USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS : no HD1:sc= -1.51! C(o=-0.21!,f=-6.1!) USER MOD Set 1.2: A 52 THR OG1 : rot 176:sc= 1.3 USER MOD Set 2.1: A 6 ASN : amide:sc= -0.101 K(o=-0.88,f=0.13) USER MOD Set 2.2: A 72 GLN : amide:sc= -0.778 K(o=-0.88,f=0.27) USER MOD Set 3.1: A 1 MET N :NH3+ 159:sc= 2.34 (180deg=1.03) USER MOD Set 3.2: A 3 GLN : amide:sc= 1.01 K(o=3.4,f=-6.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.05 K(o=1,f=-2.8!) USER MOD Single : A 12 MET CE :methyl -173:sc= 0 (180deg=-0.023) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0697 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0763 USER MOD Single : A 19 SER OG : rot 69:sc= 1.28 USER MOD Single : A 20 SER OG : rot -23:sc= 0.318 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.441 X(o=0.44,f=-0.013) USER MOD Single : A 33 SER OG : rot 63:sc= 1.26 USER MOD Single : A 34 CYS SG : rot 158:sc= -0.146 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 37 ASN : amide:sc= 0.449 K(o=0.45,f=-4.3!) USER MOD Single : A 42 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.068) USER MOD Single : A 46 SER OG : rot 168:sc= 0.93 USER MOD Single : A 47 TYR OH : rot 163:sc= 0.00583 USER MOD Single : A 51 THR OG1 : rot 16:sc= 0.509 USER MOD Single : A 54 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.5!) USER MOD Single : A 57 THR OG1 : rot 42:sc= 0.889 USER MOD Single : A 65 TYR OH : rot -37:sc= 0.224 USER MOD Single : A 66 HIS : no HE2:sc= 0.337 K(o=1.3,f=-5.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.047 -8.820 -8.237 1.00 7.87 N ATOM 2 CA MET A 1 -10.710 -10.253 -8.098 1.00 7.06 C ATOM 3 C MET A 1 -9.213 -10.482 -8.315 1.00 5.44 C ATOM 4 O MET A 1 -8.772 -10.581 -9.456 1.00 4.86 O ATOM 5 CB MET A 1 -11.516 -11.121 -9.077 1.00 7.64 C ATOM 6 CG MET A 1 -12.989 -11.246 -8.682 1.00 9.09 C ATOM 7 SD MET A 1 -13.983 -12.153 -9.890 1.00 10.08 S ATOM 8 CE MET A 1 -15.583 -12.134 -9.038 1.00 11.85 C ATOM 0 H1 MET A 1 -12.062 -8.720 -8.442 1.00 7.87 H new ATOM 0 H2 MET A 1 -10.822 -8.323 -7.352 1.00 7.87 H new ATOM 0 H3 MET A 1 -10.495 -8.407 -9.016 1.00 7.87 H new ATOM 0 HA MET A 1 -10.973 -10.549 -7.083 1.00 7.06 H new ATOM 0 HB2 MET A 1 -11.448 -10.692 -10.077 1.00 7.64 H new ATOM 0 HB3 MET A 1 -11.072 -12.115 -9.125 1.00 7.64 H new ATOM 0 HG2 MET A 1 -13.057 -11.748 -7.717 1.00 9.09 H new ATOM 0 HG3 MET A 1 -13.409 -10.248 -8.553 1.00 9.09 H new ATOM 0 HE1 MET A 1 -16.324 -12.655 -9.644 1.00 11.85 H new ATOM 0 HE2 MET A 1 -15.488 -12.633 -8.074 1.00 11.85 H new ATOM 0 HE3 MET A 1 -15.900 -11.103 -8.883 1.00 11.85 H new ATOM 20 N ALA A 2 -8.425 -10.579 -7.236 1.00 5.26 N ATOM 21 CA ALA A 2 -7.072 -11.160 -7.175 1.00 3.95 C ATOM 22 C ALA A 2 -5.940 -10.370 -7.872 1.00 2.85 C ATOM 23 O ALA A 2 -4.775 -10.630 -7.575 1.00 3.37 O ATOM 24 CB ALA A 2 -7.126 -12.615 -7.670 1.00 4.32 C ATOM 0 H ALA A 2 -8.731 -10.234 -6.326 1.00 5.26 H new ATOM 0 HA ALA A 2 -6.787 -11.107 -6.124 1.00 3.95 H new ATOM 0 HB1 ALA A 2 -6.128 -13.051 -7.628 1.00 4.32 H new ATOM 0 HB2 ALA A 2 -7.801 -13.190 -7.036 1.00 4.32 H new ATOM 0 HB3 ALA A 2 -7.488 -12.636 -8.698 1.00 4.32 H new ATOM 30 N GLN A 3 -6.235 -9.408 -8.751 1.00 2.15 N ATOM 31 CA GLN A 3 -5.231 -8.598 -9.459 1.00 1.14 C ATOM 32 C GLN A 3 -4.246 -7.895 -8.499 1.00 0.94 C ATOM 33 O GLN A 3 -4.660 -7.376 -7.465 1.00 1.11 O ATOM 34 CB GLN A 3 -5.942 -7.595 -10.392 1.00 1.77 C ATOM 35 CG GLN A 3 -6.875 -6.584 -9.683 1.00 2.35 C ATOM 36 CD GLN A 3 -8.331 -6.700 -10.136 1.00 3.58 C ATOM 37 OE1 GLN A 3 -9.122 -7.445 -9.569 1.00 4.25 O ATOM 38 NE2 GLN A 3 -8.741 -6.007 -11.178 1.00 4.68 N ATOM 0 H GLN A 3 -7.194 -9.163 -8.997 1.00 2.15 H new ATOM 0 HA GLN A 3 -4.619 -9.269 -10.062 1.00 1.14 H new ATOM 0 HB2 GLN A 3 -5.185 -7.040 -10.947 1.00 1.77 H new ATOM 0 HB3 GLN A 3 -6.527 -8.154 -11.123 1.00 1.77 H new ATOM 0 HG2 GLN A 3 -6.821 -6.741 -8.606 1.00 2.35 H new ATOM 0 HG3 GLN A 3 -6.519 -5.572 -9.876 1.00 2.35 H new ATOM 0 HE21 GLN A 3 -8.095 -5.382 -11.661 1.00 4.68 H new ATOM 0 HE22 GLN A 3 -9.704 -6.095 -11.502 1.00 4.68 H new ATOM 47 N THR A 4 -2.944 -7.876 -8.825 1.00 0.85 N ATOM 48 CA THR A 4 -1.913 -7.193 -8.026 1.00 0.79 C ATOM 49 C THR A 4 -1.459 -5.905 -8.695 1.00 0.88 C ATOM 50 O THR A 4 -1.550 -5.744 -9.909 1.00 1.27 O ATOM 51 CB THR A 4 -0.751 -8.144 -7.682 1.00 0.83 C ATOM 52 OG1 THR A 4 0.096 -7.507 -6.760 1.00 0.92 O ATOM 53 CG2 THR A 4 0.090 -8.564 -8.888 1.00 1.12 C ATOM 0 H THR A 4 -2.574 -8.337 -9.656 1.00 0.85 H new ATOM 0 HA THR A 4 -2.355 -6.899 -7.074 1.00 0.79 H new ATOM 0 HB THR A 4 -1.204 -9.049 -7.278 1.00 0.83 H new ATOM 0 HG1 THR A 4 0.839 -8.104 -6.532 1.00 0.92 H new ATOM 0 HG21 THR A 4 0.886 -9.233 -8.561 1.00 1.12 H new ATOM 0 HG22 THR A 4 -0.542 -9.079 -9.611 1.00 1.12 H new ATOM 0 HG23 THR A 4 0.526 -7.680 -9.353 1.00 1.12 H new ATOM 61 N ILE A 5 -0.968 -4.988 -7.867 1.00 0.67 N ATOM 62 CA ILE A 5 -0.380 -3.698 -8.218 1.00 0.71 C ATOM 63 C ILE A 5 0.996 -3.647 -7.550 1.00 0.57 C ATOM 64 O ILE A 5 1.101 -3.928 -6.351 1.00 0.47 O ATOM 65 CB ILE A 5 -1.274 -2.538 -7.709 1.00 0.87 C ATOM 66 CG1 ILE A 5 -2.749 -2.618 -8.175 1.00 1.16 C ATOM 67 CG2 ILE A 5 -0.669 -1.171 -8.081 1.00 0.98 C ATOM 68 CD1 ILE A 5 -2.973 -2.499 -9.688 1.00 1.49 C ATOM 0 H ILE A 5 -0.971 -5.138 -6.858 1.00 0.67 H new ATOM 0 HA ILE A 5 -0.294 -3.589 -9.299 1.00 0.71 H new ATOM 0 HB ILE A 5 -1.295 -2.647 -6.625 1.00 0.87 H new ATOM 0 HG12 ILE A 5 -3.167 -3.566 -7.837 1.00 1.16 H new ATOM 0 HG13 ILE A 5 -3.311 -1.827 -7.679 1.00 1.16 H new ATOM 0 HG21 ILE A 5 -1.315 -0.375 -7.712 1.00 0.98 H new ATOM 0 HG22 ILE A 5 0.318 -1.075 -7.629 1.00 0.98 H new ATOM 0 HG23 ILE A 5 -0.581 -1.095 -9.165 1.00 0.98 H new ATOM 0 HD11 ILE A 5 -4.039 -2.568 -9.905 1.00 1.49 H new ATOM 0 HD12 ILE A 5 -2.593 -1.539 -10.038 1.00 1.49 H new ATOM 0 HD13 ILE A 5 -2.446 -3.305 -10.198 1.00 1.49 H new ATOM 80 N ASN A 6 2.021 -3.262 -8.316 1.00 0.69 N ATOM 81 CA ASN A 6 3.397 -3.062 -7.852 1.00 0.56 C ATOM 82 C ASN A 6 3.943 -1.706 -8.325 1.00 0.49 C ATOM 83 O ASN A 6 3.905 -1.393 -9.520 1.00 0.70 O ATOM 84 CB ASN A 6 4.304 -4.226 -8.294 1.00 0.65 C ATOM 85 CG ASN A 6 4.033 -4.773 -9.697 1.00 0.97 C ATOM 86 OD1 ASN A 6 3.767 -5.951 -9.860 1.00 2.42 O ATOM 87 ND2 ASN A 6 4.048 -3.965 -10.744 1.00 1.21 N ATOM 0 H ASN A 6 1.911 -3.074 -9.313 1.00 0.69 H new ATOM 0 HA ASN A 6 3.390 -3.051 -6.762 1.00 0.56 H new ATOM 0 HB2 ASN A 6 5.341 -3.895 -8.246 1.00 0.65 H new ATOM 0 HB3 ASN A 6 4.196 -5.041 -7.578 1.00 0.65 H new ATOM 0 HD21 ASN A 6 3.839 -4.330 -11.673 1.00 1.21 H new ATOM 0 HD22 ASN A 6 4.269 -2.977 -10.622 1.00 1.21 H new ATOM 94 N LEU A 7 4.447 -0.904 -7.383 1.00 0.47 N ATOM 95 CA LEU A 7 4.784 0.513 -7.559 1.00 0.49 C ATOM 96 C LEU A 7 5.762 0.994 -6.472 1.00 0.46 C ATOM 97 O LEU A 7 6.129 0.230 -5.589 1.00 0.46 O ATOM 98 CB LEU A 7 3.479 1.342 -7.645 1.00 0.54 C ATOM 99 CG LEU A 7 2.726 1.657 -6.328 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.402 2.340 -6.689 1.00 0.56 C ATOM 101 CD2 LEU A 7 2.419 0.434 -5.453 1.00 0.53 C ATOM 0 H LEU A 7 4.640 -1.237 -6.438 1.00 0.47 H new ATOM 0 HA LEU A 7 5.317 0.657 -8.499 1.00 0.49 H new ATOM 0 HB2 LEU A 7 3.717 2.290 -8.128 1.00 0.54 H new ATOM 0 HB3 LEU A 7 2.791 0.813 -8.304 1.00 0.54 H new ATOM 0 HG LEU A 7 3.387 2.292 -5.738 1.00 0.51 H new ATOM 0 HD11 LEU A 7 0.852 2.572 -5.777 1.00 0.56 H new ATOM 0 HD12 LEU A 7 1.605 3.261 -7.235 1.00 0.56 H new ATOM 0 HD13 LEU A 7 0.806 1.673 -7.312 1.00 0.56 H new ATOM 0 HD21 LEU A 7 1.891 0.753 -4.554 1.00 0.53 H new ATOM 0 HD22 LEU A 7 1.796 -0.265 -6.011 1.00 0.53 H new ATOM 0 HD23 LEU A 7 3.351 -0.055 -5.172 1.00 0.53 H new ATOM 113 N GLN A 8 6.196 2.247 -6.538 1.00 0.47 N ATOM 114 CA GLN A 8 6.936 2.960 -5.501 1.00 0.46 C ATOM 115 C GLN A 8 6.018 3.873 -4.687 1.00 0.45 C ATOM 116 O GLN A 8 4.894 4.198 -5.080 1.00 0.51 O ATOM 117 CB GLN A 8 8.078 3.759 -6.139 1.00 0.51 C ATOM 118 CG GLN A 8 9.297 2.873 -6.398 1.00 0.58 C ATOM 119 CD GLN A 8 10.297 3.601 -7.294 1.00 0.72 C ATOM 120 OE1 GLN A 8 10.434 3.304 -8.472 1.00 0.96 O ATOM 121 NE2 GLN A 8 10.966 4.628 -6.816 1.00 0.98 N ATOM 0 H GLN A 8 6.032 2.826 -7.362 1.00 0.47 H new ATOM 0 HA GLN A 8 7.357 2.229 -4.811 1.00 0.46 H new ATOM 0 HB2 GLN A 8 7.738 4.198 -7.077 1.00 0.51 H new ATOM 0 HB3 GLN A 8 8.358 4.584 -5.484 1.00 0.51 H new ATOM 0 HG2 GLN A 8 9.770 2.608 -5.453 1.00 0.58 H new ATOM 0 HG3 GLN A 8 8.985 1.942 -6.871 1.00 0.58 H new ATOM 0 HE21 GLN A 8 10.865 4.891 -5.836 1.00 0.98 H new ATOM 0 HE22 GLN A 8 11.586 5.161 -7.426 1.00 0.98 H new ATOM 130 N LEU A 9 6.515 4.289 -3.526 1.00 0.46 N ATOM 131 CA LEU A 9 5.734 4.989 -2.520 1.00 0.48 C ATOM 132 C LEU A 9 6.381 6.343 -2.191 1.00 0.57 C ATOM 133 O LEU A 9 7.576 6.455 -1.930 1.00 0.88 O ATOM 134 CB LEU A 9 5.585 4.027 -1.329 1.00 0.52 C ATOM 135 CG LEU A 9 4.591 4.524 -0.269 1.00 0.96 C ATOM 136 CD1 LEU A 9 3.928 3.332 0.430 1.00 1.87 C ATOM 137 CD2 LEU A 9 5.300 5.366 0.800 1.00 1.94 C ATOM 0 H LEU A 9 7.488 4.145 -3.257 1.00 0.46 H new ATOM 0 HA LEU A 9 4.733 5.251 -2.864 1.00 0.48 H new ATOM 0 HB2 LEU A 9 5.259 3.054 -1.695 1.00 0.52 H new ATOM 0 HB3 LEU A 9 6.560 3.882 -0.864 1.00 0.52 H new ATOM 0 HG LEU A 9 3.845 5.133 -0.779 1.00 0.96 H new ATOM 0 HD11 LEU A 9 3.225 3.695 1.180 1.00 1.87 H new ATOM 0 HD12 LEU A 9 3.395 2.729 -0.305 1.00 1.87 H new ATOM 0 HD13 LEU A 9 4.692 2.723 0.913 1.00 1.87 H new ATOM 0 HD21 LEU A 9 4.573 5.705 1.538 1.00 1.94 H new ATOM 0 HD22 LEU A 9 6.062 4.762 1.293 1.00 1.94 H new ATOM 0 HD23 LEU A 9 5.770 6.230 0.330 1.00 1.94 H new ATOM 149 N GLU A 10 5.551 7.377 -2.247 1.00 0.58 N ATOM 150 CA GLU A 10 5.881 8.793 -2.163 1.00 0.74 C ATOM 151 C GLU A 10 5.804 9.243 -0.695 1.00 0.65 C ATOM 152 O GLU A 10 4.997 8.745 0.093 1.00 0.77 O ATOM 153 CB GLU A 10 4.878 9.533 -3.065 1.00 1.13 C ATOM 154 CG GLU A 10 5.195 10.958 -3.521 1.00 1.90 C ATOM 155 CD GLU A 10 5.237 11.929 -2.354 1.00 3.27 C ATOM 156 OE1 GLU A 10 4.159 12.130 -1.745 1.00 4.59 O ATOM 157 OE2 GLU A 10 6.371 12.381 -2.075 1.00 4.16 O ATOM 0 H GLU A 10 4.548 7.234 -2.362 1.00 0.58 H new ATOM 0 HA GLU A 10 6.894 9.010 -2.502 1.00 0.74 H new ATOM 0 HB2 GLU A 10 4.732 8.927 -3.959 1.00 1.13 H new ATOM 0 HB3 GLU A 10 3.923 9.561 -2.540 1.00 1.13 H new ATOM 0 HG2 GLU A 10 6.155 10.969 -4.037 1.00 1.90 H new ATOM 0 HG3 GLU A 10 4.443 11.285 -4.239 1.00 1.90 H new ATOM 164 N GLY A 11 6.703 10.145 -0.313 1.00 1.11 N ATOM 165 CA GLY A 11 6.958 10.593 1.045 1.00 1.36 C ATOM 166 C GLY A 11 7.885 9.604 1.726 1.00 1.38 C ATOM 167 O GLY A 11 9.003 9.959 2.101 1.00 2.27 O ATOM 0 H GLY A 11 7.309 10.610 -0.989 1.00 1.11 H new ATOM 0 HA2 GLY A 11 7.408 11.586 1.036 1.00 1.36 H new ATOM 0 HA3 GLY A 11 6.022 10.673 1.597 1.00 1.36 H new ATOM 171 N MET A 12 7.402 8.368 1.850 1.00 1.03 N ATOM 172 CA MET A 12 7.890 7.301 2.749 1.00 1.06 C ATOM 173 C MET A 12 8.540 7.852 4.047 1.00 1.23 C ATOM 174 O MET A 12 8.046 8.838 4.601 1.00 2.92 O ATOM 175 CB MET A 12 8.702 6.267 1.932 1.00 1.47 C ATOM 176 CG MET A 12 10.072 6.726 1.406 1.00 2.52 C ATOM 177 SD MET A 12 11.503 6.083 2.316 1.00 3.47 S ATOM 178 CE MET A 12 11.540 4.376 1.718 1.00 3.65 C ATOM 0 H MET A 12 6.607 8.056 1.292 1.00 1.03 H new ATOM 0 HA MET A 12 7.050 6.741 3.160 1.00 1.06 H new ATOM 0 HB2 MET A 12 8.854 5.385 2.554 1.00 1.47 H new ATOM 0 HB3 MET A 12 8.097 5.955 1.080 1.00 1.47 H new ATOM 0 HG2 MET A 12 10.161 6.427 0.362 1.00 2.52 H new ATOM 0 HG3 MET A 12 10.106 7.815 1.430 1.00 2.52 H new ATOM 0 HE1 MET A 12 12.287 3.811 2.276 1.00 3.65 H new ATOM 0 HE2 MET A 12 10.560 3.920 1.859 1.00 3.65 H new ATOM 0 HE3 MET A 12 11.795 4.367 0.658 1.00 3.65 H new ATOM 188 N ARG A 13 9.658 7.274 4.525 1.00 1.47 N ATOM 189 CA ARG A 13 10.664 7.951 5.379 1.00 1.59 C ATOM 190 C ARG A 13 10.260 8.031 6.869 1.00 1.36 C ATOM 191 O ARG A 13 9.092 7.901 7.227 1.00 2.87 O ATOM 192 CB ARG A 13 10.910 9.360 4.800 1.00 2.13 C ATOM 193 CG ARG A 13 12.199 10.111 5.144 1.00 2.92 C ATOM 194 CD ARG A 13 12.110 11.541 4.575 1.00 3.24 C ATOM 195 NE ARG A 13 11.089 12.357 5.273 1.00 3.95 N ATOM 196 CZ ARG A 13 9.839 12.612 4.879 1.00 4.78 C ATOM 197 NH1 ARG A 13 9.337 12.187 3.738 1.00 4.82 N ATOM 198 NH2 ARG A 13 9.050 13.303 5.673 1.00 6.46 N ATOM 0 H ARG A 13 9.896 6.302 4.326 1.00 1.47 H new ATOM 0 HA ARG A 13 11.577 7.356 5.364 1.00 1.59 H new ATOM 0 HB2 ARG A 13 10.862 9.278 3.714 1.00 2.13 H new ATOM 0 HB3 ARG A 13 10.075 9.989 5.110 1.00 2.13 H new ATOM 0 HG2 ARG A 13 12.340 10.143 6.224 1.00 2.92 H new ATOM 0 HG3 ARG A 13 13.061 9.592 4.726 1.00 2.92 H new ATOM 0 HD2 ARG A 13 13.082 12.026 4.662 1.00 3.24 H new ATOM 0 HD3 ARG A 13 11.871 11.494 3.513 1.00 3.24 H new ATOM 0 HE ARG A 13 11.375 12.773 6.159 1.00 3.95 H new ATOM 0 HH11 ARG A 13 9.911 11.632 3.103 1.00 4.82 H new ATOM 0 HH12 ARG A 13 8.374 12.413 3.489 1.00 4.82 H new ATOM 0 HH21 ARG A 13 9.396 13.635 6.573 1.00 6.46 H new ATOM 0 HH22 ARG A 13 8.092 13.507 5.388 1.00 6.46 H new ATOM 212 N CYS A 14 11.242 8.259 7.750 1.00 1.80 N ATOM 213 CA CYS A 14 11.112 8.681 9.162 1.00 2.02 C ATOM 214 C CYS A 14 10.633 7.598 10.148 1.00 2.39 C ATOM 215 O CYS A 14 11.181 7.531 11.242 1.00 4.10 O ATOM 216 CB CYS A 14 10.239 9.951 9.271 1.00 2.32 C ATOM 217 SG CYS A 14 11.078 11.373 8.505 1.00 4.02 S ATOM 0 H CYS A 14 12.220 8.147 7.482 1.00 1.80 H new ATOM 0 HA CYS A 14 12.133 8.896 9.478 1.00 2.02 H new ATOM 0 HB2 CYS A 14 9.279 9.782 8.783 1.00 2.32 H new ATOM 0 HB3 CYS A 14 10.030 10.166 10.319 1.00 2.32 H new ATOM 0 HG CYS A 14 10.325 12.428 8.607 1.00 4.02 H new ATOM 223 N ALA A 15 9.650 6.764 9.797 1.00 1.73 N ATOM 224 CA ALA A 15 9.052 5.781 10.705 1.00 2.26 C ATOM 225 C ALA A 15 8.273 4.698 9.941 1.00 1.85 C ATOM 226 O ALA A 15 7.966 4.855 8.760 1.00 2.64 O ATOM 227 CB ALA A 15 8.151 6.512 11.714 1.00 3.30 C ATOM 0 H ALA A 15 9.242 6.752 8.862 1.00 1.73 H new ATOM 0 HA ALA A 15 9.850 5.267 11.241 1.00 2.26 H new ATOM 0 HB1 ALA A 15 7.702 5.787 12.393 1.00 3.30 H new ATOM 0 HB2 ALA A 15 8.747 7.224 12.285 1.00 3.30 H new ATOM 0 HB3 ALA A 15 7.364 7.044 11.180 1.00 3.30 H new ATOM 233 N ALA A 16 7.889 3.624 10.637 1.00 1.74 N ATOM 234 CA ALA A 16 7.226 2.432 10.081 1.00 2.13 C ATOM 235 C ALA A 16 5.801 2.658 9.512 1.00 1.56 C ATOM 236 O ALA A 16 5.093 1.694 9.217 1.00 1.55 O ATOM 237 CB ALA A 16 7.254 1.337 11.160 1.00 3.21 C ATOM 0 H ALA A 16 8.036 3.555 11.644 1.00 1.74 H new ATOM 0 HA ALA A 16 7.786 2.130 9.196 1.00 2.13 H new ATOM 0 HB1 ALA A 16 6.769 0.438 10.779 1.00 3.21 H new ATOM 0 HB2 ALA A 16 8.288 1.109 11.420 1.00 3.21 H new ATOM 0 HB3 ALA A 16 6.725 1.686 12.047 1.00 3.21 H new ATOM 243 N CYS A 17 5.365 3.907 9.314 1.00 1.22 N ATOM 244 CA CYS A 17 4.065 4.311 8.776 1.00 0.91 C ATOM 245 C CYS A 17 3.736 3.673 7.414 1.00 0.70 C ATOM 246 O CYS A 17 2.564 3.531 7.084 1.00 0.73 O ATOM 247 CB CYS A 17 4.071 5.847 8.692 1.00 1.14 C ATOM 248 SG CYS A 17 4.417 6.574 10.322 1.00 2.12 S ATOM 0 H CYS A 17 5.949 4.712 9.540 1.00 1.22 H new ATOM 0 HA CYS A 17 3.278 3.953 9.440 1.00 0.91 H new ATOM 0 HB2 CYS A 17 4.823 6.175 7.974 1.00 1.14 H new ATOM 0 HB3 CYS A 17 3.107 6.201 8.327 1.00 1.14 H new ATOM 0 HG CYS A 17 4.420 7.871 10.227 1.00 2.12 H new ATOM 254 N ALA A 18 4.743 3.223 6.658 1.00 0.82 N ATOM 255 CA ALA A 18 4.554 2.415 5.452 1.00 0.91 C ATOM 256 C ALA A 18 4.070 0.987 5.762 1.00 0.83 C ATOM 257 O ALA A 18 3.105 0.531 5.168 1.00 0.81 O ATOM 258 CB ALA A 18 5.868 2.411 4.669 1.00 1.31 C ATOM 0 H ALA A 18 5.723 3.413 6.870 1.00 0.82 H new ATOM 0 HA ALA A 18 3.762 2.860 4.849 1.00 0.91 H new ATOM 0 HB1 ALA A 18 5.751 1.814 3.765 1.00 1.31 H new ATOM 0 HB2 ALA A 18 6.133 3.433 4.397 1.00 1.31 H new ATOM 0 HB3 ALA A 18 6.658 1.983 5.286 1.00 1.31 H new ATOM 264 N SER A 19 4.650 0.283 6.734 1.00 0.91 N ATOM 265 CA SER A 19 4.132 -1.036 7.154 1.00 0.93 C ATOM 266 C SER A 19 2.785 -0.907 7.903 1.00 0.79 C ATOM 267 O SER A 19 1.924 -1.787 7.860 1.00 0.82 O ATOM 268 CB SER A 19 5.189 -1.776 7.979 1.00 1.19 C ATOM 269 OG SER A 19 4.840 -3.137 8.139 1.00 1.70 O ATOM 0 H SER A 19 5.474 0.594 7.248 1.00 0.91 H new ATOM 0 HA SER A 19 3.927 -1.630 6.263 1.00 0.93 H new ATOM 0 HB2 SER A 19 6.159 -1.700 7.487 1.00 1.19 H new ATOM 0 HB3 SER A 19 5.289 -1.304 8.957 1.00 1.19 H new ATOM 0 HG SER A 19 4.916 -3.598 7.277 1.00 1.70 H new ATOM 275 N SER A 20 2.508 0.267 8.482 1.00 0.72 N ATOM 276 CA SER A 20 1.153 0.620 8.944 1.00 0.69 C ATOM 277 C SER A 20 0.090 0.691 7.814 1.00 0.55 C ATOM 278 O SER A 20 -1.113 0.775 8.111 1.00 0.58 O ATOM 279 CB SER A 20 1.186 1.936 9.732 1.00 0.79 C ATOM 280 OG SER A 20 -0.077 2.206 10.312 1.00 1.20 O ATOM 0 H SER A 20 3.205 0.994 8.644 1.00 0.72 H new ATOM 0 HA SER A 20 0.838 -0.197 9.593 1.00 0.69 H new ATOM 0 HB2 SER A 20 1.945 1.879 10.512 1.00 0.79 H new ATOM 0 HB3 SER A 20 1.470 2.754 9.070 1.00 0.79 H new ATOM 0 HG SER A 20 -0.775 1.735 9.810 1.00 1.20 H new ATOM 286 N ILE A 21 0.490 0.679 6.533 1.00 0.51 N ATOM 287 CA ILE A 21 -0.404 0.399 5.395 1.00 0.50 C ATOM 288 C ILE A 21 -0.768 -1.084 5.405 1.00 0.51 C ATOM 289 O ILE A 21 -1.939 -1.425 5.561 1.00 0.57 O ATOM 290 CB ILE A 21 0.238 0.819 4.047 1.00 0.63 C ATOM 291 CG1 ILE A 21 0.576 2.328 4.054 1.00 0.65 C ATOM 292 CG2 ILE A 21 -0.673 0.394 2.886 1.00 0.78 C ATOM 293 CD1 ILE A 21 1.356 2.809 2.834 1.00 0.93 C ATOM 0 H ILE A 21 1.453 0.865 6.254 1.00 0.51 H new ATOM 0 HA ILE A 21 -1.313 0.992 5.500 1.00 0.50 H new ATOM 0 HB ILE A 21 1.188 0.303 3.905 1.00 0.63 H new ATOM 0 HG12 ILE A 21 -0.353 2.895 4.122 1.00 0.65 H new ATOM 0 HG13 ILE A 21 1.154 2.554 4.950 1.00 0.65 H new ATOM 0 HG21 ILE A 21 -0.219 0.690 1.940 1.00 0.78 H new ATOM 0 HG22 ILE A 21 -0.803 -0.688 2.903 1.00 0.78 H new ATOM 0 HG23 ILE A 21 -1.644 0.878 2.990 1.00 0.78 H new ATOM 0 HD11 ILE A 21 1.549 3.878 2.924 1.00 0.93 H new ATOM 0 HD12 ILE A 21 2.303 2.273 2.773 1.00 0.93 H new ATOM 0 HD13 ILE A 21 0.774 2.620 1.932 1.00 0.93 H new ATOM 305 N GLU A 22 0.238 -1.955 5.305 1.00 0.52 N ATOM 306 CA GLU A 22 0.085 -3.405 5.152 1.00 0.58 C ATOM 307 C GLU A 22 -0.896 -3.990 6.175 1.00 0.60 C ATOM 308 O GLU A 22 -1.864 -4.650 5.800 1.00 0.60 O ATOM 309 CB GLU A 22 1.452 -4.084 5.315 1.00 0.66 C ATOM 310 CG GLU A 22 2.508 -3.577 4.324 1.00 0.71 C ATOM 311 CD GLU A 22 3.841 -4.247 4.620 1.00 0.79 C ATOM 312 OE1 GLU A 22 4.336 -4.025 5.747 1.00 1.85 O ATOM 313 OE2 GLU A 22 4.376 -4.923 3.711 1.00 1.87 O ATOM 0 H GLU A 22 1.215 -1.662 5.329 1.00 0.52 H new ATOM 0 HA GLU A 22 -0.318 -3.592 4.157 1.00 0.58 H new ATOM 0 HB2 GLU A 22 1.811 -3.921 6.331 1.00 0.66 H new ATOM 0 HB3 GLU A 22 1.332 -5.160 5.188 1.00 0.66 H new ATOM 0 HG2 GLU A 22 2.198 -3.795 3.302 1.00 0.71 H new ATOM 0 HG3 GLU A 22 2.607 -2.494 4.403 1.00 0.71 H new ATOM 320 N ARG A 23 -0.705 -3.670 7.461 1.00 0.65 N ATOM 321 CA ARG A 23 -1.517 -4.166 8.580 1.00 0.76 C ATOM 322 C ARG A 23 -2.958 -3.629 8.587 1.00 0.77 C ATOM 323 O ARG A 23 -3.814 -4.177 9.283 1.00 0.84 O ATOM 324 CB ARG A 23 -0.778 -3.808 9.880 1.00 0.87 C ATOM 325 CG ARG A 23 -1.292 -4.513 11.148 1.00 1.06 C ATOM 326 CD ARG A 23 -1.296 -6.046 11.049 1.00 1.94 C ATOM 327 NE ARG A 23 -1.453 -6.655 12.384 1.00 2.05 N ATOM 328 CZ ARG A 23 -2.082 -7.780 12.704 1.00 2.93 C ATOM 329 NH1 ARG A 23 -2.721 -8.533 11.832 1.00 4.50 N ATOM 330 NH2 ARG A 23 -2.072 -8.184 13.958 1.00 2.89 N ATOM 0 H ARG A 23 0.040 -3.041 7.761 1.00 0.65 H new ATOM 0 HA ARG A 23 -1.630 -5.245 8.477 1.00 0.76 H new ATOM 0 HB2 ARG A 23 0.278 -4.047 9.755 1.00 0.87 H new ATOM 0 HB3 ARG A 23 -0.845 -2.731 10.031 1.00 0.87 H new ATOM 0 HG2 ARG A 23 -0.673 -4.215 11.994 1.00 1.06 H new ATOM 0 HG3 ARG A 23 -2.305 -4.169 11.358 1.00 1.06 H new ATOM 0 HD2 ARG A 23 -2.107 -6.371 10.398 1.00 1.94 H new ATOM 0 HD3 ARG A 23 -0.366 -6.388 10.595 1.00 1.94 H new ATOM 0 HE ARG A 23 -1.024 -6.148 13.158 1.00 2.05 H new ATOM 0 HH11 ARG A 23 -2.751 -8.262 10.849 1.00 4.50 H new ATOM 0 HH12 ARG A 23 -3.186 -9.387 12.140 1.00 4.50 H new ATOM 0 HH21 ARG A 23 -1.586 -7.635 14.667 1.00 2.89 H new ATOM 0 HH22 ARG A 23 -2.550 -9.046 14.220 1.00 2.89 H new ATOM 344 N ALA A 24 -3.230 -2.549 7.851 1.00 0.74 N ATOM 345 CA ALA A 24 -4.579 -2.042 7.596 1.00 0.78 C ATOM 346 C ALA A 24 -5.226 -2.717 6.370 1.00 0.72 C ATOM 347 O ALA A 24 -6.373 -3.146 6.460 1.00 0.81 O ATOM 348 CB ALA A 24 -4.520 -0.512 7.460 1.00 0.82 C ATOM 0 H ALA A 24 -2.502 -1.991 7.406 1.00 0.74 H new ATOM 0 HA ALA A 24 -5.222 -2.293 8.440 1.00 0.78 H new ATOM 0 HB1 ALA A 24 -5.521 -0.125 7.270 1.00 0.82 H new ATOM 0 HB2 ALA A 24 -4.133 -0.079 8.383 1.00 0.82 H new ATOM 0 HB3 ALA A 24 -3.864 -0.245 6.631 1.00 0.82 H new ATOM 354 N ILE A 25 -4.490 -2.893 5.264 1.00 0.62 N ATOM 355 CA ILE A 25 -4.980 -3.621 4.072 1.00 0.63 C ATOM 356 C ILE A 25 -5.209 -5.103 4.392 1.00 0.60 C ATOM 357 O ILE A 25 -6.157 -5.694 3.884 1.00 0.66 O ATOM 358 CB ILE A 25 -4.045 -3.439 2.852 1.00 0.68 C ATOM 359 CG1 ILE A 25 -3.887 -1.948 2.473 1.00 0.68 C ATOM 360 CG2 ILE A 25 -4.623 -4.226 1.658 1.00 0.89 C ATOM 361 CD1 ILE A 25 -2.867 -1.704 1.352 1.00 0.95 C ATOM 0 H ILE A 25 -3.539 -2.538 5.165 1.00 0.62 H new ATOM 0 HA ILE A 25 -5.940 -3.185 3.796 1.00 0.63 H new ATOM 0 HB ILE A 25 -3.057 -3.818 3.112 1.00 0.68 H new ATOM 0 HG12 ILE A 25 -4.856 -1.556 2.163 1.00 0.68 H new ATOM 0 HG13 ILE A 25 -3.584 -1.387 3.357 1.00 0.68 H new ATOM 0 HG21 ILE A 25 -3.972 -4.105 0.793 1.00 0.89 H new ATOM 0 HG22 ILE A 25 -4.689 -5.283 1.917 1.00 0.89 H new ATOM 0 HG23 ILE A 25 -5.617 -3.848 1.420 1.00 0.89 H new ATOM 0 HD11 ILE A 25 -2.809 -0.637 1.139 1.00 0.95 H new ATOM 0 HD12 ILE A 25 -1.888 -2.065 1.666 1.00 0.95 H new ATOM 0 HD13 ILE A 25 -3.179 -2.237 0.454 1.00 0.95 H new ATOM 373 N ALA A 26 -4.463 -5.657 5.351 1.00 0.57 N ATOM 374 CA ALA A 26 -4.713 -6.950 6.004 1.00 0.57 C ATOM 375 C ALA A 26 -6.127 -7.118 6.618 1.00 0.63 C ATOM 376 O ALA A 26 -6.423 -8.159 7.197 1.00 0.78 O ATOM 377 CB ALA A 26 -3.613 -7.164 7.055 1.00 0.62 C ATOM 0 H ALA A 26 -3.628 -5.196 5.712 1.00 0.57 H new ATOM 0 HA ALA A 26 -4.682 -7.718 5.231 1.00 0.57 H new ATOM 0 HB1 ALA A 26 -3.771 -8.118 7.558 1.00 0.62 H new ATOM 0 HB2 ALA A 26 -2.639 -7.169 6.566 1.00 0.62 H new ATOM 0 HB3 ALA A 26 -3.647 -6.357 7.787 1.00 0.62 H new ATOM 383 N LYS A 27 -6.995 -6.104 6.533 1.00 0.65 N ATOM 384 CA LYS A 27 -8.428 -6.173 6.851 1.00 0.74 C ATOM 385 C LYS A 27 -9.360 -6.103 5.618 1.00 0.74 C ATOM 386 O LYS A 27 -10.567 -6.258 5.780 1.00 0.81 O ATOM 387 CB LYS A 27 -8.777 -5.048 7.824 1.00 0.85 C ATOM 388 CG LYS A 27 -7.883 -5.070 9.072 1.00 1.04 C ATOM 389 CD LYS A 27 -8.511 -4.147 10.105 1.00 1.60 C ATOM 390 CE LYS A 27 -7.480 -3.715 11.152 1.00 1.88 C ATOM 391 NZ LYS A 27 -8.090 -2.798 12.147 1.00 3.02 N ATOM 0 H LYS A 27 -6.708 -5.174 6.228 1.00 0.65 H new ATOM 0 HA LYS A 27 -8.599 -7.153 7.296 1.00 0.74 H new ATOM 0 HB2 LYS A 27 -8.673 -4.087 7.320 1.00 0.85 H new ATOM 0 HB3 LYS A 27 -9.821 -5.139 8.124 1.00 0.85 H new ATOM 0 HG2 LYS A 27 -7.799 -6.083 9.465 1.00 1.04 H new ATOM 0 HG3 LYS A 27 -6.874 -4.739 8.826 1.00 1.04 H new ATOM 0 HD2 LYS A 27 -8.923 -3.267 9.610 1.00 1.60 H new ATOM 0 HD3 LYS A 27 -9.342 -4.655 10.595 1.00 1.60 H new ATOM 0 HE2 LYS A 27 -7.079 -4.593 11.658 1.00 1.88 H new ATOM 0 HE3 LYS A 27 -6.642 -3.220 10.661 1.00 1.88 H new ATOM 0 HZ1 LYS A 27 -7.373 -2.518 12.847 1.00 3.02 H new ATOM 0 HZ2 LYS A 27 -8.451 -1.951 11.663 1.00 3.02 H new ATOM 0 HZ3 LYS A 27 -8.874 -3.281 12.629 1.00 3.02 H new ATOM 405 N VAL A 28 -8.837 -5.827 4.420 1.00 0.72 N ATOM 406 CA VAL A 28 -9.604 -5.693 3.170 1.00 0.80 C ATOM 407 C VAL A 28 -9.880 -7.108 2.657 1.00 0.85 C ATOM 408 O VAL A 28 -8.925 -7.877 2.532 1.00 0.74 O ATOM 409 CB VAL A 28 -8.845 -4.831 2.115 1.00 0.79 C ATOM 410 CG1 VAL A 28 -9.580 -4.772 0.766 1.00 1.08 C ATOM 411 CG2 VAL A 28 -8.653 -3.394 2.629 1.00 1.02 C ATOM 0 H VAL A 28 -7.836 -5.685 4.285 1.00 0.72 H new ATOM 0 HA VAL A 28 -10.541 -5.168 3.355 1.00 0.80 H new ATOM 0 HB VAL A 28 -7.880 -5.314 1.962 1.00 0.79 H new ATOM 0 HG11 VAL A 28 -9.010 -4.160 0.067 1.00 1.08 H new ATOM 0 HG12 VAL A 28 -9.684 -5.780 0.364 1.00 1.08 H new ATOM 0 HG13 VAL A 28 -10.568 -4.335 0.909 1.00 1.08 H new ATOM 0 HG21 VAL A 28 -8.122 -2.807 1.880 1.00 1.02 H new ATOM 0 HG22 VAL A 28 -9.627 -2.943 2.820 1.00 1.02 H new ATOM 0 HG23 VAL A 28 -8.074 -3.412 3.553 1.00 1.02 H new ATOM 421 N PRO A 29 -11.141 -7.480 2.356 1.00 1.09 N ATOM 422 CA PRO A 29 -11.497 -8.866 2.058 1.00 1.27 C ATOM 423 C PRO A 29 -10.811 -9.401 0.794 1.00 1.29 C ATOM 424 O PRO A 29 -10.703 -10.609 0.607 1.00 2.46 O ATOM 425 CB PRO A 29 -13.025 -8.891 1.941 1.00 1.55 C ATOM 426 CG PRO A 29 -13.383 -7.452 1.574 1.00 1.55 C ATOM 427 CD PRO A 29 -12.334 -6.645 2.336 1.00 1.26 C ATOM 0 HA PRO A 29 -11.149 -9.529 2.850 1.00 1.27 H new ATOM 0 HB2 PRO A 29 -13.357 -9.594 1.177 1.00 1.55 H new ATOM 0 HB3 PRO A 29 -13.494 -9.194 2.877 1.00 1.55 H new ATOM 0 HG2 PRO A 29 -13.324 -7.281 0.499 1.00 1.55 H new ATOM 0 HG3 PRO A 29 -14.396 -7.195 1.883 1.00 1.55 H new ATOM 0 HD2 PRO A 29 -12.138 -5.692 1.844 1.00 1.26 H new ATOM 0 HD3 PRO A 29 -12.672 -6.418 3.347 1.00 1.26 H new ATOM 435 N GLY A 30 -10.292 -8.506 -0.053 1.00 0.73 N ATOM 436 CA GLY A 30 -9.525 -8.846 -1.243 1.00 0.83 C ATOM 437 C GLY A 30 -8.029 -9.051 -1.043 1.00 0.62 C ATOM 438 O GLY A 30 -7.366 -9.343 -2.035 1.00 0.67 O ATOM 0 H GLY A 30 -10.400 -7.500 0.079 1.00 0.73 H new ATOM 0 HA2 GLY A 30 -9.942 -9.758 -1.670 1.00 0.83 H new ATOM 0 HA3 GLY A 30 -9.667 -8.055 -1.980 1.00 0.83 H new ATOM 442 N VAL A 31 -7.485 -8.849 0.160 1.00 0.52 N ATOM 443 CA VAL A 31 -6.041 -8.977 0.431 1.00 0.47 C ATOM 444 C VAL A 31 -5.617 -10.433 0.206 1.00 0.51 C ATOM 445 O VAL A 31 -6.064 -11.342 0.902 1.00 0.71 O ATOM 446 CB VAL A 31 -5.673 -8.451 1.839 1.00 0.53 C ATOM 447 CG1 VAL A 31 -6.156 -9.304 3.027 1.00 0.97 C ATOM 448 CG2 VAL A 31 -4.154 -8.240 1.959 1.00 0.72 C ATOM 0 H VAL A 31 -8.032 -8.591 0.981 1.00 0.52 H new ATOM 0 HA VAL A 31 -5.483 -8.349 -0.264 1.00 0.47 H new ATOM 0 HB VAL A 31 -6.216 -7.509 1.914 1.00 0.53 H new ATOM 0 HG11 VAL A 31 -5.841 -8.839 3.961 1.00 0.97 H new ATOM 0 HG12 VAL A 31 -7.244 -9.375 3.006 1.00 0.97 H new ATOM 0 HG13 VAL A 31 -5.726 -10.303 2.956 1.00 0.97 H new ATOM 0 HG21 VAL A 31 -3.916 -7.870 2.956 1.00 0.72 H new ATOM 0 HG22 VAL A 31 -3.641 -9.187 1.791 1.00 0.72 H new ATOM 0 HG23 VAL A 31 -3.828 -7.513 1.215 1.00 0.72 H new ATOM 458 N GLN A 32 -4.749 -10.657 -0.779 1.00 0.50 N ATOM 459 CA GLN A 32 -3.988 -11.910 -0.856 1.00 0.57 C ATOM 460 C GLN A 32 -2.702 -11.810 -0.042 1.00 0.74 C ATOM 461 O GLN A 32 -2.315 -12.792 0.577 1.00 1.22 O ATOM 462 CB GLN A 32 -3.728 -12.329 -2.310 1.00 1.01 C ATOM 463 CG GLN A 32 -2.850 -11.359 -3.115 1.00 1.51 C ATOM 464 CD GLN A 32 -1.350 -11.671 -3.133 1.00 2.28 C ATOM 465 OE1 GLN A 32 -0.924 -12.695 -3.636 1.00 2.91 O ATOM 466 NE2 GLN A 32 -0.475 -10.807 -2.651 1.00 2.87 N ATOM 0 H GLN A 32 -4.554 -9.996 -1.531 1.00 0.50 H new ATOM 0 HA GLN A 32 -4.593 -12.701 -0.414 1.00 0.57 H new ATOM 0 HB2 GLN A 32 -3.255 -13.311 -2.311 1.00 1.01 H new ATOM 0 HB3 GLN A 32 -4.686 -12.437 -2.819 1.00 1.01 H new ATOM 0 HG2 GLN A 32 -3.210 -11.342 -4.144 1.00 1.51 H new ATOM 0 HG3 GLN A 32 -2.988 -10.355 -2.712 1.00 1.51 H new ATOM 0 HE21 GLN A 32 -0.798 -9.939 -2.223 1.00 2.87 H new ATOM 0 HE22 GLN A 32 0.524 -11.008 -2.707 1.00 2.87 H new ATOM 475 N SER A 33 -2.073 -10.630 0.008 1.00 0.64 N ATOM 476 CA SER A 33 -0.894 -10.289 0.819 1.00 0.90 C ATOM 477 C SER A 33 -0.332 -8.940 0.385 1.00 0.58 C ATOM 478 O SER A 33 -0.478 -8.551 -0.778 1.00 0.57 O ATOM 479 CB SER A 33 0.238 -11.334 0.777 1.00 1.48 C ATOM 480 OG SER A 33 -0.018 -12.346 1.720 1.00 2.24 O ATOM 0 H SER A 33 -2.392 -9.838 -0.550 1.00 0.64 H new ATOM 0 HA SER A 33 -1.253 -10.259 1.848 1.00 0.90 H new ATOM 0 HB2 SER A 33 0.312 -11.764 -0.222 1.00 1.48 H new ATOM 0 HB3 SER A 33 1.195 -10.857 0.991 1.00 1.48 H new ATOM 0 HG SER A 33 -0.849 -12.809 1.485 1.00 2.24 H new ATOM 486 N CYS A 34 0.349 -8.284 1.326 1.00 0.61 N ATOM 487 CA CYS A 34 1.068 -7.023 1.172 1.00 0.46 C ATOM 488 C CYS A 34 2.571 -7.258 1.402 1.00 0.47 C ATOM 489 O CYS A 34 2.930 -8.050 2.275 1.00 0.85 O ATOM 490 CB CYS A 34 0.563 -6.036 2.248 1.00 0.70 C ATOM 491 SG CYS A 34 -1.252 -6.001 2.413 1.00 1.04 S ATOM 0 H CYS A 34 0.416 -8.645 2.278 1.00 0.61 H new ATOM 0 HA CYS A 34 0.902 -6.625 0.171 1.00 0.46 H new ATOM 0 HB2 CYS A 34 1.002 -6.304 3.209 1.00 0.70 H new ATOM 0 HB3 CYS A 34 0.917 -5.034 2.005 1.00 0.70 H new ATOM 0 HG CYS A 34 -1.572 -5.538 3.585 1.00 1.04 H new ATOM 497 N GLN A 35 3.430 -6.555 0.668 1.00 0.39 N ATOM 498 CA GLN A 35 4.853 -6.409 0.970 1.00 0.42 C ATOM 499 C GLN A 35 5.283 -4.980 0.604 1.00 0.39 C ATOM 500 O GLN A 35 5.110 -4.566 -0.546 1.00 0.49 O ATOM 501 CB GLN A 35 5.707 -7.411 0.170 1.00 0.53 C ATOM 502 CG GLN A 35 5.390 -8.888 0.453 1.00 0.99 C ATOM 503 CD GLN A 35 6.227 -9.865 -0.373 1.00 1.81 C ATOM 504 OE1 GLN A 35 7.141 -9.522 -1.104 1.00 2.91 O ATOM 505 NE2 GLN A 35 5.952 -11.146 -0.272 1.00 2.57 N ATOM 0 H GLN A 35 3.148 -6.057 -0.177 1.00 0.39 H new ATOM 0 HA GLN A 35 5.006 -6.607 2.031 1.00 0.42 H new ATOM 0 HB2 GLN A 35 5.567 -7.220 -0.894 1.00 0.53 H new ATOM 0 HB3 GLN A 35 6.759 -7.230 0.391 1.00 0.53 H new ATOM 0 HG2 GLN A 35 5.553 -9.089 1.512 1.00 0.99 H new ATOM 0 HG3 GLN A 35 4.334 -9.069 0.253 1.00 0.99 H new ATOM 0 HE21 GLN A 35 5.192 -11.458 0.333 1.00 2.57 H new ATOM 0 HE22 GLN A 35 6.498 -11.828 -0.798 1.00 2.57 H new ATOM 514 N VAL A 36 5.861 -4.241 1.553 1.00 0.42 N ATOM 515 CA VAL A 36 6.531 -2.948 1.340 1.00 0.41 C ATOM 516 C VAL A 36 8.025 -3.058 1.671 1.00 0.41 C ATOM 517 O VAL A 36 8.413 -3.544 2.732 1.00 0.53 O ATOM 518 CB VAL A 36 5.836 -1.808 2.131 1.00 0.60 C ATOM 519 CG1 VAL A 36 6.179 -1.740 3.631 1.00 1.64 C ATOM 520 CG2 VAL A 36 6.152 -0.431 1.530 1.00 1.21 C ATOM 0 H VAL A 36 5.878 -4.534 2.530 1.00 0.42 H new ATOM 0 HA VAL A 36 6.445 -2.687 0.285 1.00 0.41 H new ATOM 0 HB VAL A 36 4.778 -2.057 2.043 1.00 0.60 H new ATOM 0 HG11 VAL A 36 5.642 -0.910 4.090 1.00 1.64 H new ATOM 0 HG12 VAL A 36 5.887 -2.672 4.114 1.00 1.64 H new ATOM 0 HG13 VAL A 36 7.252 -1.589 3.752 1.00 1.64 H new ATOM 0 HG21 VAL A 36 5.649 0.343 2.109 1.00 1.21 H new ATOM 0 HG22 VAL A 36 7.228 -0.261 1.556 1.00 1.21 H new ATOM 0 HG23 VAL A 36 5.804 -0.396 0.498 1.00 1.21 H new ATOM 530 N ASN A 37 8.878 -2.569 0.768 1.00 0.44 N ATOM 531 CA ASN A 37 10.318 -2.468 0.985 1.00 0.44 C ATOM 532 C ASN A 37 10.635 -1.059 1.502 1.00 0.51 C ATOM 533 O ASN A 37 10.799 -0.120 0.717 1.00 0.58 O ATOM 534 CB ASN A 37 11.063 -2.810 -0.316 1.00 0.52 C ATOM 535 CG ASN A 37 12.570 -2.929 -0.122 1.00 0.75 C ATOM 536 OD1 ASN A 37 13.232 -2.011 0.345 1.00 0.87 O ATOM 537 ND2 ASN A 37 13.154 -4.060 -0.470 1.00 1.13 N ATOM 0 H ASN A 37 8.581 -2.228 -0.146 1.00 0.44 H new ATOM 0 HA ASN A 37 10.655 -3.183 1.735 1.00 0.44 H new ATOM 0 HB2 ASN A 37 10.678 -3.749 -0.714 1.00 0.52 H new ATOM 0 HB3 ASN A 37 10.857 -2.040 -1.060 1.00 0.52 H new ATOM 0 HD21 ASN A 37 14.161 -4.172 -0.350 1.00 1.13 H new ATOM 0 HD22 ASN A 37 12.599 -4.822 -0.859 1.00 1.13 H new ATOM 544 N PHE A 38 10.729 -0.904 2.828 1.00 0.61 N ATOM 545 CA PHE A 38 10.960 0.389 3.477 1.00 0.77 C ATOM 546 C PHE A 38 12.436 0.828 3.409 1.00 0.84 C ATOM 547 O PHE A 38 13.085 1.080 4.420 1.00 1.08 O ATOM 548 CB PHE A 38 10.361 0.371 4.891 1.00 0.93 C ATOM 549 CG PHE A 38 10.200 1.763 5.472 1.00 1.01 C ATOM 550 CD1 PHE A 38 9.286 2.659 4.886 1.00 2.05 C ATOM 551 CD2 PHE A 38 10.972 2.176 6.574 1.00 2.06 C ATOM 552 CE1 PHE A 38 9.129 3.953 5.407 1.00 2.48 C ATOM 553 CE2 PHE A 38 10.823 3.474 7.091 1.00 2.73 C ATOM 554 CZ PHE A 38 9.901 4.359 6.508 1.00 2.49 C ATOM 0 H PHE A 38 10.646 -1.680 3.485 1.00 0.61 H new ATOM 0 HA PHE A 38 10.436 1.168 2.923 1.00 0.77 H new ATOM 0 HB2 PHE A 38 9.389 -0.122 4.864 1.00 0.93 H new ATOM 0 HB3 PHE A 38 11.001 -0.221 5.546 1.00 0.93 H new ATOM 0 HD1 PHE A 38 8.703 2.349 4.031 1.00 2.05 H new ATOM 0 HD2 PHE A 38 11.680 1.495 7.023 1.00 2.06 H new ATOM 0 HE1 PHE A 38 8.418 4.634 4.963 1.00 2.48 H new ATOM 0 HE2 PHE A 38 11.417 3.791 7.936 1.00 2.73 H new ATOM 0 HZ PHE A 38 9.785 5.356 6.908 1.00 2.49 H new ATOM 564 N ALA A 39 12.952 0.913 2.184 1.00 0.81 N ATOM 565 CA ALA A 39 14.270 1.403 1.810 1.00 0.96 C ATOM 566 C ALA A 39 14.245 1.721 0.308 1.00 1.03 C ATOM 567 O ALA A 39 14.276 2.884 -0.075 1.00 1.70 O ATOM 568 CB ALA A 39 15.337 0.363 2.187 1.00 0.97 C ATOM 0 H ALA A 39 12.416 0.618 1.368 1.00 0.81 H new ATOM 0 HA ALA A 39 14.528 2.315 2.348 1.00 0.96 H new ATOM 0 HB1 ALA A 39 16.322 0.734 1.905 1.00 0.97 H new ATOM 0 HB2 ALA A 39 15.310 0.187 3.262 1.00 0.97 H new ATOM 0 HB3 ALA A 39 15.137 -0.571 1.661 1.00 0.97 H new ATOM 574 N LEU A 40 14.039 0.709 -0.540 1.00 0.66 N ATOM 575 CA LEU A 40 13.982 0.795 -1.991 1.00 0.65 C ATOM 576 C LEU A 40 12.542 1.121 -2.480 1.00 0.57 C ATOM 577 O LEU A 40 12.118 0.742 -3.567 1.00 0.69 O ATOM 578 CB LEU A 40 14.687 -0.507 -2.456 1.00 0.73 C ATOM 579 CG LEU A 40 14.386 -1.056 -3.846 1.00 0.74 C ATOM 580 CD1 LEU A 40 14.788 -0.095 -4.977 1.00 0.73 C ATOM 581 CD2 LEU A 40 15.090 -2.406 -4.050 1.00 0.90 C ATOM 0 H LEU A 40 13.900 -0.245 -0.206 1.00 0.66 H new ATOM 0 HA LEU A 40 14.506 1.630 -2.456 1.00 0.65 H new ATOM 0 HB2 LEU A 40 15.762 -0.339 -2.395 1.00 0.73 H new ATOM 0 HB3 LEU A 40 14.445 -1.288 -1.735 1.00 0.73 H new ATOM 0 HG LEU A 40 13.304 -1.181 -3.897 1.00 0.74 H new ATOM 0 HD11 LEU A 40 14.547 -0.545 -5.940 1.00 0.73 H new ATOM 0 HD12 LEU A 40 14.243 0.843 -4.869 1.00 0.73 H new ATOM 0 HD13 LEU A 40 15.859 0.100 -4.925 1.00 0.73 H new ATOM 0 HD21 LEU A 40 14.866 -2.786 -5.047 1.00 0.90 H new ATOM 0 HD22 LEU A 40 16.167 -2.274 -3.945 1.00 0.90 H new ATOM 0 HD23 LEU A 40 14.737 -3.117 -3.303 1.00 0.90 H new ATOM 593 N GLU A 41 11.774 1.824 -1.644 1.00 0.56 N ATOM 594 CA GLU A 41 10.504 2.499 -1.942 1.00 0.50 C ATOM 595 C GLU A 41 9.328 1.626 -2.421 1.00 0.40 C ATOM 596 O GLU A 41 8.219 2.156 -2.496 1.00 0.38 O ATOM 597 CB GLU A 41 10.714 3.612 -2.982 1.00 0.65 C ATOM 598 CG GLU A 41 11.623 4.759 -2.531 1.00 0.87 C ATOM 599 CD GLU A 41 11.517 5.962 -3.476 1.00 1.14 C ATOM 600 OE1 GLU A 41 10.648 5.985 -4.383 1.00 1.75 O ATOM 601 OE2 GLU A 41 12.284 6.929 -3.293 1.00 2.12 O ATOM 0 H GLU A 41 12.042 1.947 -0.667 1.00 0.56 H new ATOM 0 HA GLU A 41 10.207 2.876 -0.963 1.00 0.50 H new ATOM 0 HB2 GLU A 41 11.134 3.169 -3.885 1.00 0.65 H new ATOM 0 HB3 GLU A 41 9.742 4.024 -3.252 1.00 0.65 H new ATOM 0 HG2 GLU A 41 11.352 5.064 -1.520 1.00 0.87 H new ATOM 0 HG3 GLU A 41 12.656 4.413 -2.494 1.00 0.87 H new ATOM 608 N GLN A 42 9.500 0.355 -2.806 1.00 0.41 N ATOM 609 CA GLN A 42 8.393 -0.356 -3.448 1.00 0.36 C ATOM 610 C GLN A 42 7.295 -0.754 -2.456 1.00 0.32 C ATOM 611 O GLN A 42 7.564 -1.081 -1.300 1.00 0.38 O ATOM 612 CB GLN A 42 8.835 -1.577 -4.270 1.00 0.42 C ATOM 613 CG GLN A 42 9.105 -2.856 -3.424 1.00 0.50 C ATOM 614 CD GLN A 42 10.421 -3.583 -3.665 1.00 0.48 C ATOM 615 OE1 GLN A 42 10.589 -4.746 -3.349 1.00 1.03 O ATOM 616 NE2 GLN A 42 11.461 -2.939 -4.138 1.00 0.79 N ATOM 0 H GLN A 42 10.359 -0.183 -2.690 1.00 0.41 H new ATOM 0 HA GLN A 42 7.977 0.367 -4.149 1.00 0.36 H new ATOM 0 HB2 GLN A 42 8.066 -1.800 -5.009 1.00 0.42 H new ATOM 0 HB3 GLN A 42 9.741 -1.321 -4.820 1.00 0.42 H new ATOM 0 HG2 GLN A 42 9.059 -2.580 -2.370 1.00 0.50 H new ATOM 0 HG3 GLN A 42 8.292 -3.559 -3.605 1.00 0.50 H new ATOM 0 HE21 GLN A 42 11.372 -1.962 -4.417 1.00 0.79 H new ATOM 0 HE22 GLN A 42 12.359 -3.415 -4.227 1.00 0.79 H new ATOM 625 N ALA A 43 6.084 -0.869 -2.989 1.00 0.31 N ATOM 626 CA ALA A 43 5.039 -1.734 -2.454 1.00 0.30 C ATOM 627 C ALA A 43 4.551 -2.703 -3.542 1.00 0.40 C ATOM 628 O ALA A 43 4.419 -2.314 -4.707 1.00 0.65 O ATOM 629 CB ALA A 43 3.893 -0.875 -1.902 1.00 0.35 C ATOM 0 H ALA A 43 5.796 -0.354 -3.821 1.00 0.31 H new ATOM 0 HA ALA A 43 5.437 -2.332 -1.634 1.00 0.30 H new ATOM 0 HB1 ALA A 43 3.113 -1.523 -1.502 1.00 0.35 H new ATOM 0 HB2 ALA A 43 4.271 -0.230 -1.109 1.00 0.35 H new ATOM 0 HB3 ALA A 43 3.480 -0.261 -2.703 1.00 0.35 H new ATOM 635 N VAL A 44 4.247 -3.942 -3.152 1.00 0.36 N ATOM 636 CA VAL A 44 3.399 -4.860 -3.928 1.00 0.35 C ATOM 637 C VAL A 44 2.236 -5.332 -3.067 1.00 0.38 C ATOM 638 O VAL A 44 2.428 -5.789 -1.940 1.00 0.46 O ATOM 639 CB VAL A 44 4.163 -6.052 -4.552 1.00 0.41 C ATOM 640 CG1 VAL A 44 4.926 -6.926 -3.545 1.00 0.47 C ATOM 641 CG2 VAL A 44 3.234 -6.938 -5.402 1.00 0.48 C ATOM 0 H VAL A 44 4.585 -4.345 -2.278 1.00 0.36 H new ATOM 0 HA VAL A 44 3.021 -4.296 -4.781 1.00 0.35 H new ATOM 0 HB VAL A 44 4.915 -5.584 -5.187 1.00 0.41 H new ATOM 0 HG11 VAL A 44 5.430 -7.735 -4.074 1.00 0.47 H new ATOM 0 HG12 VAL A 44 5.665 -6.318 -3.022 1.00 0.47 H new ATOM 0 HG13 VAL A 44 4.225 -7.346 -2.823 1.00 0.47 H new ATOM 0 HG21 VAL A 44 3.806 -7.765 -5.824 1.00 0.48 H new ATOM 0 HG22 VAL A 44 2.434 -7.332 -4.776 1.00 0.48 H new ATOM 0 HG23 VAL A 44 2.804 -6.345 -6.209 1.00 0.48 H new ATOM 651 N VAL A 45 1.020 -5.213 -3.603 1.00 0.46 N ATOM 652 CA VAL A 45 -0.184 -5.742 -2.942 1.00 0.46 C ATOM 653 C VAL A 45 -1.187 -6.191 -3.993 1.00 0.45 C ATOM 654 O VAL A 45 -1.427 -5.488 -4.974 1.00 0.50 O ATOM 655 CB VAL A 45 -0.886 -4.735 -1.987 1.00 0.49 C ATOM 656 CG1 VAL A 45 -1.867 -5.441 -1.052 1.00 0.75 C ATOM 657 CG2 VAL A 45 0.062 -3.884 -1.119 1.00 0.89 C ATOM 0 H VAL A 45 0.838 -4.754 -4.496 1.00 0.46 H new ATOM 0 HA VAL A 45 0.159 -6.574 -2.327 1.00 0.46 H new ATOM 0 HB VAL A 45 -1.401 -4.058 -2.668 1.00 0.49 H new ATOM 0 HG11 VAL A 45 -2.339 -4.707 -0.399 1.00 0.75 H new ATOM 0 HG12 VAL A 45 -2.631 -5.947 -1.642 1.00 0.75 H new ATOM 0 HG13 VAL A 45 -1.331 -6.173 -0.448 1.00 0.75 H new ATOM 0 HG21 VAL A 45 -0.524 -3.215 -0.489 1.00 0.89 H new ATOM 0 HG22 VAL A 45 0.665 -4.539 -0.490 1.00 0.89 H new ATOM 0 HG23 VAL A 45 0.716 -3.296 -1.763 1.00 0.89 H new ATOM 667 N SER A 46 -1.841 -7.320 -3.736 1.00 0.48 N ATOM 668 CA SER A 46 -3.160 -7.615 -4.301 1.00 0.56 C ATOM 669 C SER A 46 -4.202 -7.628 -3.172 1.00 0.52 C ATOM 670 O SER A 46 -3.969 -8.202 -2.107 1.00 0.58 O ATOM 671 CB SER A 46 -3.123 -8.884 -5.146 1.00 0.83 C ATOM 672 OG SER A 46 -4.371 -9.538 -5.188 1.00 1.52 O ATOM 0 H SER A 46 -1.475 -8.056 -3.132 1.00 0.48 H new ATOM 0 HA SER A 46 -3.462 -6.831 -4.996 1.00 0.56 H new ATOM 0 HB2 SER A 46 -2.813 -8.633 -6.160 1.00 0.83 H new ATOM 0 HB3 SER A 46 -2.373 -9.564 -4.743 1.00 0.83 H new ATOM 0 HG SER A 46 -4.355 -10.230 -5.882 1.00 1.52 H new ATOM 678 N TYR A 47 -5.299 -6.897 -3.394 1.00 0.67 N ATOM 679 CA TYR A 47 -6.181 -6.330 -2.364 1.00 0.77 C ATOM 680 C TYR A 47 -7.600 -6.021 -2.881 1.00 0.97 C ATOM 681 O TYR A 47 -8.231 -5.044 -2.492 1.00 1.46 O ATOM 682 CB TYR A 47 -5.504 -5.175 -1.587 1.00 0.90 C ATOM 683 CG TYR A 47 -4.897 -3.949 -2.287 1.00 0.90 C ATOM 684 CD1 TYR A 47 -4.086 -4.044 -3.440 1.00 2.37 C ATOM 685 CD2 TYR A 47 -4.990 -2.693 -1.653 1.00 2.34 C ATOM 686 CE1 TYR A 47 -3.404 -2.931 -3.961 1.00 2.52 C ATOM 687 CE2 TYR A 47 -4.266 -1.579 -2.134 1.00 2.36 C ATOM 688 CZ TYR A 47 -3.470 -1.694 -3.294 1.00 1.22 C ATOM 689 OH TYR A 47 -2.767 -0.625 -3.763 1.00 1.46 O ATOM 0 H TYR A 47 -5.612 -6.673 -4.339 1.00 0.67 H new ATOM 0 HA TYR A 47 -6.344 -7.110 -1.621 1.00 0.77 H new ATOM 0 HB2 TYR A 47 -6.246 -4.796 -0.884 1.00 0.90 H new ATOM 0 HB3 TYR A 47 -4.705 -5.624 -0.997 1.00 0.90 H new ATOM 0 HD1 TYR A 47 -3.987 -4.999 -3.935 1.00 2.37 H new ATOM 0 HD2 TYR A 47 -5.624 -2.581 -0.786 1.00 2.34 H new ATOM 0 HE1 TYR A 47 -2.831 -3.025 -4.871 1.00 2.52 H new ATOM 0 HE2 TYR A 47 -4.322 -0.635 -1.612 1.00 2.36 H new ATOM 0 HH TYR A 47 -3.119 0.198 -3.365 1.00 1.46 H new ATOM 699 N HIS A 48 -8.105 -6.870 -3.785 1.00 0.87 N ATOM 700 CA HIS A 48 -9.348 -6.656 -4.546 1.00 1.03 C ATOM 701 C HIS A 48 -10.140 -7.980 -4.706 1.00 1.21 C ATOM 702 O HIS A 48 -9.832 -8.772 -5.606 1.00 1.39 O ATOM 703 CB HIS A 48 -8.973 -6.049 -5.921 1.00 1.16 C ATOM 704 CG HIS A 48 -7.848 -5.041 -5.909 1.00 1.15 C ATOM 705 ND1 HIS A 48 -7.987 -3.655 -5.850 1.00 1.05 N ATOM 706 CD2 HIS A 48 -6.521 -5.353 -5.963 1.00 1.31 C ATOM 707 CE1 HIS A 48 -6.740 -3.160 -5.856 1.00 1.15 C ATOM 708 NE2 HIS A 48 -5.839 -4.155 -5.946 1.00 1.34 N ATOM 0 H HIS A 48 -7.648 -7.752 -4.016 1.00 0.87 H new ATOM 0 HA HIS A 48 -10.000 -5.968 -4.008 1.00 1.03 H new ATOM 0 HB2 HIS A 48 -8.700 -6.862 -6.594 1.00 1.16 H new ATOM 0 HB3 HIS A 48 -9.859 -5.572 -6.340 1.00 1.16 H new ATOM 0 HD2 HIS A 48 -6.090 -6.342 -6.010 1.00 1.31 H new ATOM 0 HE1 HIS A 48 -6.494 -2.110 -5.797 1.00 1.15 H new ATOM 0 HE2 HIS A 48 -4.826 -4.042 -5.993 1.00 1.34 H new ATOM 716 N GLY A 49 -11.150 -8.274 -3.881 1.00 1.74 N ATOM 717 CA GLY A 49 -11.834 -9.584 -3.871 1.00 2.27 C ATOM 718 C GLY A 49 -12.811 -9.752 -5.037 1.00 2.15 C ATOM 719 O GLY A 49 -13.156 -10.863 -5.421 1.00 3.18 O ATOM 0 H GLY A 49 -11.521 -7.614 -3.198 1.00 1.74 H new ATOM 0 HA2 GLY A 49 -11.089 -10.378 -3.910 1.00 2.27 H new ATOM 0 HA3 GLY A 49 -12.374 -9.700 -2.931 1.00 2.27 H new ATOM 723 N GLU A 50 -13.178 -8.636 -5.652 1.00 1.76 N ATOM 724 CA GLU A 50 -14.432 -8.394 -6.354 1.00 1.96 C ATOM 725 C GLU A 50 -14.175 -7.334 -7.439 1.00 2.14 C ATOM 726 O GLU A 50 -13.644 -7.692 -8.496 1.00 3.13 O ATOM 727 CB GLU A 50 -15.559 -8.068 -5.329 1.00 2.39 C ATOM 728 CG GLU A 50 -15.429 -6.874 -4.346 1.00 3.52 C ATOM 729 CD GLU A 50 -14.038 -6.730 -3.725 1.00 4.43 C ATOM 730 OE1 GLU A 50 -13.149 -6.224 -4.448 1.00 4.94 O ATOM 731 OE2 GLU A 50 -13.792 -7.285 -2.635 1.00 5.32 O ATOM 0 H GLU A 50 -12.566 -7.820 -5.675 1.00 1.76 H new ATOM 0 HA GLU A 50 -14.799 -9.277 -6.878 1.00 1.96 H new ATOM 0 HB2 GLU A 50 -16.474 -7.912 -5.900 1.00 2.39 H new ATOM 0 HB3 GLU A 50 -15.709 -8.963 -4.725 1.00 2.39 H new ATOM 0 HG2 GLU A 50 -15.678 -5.953 -4.874 1.00 3.52 H new ATOM 0 HG3 GLU A 50 -16.162 -6.992 -3.548 1.00 3.52 H new ATOM 738 N THR A 51 -14.458 -6.051 -7.196 1.00 1.93 N ATOM 739 CA THR A 51 -14.201 -4.902 -8.082 1.00 2.40 C ATOM 740 C THR A 51 -14.180 -3.660 -7.200 1.00 2.04 C ATOM 741 O THR A 51 -15.132 -3.420 -6.460 1.00 3.03 O ATOM 742 CB THR A 51 -15.270 -4.799 -9.176 1.00 3.67 C ATOM 743 OG1 THR A 51 -15.062 -5.868 -10.065 1.00 4.97 O ATOM 744 CG2 THR A 51 -15.184 -3.513 -9.999 1.00 4.92 C ATOM 0 H THR A 51 -14.900 -5.765 -6.323 1.00 1.93 H new ATOM 0 HA THR A 51 -13.249 -5.016 -8.600 1.00 2.40 H new ATOM 0 HB THR A 51 -16.242 -4.813 -8.683 1.00 3.67 H new ATOM 0 HG1 THR A 51 -14.481 -6.536 -9.644 1.00 4.97 H new ATOM 0 HG21 THR A 51 -15.971 -3.510 -10.753 1.00 4.92 H new ATOM 0 HG22 THR A 51 -15.308 -2.652 -9.342 1.00 4.92 H new ATOM 0 HG23 THR A 51 -14.212 -3.459 -10.489 1.00 4.92 H new ATOM 752 N THR A 52 -13.078 -2.910 -7.247 1.00 1.96 N ATOM 753 CA THR A 52 -12.692 -1.930 -6.228 1.00 2.03 C ATOM 754 C THR A 52 -12.712 -0.494 -6.761 1.00 1.64 C ATOM 755 O THR A 52 -12.280 -0.258 -7.888 1.00 2.25 O ATOM 756 CB THR A 52 -11.278 -2.240 -5.717 1.00 3.24 C ATOM 757 OG1 THR A 52 -10.469 -2.654 -6.797 1.00 3.95 O ATOM 758 CG2 THR A 52 -11.292 -3.367 -4.687 1.00 4.61 C ATOM 0 H THR A 52 -12.410 -2.968 -8.016 1.00 1.96 H new ATOM 0 HA THR A 52 -13.423 -2.006 -5.423 1.00 2.03 H new ATOM 0 HB THR A 52 -10.888 -1.334 -5.254 1.00 3.24 H new ATOM 0 HG1 THR A 52 -9.549 -2.783 -6.486 1.00 3.95 H new ATOM 0 HG21 THR A 52 -10.275 -3.561 -4.346 1.00 4.61 H new ATOM 0 HG22 THR A 52 -11.910 -3.076 -3.838 1.00 4.61 H new ATOM 0 HG23 THR A 52 -11.701 -4.270 -5.141 1.00 4.61 H new ATOM 766 N PRO A 53 -13.140 0.485 -5.940 1.00 2.27 N ATOM 767 CA PRO A 53 -12.847 1.897 -6.150 1.00 2.95 C ATOM 768 C PRO A 53 -11.414 2.221 -5.689 1.00 2.07 C ATOM 769 O PRO A 53 -10.709 1.369 -5.147 1.00 1.98 O ATOM 770 CB PRO A 53 -13.905 2.629 -5.317 1.00 4.54 C ATOM 771 CG PRO A 53 -14.091 1.701 -4.117 1.00 4.63 C ATOM 772 CD PRO A 53 -13.901 0.307 -4.709 1.00 3.45 C ATOM 0 HA PRO A 53 -12.889 2.195 -7.198 1.00 2.95 H new ATOM 0 HB2 PRO A 53 -13.567 3.620 -5.014 1.00 4.54 H new ATOM 0 HB3 PRO A 53 -14.834 2.765 -5.871 1.00 4.54 H new ATOM 0 HG2 PRO A 53 -13.361 1.907 -3.334 1.00 4.63 H new ATOM 0 HG3 PRO A 53 -15.079 1.816 -3.671 1.00 4.63 H new ATOM 0 HD2 PRO A 53 -13.369 -0.342 -4.013 1.00 3.45 H new ATOM 0 HD3 PRO A 53 -14.863 -0.164 -4.911 1.00 3.45 H new ATOM 780 N GLN A 54 -10.999 3.485 -5.833 1.00 1.83 N ATOM 781 CA GLN A 54 -9.668 3.988 -5.455 1.00 1.32 C ATOM 782 C GLN A 54 -9.300 3.920 -3.954 1.00 1.11 C ATOM 783 O GLN A 54 -8.312 4.529 -3.546 1.00 1.08 O ATOM 784 CB GLN A 54 -9.490 5.417 -5.982 1.00 1.98 C ATOM 785 CG GLN A 54 -10.473 6.400 -5.325 1.00 2.58 C ATOM 786 CD GLN A 54 -11.810 6.502 -6.061 1.00 2.98 C ATOM 787 OE1 GLN A 54 -11.983 6.052 -7.179 1.00 3.02 O ATOM 788 NE2 GLN A 54 -12.852 7.002 -5.441 1.00 4.23 N ATOM 0 H GLN A 54 -11.597 4.211 -6.228 1.00 1.83 H new ATOM 0 HA GLN A 54 -8.970 3.295 -5.924 1.00 1.32 H new ATOM 0 HB2 GLN A 54 -8.468 5.747 -5.796 1.00 1.98 H new ATOM 0 HB3 GLN A 54 -9.636 5.426 -7.062 1.00 1.98 H new ATOM 0 HG2 GLN A 54 -10.655 6.088 -4.297 1.00 2.58 H new ATOM 0 HG3 GLN A 54 -10.014 7.388 -5.282 1.00 2.58 H new ATOM 0 HE21 GLN A 54 -12.750 7.389 -4.503 1.00 4.23 H new ATOM 0 HE22 GLN A 54 -13.764 7.004 -5.897 1.00 4.23 H new ATOM 797 N ILE A 55 -10.032 3.185 -3.113 1.00 1.20 N ATOM 798 CA ILE A 55 -9.618 2.892 -1.720 1.00 1.22 C ATOM 799 C ILE A 55 -8.240 2.200 -1.669 1.00 1.09 C ATOM 800 O ILE A 55 -7.511 2.297 -0.683 1.00 1.09 O ATOM 801 CB ILE A 55 -10.734 2.103 -0.987 1.00 1.52 C ATOM 802 CG1 ILE A 55 -12.034 2.937 -0.857 1.00 1.76 C ATOM 803 CG2 ILE A 55 -10.309 1.592 0.403 1.00 1.60 C ATOM 804 CD1 ILE A 55 -11.933 4.224 -0.025 1.00 3.13 C ATOM 0 H ILE A 55 -10.929 2.772 -3.369 1.00 1.20 H new ATOM 0 HA ILE A 55 -9.487 3.832 -1.183 1.00 1.22 H new ATOM 0 HB ILE A 55 -10.925 1.231 -1.613 1.00 1.52 H new ATOM 0 HG12 ILE A 55 -12.373 3.202 -1.859 1.00 1.76 H new ATOM 0 HG13 ILE A 55 -12.805 2.304 -0.417 1.00 1.76 H new ATOM 0 HG21 ILE A 55 -11.137 1.049 0.860 1.00 1.60 H new ATOM 0 HG22 ILE A 55 -9.452 0.927 0.300 1.00 1.60 H new ATOM 0 HG23 ILE A 55 -10.038 2.438 1.034 1.00 1.60 H new ATOM 0 HD11 ILE A 55 -12.903 4.722 -0.006 1.00 3.13 H new ATOM 0 HD12 ILE A 55 -11.632 3.977 0.993 1.00 3.13 H new ATOM 0 HD13 ILE A 55 -11.193 4.888 -0.471 1.00 3.13 H new ATOM 816 N LEU A 56 -7.819 1.613 -2.793 1.00 1.07 N ATOM 817 CA LEU A 56 -6.471 1.059 -2.965 1.00 1.03 C ATOM 818 C LEU A 56 -5.381 2.124 -2.724 1.00 0.86 C ATOM 819 O LEU A 56 -4.332 1.826 -2.162 1.00 1.02 O ATOM 820 CB LEU A 56 -6.401 0.369 -4.345 1.00 1.19 C ATOM 821 CG LEU A 56 -6.399 1.313 -5.571 1.00 1.17 C ATOM 822 CD1 LEU A 56 -4.968 1.628 -6.037 1.00 1.26 C ATOM 823 CD2 LEU A 56 -7.174 0.689 -6.740 1.00 1.52 C ATOM 0 H LEU A 56 -8.410 1.507 -3.618 1.00 1.07 H new ATOM 0 HA LEU A 56 -6.268 0.301 -2.208 1.00 1.03 H new ATOM 0 HB2 LEU A 56 -5.499 -0.242 -4.379 1.00 1.19 H new ATOM 0 HB3 LEU A 56 -7.249 -0.310 -4.434 1.00 1.19 H new ATOM 0 HG LEU A 56 -6.883 2.239 -5.260 1.00 1.17 H new ATOM 0 HD11 LEU A 56 -5.004 2.293 -6.900 1.00 1.26 H new ATOM 0 HD12 LEU A 56 -4.420 2.112 -5.228 1.00 1.26 H new ATOM 0 HD13 LEU A 56 -4.463 0.702 -6.314 1.00 1.26 H new ATOM 0 HD21 LEU A 56 -7.159 1.370 -7.591 1.00 1.52 H new ATOM 0 HD22 LEU A 56 -6.708 -0.255 -7.023 1.00 1.52 H new ATOM 0 HD23 LEU A 56 -8.205 0.508 -6.438 1.00 1.52 H new ATOM 835 N THR A 57 -5.655 3.375 -3.110 1.00 0.74 N ATOM 836 CA THR A 57 -4.832 4.570 -2.843 1.00 0.73 C ATOM 837 C THR A 57 -5.158 5.246 -1.518 1.00 0.71 C ATOM 838 O THR A 57 -4.236 5.771 -0.896 1.00 0.82 O ATOM 839 CB THR A 57 -4.902 5.594 -3.988 1.00 0.95 C ATOM 840 OG1 THR A 57 -6.063 5.430 -4.770 1.00 1.78 O ATOM 841 CG2 THR A 57 -3.708 5.427 -4.926 1.00 2.16 C ATOM 0 H THR A 57 -6.496 3.597 -3.643 1.00 0.74 H new ATOM 0 HA THR A 57 -3.811 4.195 -2.774 1.00 0.73 H new ATOM 0 HB THR A 57 -4.906 6.578 -3.520 1.00 0.95 H new ATOM 0 HG1 THR A 57 -6.830 5.256 -4.185 1.00 1.78 H new ATOM 0 HG21 THR A 57 -3.772 6.159 -5.731 1.00 2.16 H new ATOM 0 HG22 THR A 57 -2.784 5.580 -4.369 1.00 2.16 H new ATOM 0 HG23 THR A 57 -3.715 4.422 -5.348 1.00 2.16 H new ATOM 849 N ASP A 58 -6.403 5.188 -1.037 1.00 0.67 N ATOM 850 CA ASP A 58 -6.770 5.689 0.307 1.00 0.69 C ATOM 851 C ASP A 58 -5.870 5.077 1.389 1.00 0.62 C ATOM 852 O ASP A 58 -5.302 5.787 2.218 1.00 0.61 O ATOM 853 CB ASP A 58 -8.241 5.365 0.597 1.00 0.80 C ATOM 854 CG ASP A 58 -8.682 5.800 1.997 1.00 1.31 C ATOM 855 OD1 ASP A 58 -8.823 7.022 2.199 1.00 2.26 O ATOM 856 OD2 ASP A 58 -8.909 4.889 2.829 1.00 2.09 O ATOM 0 H ASP A 58 -7.187 4.796 -1.559 1.00 0.67 H new ATOM 0 HA ASP A 58 -6.628 6.770 0.323 1.00 0.69 H new ATOM 0 HB2 ASP A 58 -8.869 5.857 -0.146 1.00 0.80 H new ATOM 0 HB3 ASP A 58 -8.400 4.292 0.489 1.00 0.80 H new ATOM 861 N ALA A 59 -5.588 3.776 1.289 1.00 0.64 N ATOM 862 CA ALA A 59 -4.621 3.107 2.150 1.00 0.71 C ATOM 863 C ALA A 59 -3.149 3.537 1.989 1.00 0.78 C ATOM 864 O ALA A 59 -2.307 3.010 2.706 1.00 1.09 O ATOM 865 CB ALA A 59 -4.811 1.594 2.001 1.00 0.83 C ATOM 0 H ALA A 59 -6.027 3.159 0.606 1.00 0.64 H new ATOM 0 HA ALA A 59 -4.836 3.428 3.169 1.00 0.71 H new ATOM 0 HB1 ALA A 59 -4.096 1.073 2.638 1.00 0.83 H new ATOM 0 HB2 ALA A 59 -5.825 1.324 2.297 1.00 0.83 H new ATOM 0 HB3 ALA A 59 -4.648 1.307 0.962 1.00 0.83 H new ATOM 871 N VAL A 60 -2.820 4.496 1.122 1.00 0.68 N ATOM 872 CA VAL A 60 -1.532 5.222 1.132 1.00 0.67 C ATOM 873 C VAL A 60 -1.699 6.637 1.720 1.00 0.63 C ATOM 874 O VAL A 60 -0.847 7.075 2.498 1.00 0.64 O ATOM 875 CB VAL A 60 -0.882 5.247 -0.278 1.00 0.78 C ATOM 876 CG1 VAL A 60 0.629 5.509 -0.188 1.00 1.73 C ATOM 877 CG2 VAL A 60 -1.056 3.927 -1.057 1.00 1.64 C ATOM 0 H VAL A 60 -3.446 4.801 0.377 1.00 0.68 H new ATOM 0 HA VAL A 60 -0.846 4.680 1.784 1.00 0.67 H new ATOM 0 HB VAL A 60 -1.399 6.049 -0.806 1.00 0.78 H new ATOM 0 HG11 VAL A 60 1.057 5.521 -1.191 1.00 1.73 H new ATOM 0 HG12 VAL A 60 0.803 6.472 0.292 1.00 1.73 H new ATOM 0 HG13 VAL A 60 1.101 4.720 0.398 1.00 1.73 H new ATOM 0 HG21 VAL A 60 -0.578 4.015 -2.033 1.00 1.64 H new ATOM 0 HG22 VAL A 60 -0.595 3.112 -0.499 1.00 1.64 H new ATOM 0 HG23 VAL A 60 -2.118 3.720 -1.190 1.00 1.64 H new ATOM 887 N GLU A 61 -2.843 7.296 1.483 1.00 0.61 N ATOM 888 CA GLU A 61 -3.192 8.597 2.093 1.00 0.65 C ATOM 889 C GLU A 61 -3.365 8.471 3.614 1.00 0.65 C ATOM 890 O GLU A 61 -3.089 9.410 4.358 1.00 0.90 O ATOM 891 CB GLU A 61 -4.490 9.163 1.491 1.00 0.77 C ATOM 892 CG GLU A 61 -4.375 9.625 0.031 1.00 1.35 C ATOM 893 CD GLU A 61 -3.635 10.954 -0.175 1.00 1.46 C ATOM 894 OE1 GLU A 61 -2.999 11.491 0.762 1.00 2.66 O ATOM 895 OE2 GLU A 61 -3.625 11.419 -1.336 1.00 1.93 O ATOM 0 H GLU A 61 -3.564 6.940 0.855 1.00 0.61 H new ATOM 0 HA GLU A 61 -2.367 9.277 1.879 1.00 0.65 H new ATOM 0 HB2 GLU A 61 -5.267 8.401 1.556 1.00 0.77 H new ATOM 0 HB3 GLU A 61 -4.819 10.006 2.099 1.00 0.77 H new ATOM 0 HG2 GLU A 61 -3.864 8.850 -0.540 1.00 1.35 H new ATOM 0 HG3 GLU A 61 -5.378 9.717 -0.385 1.00 1.35 H new ATOM 902 N ARG A 62 -3.700 7.270 4.105 1.00 0.57 N ATOM 903 CA ARG A 62 -3.713 6.897 5.527 1.00 0.67 C ATOM 904 C ARG A 62 -2.436 7.279 6.280 1.00 0.58 C ATOM 905 O ARG A 62 -2.442 7.278 7.513 1.00 0.71 O ATOM 906 CB ARG A 62 -3.967 5.383 5.650 1.00 0.83 C ATOM 907 CG ARG A 62 -2.750 4.484 5.327 1.00 1.73 C ATOM 908 CD ARG A 62 -1.719 4.223 6.444 1.00 1.26 C ATOM 909 NE ARG A 62 -2.242 3.305 7.458 1.00 1.55 N ATOM 910 CZ ARG A 62 -2.817 3.625 8.604 1.00 1.19 C ATOM 911 NH1 ARG A 62 -3.016 4.870 8.989 1.00 1.57 N ATOM 912 NH2 ARG A 62 -3.187 2.638 9.387 1.00 1.92 N ATOM 0 H ARG A 62 -3.981 6.500 3.498 1.00 0.57 H new ATOM 0 HA ARG A 62 -4.516 7.465 5.996 1.00 0.67 H new ATOM 0 HB2 ARG A 62 -4.299 5.167 6.666 1.00 0.83 H new ATOM 0 HB3 ARG A 62 -4.786 5.113 4.983 1.00 0.83 H new ATOM 0 HG2 ARG A 62 -3.129 3.519 4.992 1.00 1.73 H new ATOM 0 HG3 ARG A 62 -2.222 4.929 4.484 1.00 1.73 H new ATOM 0 HD2 ARG A 62 -0.810 3.807 6.010 1.00 1.26 H new ATOM 0 HD3 ARG A 62 -1.445 5.167 6.914 1.00 1.26 H new ATOM 0 HE ARG A 62 -2.153 2.309 7.258 1.00 1.55 H new ATOM 0 HH11 ARG A 62 -2.721 5.642 8.391 1.00 1.57 H new ATOM 0 HH12 ARG A 62 -3.465 5.061 9.885 1.00 1.57 H new ATOM 0 HH21 ARG A 62 -3.027 1.672 9.101 1.00 1.92 H new ATOM 0 HH22 ARG A 62 -3.635 2.837 10.282 1.00 1.92 H new ATOM 926 N ALA A 63 -1.311 7.432 5.575 1.00 0.54 N ATOM 927 CA ALA A 63 -0.017 7.815 6.146 1.00 0.76 C ATOM 928 C ALA A 63 0.410 9.257 5.795 1.00 0.96 C ATOM 929 O ALA A 63 1.458 9.696 6.260 1.00 1.20 O ATOM 930 CB ALA A 63 1.013 6.778 5.677 1.00 0.81 C ATOM 0 H ALA A 63 -1.275 7.289 4.566 1.00 0.54 H new ATOM 0 HA ALA A 63 -0.093 7.819 7.233 1.00 0.76 H new ATOM 0 HB1 ALA A 63 1.993 7.029 6.083 1.00 0.81 H new ATOM 0 HB2 ALA A 63 0.718 5.789 6.027 1.00 0.81 H new ATOM 0 HB3 ALA A 63 1.060 6.779 4.588 1.00 0.81 H new ATOM 936 N GLY A 64 -0.349 9.976 4.959 1.00 0.95 N ATOM 937 CA GLY A 64 0.093 11.223 4.326 1.00 1.14 C ATOM 938 C GLY A 64 0.974 10.943 3.110 1.00 0.99 C ATOM 939 O GLY A 64 1.530 11.867 2.521 1.00 1.15 O ATOM 0 H GLY A 64 -1.298 9.705 4.701 1.00 0.95 H new ATOM 0 HA2 GLY A 64 -0.775 11.807 4.022 1.00 1.14 H new ATOM 0 HA3 GLY A 64 0.645 11.824 5.048 1.00 1.14 H new ATOM 943 N TYR A 65 1.106 9.667 2.737 1.00 0.77 N ATOM 944 CA TYR A 65 1.910 9.196 1.623 1.00 0.77 C ATOM 945 C TYR A 65 1.089 9.080 0.325 1.00 0.78 C ATOM 946 O TYR A 65 -0.142 9.016 0.356 1.00 0.98 O ATOM 947 CB TYR A 65 2.528 7.840 2.002 1.00 0.86 C ATOM 948 CG TYR A 65 3.477 7.773 3.190 1.00 0.93 C ATOM 949 CD1 TYR A 65 4.172 8.899 3.681 1.00 2.00 C ATOM 950 CD2 TYR A 65 3.692 6.516 3.790 1.00 2.31 C ATOM 951 CE1 TYR A 65 5.078 8.761 4.751 1.00 1.98 C ATOM 952 CE2 TYR A 65 4.605 6.371 4.845 1.00 2.54 C ATOM 953 CZ TYR A 65 5.310 7.490 5.325 1.00 1.38 C ATOM 954 OH TYR A 65 6.242 7.304 6.297 1.00 1.73 O ATOM 0 H TYR A 65 0.633 8.908 3.228 1.00 0.77 H new ATOM 0 HA TYR A 65 2.697 9.924 1.427 1.00 0.77 H new ATOM 0 HB2 TYR A 65 1.709 7.146 2.194 1.00 0.86 H new ATOM 0 HB3 TYR A 65 3.064 7.466 1.130 1.00 0.86 H new ATOM 0 HD1 TYR A 65 4.009 9.869 3.235 1.00 2.00 H new ATOM 0 HD2 TYR A 65 3.147 5.654 3.433 1.00 2.31 H new ATOM 0 HE1 TYR A 65 5.596 9.628 5.134 1.00 1.98 H new ATOM 0 HE2 TYR A 65 4.767 5.400 5.289 1.00 2.54 H new ATOM 0 HH TYR A 65 7.021 7.871 6.116 1.00 1.73 H new ATOM 964 N HIS A 66 1.770 8.997 -0.830 1.00 0.68 N ATOM 965 CA HIS A 66 1.118 8.889 -2.148 1.00 0.64 C ATOM 966 C HIS A 66 1.687 7.723 -2.958 1.00 0.59 C ATOM 967 O HIS A 66 2.828 7.312 -2.775 1.00 0.73 O ATOM 968 CB HIS A 66 1.180 10.248 -2.892 1.00 0.81 C ATOM 969 CG HIS A 66 0.654 11.359 -2.026 1.00 0.86 C ATOM 970 ND1 HIS A 66 1.392 12.168 -1.173 1.00 2.26 N ATOM 971 CD2 HIS A 66 -0.655 11.457 -1.664 1.00 1.32 C ATOM 972 CE1 HIS A 66 0.532 12.699 -0.278 1.00 2.62 C ATOM 973 NE2 HIS A 66 -0.720 12.282 -0.562 1.00 1.67 N ATOM 0 H HIS A 66 2.789 9.003 -0.877 1.00 0.68 H new ATOM 0 HA HIS A 66 0.062 8.657 -2.005 1.00 0.64 H new ATOM 0 HB2 HIS A 66 2.209 10.463 -3.180 1.00 0.81 H new ATOM 0 HB3 HIS A 66 0.597 10.191 -3.811 1.00 0.81 H new ATOM 0 HD1 HIS A 66 2.398 12.331 -1.215 1.00 2.26 H new ATOM 0 HD2 HIS A 66 -1.490 10.976 -2.152 1.00 1.32 H new ATOM 0 HE1 HIS A 66 0.803 13.354 0.537 1.00 2.62 H new ATOM 982 N ALA A 67 0.899 7.179 -3.881 1.00 0.55 N ATOM 983 CA ALA A 67 1.356 6.168 -4.838 1.00 0.58 C ATOM 984 C ALA A 67 2.185 6.814 -5.969 1.00 0.64 C ATOM 985 O ALA A 67 1.743 7.808 -6.544 1.00 0.90 O ATOM 986 CB ALA A 67 0.098 5.474 -5.386 1.00 0.69 C ATOM 0 H ALA A 67 -0.084 7.428 -3.989 1.00 0.55 H new ATOM 0 HA ALA A 67 2.011 5.442 -4.357 1.00 0.58 H new ATOM 0 HB1 ALA A 67 0.389 4.709 -6.106 1.00 0.69 H new ATOM 0 HB2 ALA A 67 -0.449 5.010 -4.565 1.00 0.69 H new ATOM 0 HB3 ALA A 67 -0.539 6.210 -5.876 1.00 0.69 H new ATOM 992 N ARG A 68 3.347 6.244 -6.330 1.00 0.56 N ATOM 993 CA ARG A 68 4.133 6.665 -7.504 1.00 0.67 C ATOM 994 C ARG A 68 4.604 5.489 -8.362 1.00 0.63 C ATOM 995 O ARG A 68 5.087 4.471 -7.880 1.00 0.69 O ATOM 996 CB ARG A 68 5.280 7.621 -7.121 1.00 1.08 C ATOM 997 CG ARG A 68 6.364 7.157 -6.125 1.00 1.37 C ATOM 998 CD ARG A 68 7.361 8.318 -5.955 1.00 2.15 C ATOM 999 NE ARG A 68 8.484 8.067 -5.026 1.00 3.18 N ATOM 1000 CZ ARG A 68 9.135 9.006 -4.341 1.00 3.82 C ATOM 1001 NH1 ARG A 68 8.683 10.235 -4.187 1.00 3.96 N ATOM 1002 NH2 ARG A 68 10.286 8.741 -3.789 1.00 4.98 N ATOM 0 H ARG A 68 3.771 5.474 -5.813 1.00 0.56 H new ATOM 0 HA ARG A 68 3.453 7.234 -8.138 1.00 0.67 H new ATOM 0 HB2 ARG A 68 5.786 7.907 -8.043 1.00 1.08 H new ATOM 0 HB3 ARG A 68 4.828 8.524 -6.712 1.00 1.08 H new ATOM 0 HG2 ARG A 68 5.917 6.892 -5.167 1.00 1.37 H new ATOM 0 HG3 ARG A 68 6.871 6.267 -6.497 1.00 1.37 H new ATOM 0 HD2 ARG A 68 7.772 8.566 -6.934 1.00 2.15 H new ATOM 0 HD3 ARG A 68 6.814 9.194 -5.607 1.00 2.15 H new ATOM 0 HE ARG A 68 8.783 7.100 -4.900 1.00 3.18 H new ATOM 0 HH11 ARG A 68 7.792 10.507 -4.603 1.00 3.96 H new ATOM 0 HH12 ARG A 68 9.224 10.914 -3.652 1.00 3.96 H new ATOM 0 HH21 ARG A 68 10.693 7.810 -3.880 1.00 4.98 H new ATOM 0 HH22 ARG A 68 10.779 9.464 -3.266 1.00 4.98 H new ATOM 1016 N VAL A 69 4.463 5.607 -9.678 1.00 0.83 N ATOM 1017 CA VAL A 69 4.777 4.535 -10.608 1.00 1.00 C ATOM 1018 C VAL A 69 6.284 4.346 -10.748 1.00 1.19 C ATOM 1019 O VAL A 69 7.044 5.313 -10.794 1.00 1.51 O ATOM 1020 CB VAL A 69 4.106 4.785 -11.974 1.00 1.43 C ATOM 1021 CG1 VAL A 69 2.589 4.563 -11.867 1.00 1.35 C ATOM 1022 CG2 VAL A 69 4.391 6.174 -12.573 1.00 2.64 C ATOM 0 H VAL A 69 4.125 6.457 -10.130 1.00 0.83 H new ATOM 0 HA VAL A 69 4.374 3.607 -10.204 1.00 1.00 H new ATOM 0 HB VAL A 69 4.550 4.063 -12.660 1.00 1.43 H new ATOM 0 HG11 VAL A 69 2.126 4.742 -12.837 1.00 1.35 H new ATOM 0 HG12 VAL A 69 2.393 3.537 -11.555 1.00 1.35 H new ATOM 0 HG13 VAL A 69 2.171 5.252 -11.133 1.00 1.35 H new ATOM 0 HG21 VAL A 69 3.883 6.268 -13.533 1.00 2.64 H new ATOM 0 HG22 VAL A 69 4.028 6.945 -11.893 1.00 2.64 H new ATOM 0 HG23 VAL A 69 5.465 6.294 -12.718 1.00 2.64 H new ATOM 1032 N LEU A 70 6.684 3.075 -10.829 1.00 1.14 N ATOM 1033 CA LEU A 70 8.050 2.666 -11.130 1.00 1.37 C ATOM 1034 C LEU A 70 8.166 2.416 -12.638 1.00 1.42 C ATOM 1035 O LEU A 70 7.210 1.977 -13.275 1.00 1.44 O ATOM 1036 CB LEU A 70 8.446 1.496 -10.206 1.00 1.38 C ATOM 1037 CG LEU A 70 8.003 0.062 -10.569 1.00 1.28 C ATOM 1038 CD1 LEU A 70 8.955 -0.592 -11.588 1.00 1.57 C ATOM 1039 CD2 LEU A 70 8.003 -0.816 -9.306 1.00 1.54 C ATOM 0 H LEU A 70 6.051 2.288 -10.684 1.00 1.14 H new ATOM 0 HA LEU A 70 8.783 3.443 -10.914 1.00 1.37 H new ATOM 0 HB2 LEU A 70 9.533 1.493 -10.129 1.00 1.38 H new ATOM 0 HB3 LEU A 70 8.057 1.717 -9.212 1.00 1.38 H new ATOM 0 HG LEU A 70 7.006 0.136 -11.004 1.00 1.28 H new ATOM 0 HD11 LEU A 70 8.607 -1.600 -11.816 1.00 1.57 H new ATOM 0 HD12 LEU A 70 8.973 0.001 -12.502 1.00 1.57 H new ATOM 0 HD13 LEU A 70 9.960 -0.641 -11.168 1.00 1.57 H new ATOM 0 HD21 LEU A 70 7.690 -1.827 -9.566 1.00 1.54 H new ATOM 0 HD22 LEU A 70 9.007 -0.845 -8.883 1.00 1.54 H new ATOM 0 HD23 LEU A 70 7.312 -0.399 -8.573 1.00 1.54 H new ATOM 1051 N LYS A 71 9.313 2.731 -13.240 1.00 2.04 N ATOM 1052 CA LYS A 71 9.449 2.915 -14.698 1.00 2.22 C ATOM 1053 C LYS A 71 9.509 1.610 -15.535 1.00 2.47 C ATOM 1054 O LYS A 71 10.506 1.336 -16.201 1.00 3.76 O ATOM 1055 CB LYS A 71 10.602 3.907 -14.976 1.00 4.12 C ATOM 1056 CG LYS A 71 11.978 3.481 -14.425 1.00 6.04 C ATOM 1057 CD LYS A 71 13.075 4.524 -14.690 1.00 7.96 C ATOM 1058 CE LYS A 71 13.362 4.702 -16.189 1.00 8.77 C ATOM 1059 NZ LYS A 71 14.463 5.671 -16.421 1.00 10.12 N ATOM 0 H LYS A 71 10.186 2.868 -12.731 1.00 2.04 H new ATOM 0 HA LYS A 71 8.518 3.351 -15.059 1.00 2.22 H new ATOM 0 HB2 LYS A 71 10.687 4.048 -16.053 1.00 4.12 H new ATOM 0 HB3 LYS A 71 10.340 4.874 -14.547 1.00 4.12 H new ATOM 0 HG2 LYS A 71 11.897 3.310 -13.351 1.00 6.04 H new ATOM 0 HG3 LYS A 71 12.268 2.533 -14.878 1.00 6.04 H new ATOM 0 HD2 LYS A 71 12.774 5.481 -14.264 1.00 7.96 H new ATOM 0 HD3 LYS A 71 13.990 4.223 -14.181 1.00 7.96 H new ATOM 0 HE2 LYS A 71 13.625 3.739 -16.627 1.00 8.77 H new ATOM 0 HE3 LYS A 71 12.460 5.047 -16.695 1.00 8.77 H new ATOM 0 HZ1 LYS A 71 14.631 5.768 -17.443 1.00 10.12 H new ATOM 0 HZ2 LYS A 71 14.201 6.596 -16.024 1.00 10.12 H new ATOM 0 HZ3 LYS A 71 15.330 5.329 -15.959 1.00 10.12 H new ATOM 1073 N GLN A 72 8.438 0.813 -15.526 1.00 2.83 N ATOM 1074 CA GLN A 72 8.322 -0.444 -16.276 1.00 4.36 C ATOM 1075 C GLN A 72 7.132 -0.443 -17.249 1.00 4.69 C ATOM 1076 O GLN A 72 6.114 0.190 -16.978 1.00 5.26 O ATOM 1077 CB GLN A 72 8.171 -1.612 -15.283 1.00 5.78 C ATOM 1078 CG GLN A 72 6.867 -1.545 -14.456 1.00 7.42 C ATOM 1079 CD GLN A 72 6.668 -2.764 -13.570 1.00 8.57 C ATOM 1080 OE1 GLN A 72 6.951 -3.886 -13.944 1.00 8.81 O ATOM 1081 NE2 GLN A 72 6.147 -2.600 -12.374 1.00 9.71 N ATOM 0 H GLN A 72 7.603 1.029 -14.982 1.00 2.83 H new ATOM 0 HA GLN A 72 9.227 -0.556 -16.872 1.00 4.36 H new ATOM 0 HB2 GLN A 72 8.197 -2.553 -15.833 1.00 5.78 H new ATOM 0 HB3 GLN A 72 9.024 -1.616 -14.604 1.00 5.78 H new ATOM 0 HG2 GLN A 72 6.881 -0.649 -13.835 1.00 7.42 H new ATOM 0 HG3 GLN A 72 6.018 -1.451 -15.133 1.00 7.42 H new ATOM 0 HE21 GLN A 72 5.905 -1.665 -12.047 1.00 9.71 H new ATOM 0 HE22 GLN A 72 5.985 -3.408 -11.773 1.00 9.71 H new ATOM 1090 N GLN A 73 7.221 -1.259 -18.304 1.00 5.04 N ATOM 1091 CA GLN A 73 6.111 -1.807 -19.087 1.00 5.80 C ATOM 1092 C GLN A 73 6.679 -2.882 -20.031 1.00 6.21 C ATOM 1093 O GLN A 73 7.873 -2.869 -20.312 1.00 5.97 O ATOM 1094 CB GLN A 73 5.323 -0.716 -19.850 1.00 5.99 C ATOM 1095 CG GLN A 73 3.995 -1.255 -20.415 1.00 7.10 C ATOM 1096 CD GLN A 73 2.951 -0.164 -20.638 1.00 8.18 C ATOM 1097 OE1 GLN A 73 2.571 0.152 -21.748 1.00 8.62 O ATOM 1098 NE2 GLN A 73 2.430 0.435 -19.588 1.00 9.23 N ATOM 0 H GLN A 73 8.126 -1.573 -18.655 1.00 5.04 H new ATOM 0 HA GLN A 73 5.382 -2.256 -18.412 1.00 5.80 H new ATOM 0 HB2 GLN A 73 5.120 0.120 -19.181 1.00 5.99 H new ATOM 0 HB3 GLN A 73 5.934 -0.330 -20.666 1.00 5.99 H new ATOM 0 HG2 GLN A 73 4.189 -1.762 -21.360 1.00 7.10 H new ATOM 0 HG3 GLN A 73 3.592 -2.001 -19.730 1.00 7.10 H new ATOM 0 HE21 GLN A 73 2.739 0.180 -18.650 1.00 9.23 H new ATOM 0 HE22 GLN A 73 1.717 1.154 -19.712 1.00 9.23 H new TER 1107 GLN A 73