 6.837 9.172 1.00 2.44 H new ATOM 0 HB2 CYS A 14 8.054 8.500 9.876 1.00 3.67 H new ATOM 0 HB3 CYS A 14 6.804 7.355 9.433 1.00 3.67 H new ATOM 0 HG CYS A 14 7.205 7.171 12.253 1.00 5.15 H new ATOM 223 N ALA A 15 9.281 4.393 9.077 1.00 2.84 N ATOM 224 CA ALA A 15 9.029 2.953 9.011 1.00 3.97 C ATOM 225 C ALA A 15 7.731 2.540 9.733 1.00 2.95 C ATOM 226 O ALA A 15 7.053 1.627 9.270 1.00 3.76 O ATOM 227 CB ALA A 15 10.254 2.222 9.575 1.00 5.80 C ATOM 0 H ALA A 15 10.160 4.637 9.533 1.00 2.84 H new ATOM 0 HA ALA A 15 8.877 2.670 7.970 1.00 3.97 H new ATOM 0 HB1 ALA A 15 10.086 1.146 9.535 1.00 5.80 H new ATOM 0 HB2 ALA A 15 11.133 2.474 8.982 1.00 5.80 H new ATOM 0 HB3 ALA A 15 10.415 2.526 10.609 1.00 5.80 H new ATOM 233 N ALA A 16 7.348 3.229 10.818 1.00 1.74 N ATOM 234 CA ALA A 16 6.128 2.923 11.570 1.00 1.23 C ATOM 235 C ALA A 16 4.860 3.225 10.750 1.00 1.01 C ATOM 236 O ALA A 16 4.060 2.322 10.503 1.00 1.20 O ATOM 237 CB ALA A 16 6.164 3.679 12.907 1.00 1.56 C ATOM 0 H ALA A 16 7.878 4.014 11.197 1.00 1.74 H new ATOM 0 HA ALA A 16 6.089 1.854 11.779 1.00 1.23 H new ATOM 0 HB1 ALA A 16 5.260 3.458 13.474 1.00 1.56 H new ATOM 0 HB2 ALA A 16 7.037 3.365 13.479 1.00 1.56 H new ATOM 0 HB3 ALA A 16 6.220 4.751 12.717 1.00 1.56 H new ATOM 243 N CYS A 17 4.697 4.465 10.269 1.00 0.91 N ATOM 244 CA CYS A 17 3.635 4.884 9.358 1.00 0.92 C ATOM 245 C CYS A 17 3.571 4.009 8.101 1.00 0.82 C ATOM 246 O CYS A 17 2.466 3.647 7.705 1.00 0.83 O ATOM 247 CB CYS A 17 3.860 6.360 8.990 1.00 1.23 C ATOM 248 SG CYS A 17 3.968 7.373 10.496 1.00 2.04 S ATOM 0 H CYS A 17 5.327 5.228 10.516 1.00 0.91 H new ATOM 0 HA CYS A 17 2.675 4.766 9.861 1.00 0.92 H new ATOM 0 HB2 CYS A 17 4.776 6.462 8.408 1.00 1.23 H new ATOM 0 HB3 CYS A 17 3.043 6.715 8.362 1.00 1.23 H new ATOM 0 HG CYS A 17 4.160 8.617 10.170 1.00 2.04 H new ATOM 254 N ALA A 18 4.718 3.618 7.531 1.00 0.85 N ATOM 255 CA ALA A 18 4.786 2.703 6.391 1.00 0.86 C ATOM 256 C ALA A 18 4.232 1.308 6.726 1.00 0.79 C ATOM 257 O ALA A 18 3.255 0.879 6.122 1.00 0.78 O ATOM 258 CB ALA A 18 6.232 2.653 5.883 1.00 1.00 C ATOM 0 H ALA A 18 5.633 3.933 7.854 1.00 0.85 H new ATOM 0 HA ALA A 18 4.144 3.079 5.594 1.00 0.86 H new ATOM 0 HB1 ALA A 18 6.296 1.974 5.033 1.00 1.00 H new ATOM 0 HB2 ALA A 18 6.544 3.651 5.575 1.00 1.00 H new ATOM 0 HB3 ALA A 18 6.886 2.299 6.680 1.00 1.00 H new ATOM 264 N SER A 19 4.774 0.610 7.725 1.00 0.83 N ATOM 265 CA SER A 19 4.258 -0.720 8.117 1.00 0.86 C ATOM 266 C SER A 19 2.786 -0.682 8.576 1.00 0.66 C ATOM 267 O SER A 19 2.034 -1.644 8.398 1.00 0.66 O ATOM 268 CB SER A 19 5.127 -1.293 9.243 1.00 1.19 C ATOM 269 OG SER A 19 6.461 -1.454 8.800 1.00 2.41 O ATOM 0 H SER A 19 5.566 0.934 8.280 1.00 0.83 H new ATOM 0 HA SER A 19 4.303 -1.355 7.232 1.00 0.86 H new ATOM 0 HB2 SER A 19 5.101 -0.628 10.106 1.00 1.19 H new ATOM 0 HB3 SER A 19 4.726 -2.253 9.568 1.00 1.19 H new ATOM 0 HG SER A 19 6.920 -0.589 8.823 1.00 2.41 H new ATOM 275 N SER A 20 2.326 0.455 9.106 1.00 0.63 N ATOM 276 CA SER A 20 0.920 0.662 9.459 1.00 0.63 C ATOM 277 C SER A 20 -0.040 0.671 8.246 1.00 0.57 C ATOM 278 O SER A 20 -1.257 0.589 8.439 1.00 0.64 O ATOM 279 CB SER A 20 0.764 1.925 10.319 1.00 0.75 C ATOM 280 OG SER A 20 -0.307 1.806 11.250 1.00 1.19 O ATOM 0 H SER A 20 2.921 1.260 9.303 1.00 0.63 H new ATOM 0 HA SER A 20 0.619 -0.205 10.047 1.00 0.63 H new ATOM 0 HB2 SER A 20 1.693 2.115 10.857 1.00 0.75 H new ATOM 0 HB3 SER A 20 0.589 2.785 9.672 1.00 0.75 H new ATOM 0 HG SER A 20 -0.373 2.628 11.779 1.00 1.19 H new ATOM 286 N ILE A 21 0.473 0.771 7.010 1.00 0.52 N ATOM 287 CA ILE A 21 -0.257 0.546 5.740 1.00 0.50 C ATOM 288 C ILE A 21 -0.495 -0.948 5.512 1.00 0.49 C ATOM 289 O ILE A 21 -1.634 -1.365 5.324 1.00 0.56 O ATOM 290 CB ILE A 21 0.529 1.129 4.532 1.00 0.56 C ATOM 291 CG1 ILE A 21 0.785 2.643 4.698 1.00 0.59 C ATOM 292 CG2 ILE A 21 -0.176 0.822 3.196 1.00 0.61 C ATOM 293 CD1 ILE A 21 1.913 3.160 3.801 1.00 0.78 C ATOM 0 H ILE A 21 1.450 1.021 6.855 1.00 0.52 H new ATOM 0 HA ILE A 21 -1.216 1.058 5.819 1.00 0.50 H new ATOM 0 HB ILE A 21 1.500 0.634 4.510 1.00 0.56 H new ATOM 0 HG12 ILE A 21 -0.131 3.188 4.471 1.00 0.59 H new ATOM 0 HG13 ILE A 21 1.031 2.852 5.739 1.00 0.59 H new ATOM 0 HG21 ILE A 21 0.402 1.245 2.374 1.00 0.61 H new ATOM 0 HG22 ILE A 21 -0.256 -0.257 3.066 1.00 0.61 H new ATOM 0 HG23 ILE A 21 -1.174 1.261 3.202 1.00 0.61 H new ATOM 0 HD11 ILE A 21 2.045 4.230 3.963 1.00 0.78 H new ATOM 0 HD12 ILE A 21 2.839 2.639 4.044 1.00 0.78 H new ATOM 0 HD13 ILE A 21 1.659 2.980 2.756 1.00 0.78 H new ATOM 305 N GLU A 22 0.562 -1.758 5.582 1.00 0.51 N ATOM 306 CA GLU A 22 0.538 -3.178 5.214 1.00 0.60 C ATOM 307 C GLU A 22 -0.500 -3.898 6.088 1.00 0.65 C ATOM 308 O GLU A 22 -1.375 -4.619 5.604 1.00 0.76 O ATOM 309 CB GLU A 22 1.952 -3.766 5.419 1.00 0.70 C ATOM 310 CG GLU A 22 3.031 -3.164 4.498 1.00 0.81 C ATOM 311 CD GLU A 22 3.470 -4.124 3.388 1.00 1.47 C ATOM 312 OE1 GLU A 22 2.750 -4.225 2.373 1.00 3.00 O ATOM 313 OE2 GLU A 22 4.547 -4.745 3.541 1.00 1.90 O ATOM 0 H GLU A 22 1.477 -1.441 5.902 1.00 0.51 H new ATOM 0 HA GLU A 22 0.257 -3.308 4.169 1.00 0.60 H new ATOM 0 HB2 GLU A 22 2.250 -3.612 6.456 1.00 0.70 H new ATOM 0 HB3 GLU A 22 1.912 -4.843 5.256 1.00 0.70 H new ATOM 0 HG2 GLU A 22 2.648 -2.248 4.049 1.00 0.81 H new ATOM 0 HG3 GLU A 22 3.899 -2.887 5.096 1.00 0.81 H new ATOM 320 N ARG A 23 -0.460 -3.590 7.391 1.00 0.65 N ATOM 321 CA ARG A 23 -1.344 -4.117 8.432 1.00 0.78 C ATOM 322 C ARG A 23 -2.764 -3.535 8.477 1.00 0.74 C ATOM 323 O ARG A 23 -3.610 -3.977 9.260 1.00 0.78 O ATOM 324 CB ARG A 23 -0.621 -3.937 9.760 1.00 0.99 C ATOM 325 CG ARG A 23 -0.628 -2.538 10.408 1.00 2.05 C ATOM 326 CD ARG A 23 -1.684 -2.411 11.519 1.00 3.05 C ATOM 327 NE ARG A 23 -1.453 -1.232 12.387 1.00 4.82 N ATOM 328 CZ ARG A 23 -1.663 -1.168 13.703 1.00 5.48 C ATOM 329 NH1 ARG A 23 -2.122 -2.188 14.402 1.00 5.00 N ATOM 330 NH2 ARG A 23 -1.403 -0.050 14.348 1.00 7.25 N ATOM 0 H ARG A 23 0.226 -2.933 7.764 1.00 0.65 H new ATOM 0 HA ARG A 23 -1.532 -5.165 8.199 1.00 0.78 H new ATOM 0 HB2 ARG A 23 -1.056 -4.637 10.474 1.00 0.99 H new ATOM 0 HB3 ARG A 23 0.418 -4.233 9.616 1.00 0.99 H new ATOM 0 HG2 ARG A 23 0.358 -2.328 10.822 1.00 2.05 H new ATOM 0 HG3 ARG A 23 -0.819 -1.787 9.642 1.00 2.05 H new ATOM 0 HD2 ARG A 23 -2.674 -2.339 11.069 1.00 3.05 H new ATOM 0 HD3 ARG A 23 -1.676 -3.315 12.129 1.00 3.05 H new ATOM 0 HE ARG A 23 -1.100 -0.389 11.935 1.00 4.82 H new ATOM 0 HH11 ARG A 23 -2.332 -3.072 13.937 1.00 5.00 H new ATOM 0 HH12 ARG A 23 -2.267 -2.093 15.407 1.00 5.00 H new ATOM 0 HH21 ARG A 23 -1.044 0.759 13.842 1.00 7.25 H new ATOM 0 HH22 ARG A 23 -1.561 0.007 15.354 1.00 7.25 H new ATOM 344 N ALA A 24 -2.992 -2.470 7.719 1.00 0.72 N ATOM 345 CA ALA A 24 -4.305 -1.874 7.448 1.00 0.71 C ATOM 346 C ALA A 24 -4.942 -2.440 6.170 1.00 0.63 C ATOM 347 O ALA A 24 -6.115 -2.805 6.201 1.00 0.69 O ATOM 348 CB ALA A 24 -4.173 -0.348 7.384 1.00 0.76 C ATOM 0 H ALA A 24 -2.235 -1.971 7.252 1.00 0.72 H new ATOM 0 HA ALA A 24 -4.977 -2.136 8.265 1.00 0.71 H new ATOM 0 HB1 ALA A 24 -5.149 0.094 7.183 1.00 0.76 H new ATOM 0 HB2 ALA A 24 -3.796 0.025 8.336 1.00 0.76 H new ATOM 0 HB3 ALA A 24 -3.480 -0.076 6.588 1.00 0.76 H new ATOM 354 N ILE A 25 -4.178 -2.593 5.081 1.00 0.55 N ATOM 355 CA ILE A 25 -4.647 -3.281 3.864 1.00 0.53 C ATOM 356 C ILE A 25 -4.940 -4.755 4.164 1.00 0.55 C ATOM 357 O ILE A 25 -5.917 -5.283 3.642 1.00 0.55 O ATOM 358 CB ILE A 25 -3.688 -3.070 2.666 1.00 0.60 C ATOM 359 CG1 ILE A 25 -3.558 -1.562 2.343 1.00 0.60 C ATOM 360 CG2 ILE A 25 -4.261 -3.809 1.443 1.00 0.84 C ATOM 361 CD1 ILE A 25 -2.520 -1.210 1.269 1.00 1.02 C ATOM 0 H ILE A 25 -3.221 -2.246 5.015 1.00 0.55 H new ATOM 0 HA ILE A 25 -5.588 -2.828 3.552 1.00 0.53 H new ATOM 0 HB ILE A 25 -2.701 -3.460 2.916 1.00 0.60 H new ATOM 0 HG12 ILE A 25 -4.531 -1.191 2.020 1.00 0.60 H new ATOM 0 HG13 ILE A 25 -3.302 -1.031 3.260 1.00 0.60 H new ATOM 0 HG21 ILE A 25 -3.597 -3.670 0.590 1.00 0.84 H new ATOM 0 HG22 ILE A 25 -4.346 -4.872 1.667 1.00 0.84 H new ATOM 0 HG23 ILE A 25 -5.246 -3.408 1.205 1.00 0.84 H new ATOM 0 HD11 ILE A 25 -2.506 -0.131 1.116 1.00 1.02 H new ATOM 0 HD12 ILE A 25 -1.534 -1.543 1.593 1.00 1.02 H new ATOM 0 HD13 ILE A 25 -2.782 -1.705 0.334 1.00 1.02 H new ATOM 373 N ALA A 26 -4.244 -5.345 5.143 1.00 0.57 N ATOM 374 CA ALA A 26 -4.588 -6.620 5.791 1.00 0.54 C ATOM 375 C ALA A 26 -6.047 -6.743 6.302 1.00 0.54 C ATOM 376 O ALA A 26 -6.436 -7.801 6.793 1.00 0.59 O ATOM 377 CB ALA A 26 -3.575 -6.870 6.914 1.00 0.60 C ATOM 0 H ALA A 26 -3.392 -4.932 5.522 1.00 0.57 H new ATOM 0 HA ALA A 26 -4.531 -7.391 5.023 1.00 0.54 H new ATOM 0 HB1 ALA A 26 -3.808 -7.811 7.412 1.00 0.60 H new ATOM 0 HB2 ALA A 26 -2.571 -6.921 6.493 1.00 0.60 H new ATOM 0 HB3 ALA A 26 -3.625 -6.056 7.637 1.00 0.60 H new ATOM 383 N LYS A 27 -6.863 -5.680 6.241 1.00 0.60 N ATOM 384 CA LYS A 27 -8.312 -5.711 6.491 1.00 0.64 C ATOM 385 C LYS A 27 -9.208 -5.507 5.249 1.00 0.63 C ATOM 386 O LYS A 27 -10.424 -5.617 5.385 1.00 0.70 O ATOM 387 CB LYS A 27 -8.623 -4.691 7.579 1.00 0.77 C ATOM 388 CG LYS A 27 -7.980 -5.204 8.871 1.00 1.03 C ATOM 389 CD LYS A 27 -8.029 -4.119 9.921 1.00 1.36 C ATOM 390 CE LYS A 27 -7.124 -4.513 11.088 1.00 1.98 C ATOM 391 NZ LYS A 27 -7.644 -5.707 11.803 1.00 3.66 N ATOM 0 H LYS A 27 -6.522 -4.747 6.009 1.00 0.60 H new ATOM 0 HA LYS A 27 -8.560 -6.723 6.811 1.00 0.64 H new ATOM 0 HB2 LYS A 27 -8.226 -3.711 7.314 1.00 0.77 H new ATOM 0 HB3 LYS A 27 -9.700 -4.576 7.703 1.00 0.77 H new ATOM 0 HG2 LYS A 27 -8.505 -6.091 9.224 1.00 1.03 H new ATOM 0 HG3 LYS A 27 -6.947 -5.498 8.684 1.00 1.03 H new ATOM 0 HD2 LYS A 27 -7.703 -3.169 9.496 1.00 1.36 H new ATOM 0 HD3 LYS A 27 -9.052 -3.978 10.269 1.00 1.36 H new ATOM 0 HE2 LYS A 27 -6.120 -4.719 10.717 1.00 1.98 H new ATOM 0 HE3 LYS A 27 -7.042 -3.678 11.784 1.00 1.98 H new ATOM 0 HZ1 LYS A 27 -7.044 -5.906 12.629 1.00 3.66 H new ATOM 0 HZ2 LYS A 27 -8.618 -5.526 12.119 1.00 3.66 H new ATOM 0 HZ3 LYS A 27 -7.635 -6.526 11.163 1.00 3.66 H new ATOM 405 N VAL A 28 -8.660 -5.226 4.065 1.00 0.59 N ATOM 406 CA VAL A 28 -9.441 -5.150 2.812 1.00 0.60 C ATOM 407 C VAL A 28 -9.944 -6.557 2.466 1.00 0.63 C ATOM 408 O VAL A 28 -9.136 -7.486 2.504 1.00 0.61 O ATOM 409 CB VAL A 28 -8.608 -4.550 1.648 1.00 0.67 C ATOM 410 CG1 VAL A 28 -9.331 -4.582 0.290 1.00 0.96 C ATOM 411 CG2 VAL A 28 -8.250 -3.088 1.963 1.00 0.98 C ATOM 0 H VAL A 28 -7.664 -5.044 3.940 1.00 0.59 H new ATOM 0 HA VAL A 28 -10.289 -4.481 2.959 1.00 0.60 H new ATOM 0 HB VAL A 28 -7.719 -5.175 1.565 1.00 0.67 H new ATOM 0 HG11 VAL A 28 -8.688 -4.146 -0.475 1.00 0.96 H new ATOM 0 HG12 VAL A 28 -9.562 -5.614 0.025 1.00 0.96 H new ATOM 0 HG13 VAL A 28 -10.256 -4.009 0.356 1.00 0.96 H new ATOM 0 HG21 VAL A 28 -7.665 -2.672 1.143 1.00 0.98 H new ATOM 0 HG22 VAL A 28 -9.165 -2.508 2.088 1.00 0.98 H new ATOM 0 HG23 VAL A 28 -7.666 -3.046 2.882 1.00 0.98 H new ATOM 421 N PRO A 29 -11.233 -6.750 2.114 1.00 0.82 N ATOM 422 CA PRO A 29 -11.799 -8.085 1.939 1.00 1.03 C ATOM 423 C PRO A 29 -11.147 -8.886 0.804 1.00 1.14 C ATOM 424 O PRO A 29 -11.184 -10.113 0.836 1.00 2.33 O ATOM 425 CB PRO A 29 -13.304 -7.882 1.720 1.00 1.26 C ATOM 426 CG PRO A 29 -13.412 -6.441 1.224 1.00 1.23 C ATOM 427 CD PRO A 29 -12.281 -5.746 1.978 1.00 0.97 C ATOM 0 HA PRO A 29 -11.604 -8.693 2.823 1.00 1.03 H new ATOM 0 HB2 PRO A 29 -13.700 -8.587 0.989 1.00 1.26 H new ATOM 0 HB3 PRO A 29 -13.866 -8.030 2.642 1.00 1.26 H new ATOM 0 HG2 PRO A 29 -13.282 -6.373 0.144 1.00 1.23 H new ATOM 0 HG3 PRO A 29 -14.383 -6.004 1.456 1.00 1.23 H new ATOM 0 HD2 PRO A 29 -11.922 -4.874 1.431 1.00 0.97 H new ATOM 0 HD3 PRO A 29 -12.617 -5.394 2.953 1.00 0.97 H new ATOM 435 N GLY A 30 -10.498 -8.222 -0.162 1.00 0.83 N ATOM 436 CA GLY A 30 -9.738 -8.885 -1.222 1.00 0.83 C ATOM 437 C GLY A 30 -8.267 -9.173 -0.902 1.00 0.66 C ATOM 438 O GLY A 30 -7.620 -9.781 -1.754 1.00 0.80 O ATOM 0 H GLY A 30 -10.488 -7.204 -0.227 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -10.230 -9.827 -1.462 1.00 0.83 H new ATOM 0 HA3 GLY A 30 -9.782 -8.265 -2.118 1.00 0.83 H new ATOM 442 N VAL A 31 -7.717 -8.731 0.243 1.00 0.56 N ATOM 443 CA VAL A 31 -6.283 -8.880 0.612 1.00 0.54 C ATOM 444 C VAL A 31 -5.847 -10.348 0.569 1.00 0.62 C ATOM 445 O VAL A 31 -6.565 -11.242 1.016 1.00 0.85 O ATOM 446 CB VAL A 31 -5.940 -8.241 1.975 1.00 0.56 C ATOM 447 CG1 VAL A 31 -6.411 -9.049 3.197 1.00 0.94 C ATOM 448 CG2 VAL A 31 -4.424 -7.979 2.064 1.00 0.71 C ATOM 0 H VAL A 31 -8.262 -8.249 0.958 1.00 0.56 H new ATOM 0 HA VAL A 31 -5.717 -8.330 -0.140 1.00 0.54 H new ATOM 0 HB VAL A 31 -6.495 -7.304 2.013 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -6.128 -8.526 4.110 1.00 0.94 H new ATOM 0 HG12 VAL A 31 -7.495 -9.160 3.164 1.00 0.94 H new ATOM 0 HG13 VAL A 31 -5.945 -10.034 3.184 1.00 0.94 H new ATOM 0 HG21 VAL A 31 -4.189 -7.528 3.028 1.00 0.71 H new ATOM 0 HG22 VAL A 31 -3.885 -8.921 1.963 1.00 0.71 H new ATOM 0 HG23 VAL A 31 -4.124 -7.302 1.264 1.00 0.71 H new ATOM 458 N GLN A 32 -4.661 -10.594 0.017 1.00 0.86 N ATOM 459 CA GLN A 32 -4.106 -11.942 -0.095 1.00 0.96 C ATOM 460 C GLN A 32 -2.580 -12.002 0.064 1.00 0.83 C ATOM 461 O GLN A 32 -2.058 -13.094 0.272 1.00 1.01 O ATOM 462 CB GLN A 32 -4.615 -12.579 -1.407 1.00 1.18 C ATOM 463 CG GLN A 32 -3.991 -12.004 -2.695 1.00 1.11 C ATOM 464 CD GLN A 32 -2.957 -12.955 -3.312 1.00 1.45 C ATOM 465 OE1 GLN A 32 -3.126 -13.430 -4.428 1.00 1.83 O ATOM 466 NE2 GLN A 32 -1.913 -13.361 -2.621 1.00 1.66 N ATOM 0 H GLN A 32 -4.058 -9.866 -0.365 1.00 0.86 H new ATOM 0 HA GLN A 32 -4.464 -12.534 0.747 1.00 0.96 H new ATOM 0 HB2 GLN A 32 -4.419 -13.651 -1.373 1.00 1.18 H new ATOM 0 HB3 GLN A 32 -5.697 -12.454 -1.458 1.00 1.18 H new ATOM 0 HG2 GLN A 32 -4.779 -11.806 -3.422 1.00 1.11 H new ATOM 0 HG3 GLN A 32 -3.516 -11.049 -2.472 1.00 1.11 H new ATOM 0 HE21 GLN A 32 -1.742 -12.986 -1.688 1.00 1.66 H new ATOM 0 HE22 GLN A 32 -1.275 -14.050 -3.019 1.00 1.66 H new ATOM 475 N SER A 33 -1.850 -10.884 -0.029 1.00 0.68 N ATOM 476 CA SER A 33 -0.414 -10.739 0.298 1.00 0.75 C ATOM 477 C SER A 33 0.046 -9.297 0.068 1.00 0.65 C ATOM 478 O SER A 33 -0.226 -8.747 -1.003 1.00 0.69 O ATOM 479 CB SER A 33 0.500 -11.672 -0.519 1.00 1.05 C ATOM 480 OG SER A 33 0.516 -12.979 0.022 1.00 1.77 O ATOM 0 H SER A 33 -2.260 -10.007 -0.350 1.00 0.68 H new ATOM 0 HA SER A 33 -0.325 -11.017 1.348 1.00 0.75 H new ATOM 0 HB2 SER A 33 0.156 -11.708 -1.553 1.00 1.05 H new ATOM 0 HB3 SER A 33 1.513 -11.270 -0.534 1.00 1.05 H new ATOM 0 HG SER A 33 -0.309 -13.134 0.528 1.00 1.77 H new ATOM 486 N CYS A 34 0.769 -8.743 1.051 1.00 0.70 N ATOM 487 CA CYS A 34 1.398 -7.412 1.083 1.00 0.63 C ATOM 488 C CYS A 34 2.943 -7.551 1.167 1.00 0.69 C ATOM 489 O CYS A 34 3.403 -8.662 1.452 1.00 1.18 O ATOM 490 CB CYS A 34 0.839 -6.624 2.295 1.00 0.77 C ATOM 491 SG CYS A 34 -0.859 -7.070 2.803 1.00 1.18 S ATOM 0 H CYS A 34 0.944 -9.255 1.916 1.00 0.70 H new ATOM 0 HA CYS A 34 1.166 -6.867 0.168 1.00 0.63 H new ATOM 0 HB2 CYS A 34 1.506 -6.775 3.144 1.00 0.77 H new ATOM 0 HB3 CYS A 34 0.862 -5.560 2.057 1.00 0.77 H new ATOM 0 HG CYS A 34 -1.211 -6.346 3.824 1.00 1.18 H new ATOM 497 N GLN A 35 3.719 -6.480 0.937 1.00 0.57 N ATOM 498 CA GLN A 35 5.188 -6.381 0.994 1.00 0.61 C ATOM 499 C GLN A 35 5.700 -4.997 0.538 1.00 0.65 C ATOM 500 O GLN A 35 5.673 -4.662 -0.645 1.00 0.88 O ATOM 501 CB GLN A 35 5.875 -7.512 0.200 1.00 0.62 C ATOM 502 CG GLN A 35 6.427 -8.611 1.123 1.00 1.23 C ATOM 503 CD GLN A 35 6.410 -9.981 0.451 1.00 1.89 C ATOM 504 OE1 GLN A 35 7.424 -10.562 0.104 1.00 2.87 O ATOM 505 NE2 GLN A 35 5.240 -10.541 0.236 1.00 1.92 N ATOM 0 H GLN A 35 3.300 -5.585 0.685 1.00 0.57 H new ATOM 0 HA GLN A 35 5.460 -6.500 2.043 1.00 0.61 H new ATOM 0 HB2 GLN A 35 5.162 -7.950 -0.498 1.00 0.62 H new ATOM 0 HB3 GLN A 35 6.688 -7.095 -0.394 1.00 0.62 H new ATOM 0 HG2 GLN A 35 7.448 -8.362 1.414 1.00 1.23 H new ATOM 0 HG3 GLN A 35 5.835 -8.648 2.038 1.00 1.23 H new ATOM 0 HE21 GLN A 35 4.386 -10.063 0.523 1.00 1.92 H new ATOM 0 HE22 GLN A 35 5.187 -11.453 -0.217 1.00 1.92 H new ATOM 514 N VAL A 36 6.224 -4.211 1.479 1.00 0.56 N ATOM 515 CA VAL A 36 6.931 -2.932 1.295 1.00 0.60 C ATOM 516 C VAL A 36 8.440 -3.083 1.539 1.00 0.63 C ATOM 517 O VAL A 36 8.869 -3.797 2.447 1.00 0.81 O ATOM 518 CB VAL A 36 6.323 -1.832 2.207 1.00 0.86 C ATOM 519 CG1 VAL A 36 6.647 -1.988 3.706 1.00 1.93 C ATOM 520 CG2 VAL A 36 6.751 -0.416 1.782 1.00 1.43 C ATOM 0 H VAL A 36 6.164 -4.466 2.465 1.00 0.56 H new ATOM 0 HA VAL A 36 6.799 -2.624 0.258 1.00 0.60 H new ATOM 0 HB VAL A 36 5.250 -1.967 2.074 1.00 0.86 H new ATOM 0 HG11 VAL A 36 6.182 -1.176 4.265 1.00 1.93 H new ATOM 0 HG12 VAL A 36 6.262 -2.943 4.064 1.00 1.93 H new ATOM 0 HG13 VAL A 36 7.727 -1.955 3.850 1.00 1.93 H new ATOM 0 HG21 VAL A 36 6.299 0.317 2.451 1.00 1.43 H new ATOM 0 HG22 VAL A 36 7.837 -0.333 1.833 1.00 1.43 H new ATOM 0 HG23 VAL A 36 6.420 -0.227 0.761 1.00 1.43 H new ATOM 530 N ASN A 37 9.251 -2.374 0.748 1.00 0.58 N ATOM 531 CA ASN A 37 10.705 -2.322 0.891 1.00 0.61 C ATOM 532 C ASN A 37 11.163 -0.897 1.247 1.00 0.62 C ATOM 533 O ASN A 37 11.338 -0.039 0.374 1.00 0.62 O ATOM 534 CB ASN A 37 11.348 -2.843 -0.400 1.00 0.66 C ATOM 535 CG ASN A 37 12.858 -3.007 -0.267 1.00 0.87 C ATOM 536 OD1 ASN A 37 13.574 -2.061 0.038 1.00 0.96 O ATOM 537 ND2 ASN A 37 13.386 -4.199 -0.480 1.00 1.22 N ATOM 0 H ASN A 37 8.905 -1.808 -0.027 1.00 0.58 H new ATOM 0 HA ASN A 37 11.027 -2.961 1.713 1.00 0.61 H new ATOM 0 HB2 ASN A 37 10.902 -3.802 -0.664 1.00 0.66 H new ATOM 0 HB3 ASN A 37 11.130 -2.154 -1.216 1.00 0.66 H new ATOM 0 HD21 ASN A 37 14.393 -4.334 -0.391 1.00 1.22 H new ATOM 0 HD22 ASN A 37 12.787 -4.984 -0.734 1.00 1.22 H new ATOM 544 N PHE A 38 11.402 -0.648 2.543 1.00 0.69 N ATOM 545 CA PHE A 38 11.755 0.673 3.087 1.00 0.73 C ATOM 546 C PHE A 38 13.243 1.044 2.863 1.00 0.77 C ATOM 547 O PHE A 38 13.928 1.510 3.772 1.00 0.93 O ATOM 548 CB PHE A 38 11.287 0.749 4.555 1.00 0.81 C ATOM 549 CG PHE A 38 11.056 2.166 5.060 1.00 1.17 C ATOM 550 CD1 PHE A 38 9.866 2.843 4.730 1.00 2.18 C ATOM 551 CD2 PHE A 38 12.033 2.820 5.834 1.00 2.60 C ATOM 552 CE1 PHE A 38 9.668 4.172 5.144 1.00 2.81 C ATOM 553 CE2 PHE A 38 11.838 4.151 6.244 1.00 3.14 C ATOM 554 CZ PHE A 38 10.661 4.833 5.889 1.00 2.77 C ATOM 0 H PHE A 38 11.354 -1.374 3.258 1.00 0.69 H new ATOM 0 HA PHE A 38 11.225 1.447 2.531 1.00 0.73 H new ATOM 0 HB2 PHE A 38 10.362 0.182 4.660 1.00 0.81 H new ATOM 0 HB3 PHE A 38 12.031 0.266 5.188 1.00 0.81 H new ATOM 0 HD1 PHE A 38 9.102 2.339 4.156 1.00 2.18 H new ATOM 0 HD2 PHE A 38 12.936 2.298 6.114 1.00 2.60 H new ATOM 0 HE1 PHE A 38 8.753 4.686 4.890 1.00 2.81 H new ATOM 0 HE2 PHE A 38 12.594 4.650 6.833 1.00 3.14 H new ATOM 0 HZ PHE A 38 10.520 5.861 6.187 1.00 2.77 H new ATOM 564 N ALA A 39 13.744 0.808 1.647 1.00 0.72 N ATOM 565 CA ALA A 39 15.086 1.167 1.187 1.00 0.78 C ATOM 566 C ALA A 39 15.097 1.441 -0.327 1.00 0.75 C ATOM 567 O ALA A 39 15.725 2.397 -0.768 1.00 0.88 O ATOM 568 CB ALA A 39 16.057 0.039 1.570 1.00 0.84 C ATOM 0 H ALA A 39 13.198 0.339 0.924 1.00 0.72 H new ATOM 0 HA ALA A 39 15.406 2.090 1.671 1.00 0.78 H new ATOM 0 HB1 ALA A 39 17.062 0.294 1.233 1.00 0.84 H new ATOM 0 HB2 ALA A 39 16.059 -0.088 2.653 1.00 0.84 H new ATOM 0 HB3 ALA A 39 15.740 -0.890 1.097 1.00 0.84 H new ATOM 574 N LEU A 40 14.362 0.647 -1.121 1.00 0.67 N ATOM 575 CA LEU A 40 14.219 0.774 -2.564 1.00 0.64 C ATOM 576 C LEU A 40 12.806 1.297 -2.963 1.00 0.61 C ATOM 577 O LEU A 40 12.431 1.322 -4.136 1.00 0.76 O ATOM 578 CB LEU A 40 14.660 -0.625 -3.057 1.00 0.62 C ATOM 579 CG LEU A 40 14.285 -1.013 -4.477 1.00 0.63 C ATOM 580 CD1 LEU A 40 14.893 -0.094 -5.550 1.00 0.70 C ATOM 581 CD2 LEU A 40 14.700 -2.466 -4.757 1.00 0.69 C ATOM 0 H LEU A 40 13.828 -0.137 -0.747 1.00 0.67 H new ATOM 0 HA LEU A 40 14.828 1.537 -3.049 1.00 0.64 H new ATOM 0 HB2 LEU A 40 15.744 -0.689 -2.965 1.00 0.62 H new ATOM 0 HB3 LEU A 40 14.238 -1.369 -2.381 1.00 0.62 H new ATOM 0 HG LEU A 40 13.203 -0.903 -4.542 1.00 0.63 H new ATOM 0 HD11 LEU A 40 14.582 -0.433 -6.538 1.00 0.70 H new ATOM 0 HD12 LEU A 40 14.549 0.928 -5.391 1.00 0.70 H new ATOM 0 HD13 LEU A 40 15.980 -0.125 -5.482 1.00 0.70 H new ATOM 0 HD21 LEU A 40 14.426 -2.732 -5.778 1.00 0.69 H new ATOM 0 HD22 LEU A 40 15.778 -2.567 -4.633 1.00 0.69 H new ATOM 0 HD23 LEU A 40 14.191 -3.131 -4.059 1.00 0.69 H new ATOM 593 N GLU A 41 12.009 1.727 -1.979 1.00 0.56 N ATOM 594 CA GLU A 41 10.775 2.522 -2.116 1.00 0.58 C ATOM 595 C GLU A 41 9.578 1.751 -2.701 1.00 0.50 C ATOM 596 O GLU A 41 8.511 2.348 -2.877 1.00 0.56 O ATOM 597 CB GLU A 41 10.984 3.792 -2.966 1.00 0.77 C ATOM 598 CG GLU A 41 12.182 4.679 -2.621 1.00 1.14 C ATOM 599 CD GLU A 41 12.233 5.820 -3.636 1.00 1.50 C ATOM 600 OE1 GLU A 41 12.573 5.550 -4.809 1.00 2.69 O ATOM 601 OE2 GLU A 41 11.765 6.938 -3.336 1.00 1.76 O ATOM 0 H GLU A 41 12.218 1.518 -1.003 1.00 0.56 H new ATOM 0 HA GLU A 41 10.536 2.788 -1.086 1.00 0.58 H new ATOM 0 HB2 GLU A 41 11.079 3.488 -4.009 1.00 0.77 H new ATOM 0 HB3 GLU A 41 10.082 4.400 -2.892 1.00 0.77 H new ATOM 0 HG2 GLU A 41 12.085 5.073 -1.609 1.00 1.14 H new ATOM 0 HG3 GLU A 41 13.105 4.101 -2.651 1.00 1.14 H new ATOM 608 N GLN A 42 9.711 0.466 -3.065 1.00 0.47 N ATOM 609 CA GLN A 42 8.546 -0.261 -3.575 1.00 0.42 C ATOM 610 C GLN A 42 7.548 -0.607 -2.474 1.00 0.49 C ATOM 611 O GLN A 42 7.925 -0.872 -1.332 1.00 0.59 O ATOM 612 CB GLN A 42 8.870 -1.503 -4.422 1.00 0.40 C ATOM 613 CG GLN A 42 9.210 -2.815 -3.657 1.00 0.46 C ATOM 614 CD GLN A 42 10.614 -3.376 -3.872 1.00 0.50 C ATOM 615 OE1 GLN A 42 11.066 -4.263 -3.173 1.00 1.14 O ATOM 616 NE2 GLN A 42 11.411 -2.894 -4.800 1.00 0.97 N ATOM 0 H GLN A 42 10.577 -0.070 -3.018 1.00 0.47 H new ATOM 0 HA GLN A 42 8.082 0.449 -4.260 1.00 0.42 H new ATOM 0 HB2 GLN A 42 8.017 -1.701 -5.071 1.00 0.40 H new ATOM 0 HB3 GLN A 42 9.713 -1.261 -5.069 1.00 0.40 H new ATOM 0 HG2 GLN A 42 9.072 -2.635 -2.591 1.00 0.46 H new ATOM 0 HG3 GLN A 42 8.488 -3.578 -3.948 1.00 0.46 H new ATOM 0 HE21 GLN A 42 11.085 -2.149 -5.416 1.00 0.97 H new ATOM 0 HE22 GLN A 42 12.355 -3.265 -4.904 1.00 0.97 H new ATOM 625 N ALA A 43 6.291 -0.737 -2.888 1.00 0.48 N ATOM 626 CA ALA A 43 5.339 -1.623 -2.248 1.00 0.55 C ATOM 627 C ALA A 43 4.737 -2.568 -3.289 1.00 0.57 C ATOM 628 O ALA A 43 4.638 -2.258 -4.478 1.00 0.74 O ATOM 629 CB ALA A 43 4.258 -0.807 -1.528 1.00 0.68 C ATOM 0 H ALA A 43 5.907 -0.225 -3.682 1.00 0.48 H new ATOM 0 HA ALA A 43 5.847 -2.228 -1.497 1.00 0.55 H new ATOM 0 HB1 ALA A 43 3.549 -1.483 -1.051 1.00 0.68 H new ATOM 0 HB2 ALA A 43 4.723 -0.176 -0.771 1.00 0.68 H new ATOM 0 HB3 ALA A 43 3.733 -0.181 -2.250 1.00 0.68 H new ATOM 635 N VAL A 44 4.289 -3.711 -2.807 1.00 0.54 N ATOM 636 CA VAL A 44 3.383 -4.601 -3.527 1.00 0.60 C ATOM 637 C VAL A 44 2.275 -5.033 -2.592 1.00 0.73 C ATOM 638 O VAL A 44 2.546 -5.518 -1.498 1.00 0.81 O ATOM 639 CB VAL A 44 4.088 -5.810 -4.187 1.00 0.56 C ATOM 640 CG1 VAL A 44 4.860 -6.745 -3.242 1.00 0.52 C ATOM 641 CG2 VAL A 44 3.091 -6.649 -5.008 1.00 0.72 C ATOM 0 H VAL A 44 4.547 -4.059 -1.884 1.00 0.54 H new ATOM 0 HA VAL A 44 2.963 -4.042 -4.363 1.00 0.60 H new ATOM 0 HB VAL A 44 4.841 -5.345 -4.824 1.00 0.56 H new ATOM 0 HG11 VAL A 44 5.310 -7.553 -3.818 1.00 0.52 H new ATOM 0 HG12 VAL A 44 5.643 -6.182 -2.733 1.00 0.52 H new ATOM 0 HG13 VAL A 44 4.175 -7.163 -2.504 1.00 0.52 H new ATOM 0 HG21 VAL A 44 3.612 -7.492 -5.461 1.00 0.72 H new ATOM 0 HG22 VAL A 44 2.302 -7.019 -4.354 1.00 0.72 H new ATOM 0 HG23 VAL A 44 2.653 -6.030 -5.791 1.00 0.72 H new ATOM 651 N VAL A 45 1.026 -4.880 -3.033 1.00 0.82 N ATOM 652 CA VAL A 45 -0.094 -5.564 -2.373 1.00 0.79 C ATOM 653 C VAL A 45 -1.020 -6.156 -3.410 1.00 0.79 C ATOM 654 O VAL A 45 -1.333 -5.573 -4.447 1.00 0.75 O ATOM 655 CB VAL A 45 -0.898 -4.736 -1.333 1.00 0.87 C ATOM 656 CG1 VAL A 45 -1.729 -5.662 -0.432 1.00 1.13 C ATOM 657 CG2 VAL A 45 0.016 -3.884 -0.439 1.00 1.17 C ATOM 0 H VAL A 45 0.764 -4.300 -3.830 1.00 0.82 H new ATOM 0 HA VAL A 45 0.378 -6.343 -1.775 1.00 0.79 H new ATOM 0 HB VAL A 45 -1.550 -4.073 -1.902 1.00 0.87 H new ATOM 0 HG11 VAL A 45 -2.285 -5.064 0.290 1.00 1.13 H new ATOM 0 HG12 VAL A 45 -2.427 -6.234 -1.043 1.00 1.13 H new ATOM 0 HG13 VAL A 45 -1.066 -6.346 0.098 1.00 1.13 H new ATOM 0 HG21 VAL A 45 -0.591 -3.323 0.272 1.00 1.17 H new ATOM 0 HG22 VAL A 45 0.703 -4.534 0.103 1.00 1.17 H new ATOM 0 HG23 VAL A 45 0.585 -3.190 -1.057 1.00 1.17 H new ATOM 667 N SER A 46 -1.455 -7.361 -3.097 1.00 0.94 N ATOM 668 CA SER A 46 -2.475 -8.125 -3.791 1.00 1.09 C ATOM 669 C SER A 46 -3.725 -8.178 -2.890 1.00 0.90 C ATOM 670 O SER A 46 -3.655 -8.651 -1.752 1.00 0.91 O ATOM 671 CB SER A 46 -1.837 -9.463 -4.197 1.00 1.71 C ATOM 672 OG SER A 46 -1.318 -10.209 -3.110 1.00 3.79 O ATOM 0 H SER A 46 -1.079 -7.868 -2.295 1.00 0.94 H new ATOM 0 HA SER A 46 -2.833 -7.684 -4.721 1.00 1.09 H new ATOM 0 HB2 SER A 46 -2.582 -10.066 -4.715 1.00 1.71 H new ATOM 0 HB3 SER A 46 -1.034 -9.269 -4.908 1.00 1.71 H new ATOM 0 HG SER A 46 -0.835 -9.610 -2.503 1.00 3.79 H new ATOM 678 N TYR A 47 -4.836 -7.583 -3.362 1.00 0.97 N ATOM 679 CA TYR A 47 -5.966 -7.127 -2.522 1.00 0.95 C ATOM 680 C TYR A 47 -7.301 -6.850 -3.244 1.00 1.02 C ATOM 681 O TYR A 47 -8.164 -6.132 -2.741 1.00 1.44 O ATOM 682 CB TYR A 47 -5.562 -6.006 -1.536 1.00 1.10 C ATOM 683 CG TYR A 47 -5.113 -4.648 -2.068 1.00 1.06 C ATOM 684 CD1 TYR A 47 -4.028 -4.549 -2.956 1.00 1.56 C ATOM 685 CD2 TYR A 47 -5.668 -3.462 -1.546 1.00 1.81 C ATOM 686 CE1 TYR A 47 -3.507 -3.299 -3.333 1.00 1.52 C ATOM 687 CE2 TYR A 47 -5.129 -2.204 -1.883 1.00 2.03 C ATOM 688 CZ TYR A 47 -4.048 -2.123 -2.787 1.00 1.36 C ATOM 689 OH TYR A 47 -3.487 -0.932 -3.122 1.00 1.63 O ATOM 0 H TYR A 47 -4.979 -7.401 -4.355 1.00 0.97 H new ATOM 0 HA TYR A 47 -6.203 -8.012 -1.931 1.00 0.95 H new ATOM 0 HB2 TYR A 47 -6.413 -5.831 -0.878 1.00 1.10 H new ATOM 0 HB3 TYR A 47 -4.754 -6.395 -0.916 1.00 1.10 H new ATOM 0 HD1 TYR A 47 -3.586 -5.450 -3.356 1.00 1.56 H new ATOM 0 HD2 TYR A 47 -6.516 -3.518 -0.880 1.00 1.81 H new ATOM 0 HE1 TYR A 47 -2.693 -3.243 -4.041 1.00 1.52 H new ATOM 0 HE2 TYR A 47 -5.542 -1.305 -1.451 1.00 2.03 H new ATOM 0 HH TYR A 47 -4.023 -0.201 -2.749 1.00 1.63 H new ATOM 699 N HIS A 48 -7.478 -7.448 -4.422 1.00 0.98 N ATOM 700 CA HIS A 48 -8.551 -7.110 -5.365 1.00 1.09 C ATOM 701 C HIS A 48 -9.350 -8.344 -5.824 1.00 1.29 C ATOM 702 O HIS A 48 -8.770 -9.394 -6.112 1.00 1.57 O ATOM 703 CB HIS A 48 -7.908 -6.426 -6.574 1.00 1.37 C ATOM 704 CG HIS A 48 -7.046 -5.249 -6.224 1.00 1.29 C ATOM 705 ND1 HIS A 48 -7.487 -3.931 -6.126 1.00 1.13 N ATOM 706 CD2 HIS A 48 -5.723 -5.320 -5.894 1.00 1.49 C ATOM 707 CE1 HIS A 48 -6.416 -3.223 -5.743 1.00 1.22 C ATOM 708 NE2 HIS A 48 -5.344 -4.025 -5.615 1.00 1.50 N ATOM 0 H HIS A 48 -6.870 -8.195 -4.756 1.00 0.98 H new ATOM 0 HA HIS A 48 -9.262 -6.453 -4.864 1.00 1.09 H new ATOM 0 HB2 HIS A 48 -7.305 -7.157 -7.114 1.00 1.37 H new ATOM 0 HB3 HIS A 48 -8.695 -6.098 -7.253 1.00 1.37 H new ATOM 0 HD2 HIS A 48 -5.104 -6.204 -5.859 1.00 1.49 H new ATOM 0 HE1 HIS A 48 -6.414 -2.158 -5.562 1.00 1.22 H new ATOM 0 HE2 HIS A 48 -4.405 -3.724 -5.354 1.00 1.50 H new ATOM 716 N GLY A 49 -10.679 -8.206 -5.938 1.00 1.58 N ATOM 717 CA GLY A 49 -11.589 -9.299 -6.328 1.00 1.97 C ATOM 718 C GLY A 49 -13.074 -8.987 -6.131 1.00 1.59 C ATOM 719 O GLY A 49 -13.828 -9.864 -5.724 1.00 2.67 O ATOM 0 H GLY A 49 -11.160 -7.324 -5.761 1.00 1.58 H new ATOM 0 HA2 GLY A 49 -11.417 -9.541 -7.377 1.00 1.97 H new ATOM 0 HA3 GLY A 49 -11.337 -10.188 -5.750 1.00 1.97 H new ATOM 723 N GLU A 50 -13.468 -7.741 -6.383 1.00 1.68 N ATOM 724 CA GLU A 50 -14.757 -7.128 -6.043 1.00 2.01 C ATOM 725 C GLU A 50 -14.834 -5.800 -6.842 1.00 1.97 C ATOM 726 O GLU A 50 -14.265 -5.756 -7.936 1.00 2.50 O ATOM 727 CB GLU A 50 -14.872 -7.060 -4.500 1.00 3.02 C ATOM 728 CG GLU A 50 -16.185 -6.505 -3.918 1.00 3.73 C ATOM 729 CD GLU A 50 -15.961 -5.204 -3.147 1.00 4.68 C ATOM 730 OE1 GLU A 50 -15.213 -4.352 -3.680 1.00 5.56 O ATOM 731 OE2 GLU A 50 -16.552 -5.060 -2.062 1.00 5.29 O ATOM 0 H GLU A 50 -12.854 -7.084 -6.864 1.00 1.68 H new ATOM 0 HA GLU A 50 -15.642 -7.693 -6.336 1.00 2.01 H new ATOM 0 HB2 GLU A 50 -14.725 -8.065 -4.105 1.00 3.02 H new ATOM 0 HB3 GLU A 50 -14.051 -6.448 -4.126 1.00 3.02 H new ATOM 0 HG2 GLU A 50 -16.895 -6.331 -4.726 1.00 3.73 H new ATOM 0 HG3 GLU A 50 -16.631 -7.247 -3.256 1.00 3.73 H new ATOM 738 N THR A 51 -15.490 -4.730 -6.370 1.00 2.21 N ATOM 739 CA THR A 51 -15.513 -3.416 -7.041 1.00 2.41 C ATOM 740 C THR A 51 -14.327 -2.524 -6.651 1.00 2.24 C ATOM 741 O THR A 51 -14.156 -1.499 -7.314 1.00 3.40 O ATOM 742 CB THR A 51 -16.867 -2.725 -6.826 1.00 3.08 C ATOM 743 OG1 THR A 51 -16.923 -1.604 -7.673 1.00 3.86 O ATOM 744 CG2 THR A 51 -17.132 -2.257 -5.394 1.00 3.93 C ATOM 0 H THR A 51 -16.026 -4.750 -5.503 1.00 2.21 H new ATOM 0 HA THR A 51 -15.395 -3.593 -8.110 1.00 2.41 H new ATOM 0 HB THR A 51 -17.631 -3.471 -7.047 1.00 3.08 H new ATOM 0 HG1 THR A 51 -16.019 -1.253 -7.811 1.00 3.86 H new ATOM 0 HG21 THR A 51 -18.112 -1.782 -5.342 1.00 3.93 H new ATOM 0 HG22 THR A 51 -17.108 -3.114 -4.721 1.00 3.93 H new ATOM 0 HG23 THR A 51 -16.365 -1.541 -5.097 1.00 3.93 H new ATOM 752 N THR A 52 -13.548 -2.893 -5.616 1.00 2.25 N ATOM 753 CA THR A 52 -12.241 -2.342 -5.166 1.00 2.32 C ATOM 754 C THR A 52 -11.680 -1.188 -6.028 1.00 1.21 C ATOM 755 O THR A 52 -10.872 -1.449 -6.923 1.00 2.22 O ATOM 756 CB THR A 52 -11.208 -3.475 -5.017 1.00 3.84 C ATOM 757 OG1 THR A 52 -11.161 -4.229 -6.206 1.00 4.29 O ATOM 758 CG2 THR A 52 -11.552 -4.412 -3.859 1.00 5.53 C ATOM 0 H THR A 52 -13.841 -3.659 -5.010 1.00 2.25 H new ATOM 0 HA THR A 52 -12.438 -1.886 -4.196 1.00 2.32 H new ATOM 0 HB THR A 52 -10.242 -3.013 -4.812 1.00 3.84 H new ATOM 0 HG1 THR A 52 -11.061 -3.626 -6.972 1.00 4.29 H new ATOM 0 HG21 THR A 52 -10.798 -5.196 -3.789 1.00 5.53 H new ATOM 0 HG22 THR A 52 -11.574 -3.846 -2.928 1.00 5.53 H new ATOM 0 HG23 THR A 52 -12.529 -4.862 -4.033 1.00 5.53 H new ATOM 766 N PRO A 53 -12.113 0.071 -5.784 1.00 1.52 N ATOM 767 CA PRO A 53 -11.776 1.244 -6.599 1.00 2.42 C ATOM 768 C PRO A 53 -10.543 1.977 -6.027 1.00 1.83 C ATOM 769 O PRO A 53 -9.683 1.346 -5.421 1.00 1.56 O ATOM 770 CB PRO A 53 -13.070 2.070 -6.566 1.00 4.19 C ATOM 771 CG PRO A 53 -13.542 1.881 -5.125 1.00 4.43 C ATOM 772 CD PRO A 53 -13.172 0.426 -4.840 1.00 3.11 C ATOM 0 HA PRO A 53 -11.480 1.014 -7.622 1.00 2.42 H new ATOM 0 HB2 PRO A 53 -12.889 3.119 -6.800 1.00 4.19 H new ATOM 0 HB3 PRO A 53 -13.803 1.705 -7.285 1.00 4.19 H new ATOM 0 HG2 PRO A 53 -13.042 2.567 -4.442 1.00 4.43 H new ATOM 0 HG3 PRO A 53 -14.613 2.054 -5.024 1.00 4.43 H new ATOM 0 HD2 PRO A 53 -12.830 0.308 -3.812 1.00 3.11 H new ATOM 0 HD3 PRO A 53 -14.037 -0.225 -4.965 1.00 3.11 H new ATOM 780 N GLN A 54 -10.458 3.312 -6.159 1.00 1.87 N ATOM 781 CA GLN A 54 -9.373 4.152 -5.616 1.00 1.55 C ATOM 782 C GLN A 54 -9.220 4.077 -4.080 1.00 1.26 C ATOM 783 O GLN A 54 -8.223 4.537 -3.545 1.00 1.09 O ATOM 784 CB GLN A 54 -9.530 5.589 -6.148 1.00 2.12 C ATOM 785 CG GLN A 54 -8.283 6.458 -5.893 1.00 3.37 C ATOM 786 CD GLN A 54 -8.260 7.763 -6.689 1.00 4.33 C ATOM 787 OE1 GLN A 54 -8.723 7.855 -7.815 1.00 4.54 O ATOM 788 NE2 GLN A 54 -7.717 8.823 -6.133 1.00 5.31 N ATOM 0 H GLN A 54 -11.162 3.853 -6.661 1.00 1.87 H new ATOM 0 HA GLN A 54 -8.427 3.748 -5.976 1.00 1.55 H new ATOM 0 HB2 GLN A 54 -9.732 5.556 -7.219 1.00 2.12 H new ATOM 0 HB3 GLN A 54 -10.395 6.054 -5.675 1.00 2.12 H new ATOM 0 HG2 GLN A 54 -8.227 6.692 -4.830 1.00 3.37 H new ATOM 0 HG3 GLN A 54 -7.393 5.879 -6.139 1.00 3.37 H new ATOM 0 HE21 GLN A 54 -7.326 8.762 -5.193 1.00 5.31 H new ATOM 0 HE22 GLN A 54 -7.687 9.707 -6.642 1.00 5.31 H new ATOM 797 N ILE A 55 -10.106 3.375 -3.364 1.00 1.45 N ATOM 798 CA ILE A 55 -9.858 2.871 -1.993 1.00 1.42 C ATOM 799 C ILE A 55 -8.542 2.055 -1.912 1.00 1.27 C ATOM 800 O ILE A 55 -7.959 1.902 -0.843 1.00 1.32 O ATOM 801 CB ILE A 55 -11.109 2.089 -1.512 1.00 1.89 C ATOM 802 CG1 ILE A 55 -12.330 3.043 -1.421 1.00 2.14 C ATOM 803 CG2 ILE A 55 -10.892 1.394 -0.153 1.00 2.05 C ATOM 804 CD1 ILE A 55 -13.676 2.340 -1.206 1.00 2.77 C ATOM 0 H ILE A 55 -11.031 3.133 -3.719 1.00 1.45 H new ATOM 0 HA ILE A 55 -9.707 3.707 -1.311 1.00 1.42 H new ATOM 0 HB ILE A 55 -11.296 1.308 -2.249 1.00 1.89 H new ATOM 0 HG12 ILE A 55 -12.166 3.744 -0.602 1.00 2.14 H new ATOM 0 HG13 ILE A 55 -12.384 3.630 -2.338 1.00 2.14 H new ATOM 0 HG21 ILE A 55 -11.800 0.863 0.133 1.00 2.05 H new ATOM 0 HG22 ILE A 55 -10.067 0.686 -0.234 1.00 2.05 H new ATOM 0 HG23 ILE A 55 -10.655 2.141 0.604 1.00 2.05 H new ATOM 0 HD11 ILE A 55 -14.471 3.084 -1.155 1.00 2.77 H new ATOM 0 HD12 ILE A 55 -13.868 1.660 -2.036 1.00 2.77 H new ATOM 0 HD13 ILE A 55 -13.647 1.775 -0.274 1.00 2.77 H new ATOM 816 N LEU A 56 -8.022 1.576 -3.049 1.00 1.23 N ATOM 817 CA LEU A 56 -6.693 0.977 -3.147 1.00 1.16 C ATOM 818 C LEU A 56 -5.551 1.948 -2.797 1.00 0.93 C ATOM 819 O LEU A 56 -4.514 1.474 -2.327 1.00 1.13 O ATOM 820 CB LEU A 56 -6.534 0.290 -4.521 1.00 1.26 C ATOM 821 CG LEU A 56 -6.344 1.192 -5.763 1.00 1.17 C ATOM 822 CD1 LEU A 56 -4.876 1.599 -5.987 1.00 1.24 C ATOM 823 CD2 LEU A 56 -6.803 0.442 -7.024 1.00 1.45 C ATOM 0 H LEU A 56 -8.523 1.596 -3.937 1.00 1.23 H new ATOM 0 HA LEU A 56 -6.609 0.208 -2.379 1.00 1.16 H new ATOM 0 HB2 LEU A 56 -5.678 -0.382 -4.462 1.00 1.26 H new ATOM 0 HB3 LEU A 56 -7.415 -0.330 -4.689 1.00 1.26 H new ATOM 0 HG LEU A 56 -6.936 2.089 -5.582 1.00 1.17 H new ATOM 0 HD11 LEU A 56 -4.805 2.231 -6.872 1.00 1.24 H new ATOM 0 HD12 LEU A 56 -4.514 2.149 -5.118 1.00 1.24 H new ATOM 0 HD13 LEU A 56 -4.268 0.705 -6.129 1.00 1.24 H new ATOM 0 HD21 LEU A 56 -6.668 1.081 -7.897 1.00 1.45 H new ATOM 0 HD22 LEU A 56 -6.211 -0.466 -7.143 1.00 1.45 H new ATOM 0 HD23 LEU A 56 -7.856 0.178 -6.927 1.00 1.45 H new ATOM 835 N THR A 57 -5.721 3.262 -3.034 1.00 0.72 N ATOM 836 CA THR A 57 -4.776 4.311 -2.590 1.00 0.73 C ATOM 837 C THR A 57 -5.070 4.782 -1.179 1.00 0.69 C ATOM 838 O THR A 57 -4.109 4.969 -0.442 1.00 0.77 O ATOM 839 CB THR A 57 -4.641 5.531 -3.525 1.00 1.06 C ATOM 840 OG1 THR A 57 -5.770 6.369 -3.535 1.00 2.24 O ATOM 841 CG2 THR A 57 -4.351 5.125 -4.968 1.00 2.13 C ATOM 0 H THR A 57 -6.524 3.631 -3.543 1.00 0.72 H new ATOM 0 HA THR A 57 -3.812 3.803 -2.622 1.00 0.73 H new ATOM 0 HB THR A 57 -3.799 6.084 -3.109 1.00 1.06 H new ATOM 0 HG1 THR A 57 -5.574 7.187 -3.032 1.00 2.24 H new ATOM 0 HG21 THR A 57 -4.265 6.018 -5.587 1.00 2.13 H new ATOM 0 HG22 THR A 57 -3.417 4.564 -5.008 1.00 2.13 H new ATOM 0 HG23 THR A 57 -5.164 4.502 -5.341 1.00 2.13 H new ATOM 849 N ASP A 58 -6.339 4.924 -0.784 1.00 0.67 N ATOM 850 CA ASP A 58 -6.780 5.432 0.535 1.00 0.73 C ATOM 851 C ASP A 58 -5.868 4.998 1.701 1.00 0.65 C ATOM 852 O ASP A 58 -5.298 5.829 2.407 1.00 0.61 O ATOM 853 CB ASP A 58 -8.229 4.969 0.770 1.00 0.85 C ATOM 854 CG ASP A 58 -8.824 5.467 2.094 1.00 1.39 C ATOM 855 OD1 ASP A 58 -8.580 4.807 3.129 1.00 2.28 O ATOM 856 OD2 ASP A 58 -9.556 6.480 2.042 1.00 2.15 O ATOM 0 H ASP A 58 -7.122 4.682 -1.391 1.00 0.67 H new ATOM 0 HA ASP A 58 -6.718 6.520 0.514 1.00 0.73 H new ATOM 0 HB2 ASP A 58 -8.852 5.319 -0.053 1.00 0.85 H new ATOM 0 HB3 ASP A 58 -8.261 3.880 0.753 1.00 0.85 H new ATOM 861 N ALA A 59 -5.603 3.693 1.814 1.00 0.69 N ATOM 862 CA ALA A 59 -4.781 3.105 2.876 1.00 0.73 C ATOM 863 C ALA A 59 -3.274 3.453 2.846 1.00 0.74 C ATOM 864 O ALA A 59 -2.582 3.171 3.826 1.00 0.86 O ATOM 865 CB ALA A 59 -5.031 1.593 2.857 1.00 0.85 C ATOM 0 H ALA A 59 -5.962 3.001 1.156 1.00 0.69 H new ATOM 0 HA ALA A 59 -5.093 3.554 3.819 1.00 0.73 H new ATOM 0 HB1 ALA A 59 -4.436 1.116 3.635 1.00 0.85 H new ATOM 0 HB2 ALA A 59 -6.088 1.397 3.037 1.00 0.85 H new ATOM 0 HB3 ALA A 59 -4.748 1.190 1.885 1.00 0.85 H new ATOM 871 N VAL A 60 -2.784 4.077 1.771 1.00 0.67 N ATOM 872 CA VAL A 60 -1.461 4.731 1.634 1.00 0.61 C ATOM 873 C VAL A 60 -1.531 6.230 1.968 1.00 0.53 C ATOM 874 O VAL A 60 -0.610 6.767 2.585 1.00 0.57 O ATOM 875 CB VAL A 60 -0.872 4.457 0.215 1.00 0.82 C ATOM 876 CG1 VAL A 60 -0.882 5.618 -0.794 1.00 2.06 C ATOM 877 CG2 VAL A 60 0.572 3.958 0.307 1.00 2.44 C ATOM 0 H VAL A 60 -3.330 4.149 0.912 1.00 0.67 H new ATOM 0 HA VAL A 60 -0.779 4.295 2.364 1.00 0.61 H new ATOM 0 HB VAL A 60 -1.564 3.709 -0.173 1.00 0.82 H new ATOM 0 HG11 VAL A 60 -0.444 5.286 -1.735 1.00 2.06 H new ATOM 0 HG12 VAL A 60 -1.908 5.942 -0.966 1.00 2.06 H new ATOM 0 HG13 VAL A 60 -0.301 6.450 -0.397 1.00 2.06 H new ATOM 0 HG21 VAL A 60 0.958 3.775 -0.696 1.00 2.44 H new ATOM 0 HG22 VAL A 60 1.186 4.711 0.801 1.00 2.44 H new ATOM 0 HG23 VAL A 60 0.601 3.032 0.882 1.00 2.44 H new ATOM 887 N GLU A 61 -2.646 6.892 1.646 1.00 0.54 N ATOM 888 CA GLU A 61 -2.882 8.318 1.931 1.00 0.59 C ATOM 889 C GLU A 61 -3.093 8.546 3.442 1.00 0.58 C ATOM 890 O GLU A 61 -2.549 9.490 4.013 1.00 0.72 O ATOM 891 CB GLU A 61 -4.016 8.859 1.033 1.00 0.74 C ATOM 892 CG GLU A 61 -3.703 8.547 -0.446 1.00 1.70 C ATOM 893 CD GLU A 61 -4.468 9.374 -1.476 1.00 2.02 C ATOM 894 OE1 GLU A 61 -4.408 10.622 -1.365 1.00 2.13 O ATOM 895 OE2 GLU A 61 -4.939 8.758 -2.464 1.00 3.41 O ATOM 0 H GLU A 61 -3.429 6.445 1.169 1.00 0.54 H new ATOM 0 HA GLU A 61 -1.998 8.902 1.677 1.00 0.59 H new ATOM 0 HB2 GLU A 61 -4.966 8.405 1.317 1.00 0.74 H new ATOM 0 HB3 GLU A 61 -4.122 9.935 1.173 1.00 0.74 H new ATOM 0 HG2 GLU A 61 -2.636 8.694 -0.611 1.00 1.70 H new ATOM 0 HG3 GLU A 61 -3.912 7.493 -0.627 1.00 1.70 H new ATOM 902 N ARG A 62 -3.685 7.553 4.115 1.00 0.54 N ATOM 903 CA ARG A 62 -3.583 7.222 5.548 1.00 0.59 C ATOM 904 C ARG A 62 -2.233 7.501 6.230 1.00 0.58 C ATOM 905 O ARG A 62 -2.205 7.704 7.443 1.00 0.71 O ATOM 906 CB ARG A 62 -3.863 5.712 5.616 1.00 0.76 C ATOM 907 CG ARG A 62 -3.724 4.996 6.971 1.00 1.31 C ATOM 908 CD ARG A 62 -2.304 4.514 7.381 1.00 0.95 C ATOM 909 NE ARG A 62 -2.370 3.337 8.275 1.00 1.30 N ATOM 910 CZ ARG A 62 -3.068 3.218 9.398 1.00 1.23 C ATOM 911 NH1 ARG A 62 -3.731 4.222 9.932 1.00 1.83 N ATOM 912 NH2 ARG A 62 -3.109 2.047 9.993 1.00 2.10 N ATOM 0 H ARG A 62 -4.303 6.901 3.632 1.00 0.54 H new ATOM 0 HA ARG A 62 -4.280 7.863 6.087 1.00 0.59 H new ATOM 0 HB2 ARG A 62 -4.879 5.548 5.258 1.00 0.76 H new ATOM 0 HB3 ARG A 62 -3.193 5.219 4.911 1.00 0.76 H new ATOM 0 HG2 ARG A 62 -4.089 5.669 7.747 1.00 1.31 H new ATOM 0 HG3 ARG A 62 -4.385 4.130 6.964 1.00 1.31 H new ATOM 0 HD2 ARG A 62 -1.732 4.263 6.488 1.00 0.95 H new ATOM 0 HD3 ARG A 62 -1.774 5.324 7.882 1.00 0.95 H new ATOM 0 HE ARG A 62 -1.817 2.526 7.997 1.00 1.30 H new ATOM 0 HH11 ARG A 62 -3.721 5.137 9.481 1.00 1.83 H new ATOM 0 HH12 ARG A 62 -4.254 4.085 10.797 1.00 1.83 H new ATOM 0 HH21 ARG A 62 -2.611 1.253 9.591 1.00 2.10 H new ATOM 0 HH22 ARG A 62 -3.639 1.932 10.857 1.00 2.10 H new ATOM 926 N ALA A 63 -1.111 7.371 5.517 1.00 0.54 N ATOM 927 CA ALA A 63 0.240 7.530 6.071 1.00 0.65 C ATOM 928 C ALA A 63 0.904 8.887 5.756 1.00 0.78 C ATOM 929 O ALA A 63 1.995 9.155 6.257 1.00 0.93 O ATOM 930 CB ALA A 63 1.087 6.361 5.555 1.00 0.66 C ATOM 0 H ALA A 63 -1.114 7.149 4.522 1.00 0.54 H new ATOM 0 HA ALA A 63 0.165 7.520 7.158 1.00 0.65 H new ATOM 0 HB1 ALA A 63 2.101 6.445 5.947 1.00 0.66 H new ATOM 0 HB2 ALA A 63 0.648 5.420 5.885 1.00 0.66 H new ATOM 0 HB3 ALA A 63 1.116 6.386 4.466 1.00 0.66 H new ATOM 936 N GLY A 64 0.269 9.719 4.919 1.00 0.77 N ATOM 937 CA GLY A 64 0.855 10.928 4.337 1.00 0.91 C ATOM 938 C GLY A 64 1.563 10.640 3.013 1.00 0.88 C ATOM 939 O GLY A 64 2.270 11.504 2.505 1.00 0.99 O ATOM 0 H GLY A 64 -0.694 9.562 4.621 1.00 0.77 H new ATOM 0 HA2 GLY A 64 0.072 11.669 4.176 1.00 0.91 H new ATOM 0 HA3 GLY A 64 1.565 11.362 5.041 1.00 0.91 H new ATOM 943 N TYR A 65 1.399 9.427 2.468 1.00 0.80 N ATOM 944 CA TYR A 65 2.127 8.924 1.299 1.00 0.83 C ATOM 945 C TYR A 65 1.194 8.802 0.075 1.00 0.81 C ATOM 946 O TYR A 65 -0.023 8.841 0.243 1.00 0.96 O ATOM 947 CB TYR A 65 2.770 7.575 1.706 1.00 0.89 C ATOM 948 CG TYR A 65 3.728 7.601 2.901 1.00 0.99 C ATOM 949 CD1 TYR A 65 4.239 8.807 3.430 1.00 2.01 C ATOM 950 CD2 TYR A 65 4.066 6.389 3.538 1.00 2.33 C ATOM 951 CE1 TYR A 65 4.962 8.820 4.632 1.00 2.04 C ATOM 952 CE2 TYR A 65 4.818 6.386 4.730 1.00 2.50 C ATOM 953 CZ TYR A 65 5.233 7.611 5.299 1.00 1.35 C ATOM 954 OH TYR A 65 5.920 7.652 6.471 1.00 1.59 O ATOM 0 H TYR A 65 0.735 8.749 2.841 1.00 0.80 H new ATOM 0 HA TYR A 65 2.911 9.617 0.994 1.00 0.83 H new ATOM 0 HB2 TYR A 65 1.969 6.870 1.928 1.00 0.89 H new ATOM 0 HB3 TYR A 65 3.311 7.183 0.845 1.00 0.89 H new ATOM 0 HD1 TYR A 65 4.070 9.733 2.901 1.00 2.01 H new ATOM 0 HD2 TYR A 65 3.745 5.452 3.107 1.00 2.33 H new ATOM 0 HE1 TYR A 65 5.310 9.756 5.044 1.00 2.04 H new ATOM 0 HE2 TYR A 65 5.076 5.452 5.206 1.00 2.50 H new ATOM 0 HH TYR A 65 5.423 8.190 7.123 1.00 1.59 H new ATOM 964 N HIS A 66 1.712 8.630 -1.155 1.00 0.83 N ATOM 965 CA HIS A 66 0.880 8.366 -2.355 1.00 0.92 C ATOM 966 C HIS A 66 1.413 7.221 -3.212 1.00 0.87 C ATOM 967 O HIS A 66 2.570 6.816 -3.112 1.00 0.91 O ATOM 968 CB HIS A 66 0.661 9.635 -3.210 1.00 1.34 C ATOM 969 CG HIS A 66 -0.165 10.658 -2.489 1.00 1.18 C ATOM 970 ND1 HIS A 66 0.301 11.601 -1.596 1.00 1.70 N ATOM 971 CD2 HIS A 66 -1.527 10.667 -2.445 1.00 1.98 C ATOM 972 CE1 HIS A 66 -0.770 12.137 -0.970 1.00 1.84 C ATOM 973 NE2 HIS A 66 -1.892 11.583 -1.488 1.00 1.57 N ATOM 0 H HIS A 66 2.712 8.669 -1.350 1.00 0.83 H new ATOM 0 HA HIS A 66 -0.090 8.052 -1.969 1.00 0.92 H new ATOM 0 HB2 HIS A 66 1.627 10.067 -3.473 1.00 1.34 H new ATOM 0 HB3 HIS A 66 0.169 9.363 -4.144 1.00 1.34 H new ATOM 0 HD1 HIS A 66 1.278 11.849 -1.437 1.00 1.70 H new ATOM 0 HD2 HIS A 66 -2.193 10.068 -3.048 1.00 1.98 H new ATOM 0 HE1 HIS A 66 -0.737 12.882 -0.188 1.00 1.84 H new ATOM 982 N ALA A 67 0.563 6.726 -4.110 1.00 0.93 N ATOM 983 CA ALA A 67 0.918 5.738 -5.124 1.00 0.95 C ATOM 984 C ALA A 67 1.686 6.400 -6.288 1.00 0.93 C ATOM 985 O ALA A 67 1.209 7.386 -6.847 1.00 1.06 O ATOM 986 CB ALA A 67 -0.402 5.112 -5.610 1.00 1.03 C ATOM 0 H ALA A 67 -0.416 7.009 -4.153 1.00 0.93 H new ATOM 0 HA ALA A 67 1.578 4.973 -4.714 1.00 0.95 H new ATOM 0 HB1 ALA A 67 -0.190 4.363 -6.373 1.00 1.03 H new ATOM 0 HB2 ALA A 67 -0.912 4.640 -4.770 1.00 1.03 H new ATOM 0 HB3 ALA A 67 -1.040 5.889 -6.032 1.00 1.03 H new ATOM 992 N ARG A 68 2.843 5.846 -6.685 1.00 0.93 N ATOM 993 CA ARG A 68 3.622 6.283 -7.858 1.00 1.00 C ATOM 994 C ARG A 68 4.182 5.096 -8.647 1.00 0.70 C ATOM 995 O ARG A 68 4.799 4.191 -8.097 1.00 0.57 O ATOM 996 CB ARG A 68 4.749 7.264 -7.458 1.00 1.28 C ATOM 997 CG ARG A 68 5.742 6.747 -6.399 1.00 1.40 C ATOM 998 CD ARG A 68 6.877 7.724 -6.050 1.00 2.03 C ATOM 999 NE ARG A 68 8.202 7.141 -6.312 1.00 2.45 N ATOM 1000 CZ ARG A 68 9.266 7.148 -5.512 1.00 3.43 C ATOM 1001 NH1 ARG A 68 9.246 7.509 -4.249 1.00 4.09 N ATOM 1002 NH2 ARG A 68 10.410 6.743 -6.006 1.00 4.33 N ATOM 0 H ARG A 68 3.273 5.065 -6.190 1.00 0.93 H new ATOM 0 HA ARG A 68 2.933 6.815 -8.514 1.00 1.00 H new ATOM 0 HB2 ARG A 68 5.309 7.530 -8.355 1.00 1.28 H new ATOM 0 HB3 ARG A 68 4.292 8.180 -7.084 1.00 1.28 H new ATOM 0 HG2 ARG A 68 5.191 6.512 -5.488 1.00 1.40 H new ATOM 0 HG3 ARG A 68 6.180 5.815 -6.756 1.00 1.40 H new ATOM 0 HD2 ARG A 68 6.761 8.638 -6.632 1.00 2.03 H new ATOM 0 HD3 ARG A 68 6.805 8.004 -4.999 1.00 2.03 H new ATOM 0 HE ARG A 68 8.319 6.677 -7.213 1.00 2.45 H new ATOM 0 HH11 ARG A 68 8.372 7.811 -3.819 1.00 4.09 H new ATOM 0 HH12 ARG A 68 10.105 7.488 -3.699 1.00 4.09 H new ATOM 0 HH21 ARG A 68 10.466 6.435 -6.977 1.00 4.33 H new ATOM 0 HH22 ARG A 68 11.245 6.736 -5.420 1.00 4.33 H new ATOM 1016 N VAL A 69 4.017 5.095 -9.962 1.00 0.96 N ATOM 1017 CA VAL A 69 4.622 4.106 -10.838 1.00 1.09 C ATOM 1018 C VAL A 69 6.130 4.293 -10.930 1.00 1.08 C ATOM 1019 O VAL A 69 6.634 5.418 -10.930 1.00 1.26 O ATOM 1020 CB VAL A 69 3.961 4.153 -12.230 1.00 1.65 C ATOM 1021 CG1 VAL A 69 2.490 3.716 -12.142 1.00 1.51 C ATOM 1022 CG2 VAL A 69 4.057 5.526 -12.923 1.00 2.64 C ATOM 0 H VAL A 69 3.453 5.788 -10.454 1.00 0.96 H new ATOM 0 HA VAL A 69 4.450 3.118 -10.411 1.00 1.09 H new ATOM 0 HB VAL A 69 4.525 3.455 -12.848 1.00 1.65 H new ATOM 0 HG11 VAL A 69 2.039 3.755 -13.133 1.00 1.51 H new ATOM 0 HG12 VAL A 69 2.435 2.697 -11.758 1.00 1.51 H new ATOM 0 HG13 VAL A 69 1.951 4.385 -11.472 1.00 1.51 H new ATOM 0 HG21 VAL A 69 3.569 5.477 -13.896 1.00 2.64 H new ATOM 0 HG22 VAL A 69 3.565 6.279 -12.308 1.00 2.64 H new ATOM 0 HG23 VAL A 69 5.105 5.794 -13.056 1.00 2.64 H new ATOM 1032 N LEU A 70 6.828 3.160 -11.011 1.00 1.19 N ATOM 1033 CA LEU A 70 8.258 3.099 -11.272 1.00 1.44 C ATOM 1034 C LEU A 70 8.515 3.641 -12.687 1.00 1.99 C ATOM 1035 O LEU A 70 8.277 2.959 -13.677 1.00 2.33 O ATOM 1036 CB LEU A 70 8.744 1.648 -11.114 1.00 1.46 C ATOM 1037 CG LEU A 70 8.438 0.982 -9.755 1.00 1.69 C ATOM 1038 CD1 LEU A 70 7.266 -0.001 -9.880 1.00 2.19 C ATOM 1039 CD2 LEU A 70 9.663 0.223 -9.223 1.00 2.36 C ATOM 0 H LEU A 70 6.401 2.241 -10.894 1.00 1.19 H new ATOM 0 HA LEU A 70 8.814 3.710 -10.561 1.00 1.44 H new ATOM 0 HB2 LEU A 70 8.293 1.046 -11.902 1.00 1.46 H new ATOM 0 HB3 LEU A 70 9.822 1.626 -11.274 1.00 1.46 H new ATOM 0 HG LEU A 70 8.175 1.778 -9.058 1.00 1.69 H new ATOM 0 HD11 LEU A 70 7.069 -0.458 -8.910 1.00 2.19 H new ATOM 0 HD12 LEU A 70 6.377 0.533 -10.217 1.00 2.19 H new ATOM 0 HD13 LEU A 70 7.518 -0.778 -10.602 1.00 2.19 H new ATOM 0 HD21 LEU A 70 9.419 -0.236 -8.265 1.00 2.36 H new ATOM 0 HD22 LEU A 70 9.948 -0.552 -9.934 1.00 2.36 H new ATOM 0 HD23 LEU A 70 10.493 0.918 -9.092 1.00 2.36 H new