USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 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 71 LYS NZ :NH3+ 175:sc= 0.774 (180deg=-0.00517) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.451 K(o=1.2,f=-3.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.463 (180deg=0.315) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot -80:sc= -0.045 USER MOD Single : A 6 ASN : amide:sc=-0.00882 X(o=-0.0088,f=-0.04) USER MOD Single : A 8 GLN : amide:sc= 1.21 K(o=1.2,f=-1.7!) USER MOD Single : A 12 MET CE :methyl 178:sc= 0 (180deg=-0.00671) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.369 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.108 USER MOD Single : A 19 SER OG : rot -76:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 0.0509 (180deg=-0.0667) USER MOD Single : A 32 GLN : amide:sc= -0.454! C(o=-0.45!,f=-1.5!) USER MOD Single : A 33 SER OG : rot 46:sc= 1.31 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0906 USER MOD Single : A 35 GLN : amide:sc= 0.825 K(o=0.82,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.338 K(o=0.34,f=-4.3!) USER MOD Single : A 42 GLN : amide:sc= -0.961 K(o=-0.96,f=-0.076) USER MOD Single : A 46 SER OG : rot 50:sc= 0.119 USER MOD Single : A 47 TYR OH : rot 124:sc= 0.585 USER MOD Single : A 48 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.8!) USER MOD Single : A 51 THR OG1 : rot -40:sc= 1.23 USER MOD Single : A 52 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 54 GLN : amide:sc=-0.00347 X(o=-0.0035,f=-0.31) USER MOD Single : A 57 THR OG1 : rot -116:sc= 1.24 USER MOD Single : A 65 TYR OH : rot -178:sc= 0.799 USER MOD Single : A 66 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-3.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.990 -12.978 -11.587 1.00 5.24 N ATOM 2 CA MET A 1 -8.734 -13.321 -10.354 1.00 4.79 C ATOM 3 C MET A 1 -7.700 -13.460 -9.255 1.00 3.79 C ATOM 4 O MET A 1 -6.710 -14.147 -9.481 1.00 3.92 O ATOM 5 CB MET A 1 -9.636 -14.558 -10.503 1.00 5.55 C ATOM 6 CG MET A 1 -8.898 -15.890 -10.699 1.00 5.61 C ATOM 7 SD MET A 1 -10.017 -17.272 -11.030 1.00 6.80 S ATOM 8 CE MET A 1 -8.835 -18.648 -11.000 1.00 7.07 C ATOM 0 H1 MET A 1 -8.653 -12.625 -12.306 1.00 5.24 H new ATOM 0 H2 MET A 1 -7.286 -12.243 -11.374 1.00 5.24 H new ATOM 0 H3 MET A 1 -7.507 -13.825 -11.948 1.00 5.24 H new ATOM 0 HA MET A 1 -9.445 -12.532 -10.111 1.00 4.79 H new ATOM 0 HB2 MET A 1 -10.265 -14.637 -9.616 1.00 5.55 H new ATOM 0 HB3 MET A 1 -10.301 -14.402 -11.352 1.00 5.55 H new ATOM 0 HG2 MET A 1 -8.195 -15.792 -11.526 1.00 5.61 H new ATOM 0 HG3 MET A 1 -8.312 -16.109 -9.807 1.00 5.61 H new ATOM 0 HE1 MET A 1 -9.361 -19.584 -11.188 1.00 7.07 H new ATOM 0 HE2 MET A 1 -8.079 -18.495 -11.771 1.00 7.07 H new ATOM 0 HE3 MET A 1 -8.353 -18.693 -10.023 1.00 7.07 H new ATOM 20 N ALA A 2 -7.827 -12.622 -8.217 1.00 3.94 N ATOM 21 CA ALA A 2 -6.703 -11.825 -7.689 1.00 3.34 C ATOM 22 C ALA A 2 -6.067 -10.937 -8.789 1.00 2.47 C ATOM 23 O ALA A 2 -6.297 -11.170 -9.981 1.00 3.19 O ATOM 24 CB ALA A 2 -5.669 -12.721 -6.990 1.00 3.64 C ATOM 0 H ALA A 2 -8.705 -12.475 -7.720 1.00 3.94 H new ATOM 0 HA ALA A 2 -7.099 -11.146 -6.934 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -4.852 -12.107 -6.611 1.00 3.64 H new ATOM 0 HB2 ALA A 2 -6.144 -13.246 -6.161 1.00 3.64 H new ATOM 0 HB3 ALA A 2 -5.277 -13.447 -7.702 1.00 3.64 H new ATOM 30 N GLN A 3 -5.291 -9.922 -8.400 1.00 1.53 N ATOM 31 CA GLN A 3 -4.497 -9.057 -9.287 1.00 0.95 C ATOM 32 C GLN A 3 -3.738 -8.046 -8.434 1.00 0.82 C ATOM 33 O GLN A 3 -4.356 -7.274 -7.705 1.00 1.07 O ATOM 34 CB GLN A 3 -5.323 -8.354 -10.388 1.00 1.65 C ATOM 35 CG GLN A 3 -6.600 -7.635 -9.918 1.00 1.85 C ATOM 36 CD GLN A 3 -7.384 -7.113 -11.113 1.00 3.29 C ATOM 37 OE1 GLN A 3 -8.122 -7.841 -11.757 1.00 3.75 O ATOM 38 NE2 GLN A 3 -7.223 -5.862 -11.487 1.00 4.61 N ATOM 0 H GLN A 3 -5.192 -9.667 -7.417 1.00 1.53 H new ATOM 0 HA GLN A 3 -3.801 -9.697 -9.830 1.00 0.95 H new ATOM 0 HB2 GLN A 3 -4.682 -7.626 -10.886 1.00 1.65 H new ATOM 0 HB3 GLN A 3 -5.602 -9.097 -11.135 1.00 1.65 H new ATOM 0 HG2 GLN A 3 -7.219 -8.321 -9.340 1.00 1.85 H new ATOM 0 HG3 GLN A 3 -6.338 -6.808 -9.258 1.00 1.85 H new ATOM 0 HE21 GLN A 3 -6.608 -5.246 -10.955 1.00 4.61 H new ATOM 0 HE22 GLN A 3 -7.713 -5.508 -12.309 1.00 4.61 H new ATOM 47 N THR A 4 -2.405 -8.065 -8.480 1.00 0.80 N ATOM 48 CA THR A 4 -1.571 -7.234 -7.611 1.00 0.77 C ATOM 49 C THR A 4 -1.103 -6.005 -8.365 1.00 0.83 C ATOM 50 O THR A 4 -0.798 -6.059 -9.552 1.00 1.08 O ATOM 51 CB THR A 4 -0.433 -8.064 -6.996 1.00 0.87 C ATOM 52 OG1 THR A 4 0.304 -7.225 -6.154 1.00 1.06 O ATOM 53 CG2 THR A 4 0.535 -8.676 -8.013 1.00 1.15 C ATOM 0 H THR A 4 -1.874 -8.656 -9.120 1.00 0.80 H new ATOM 0 HA THR A 4 -2.157 -6.871 -6.766 1.00 0.77 H new ATOM 0 HB THR A 4 -0.904 -8.898 -6.476 1.00 0.87 H new ATOM 0 HG1 THR A 4 0.920 -6.683 -6.690 1.00 1.06 H new ATOM 0 HG21 THR A 4 1.304 -9.243 -7.488 1.00 1.15 H new ATOM 0 HG22 THR A 4 -0.012 -9.340 -8.682 1.00 1.15 H new ATOM 0 HG23 THR A 4 1.004 -7.881 -8.593 1.00 1.15 H new ATOM 61 N ILE A 5 -1.046 -4.887 -7.651 1.00 0.69 N ATOM 62 CA ILE A 5 -0.338 -3.693 -8.085 1.00 0.72 C ATOM 63 C ILE A 5 1.036 -3.760 -7.427 1.00 0.56 C ATOM 64 O ILE A 5 1.127 -3.779 -6.197 1.00 0.55 O ATOM 65 CB ILE A 5 -1.098 -2.399 -7.694 1.00 0.87 C ATOM 66 CG1 ILE A 5 -2.607 -2.425 -8.029 1.00 1.18 C ATOM 67 CG2 ILE A 5 -0.428 -1.183 -8.359 1.00 0.95 C ATOM 68 CD1 ILE A 5 -2.965 -2.651 -9.505 1.00 1.37 C ATOM 0 H ILE A 5 -1.497 -4.785 -6.742 1.00 0.69 H new ATOM 0 HA ILE A 5 -0.254 -3.659 -9.171 1.00 0.72 H new ATOM 0 HB ILE A 5 -1.037 -2.325 -6.608 1.00 0.87 H new ATOM 0 HG12 ILE A 5 -3.077 -3.211 -7.437 1.00 1.18 H new ATOM 0 HG13 ILE A 5 -3.046 -1.480 -7.710 1.00 1.18 H new ATOM 0 HG21 ILE A 5 -0.964 -0.275 -8.082 1.00 0.95 H new ATOM 0 HG22 ILE A 5 0.607 -1.109 -8.024 1.00 0.95 H new ATOM 0 HG23 ILE A 5 -0.451 -1.302 -9.442 1.00 0.95 H new ATOM 0 HD11 ILE A 5 -4.049 -2.650 -9.621 1.00 1.37 H new ATOM 0 HD12 ILE A 5 -2.535 -1.853 -10.110 1.00 1.37 H new ATOM 0 HD13 ILE A 5 -2.566 -3.611 -9.833 1.00 1.37 H new ATOM 80 N ASN A 6 2.083 -3.790 -8.250 1.00 0.69 N ATOM 81 CA ASN A 6 3.441 -3.439 -7.843 1.00 0.56 C ATOM 82 C ASN A 6 3.801 -2.036 -8.345 1.00 0.49 C ATOM 83 O ASN A 6 3.513 -1.669 -9.488 1.00 0.71 O ATOM 84 CB ASN A 6 4.466 -4.499 -8.279 1.00 0.67 C ATOM 85 CG ASN A 6 4.414 -4.898 -9.753 1.00 0.96 C ATOM 86 OD1 ASN A 6 4.166 -6.049 -10.074 1.00 2.31 O ATOM 87 ND2 ASN A 6 4.624 -3.992 -10.694 1.00 1.45 N ATOM 0 H ASN A 6 2.010 -4.062 -9.230 1.00 0.69 H new ATOM 0 HA ASN A 6 3.476 -3.421 -6.754 1.00 0.56 H new ATOM 0 HB2 ASN A 6 5.466 -4.125 -8.057 1.00 0.67 H new ATOM 0 HB3 ASN A 6 4.318 -5.393 -7.673 1.00 0.67 H new ATOM 0 HD21 ASN A 6 4.578 -4.258 -11.678 1.00 1.45 H new ATOM 0 HD22 ASN A 6 4.832 -3.027 -10.436 1.00 1.45 H new ATOM 94 N LEU A 7 4.442 -1.251 -7.485 1.00 0.50 N ATOM 95 CA LEU A 7 4.625 0.188 -7.648 1.00 0.44 C ATOM 96 C LEU A 7 5.700 0.702 -6.684 1.00 0.46 C ATOM 97 O LEU A 7 6.256 -0.068 -5.912 1.00 0.59 O ATOM 98 CB LEU A 7 3.254 0.896 -7.525 1.00 0.50 C ATOM 99 CG LEU A 7 2.643 1.042 -6.114 1.00 0.70 C ATOM 100 CD1 LEU A 7 1.358 1.865 -6.228 1.00 0.75 C ATOM 101 CD2 LEU A 7 2.318 -0.284 -5.415 1.00 0.80 C ATOM 0 H LEU A 7 4.862 -1.610 -6.628 1.00 0.50 H new ATOM 0 HA LEU A 7 5.001 0.422 -8.644 1.00 0.44 H new ATOM 0 HB2 LEU A 7 3.353 1.894 -7.952 1.00 0.50 H new ATOM 0 HB3 LEU A 7 2.540 0.353 -8.145 1.00 0.50 H new ATOM 0 HG LEU A 7 3.400 1.528 -5.499 1.00 0.70 H new ATOM 0 HD11 LEU A 7 0.911 1.980 -5.241 1.00 0.75 H new ATOM 0 HD12 LEU A 7 1.591 2.848 -6.637 1.00 0.75 H new ATOM 0 HD13 LEU A 7 0.656 1.354 -6.887 1.00 0.75 H new ATOM 0 HD21 LEU A 7 1.894 -0.082 -4.431 1.00 0.80 H new ATOM 0 HD22 LEU A 7 1.599 -0.844 -6.013 1.00 0.80 H new ATOM 0 HD23 LEU A 7 3.230 -0.870 -5.303 1.00 0.80 H new ATOM 113 N GLN A 8 6.014 1.990 -6.737 1.00 0.41 N ATOM 114 CA GLN A 8 6.811 2.712 -5.748 1.00 0.41 C ATOM 115 C GLN A 8 5.890 3.492 -4.810 1.00 0.42 C ATOM 116 O GLN A 8 4.682 3.571 -5.037 1.00 0.61 O ATOM 117 CB GLN A 8 7.873 3.551 -6.466 1.00 0.46 C ATOM 118 CG GLN A 8 9.054 2.654 -6.863 1.00 0.62 C ATOM 119 CD GLN A 8 9.944 3.322 -7.903 1.00 0.89 C ATOM 120 OE1 GLN A 8 9.961 2.952 -9.067 1.00 1.18 O ATOM 121 NE2 GLN A 8 10.685 4.344 -7.546 1.00 1.14 N ATOM 0 H GLN A 8 5.707 2.588 -7.504 1.00 0.41 H new ATOM 0 HA GLN A 8 7.363 2.028 -5.103 1.00 0.41 H new ATOM 0 HB2 GLN A 8 7.444 4.018 -7.352 1.00 0.46 H new ATOM 0 HB3 GLN A 8 8.216 4.356 -5.816 1.00 0.46 H new ATOM 0 HG2 GLN A 8 9.644 2.416 -5.978 1.00 0.62 H new ATOM 0 HG3 GLN A 8 8.678 1.710 -7.258 1.00 0.62 H new ATOM 0 HE21 GLN A 8 10.680 4.664 -6.577 1.00 1.14 H new ATOM 0 HE22 GLN A 8 11.266 4.819 -8.237 1.00 1.14 H new ATOM 130 N LEU A 9 6.445 4.070 -3.749 1.00 0.42 N ATOM 131 CA LEU A 9 5.643 4.561 -2.630 1.00 0.44 C ATOM 132 C LEU A 9 6.218 5.889 -2.137 1.00 0.50 C ATOM 133 O LEU A 9 7.207 5.921 -1.408 1.00 0.83 O ATOM 134 CB LEU A 9 5.545 3.434 -1.583 1.00 0.59 C ATOM 135 CG LEU A 9 4.448 3.621 -0.516 1.00 0.77 C ATOM 136 CD1 LEU A 9 4.031 2.246 0.020 1.00 1.90 C ATOM 137 CD2 LEU A 9 4.918 4.495 0.654 1.00 1.30 C ATOM 0 H LEU A 9 7.449 4.211 -3.639 1.00 0.42 H new ATOM 0 HA LEU A 9 4.617 4.797 -2.911 1.00 0.44 H new ATOM 0 HB2 LEU A 9 5.367 2.492 -2.102 1.00 0.59 H new ATOM 0 HB3 LEU A 9 6.507 3.343 -1.079 1.00 0.59 H new ATOM 0 HG LEU A 9 3.607 4.127 -0.990 1.00 0.77 H new ATOM 0 HD11 LEU A 9 3.255 2.370 0.775 1.00 1.90 H new ATOM 0 HD12 LEU A 9 3.646 1.638 -0.799 1.00 1.90 H new ATOM 0 HD13 LEU A 9 4.895 1.752 0.465 1.00 1.90 H new ATOM 0 HD21 LEU A 9 4.111 4.597 1.379 1.00 1.30 H new ATOM 0 HD22 LEU A 9 5.779 4.029 1.133 1.00 1.30 H new ATOM 0 HD23 LEU A 9 5.199 5.480 0.282 1.00 1.30 H new ATOM 149 N GLU A 10 5.621 6.991 -2.592 1.00 0.63 N ATOM 150 CA GLU A 10 6.212 8.326 -2.487 1.00 0.72 C ATOM 151 C GLU A 10 5.654 9.164 -1.328 1.00 0.79 C ATOM 152 O GLU A 10 4.630 8.839 -0.727 1.00 0.81 O ATOM 153 CB GLU A 10 6.197 9.029 -3.852 1.00 1.30 C ATOM 154 CG GLU A 10 4.848 9.355 -4.501 1.00 2.05 C ATOM 155 CD GLU A 10 5.011 9.644 -6.002 1.00 2.77 C ATOM 156 OE1 GLU A 10 6.131 9.998 -6.437 1.00 3.04 O ATOM 157 OE2 GLU A 10 4.045 9.377 -6.748 1.00 4.03 O ATOM 0 H GLU A 10 4.708 6.983 -3.047 1.00 0.63 H new ATOM 0 HA GLU A 10 7.259 8.203 -2.210 1.00 0.72 H new ATOM 0 HB2 GLU A 10 6.747 9.964 -3.747 1.00 1.30 H new ATOM 0 HB3 GLU A 10 6.757 8.406 -4.550 1.00 1.30 H new ATOM 0 HG2 GLU A 10 4.162 8.519 -4.361 1.00 2.05 H new ATOM 0 HG3 GLU A 10 4.403 10.219 -4.007 1.00 2.05 H new ATOM 164 N GLY A 11 6.393 10.209 -0.941 1.00 1.32 N ATOM 165 CA GLY A 11 6.187 10.934 0.318 1.00 1.62 C ATOM 166 C GLY A 11 6.776 10.214 1.541 1.00 1.52 C ATOM 167 O GLY A 11 6.880 10.828 2.602 1.00 1.83 O ATOM 0 H GLY A 11 7.161 10.580 -1.500 1.00 1.32 H new ATOM 0 HA2 GLY A 11 6.637 11.923 0.237 1.00 1.62 H new ATOM 0 HA3 GLY A 11 5.118 11.082 0.473 1.00 1.62 H new ATOM 171 N MET A 12 7.180 8.943 1.406 1.00 1.32 N ATOM 172 CA MET A 12 7.742 8.128 2.492 1.00 1.30 C ATOM 173 C MET A 12 8.991 8.775 3.118 1.00 1.32 C ATOM 174 O MET A 12 9.760 9.449 2.426 1.00 2.29 O ATOM 175 CB MET A 12 7.938 6.682 2.005 1.00 1.54 C ATOM 176 CG MET A 12 9.230 6.437 1.221 1.00 2.01 C ATOM 177 SD MET A 12 10.648 5.992 2.258 1.00 2.99 S ATOM 178 CE MET A 12 11.898 5.927 0.951 1.00 4.30 C ATOM 0 H MET A 12 7.124 8.442 0.519 1.00 1.32 H new ATOM 0 HA MET A 12 7.033 8.084 3.319 1.00 1.30 H new ATOM 0 HB2 MET A 12 7.923 6.018 2.869 1.00 1.54 H new ATOM 0 HB3 MET A 12 7.091 6.407 1.376 1.00 1.54 H new ATOM 0 HG2 MET A 12 9.058 5.640 0.497 1.00 2.01 H new ATOM 0 HG3 MET A 12 9.475 7.335 0.654 1.00 2.01 H new ATOM 0 HE1 MET A 12 12.870 5.699 1.388 1.00 4.30 H new ATOM 0 HE2 MET A 12 11.633 5.152 0.232 1.00 4.30 H new ATOM 0 HE3 MET A 12 11.945 6.891 0.444 1.00 4.30 H new ATOM 188 N ARG A 13 9.167 8.630 4.445 1.00 1.04 N ATOM 189 CA ARG A 13 10.264 9.317 5.155 1.00 1.29 C ATOM 190 C ARG A 13 10.578 8.881 6.592 1.00 1.27 C ATOM 191 O ARG A 13 11.730 9.021 6.997 1.00 2.01 O ATOM 192 CB ARG A 13 10.041 10.848 5.108 1.00 1.87 C ATOM 193 CG ARG A 13 11.303 11.568 4.610 1.00 2.46 C ATOM 194 CD ARG A 13 11.010 13.043 4.312 1.00 3.31 C ATOM 195 NE ARG A 13 12.166 13.704 3.677 1.00 4.12 N ATOM 196 CZ ARG A 13 13.203 14.280 4.278 1.00 5.23 C ATOM 197 NH1 ARG A 13 13.327 14.327 5.590 1.00 6.02 N ATOM 198 NH2 ARG A 13 14.151 14.824 3.546 1.00 6.20 N ATOM 0 H ARG A 13 8.574 8.052 5.040 1.00 1.04 H new ATOM 0 HA ARG A 13 11.151 9.006 4.602 1.00 1.29 H new ATOM 0 HB2 ARG A 13 9.202 11.078 4.451 1.00 1.87 H new ATOM 0 HB3 ARG A 13 9.777 11.212 6.101 1.00 1.87 H new ATOM 0 HG2 ARG A 13 12.089 11.494 5.361 1.00 2.46 H new ATOM 0 HG3 ARG A 13 11.675 11.078 3.710 1.00 2.46 H new ATOM 0 HD2 ARG A 13 10.141 13.118 3.658 1.00 3.31 H new ATOM 0 HD3 ARG A 13 10.757 13.560 5.238 1.00 3.31 H new ATOM 0 HE ARG A 13 12.170 13.721 2.657 1.00 4.12 H new ATOM 0 HH11 ARG A 13 12.611 13.911 6.185 1.00 6.02 H new ATOM 0 HH12 ARG A 13 14.139 14.779 6.010 1.00 6.02 H new ATOM 0 HH21 ARG A 13 14.086 14.801 2.528 1.00 6.20 H new ATOM 0 HH22 ARG A 13 14.951 15.269 3.996 1.00 6.20 H new ATOM 212 N CYS A 14 9.607 8.393 7.384 1.00 1.43 N ATOM 213 CA CYS A 14 9.826 7.967 8.779 1.00 1.61 C ATOM 214 C CYS A 14 8.627 7.212 9.405 1.00 1.91 C ATOM 215 O CYS A 14 7.622 6.967 8.738 1.00 2.85 O ATOM 216 CB CYS A 14 10.227 9.197 9.631 1.00 2.11 C ATOM 217 SG CYS A 14 11.381 8.683 10.935 1.00 3.24 S ATOM 0 H CYS A 14 8.642 8.282 7.073 1.00 1.43 H new ATOM 0 HA CYS A 14 10.637 7.239 8.769 1.00 1.61 H new ATOM 0 HB2 CYS A 14 10.690 9.955 8.999 1.00 2.11 H new ATOM 0 HB3 CYS A 14 9.340 9.650 10.074 1.00 2.11 H new ATOM 0 HG CYS A 14 11.719 9.716 11.648 1.00 3.24 H new ATOM 223 N ALA A 15 8.757 6.917 10.705 1.00 1.99 N ATOM 224 CA ALA A 15 7.729 6.455 11.648 1.00 2.64 C ATOM 225 C ALA A 15 7.198 5.031 11.378 1.00 1.85 C ATOM 226 O ALA A 15 7.463 4.419 10.347 1.00 2.16 O ATOM 227 CB ALA A 15 6.608 7.507 11.725 1.00 3.84 C ATOM 0 H ALA A 15 9.664 7.003 11.164 1.00 1.99 H new ATOM 0 HA ALA A 15 8.204 6.359 12.624 1.00 2.64 H new ATOM 0 HB1 ALA A 15 5.841 7.171 12.423 1.00 3.84 H new ATOM 0 HB2 ALA A 15 7.022 8.455 12.069 1.00 3.84 H new ATOM 0 HB3 ALA A 15 6.166 7.641 10.738 1.00 3.84 H new ATOM 233 N ALA A 16 6.389 4.510 12.308 1.00 1.87 N ATOM 234 CA ALA A 16 5.749 3.190 12.202 1.00 1.56 C ATOM 235 C ALA A 16 4.679 3.090 11.092 1.00 1.29 C ATOM 236 O ALA A 16 4.201 1.994 10.798 1.00 1.35 O ATOM 237 CB ALA A 16 5.165 2.836 13.578 1.00 2.10 C ATOM 0 H ALA A 16 6.156 5.001 13.171 1.00 1.87 H new ATOM 0 HA ALA A 16 6.511 2.470 11.904 1.00 1.56 H new ATOM 0 HB1 ALA A 16 4.683 1.860 13.528 1.00 2.10 H new ATOM 0 HB2 ALA A 16 5.966 2.808 14.317 1.00 2.10 H new ATOM 0 HB3 ALA A 16 4.431 3.589 13.866 1.00 2.10 H new ATOM 243 N CYS A 17 4.304 4.211 10.461 1.00 1.15 N ATOM 244 CA CYS A 17 3.302 4.321 9.409 1.00 1.01 C ATOM 245 C CYS A 17 3.483 3.344 8.236 1.00 0.89 C ATOM 246 O CYS A 17 2.470 2.960 7.661 1.00 0.80 O ATOM 247 CB CYS A 17 3.310 5.778 8.921 1.00 1.18 C ATOM 248 SG CYS A 17 3.024 6.917 10.306 1.00 1.97 S ATOM 0 H CYS A 17 4.720 5.114 10.689 1.00 1.15 H new ATOM 0 HA CYS A 17 2.339 4.039 9.835 1.00 1.01 H new ATOM 0 HB2 CYS A 17 4.266 6.004 8.449 1.00 1.18 H new ATOM 0 HB3 CYS A 17 2.539 5.918 8.163 1.00 1.18 H new ATOM 0 HG CYS A 17 3.037 8.142 9.870 1.00 1.97 H new ATOM 254 N ALA A 18 4.715 2.921 7.908 1.00 1.04 N ATOM 255 CA ALA A 18 5.024 2.082 6.748 1.00 1.05 C ATOM 256 C ALA A 18 4.323 0.719 6.841 1.00 0.83 C ATOM 257 O ALA A 18 3.339 0.476 6.153 1.00 0.75 O ATOM 258 CB ALA A 18 6.553 1.971 6.628 1.00 1.42 C ATOM 0 H ALA A 18 5.540 3.161 8.458 1.00 1.04 H new ATOM 0 HA ALA A 18 4.639 2.538 5.836 1.00 1.05 H new ATOM 0 HB1 ALA A 18 6.806 1.349 5.769 1.00 1.42 H new ATOM 0 HB2 ALA A 18 6.981 2.965 6.495 1.00 1.42 H new ATOM 0 HB3 ALA A 18 6.957 1.520 7.534 1.00 1.42 H new ATOM 264 N SER A 19 4.731 -0.134 7.775 1.00 0.87 N ATOM 265 CA SER A 19 4.036 -1.422 7.974 1.00 0.82 C ATOM 266 C SER A 19 2.644 -1.254 8.620 1.00 0.75 C ATOM 267 O SER A 19 1.832 -2.175 8.615 1.00 0.78 O ATOM 268 CB SER A 19 4.915 -2.432 8.718 1.00 1.12 C ATOM 269 OG SER A 19 6.012 -2.800 7.903 1.00 1.87 O ATOM 0 H SER A 19 5.521 0.028 8.399 1.00 0.87 H new ATOM 0 HA SER A 19 3.852 -1.836 6.983 1.00 0.82 H new ATOM 0 HB2 SER A 19 5.273 -1.999 9.652 1.00 1.12 H new ATOM 0 HB3 SER A 19 4.331 -3.315 8.979 1.00 1.12 H new ATOM 0 HG SER A 19 5.710 -3.424 7.210 1.00 1.87 H new ATOM 275 N SER A 20 2.291 -0.062 9.116 1.00 0.75 N ATOM 276 CA SER A 20 0.897 0.275 9.443 1.00 0.76 C ATOM 277 C SER A 20 -0.042 0.322 8.218 1.00 0.71 C ATOM 278 O SER A 20 -1.263 0.238 8.382 1.00 0.77 O ATOM 279 CB SER A 20 0.842 1.607 10.200 1.00 0.80 C ATOM 280 OG SER A 20 0.144 1.461 11.422 1.00 1.36 O ATOM 0 H SER A 20 2.955 0.690 9.301 1.00 0.75 H new ATOM 0 HA SER A 20 0.530 -0.535 10.074 1.00 0.76 H new ATOM 0 HB2 SER A 20 1.854 1.962 10.394 1.00 0.80 H new ATOM 0 HB3 SER A 20 0.352 2.361 9.584 1.00 0.80 H new ATOM 0 HG SER A 20 0.121 2.321 11.891 1.00 1.36 H new ATOM 286 N ILE A 21 0.498 0.461 7.000 1.00 0.64 N ATOM 287 CA ILE A 21 -0.218 0.232 5.729 1.00 0.62 C ATOM 288 C ILE A 21 -0.551 -1.259 5.623 1.00 0.63 C ATOM 289 O ILE A 21 -1.719 -1.633 5.714 1.00 0.71 O ATOM 290 CB ILE A 21 0.643 0.741 4.541 1.00 0.68 C ATOM 291 CG1 ILE A 21 0.871 2.271 4.613 1.00 0.65 C ATOM 292 CG2 ILE A 21 0.029 0.334 3.194 1.00 0.78 C ATOM 293 CD1 ILE A 21 2.131 2.742 3.877 1.00 0.98 C ATOM 0 H ILE A 21 1.469 0.743 6.863 1.00 0.64 H new ATOM 0 HA ILE A 21 -1.153 0.791 5.699 1.00 0.62 H new ATOM 0 HB ILE A 21 1.619 0.263 4.621 1.00 0.68 H new ATOM 0 HG12 ILE A 21 0.004 2.779 4.191 1.00 0.65 H new ATOM 0 HG13 ILE A 21 0.939 2.570 5.659 1.00 0.65 H new ATOM 0 HG21 ILE A 21 0.655 0.705 2.382 1.00 0.78 H new ATOM 0 HG22 ILE A 21 -0.034 -0.753 3.136 1.00 0.78 H new ATOM 0 HG23 ILE A 21 -0.970 0.760 3.106 1.00 0.78 H new ATOM 0 HD11 ILE A 21 2.224 3.824 3.971 1.00 0.98 H new ATOM 0 HD12 ILE A 21 3.008 2.263 4.313 1.00 0.98 H new ATOM 0 HD13 ILE A 21 2.058 2.475 2.823 1.00 0.98 H new ATOM 305 N GLU A 22 0.483 -2.103 5.560 1.00 0.60 N ATOM 306 CA GLU A 22 0.384 -3.565 5.429 1.00 0.65 C ATOM 307 C GLU A 22 -0.601 -4.148 6.461 1.00 0.69 C ATOM 308 O GLU A 22 -1.551 -4.844 6.097 1.00 0.69 O ATOM 309 CB GLU A 22 1.791 -4.192 5.578 1.00 0.70 C ATOM 310 CG GLU A 22 2.793 -3.694 4.518 1.00 0.68 C ATOM 311 CD GLU A 22 4.244 -4.112 4.794 1.00 0.94 C ATOM 312 OE1 GLU A 22 4.718 -3.835 5.915 1.00 2.35 O ATOM 313 OE2 GLU A 22 4.899 -4.635 3.861 1.00 1.79 O ATOM 0 H GLU A 22 1.449 -1.778 5.600 1.00 0.60 H new ATOM 0 HA GLU A 22 -0.006 -3.808 4.441 1.00 0.65 H new ATOM 0 HB2 GLU A 22 2.180 -3.965 6.571 1.00 0.70 H new ATOM 0 HB3 GLU A 22 1.708 -5.277 5.509 1.00 0.70 H new ATOM 0 HG2 GLU A 22 2.494 -4.075 3.541 1.00 0.68 H new ATOM 0 HG3 GLU A 22 2.742 -2.606 4.465 1.00 0.68 H new ATOM 320 N ARG A 23 -0.435 -3.768 7.736 1.00 0.74 N ATOM 321 CA ARG A 23 -1.258 -4.187 8.881 1.00 0.83 C ATOM 322 C ARG A 23 -2.730 -3.730 8.802 1.00 0.88 C ATOM 323 O ARG A 23 -3.591 -4.349 9.431 1.00 0.99 O ATOM 324 CB ARG A 23 -0.578 -3.649 10.157 1.00 0.83 C ATOM 325 CG ARG A 23 -0.994 -4.355 11.458 1.00 1.08 C ATOM 326 CD ARG A 23 -0.252 -3.754 12.665 1.00 2.24 C ATOM 327 NE ARG A 23 -0.284 -4.668 13.825 1.00 2.54 N ATOM 328 CZ ARG A 23 -0.254 -4.358 15.121 1.00 3.43 C ATOM 329 NH1 ARG A 23 -0.280 -3.113 15.548 1.00 4.64 N ATOM 330 NH2 ARG A 23 -0.197 -5.321 16.020 1.00 3.65 N ATOM 0 H ARG A 23 0.312 -3.130 8.010 1.00 0.74 H new ATOM 0 HA ARG A 23 -1.312 -5.276 8.884 1.00 0.83 H new ATOM 0 HB2 ARG A 23 0.502 -3.739 10.041 1.00 0.83 H new ATOM 0 HB3 ARG A 23 -0.801 -2.586 10.250 1.00 0.83 H new ATOM 0 HG2 ARG A 23 -2.070 -4.259 11.602 1.00 1.08 H new ATOM 0 HG3 ARG A 23 -0.776 -5.421 11.385 1.00 1.08 H new ATOM 0 HD2 ARG A 23 0.783 -3.546 12.392 1.00 2.24 H new ATOM 0 HD3 ARG A 23 -0.707 -2.802 12.937 1.00 2.24 H new ATOM 0 HE ARG A 23 -0.336 -5.663 13.606 1.00 2.54 H new ATOM 0 HH11 ARG A 23 -0.325 -2.345 14.878 1.00 4.64 H new ATOM 0 HH12 ARG A 23 -0.256 -2.916 16.549 1.00 4.64 H new ATOM 0 HH21 ARG A 23 -0.176 -6.296 15.722 1.00 3.65 H new ATOM 0 HH22 ARG A 23 -0.174 -5.091 17.013 1.00 3.65 H new ATOM 344 N ALA A 24 -3.032 -2.649 8.070 1.00 0.84 N ATOM 345 CA ALA A 24 -4.387 -2.133 7.849 1.00 0.89 C ATOM 346 C ALA A 24 -5.041 -2.726 6.590 1.00 0.76 C ATOM 347 O ALA A 24 -6.191 -3.156 6.658 1.00 0.85 O ATOM 348 CB ALA A 24 -4.333 -0.602 7.782 1.00 0.98 C ATOM 0 H ALA A 24 -2.317 -2.093 7.601 1.00 0.84 H new ATOM 0 HA ALA A 24 -5.015 -2.440 8.686 1.00 0.89 H new ATOM 0 HB1 ALA A 24 -5.336 -0.209 7.618 1.00 0.98 H new ATOM 0 HB2 ALA A 24 -3.939 -0.210 8.720 1.00 0.98 H new ATOM 0 HB3 ALA A 24 -3.685 -0.296 6.961 1.00 0.98 H new ATOM 354 N ILE A 25 -4.312 -2.844 5.475 1.00 0.60 N ATOM 355 CA ILE A 25 -4.821 -3.482 4.248 1.00 0.55 C ATOM 356 C ILE A 25 -5.233 -4.929 4.529 1.00 0.54 C ATOM 357 O ILE A 25 -6.237 -5.388 3.995 1.00 0.56 O ATOM 358 CB ILE A 25 -3.774 -3.412 3.119 1.00 0.58 C ATOM 359 CG1 ILE A 25 -3.471 -1.956 2.707 1.00 0.64 C ATOM 360 CG2 ILE A 25 -4.309 -4.183 1.904 1.00 0.71 C ATOM 361 CD1 ILE A 25 -2.262 -1.825 1.772 1.00 1.15 C ATOM 0 H ILE A 25 -3.354 -2.502 5.394 1.00 0.60 H new ATOM 0 HA ILE A 25 -5.704 -2.936 3.916 1.00 0.55 H new ATOM 0 HB ILE A 25 -2.846 -3.854 3.483 1.00 0.58 H new ATOM 0 HG12 ILE A 25 -4.348 -1.536 2.215 1.00 0.64 H new ATOM 0 HG13 ILE A 25 -3.293 -1.362 3.604 1.00 0.64 H new ATOM 0 HG21 ILE A 25 -3.578 -4.142 1.096 1.00 0.71 H new ATOM 0 HG22 ILE A 25 -4.485 -5.222 2.181 1.00 0.71 H new ATOM 0 HG23 ILE A 25 -5.244 -3.733 1.570 1.00 0.71 H new ATOM 0 HD11 ILE A 25 -2.107 -0.775 1.523 1.00 1.15 H new ATOM 0 HD12 ILE A 25 -1.374 -2.215 2.269 1.00 1.15 H new ATOM 0 HD13 ILE A 25 -2.445 -2.391 0.859 1.00 1.15 H new ATOM 373 N ALA A 26 -4.531 -5.586 5.454 1.00 0.53 N ATOM 374 CA ALA A 26 -4.873 -6.888 6.033 1.00 0.54 C ATOM 375 C ALA A 26 -6.321 -7.021 6.563 1.00 0.55 C ATOM 376 O ALA A 26 -6.702 -8.096 7.022 1.00 0.63 O ATOM 377 CB ALA A 26 -3.843 -7.186 7.132 1.00 0.58 C ATOM 0 H ALA A 26 -3.666 -5.207 5.839 1.00 0.53 H new ATOM 0 HA ALA A 26 -4.835 -7.625 5.230 1.00 0.54 H new ATOM 0 HB1 ALA A 26 -4.066 -8.151 7.588 1.00 0.58 H new ATOM 0 HB2 ALA A 26 -2.844 -7.212 6.697 1.00 0.58 H new ATOM 0 HB3 ALA A 26 -3.887 -6.407 7.893 1.00 0.58 H new ATOM 383 N LYS A 27 -7.117 -5.947 6.628 1.00 0.59 N ATOM 384 CA LYS A 27 -8.552 -5.960 6.914 1.00 0.67 C ATOM 385 C LYS A 27 -9.439 -5.900 5.649 1.00 0.67 C ATOM 386 O LYS A 27 -10.613 -6.245 5.740 1.00 0.77 O ATOM 387 CB LYS A 27 -8.874 -4.777 7.836 1.00 0.76 C ATOM 388 CG LYS A 27 -8.444 -4.986 9.294 1.00 0.98 C ATOM 389 CD LYS A 27 -6.938 -5.092 9.604 1.00 1.68 C ATOM 390 CE LYS A 27 -6.539 -6.340 10.411 1.00 3.14 C ATOM 391 NZ LYS A 27 -6.869 -7.614 9.722 1.00 5.18 N ATOM 0 H LYS A 27 -6.760 -5.004 6.475 1.00 0.59 H new ATOM 0 HA LYS A 27 -8.781 -6.912 7.394 1.00 0.67 H new ATOM 0 HB2 LYS A 27 -8.384 -3.884 7.448 1.00 0.76 H new ATOM 0 HB3 LYS A 27 -9.947 -4.590 7.808 1.00 0.76 H new ATOM 0 HG2 LYS A 27 -8.847 -4.161 9.881 1.00 0.98 H new ATOM 0 HG3 LYS A 27 -8.922 -5.897 9.654 1.00 0.98 H new ATOM 0 HD2 LYS A 27 -6.386 -5.090 8.664 1.00 1.68 H new ATOM 0 HD3 LYS A 27 -6.630 -4.204 10.156 1.00 1.68 H new ATOM 0 HE2 LYS A 27 -5.468 -6.309 10.609 1.00 3.14 H new ATOM 0 HE3 LYS A 27 -7.043 -6.316 11.377 1.00 3.14 H new ATOM 0 HZ1 LYS A 27 -7.524 -8.167 10.310 1.00 5.18 H new ATOM 0 HZ2 LYS A 27 -7.316 -7.408 8.806 1.00 5.18 H new ATOM 0 HZ3 LYS A 27 -5.998 -8.160 9.567 1.00 5.18 H new ATOM 405 N VAL A 28 -8.925 -5.467 4.498 1.00 0.64 N ATOM 406 CA VAL A 28 -9.675 -5.389 3.230 1.00 0.71 C ATOM 407 C VAL A 28 -9.902 -6.812 2.716 1.00 0.73 C ATOM 408 O VAL A 28 -8.924 -7.549 2.599 1.00 0.64 O ATOM 409 CB VAL A 28 -8.925 -4.549 2.163 1.00 0.74 C ATOM 410 CG1 VAL A 28 -9.738 -4.427 0.863 1.00 1.13 C ATOM 411 CG2 VAL A 28 -8.629 -3.130 2.681 1.00 1.00 C ATOM 0 H VAL A 28 -7.958 -5.153 4.412 1.00 0.64 H new ATOM 0 HA VAL A 28 -10.627 -4.891 3.415 1.00 0.71 H new ATOM 0 HB VAL A 28 -7.991 -5.073 1.959 1.00 0.74 H new ATOM 0 HG11 VAL A 28 -9.180 -3.832 0.140 1.00 1.13 H new ATOM 0 HG12 VAL A 28 -9.919 -5.420 0.453 1.00 1.13 H new ATOM 0 HG13 VAL A 28 -10.691 -3.942 1.074 1.00 1.13 H new ATOM 0 HG21 VAL A 28 -8.103 -2.564 1.912 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.566 -2.628 2.923 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.008 -3.191 3.575 1.00 1.00 H new ATOM 421 N PRO A 29 -11.141 -7.232 2.392 1.00 0.96 N ATOM 422 CA PRO A 29 -11.442 -8.637 2.130 1.00 1.17 C ATOM 423 C PRO A 29 -10.720 -9.213 0.903 1.00 1.23 C ATOM 424 O PRO A 29 -10.606 -10.428 0.786 1.00 2.40 O ATOM 425 CB PRO A 29 -12.968 -8.720 1.997 1.00 1.47 C ATOM 426 CG PRO A 29 -13.380 -7.298 1.619 1.00 1.47 C ATOM 427 CD PRO A 29 -12.364 -6.445 2.373 1.00 1.16 C ATOM 0 HA PRO A 29 -11.073 -9.255 2.949 1.00 1.17 H new ATOM 0 HB2 PRO A 29 -13.264 -9.439 1.233 1.00 1.47 H new ATOM 0 HB3 PRO A 29 -13.434 -9.037 2.930 1.00 1.47 H new ATOM 0 HG2 PRO A 29 -13.328 -7.134 0.543 1.00 1.47 H new ATOM 0 HG3 PRO A 29 -14.402 -7.077 1.926 1.00 1.47 H new ATOM 0 HD2 PRO A 29 -12.208 -5.488 1.876 1.00 1.16 H new ATOM 0 HD3 PRO A 29 -12.707 -6.227 3.384 1.00 1.16 H new ATOM 435 N GLY A 30 -10.193 -8.362 0.013 1.00 0.79 N ATOM 436 CA GLY A 30 -9.433 -8.761 -1.175 1.00 0.88 C ATOM 437 C GLY A 30 -7.918 -8.861 -0.996 1.00 0.69 C ATOM 438 O GLY A 30 -7.243 -9.132 -1.984 1.00 0.77 O ATOM 0 H GLY A 30 -10.287 -7.350 0.103 1.00 0.79 H new ATOM 0 HA2 GLY A 30 -9.804 -9.729 -1.512 1.00 0.88 H new ATOM 0 HA3 GLY A 30 -9.639 -8.046 -1.971 1.00 0.88 H new ATOM 442 N VAL A 31 -7.389 -8.636 0.212 1.00 0.56 N ATOM 443 CA VAL A 31 -5.954 -8.737 0.548 1.00 0.52 C ATOM 444 C VAL A 31 -5.485 -10.197 0.458 1.00 0.57 C ATOM 445 O VAL A 31 -5.524 -10.959 1.420 1.00 1.01 O ATOM 446 CB VAL A 31 -5.644 -8.084 1.916 1.00 0.53 C ATOM 447 CG1 VAL A 31 -6.256 -8.786 3.147 1.00 0.90 C ATOM 448 CG2 VAL A 31 -4.124 -7.956 2.100 1.00 0.75 C ATOM 0 H VAL A 31 -7.962 -8.370 1.013 1.00 0.56 H new ATOM 0 HA VAL A 31 -5.382 -8.172 -0.187 1.00 0.52 H new ATOM 0 HB VAL A 31 -6.127 -7.108 1.875 1.00 0.53 H new ATOM 0 HG11 VAL A 31 -5.976 -8.245 4.051 1.00 0.90 H new ATOM 0 HG12 VAL A 31 -7.342 -8.801 3.055 1.00 0.90 H new ATOM 0 HG13 VAL A 31 -5.883 -9.809 3.206 1.00 0.90 H new ATOM 0 HG21 VAL A 31 -3.912 -7.496 3.065 1.00 0.75 H new ATOM 0 HG22 VAL A 31 -3.668 -8.945 2.062 1.00 0.75 H new ATOM 0 HG23 VAL A 31 -3.712 -7.336 1.304 1.00 0.75 H new ATOM 458 N GLN A 32 -5.028 -10.588 -0.731 1.00 0.55 N ATOM 459 CA GLN A 32 -4.388 -11.896 -0.935 1.00 0.61 C ATOM 460 C GLN A 32 -2.879 -11.837 -0.683 1.00 0.64 C ATOM 461 O GLN A 32 -2.253 -12.886 -0.550 1.00 0.83 O ATOM 462 CB GLN A 32 -4.724 -12.473 -2.320 1.00 0.84 C ATOM 463 CG GLN A 32 -4.091 -11.706 -3.491 1.00 0.84 C ATOM 464 CD GLN A 32 -2.827 -12.312 -4.124 1.00 1.22 C ATOM 465 OE1 GLN A 32 -2.632 -12.209 -5.325 1.00 1.77 O ATOM 466 NE2 GLN A 32 -1.918 -12.934 -3.402 1.00 1.36 N ATOM 0 H GLN A 32 -5.088 -10.017 -1.574 1.00 0.55 H new ATOM 0 HA GLN A 32 -4.799 -12.582 -0.194 1.00 0.61 H new ATOM 0 HB2 GLN A 32 -4.393 -13.511 -2.359 1.00 0.84 H new ATOM 0 HB3 GLN A 32 -5.807 -12.478 -2.446 1.00 0.84 H new ATOM 0 HG2 GLN A 32 -4.843 -11.601 -4.273 1.00 0.84 H new ATOM 0 HG3 GLN A 32 -3.848 -10.701 -3.145 1.00 0.84 H new ATOM 0 HE21 GLN A 32 -2.049 -13.038 -2.396 1.00 1.36 H new ATOM 0 HE22 GLN A 32 -1.083 -13.312 -3.849 1.00 1.36 H new ATOM 475 N SER A 33 -2.284 -10.640 -0.635 1.00 0.60 N ATOM 476 CA SER A 33 -0.913 -10.375 -0.177 1.00 0.75 C ATOM 477 C SER A 33 -0.616 -8.872 -0.168 1.00 0.66 C ATOM 478 O SER A 33 -1.067 -8.156 -1.062 1.00 0.84 O ATOM 479 CB SER A 33 0.153 -11.095 -1.022 1.00 1.22 C ATOM 480 OG SER A 33 0.315 -12.432 -0.593 1.00 1.80 O ATOM 0 H SER A 33 -2.766 -9.790 -0.927 1.00 0.60 H new ATOM 0 HA SER A 33 -0.858 -10.770 0.837 1.00 0.75 H new ATOM 0 HB2 SER A 33 -0.137 -11.078 -2.073 1.00 1.22 H new ATOM 0 HB3 SER A 33 1.103 -10.566 -0.945 1.00 1.22 H new ATOM 0 HG SER A 33 -0.565 -12.842 -0.462 1.00 1.80 H new ATOM 486 N CYS A 34 0.179 -8.447 0.821 1.00 0.61 N ATOM 487 CA CYS A 34 0.831 -7.140 0.944 1.00 0.49 C ATOM 488 C CYS A 34 2.357 -7.326 0.896 1.00 0.63 C ATOM 489 O CYS A 34 2.828 -8.448 1.090 1.00 1.22 O ATOM 490 CB CYS A 34 0.482 -6.531 2.318 1.00 0.61 C ATOM 491 SG CYS A 34 -1.268 -6.104 2.466 1.00 0.99 S ATOM 0 H CYS A 34 0.399 -9.052 1.613 1.00 0.61 H new ATOM 0 HA CYS A 34 0.495 -6.494 0.133 1.00 0.49 H new ATOM 0 HB2 CYS A 34 0.747 -7.239 3.103 1.00 0.61 H new ATOM 0 HB3 CYS A 34 1.085 -5.637 2.479 1.00 0.61 H new ATOM 0 HG CYS A 34 -1.494 -5.600 3.643 1.00 0.99 H new ATOM 497 N GLN A 35 3.097 -6.223 0.757 1.00 0.48 N ATOM 498 CA GLN A 35 4.526 -6.026 1.026 1.00 0.54 C ATOM 499 C GLN A 35 4.926 -4.614 0.568 1.00 0.56 C ATOM 500 O GLN A 35 4.467 -4.165 -0.483 1.00 0.79 O ATOM 501 CB GLN A 35 5.410 -7.117 0.384 1.00 0.60 C ATOM 502 CG GLN A 35 5.857 -8.170 1.415 1.00 1.20 C ATOM 503 CD GLN A 35 6.046 -9.555 0.800 1.00 1.73 C ATOM 504 OE1 GLN A 35 7.147 -10.050 0.629 1.00 2.75 O ATOM 505 NE2 GLN A 35 4.970 -10.220 0.437 1.00 1.78 N ATOM 0 H GLN A 35 2.669 -5.360 0.420 1.00 0.48 H new ATOM 0 HA GLN A 35 4.695 -6.119 2.099 1.00 0.54 H new ATOM 0 HB2 GLN A 35 4.859 -7.606 -0.419 1.00 0.60 H new ATOM 0 HB3 GLN A 35 6.288 -6.655 -0.067 1.00 0.60 H new ATOM 0 HG2 GLN A 35 6.793 -7.850 1.873 1.00 1.20 H new ATOM 0 HG3 GLN A 35 5.116 -8.229 2.212 1.00 1.20 H new ATOM 0 HE21 GLN A 35 4.046 -9.811 0.578 1.00 1.78 H new ATOM 0 HE22 GLN A 35 5.060 -11.144 0.015 1.00 1.78 H new ATOM 514 N VAL A 36 5.789 -3.939 1.332 1.00 0.47 N ATOM 515 CA VAL A 36 6.509 -2.704 0.967 1.00 0.46 C ATOM 516 C VAL A 36 7.965 -2.798 1.435 1.00 0.43 C ATOM 517 O VAL A 36 8.247 -3.212 2.560 1.00 0.60 O ATOM 518 CB VAL A 36 5.812 -1.396 1.462 1.00 0.74 C ATOM 519 CG1 VAL A 36 5.051 -1.546 2.786 1.00 1.42 C ATOM 520 CG2 VAL A 36 6.762 -0.188 1.631 1.00 1.50 C ATOM 0 H VAL A 36 6.021 -4.252 2.275 1.00 0.47 H new ATOM 0 HA VAL A 36 6.489 -2.627 -0.120 1.00 0.46 H new ATOM 0 HB VAL A 36 5.112 -1.206 0.649 1.00 0.74 H new ATOM 0 HG11 VAL A 36 4.598 -0.592 3.056 1.00 1.42 H new ATOM 0 HG12 VAL A 36 4.271 -2.299 2.674 1.00 1.42 H new ATOM 0 HG13 VAL A 36 5.743 -1.854 3.570 1.00 1.42 H new ATOM 0 HG21 VAL A 36 6.194 0.676 1.977 1.00 1.50 H new ATOM 0 HG22 VAL A 36 7.534 -0.431 2.361 1.00 1.50 H new ATOM 0 HG23 VAL A 36 7.229 0.045 0.674 1.00 1.50 H new ATOM 530 N ASN A 37 8.890 -2.389 0.561 1.00 0.43 N ATOM 531 CA ASN A 37 10.310 -2.264 0.871 1.00 0.42 C ATOM 532 C ASN A 37 10.640 -0.809 1.233 1.00 0.48 C ATOM 533 O ASN A 37 10.883 0.035 0.363 1.00 0.53 O ATOM 534 CB ASN A 37 11.168 -2.760 -0.300 1.00 0.55 C ATOM 535 CG ASN A 37 12.621 -2.844 0.132 1.00 0.83 C ATOM 536 OD1 ASN A 37 13.372 -1.886 0.025 1.00 0.95 O ATOM 537 ND2 ASN A 37 13.033 -3.964 0.698 1.00 1.59 N ATOM 0 H ASN A 37 8.664 -2.131 -0.400 1.00 0.43 H new ATOM 0 HA ASN A 37 10.542 -2.891 1.732 1.00 0.42 H new ATOM 0 HB2 ASN A 37 10.819 -3.738 -0.630 1.00 0.55 H new ATOM 0 HB3 ASN A 37 11.069 -2.083 -1.149 1.00 0.55 H new ATOM 0 HD21 ASN A 37 13.987 -4.036 1.051 1.00 1.59 H new ATOM 0 HD22 ASN A 37 12.397 -4.757 0.782 1.00 1.59 H new ATOM 544 N PHE A 38 10.686 -0.521 2.537 1.00 0.59 N ATOM 545 CA PHE A 38 10.939 0.809 3.098 1.00 0.74 C ATOM 546 C PHE A 38 12.436 1.183 3.031 1.00 0.78 C ATOM 547 O PHE A 38 13.094 1.394 4.045 1.00 0.91 O ATOM 548 CB PHE A 38 10.331 0.857 4.511 1.00 0.92 C ATOM 549 CG PHE A 38 10.174 2.250 5.090 1.00 1.11 C ATOM 550 CD1 PHE A 38 9.151 3.096 4.619 1.00 2.26 C ATOM 551 CD2 PHE A 38 11.020 2.690 6.126 1.00 2.02 C ATOM 552 CE1 PHE A 38 8.960 4.364 5.199 1.00 2.69 C ATOM 553 CE2 PHE A 38 10.833 3.960 6.699 1.00 2.75 C ATOM 554 CZ PHE A 38 9.798 4.792 6.243 1.00 2.60 C ATOM 0 H PHE A 38 10.543 -1.231 3.255 1.00 0.59 H new ATOM 0 HA PHE A 38 10.451 1.579 2.501 1.00 0.74 H new ATOM 0 HB2 PHE A 38 9.353 0.377 4.487 1.00 0.92 H new ATOM 0 HB3 PHE A 38 10.958 0.269 5.181 1.00 0.92 H new ATOM 0 HD1 PHE A 38 8.512 2.771 3.811 1.00 2.26 H new ATOM 0 HD2 PHE A 38 11.814 2.050 6.481 1.00 2.02 H new ATOM 0 HE1 PHE A 38 8.170 5.008 4.842 1.00 2.69 H new ATOM 0 HE2 PHE A 38 11.486 4.296 7.491 1.00 2.75 H new ATOM 0 HZ PHE A 38 9.646 5.761 6.695 1.00 2.60 H new ATOM 564 N ALA A 39 12.981 1.214 1.810 1.00 0.86 N ATOM 565 CA ALA A 39 14.363 1.578 1.481 1.00 0.92 C ATOM 566 C ALA A 39 14.502 1.853 -0.024 1.00 0.89 C ATOM 567 O ALA A 39 14.963 2.920 -0.413 1.00 1.22 O ATOM 568 CB ALA A 39 15.318 0.466 1.951 1.00 0.97 C ATOM 0 H ALA A 39 12.440 0.973 0.980 1.00 0.86 H new ATOM 0 HA ALA A 39 14.632 2.496 2.003 1.00 0.92 H new ATOM 0 HB1 ALA A 39 16.344 0.740 1.705 1.00 0.97 H new ATOM 0 HB2 ALA A 39 15.225 0.338 3.030 1.00 0.97 H new ATOM 0 HB3 ALA A 39 15.062 -0.469 1.452 1.00 0.97 H new ATOM 574 N LEU A 40 14.031 0.936 -0.878 1.00 0.63 N ATOM 575 CA LEU A 40 14.045 1.029 -2.331 1.00 0.63 C ATOM 576 C LEU A 40 12.613 1.327 -2.861 1.00 0.52 C ATOM 577 O LEU A 40 12.215 0.932 -3.955 1.00 0.56 O ATOM 578 CB LEU A 40 14.771 -0.272 -2.754 1.00 0.75 C ATOM 579 CG LEU A 40 14.593 -0.765 -4.181 1.00 0.81 C ATOM 580 CD1 LEU A 40 15.039 0.255 -5.240 1.00 0.85 C ATOM 581 CD2 LEU A 40 15.346 -2.087 -4.389 1.00 1.03 C ATOM 0 H LEU A 40 13.609 0.067 -0.550 1.00 0.63 H new ATOM 0 HA LEU A 40 14.585 1.863 -2.780 1.00 0.63 H new ATOM 0 HB2 LEU A 40 15.838 -0.128 -2.583 1.00 0.75 H new ATOM 0 HB3 LEU A 40 14.445 -1.068 -2.084 1.00 0.75 H new ATOM 0 HG LEU A 40 13.522 -0.917 -4.317 1.00 0.81 H new ATOM 0 HD11 LEU A 40 14.884 -0.162 -6.235 1.00 0.85 H new ATOM 0 HD12 LEU A 40 14.454 1.168 -5.135 1.00 0.85 H new ATOM 0 HD13 LEU A 40 16.096 0.483 -5.103 1.00 0.85 H new ATOM 0 HD21 LEU A 40 15.208 -2.426 -5.416 1.00 1.03 H new ATOM 0 HD22 LEU A 40 16.408 -1.935 -4.196 1.00 1.03 H new ATOM 0 HD23 LEU A 40 14.957 -2.839 -3.703 1.00 1.03 H new ATOM 593 N GLU A 41 11.808 2.008 -2.040 1.00 0.60 N ATOM 594 CA GLU A 41 10.494 2.608 -2.339 1.00 0.56 C ATOM 595 C GLU A 41 9.353 1.657 -2.745 1.00 0.37 C ATOM 596 O GLU A 41 8.211 2.104 -2.770 1.00 0.33 O ATOM 597 CB GLU A 41 10.603 3.681 -3.437 1.00 0.78 C ATOM 598 CG GLU A 41 11.385 4.943 -3.058 1.00 1.06 C ATOM 599 CD GLU A 41 11.088 6.075 -4.052 1.00 1.36 C ATOM 600 OE1 GLU A 41 10.776 5.751 -5.222 1.00 2.67 O ATOM 601 OE2 GLU A 41 11.143 7.252 -3.648 1.00 1.70 O ATOM 0 H GLU A 41 12.076 2.170 -1.069 1.00 0.60 H new ATOM 0 HA GLU A 41 10.217 3.018 -1.368 1.00 0.56 H new ATOM 0 HB2 GLU A 41 11.074 3.233 -4.312 1.00 0.78 H new ATOM 0 HB3 GLU A 41 9.596 3.975 -3.733 1.00 0.78 H new ATOM 0 HG2 GLU A 41 11.116 5.256 -2.049 1.00 1.06 H new ATOM 0 HG3 GLU A 41 12.454 4.728 -3.051 1.00 1.06 H new ATOM 608 N GLN A 42 9.586 0.403 -3.145 1.00 0.39 N ATOM 609 CA GLN A 42 8.503 -0.378 -3.754 1.00 0.39 C ATOM 610 C GLN A 42 7.420 -0.810 -2.767 1.00 0.38 C ATOM 611 O GLN A 42 7.657 -0.983 -1.578 1.00 0.39 O ATOM 612 CB GLN A 42 8.991 -1.592 -4.553 1.00 0.46 C ATOM 613 CG GLN A 42 9.428 -2.752 -3.620 1.00 0.62 C ATOM 614 CD GLN A 42 10.761 -3.411 -3.944 1.00 0.59 C ATOM 615 OE1 GLN A 42 10.977 -4.581 -3.689 1.00 1.01 O ATOM 616 NE2 GLN A 42 11.749 -2.698 -4.443 1.00 0.95 N ATOM 0 H GLN A 42 10.481 -0.080 -3.063 1.00 0.39 H new ATOM 0 HA GLN A 42 8.053 0.326 -4.454 1.00 0.39 H new ATOM 0 HB2 GLN A 42 8.196 -1.936 -5.215 1.00 0.46 H new ATOM 0 HB3 GLN A 42 9.828 -1.299 -5.186 1.00 0.46 H new ATOM 0 HG2 GLN A 42 9.473 -2.372 -2.599 1.00 0.62 H new ATOM 0 HG3 GLN A 42 8.653 -3.518 -3.641 1.00 0.62 H new ATOM 0 HE21 GLN A 42 11.604 -1.714 -4.669 1.00 0.95 H new ATOM 0 HE22 GLN A 42 12.659 -3.130 -4.604 1.00 0.95 H new ATOM 625 N ALA A 43 6.267 -1.135 -3.333 1.00 0.54 N ATOM 626 CA ALA A 43 5.237 -1.960 -2.730 1.00 0.52 C ATOM 627 C ALA A 43 4.728 -2.998 -3.735 1.00 0.60 C ATOM 628 O ALA A 43 4.902 -2.851 -4.946 1.00 1.01 O ATOM 629 CB ALA A 43 4.132 -1.051 -2.176 1.00 0.55 C ATOM 0 H ALA A 43 6.015 -0.815 -4.268 1.00 0.54 H new ATOM 0 HA ALA A 43 5.641 -2.530 -1.893 1.00 0.52 H new ATOM 0 HB1 ALA A 43 3.353 -1.662 -1.720 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.553 -0.382 -1.426 1.00 0.55 H new ATOM 0 HB3 ALA A 43 3.704 -0.463 -2.988 1.00 0.55 H new ATOM 635 N VAL A 44 4.095 -4.039 -3.208 1.00 0.36 N ATOM 636 CA VAL A 44 3.306 -5.016 -3.952 1.00 0.38 C ATOM 637 C VAL A 44 2.064 -5.380 -3.140 1.00 0.39 C ATOM 638 O VAL A 44 2.181 -5.849 -2.009 1.00 0.46 O ATOM 639 CB VAL A 44 4.145 -6.251 -4.362 1.00 0.49 C ATOM 640 CG1 VAL A 44 4.769 -7.037 -3.197 1.00 0.60 C ATOM 641 CG2 VAL A 44 3.344 -7.207 -5.256 1.00 0.54 C ATOM 0 H VAL A 44 4.118 -4.235 -2.207 1.00 0.36 H new ATOM 0 HA VAL A 44 2.980 -4.572 -4.892 1.00 0.38 H new ATOM 0 HB VAL A 44 4.979 -5.825 -4.919 1.00 0.49 H new ATOM 0 HG11 VAL A 44 5.335 -7.881 -3.590 1.00 0.60 H new ATOM 0 HG12 VAL A 44 5.435 -6.384 -2.633 1.00 0.60 H new ATOM 0 HG13 VAL A 44 3.979 -7.404 -2.541 1.00 0.60 H new ATOM 0 HG21 VAL A 44 3.965 -8.062 -5.523 1.00 0.54 H new ATOM 0 HG22 VAL A 44 2.461 -7.554 -4.719 1.00 0.54 H new ATOM 0 HG23 VAL A 44 3.035 -6.685 -6.162 1.00 0.54 H new ATOM 651 N VAL A 45 0.869 -5.149 -3.696 1.00 0.49 N ATOM 652 CA VAL A 45 -0.388 -5.538 -3.032 1.00 0.51 C ATOM 653 C VAL A 45 -1.460 -5.953 -4.034 1.00 0.55 C ATOM 654 O VAL A 45 -1.818 -5.192 -4.932 1.00 0.64 O ATOM 655 CB VAL A 45 -0.993 -4.438 -2.126 1.00 0.57 C ATOM 656 CG1 VAL A 45 -2.032 -5.023 -1.170 1.00 0.79 C ATOM 657 CG2 VAL A 45 0.026 -3.648 -1.280 1.00 0.94 C ATOM 0 H VAL A 45 0.742 -4.696 -4.601 1.00 0.49 H new ATOM 0 HA VAL A 45 -0.099 -6.381 -2.405 1.00 0.51 H new ATOM 0 HB VAL A 45 -1.440 -3.740 -2.834 1.00 0.57 H new ATOM 0 HG11 VAL A 45 -2.440 -4.228 -0.546 1.00 0.79 H new ATOM 0 HG12 VAL A 45 -2.836 -5.483 -1.744 1.00 0.79 H new ATOM 0 HG13 VAL A 45 -1.561 -5.776 -0.537 1.00 0.79 H new ATOM 0 HG21 VAL A 45 -0.498 -2.903 -0.682 1.00 0.94 H new ATOM 0 HG22 VAL A 45 0.560 -4.332 -0.621 1.00 0.94 H new ATOM 0 HG23 VAL A 45 0.737 -3.150 -1.939 1.00 0.94 H new ATOM 667 N SER A 46 -2.038 -7.136 -3.819 1.00 0.57 N ATOM 668 CA SER A 46 -3.356 -7.476 -4.373 1.00 0.67 C ATOM 669 C SER A 46 -4.384 -7.430 -3.245 1.00 0.63 C ATOM 670 O SER A 46 -4.530 -8.391 -2.495 1.00 0.69 O ATOM 671 CB SER A 46 -3.360 -8.828 -5.099 1.00 0.93 C ATOM 672 OG SER A 46 -4.687 -9.304 -5.315 1.00 1.68 O ATOM 0 H SER A 46 -1.615 -7.879 -3.263 1.00 0.57 H new ATOM 0 HA SER A 46 -3.618 -6.742 -5.135 1.00 0.67 H new ATOM 0 HB2 SER A 46 -2.848 -8.729 -6.056 1.00 0.93 H new ATOM 0 HB3 SER A 46 -2.802 -9.558 -4.513 1.00 0.93 H new ATOM 0 HG SER A 46 -5.227 -8.594 -5.720 1.00 1.68 H new ATOM 678 N TYR A 47 -5.080 -6.298 -3.161 1.00 1.01 N ATOM 679 CA TYR A 47 -6.118 -5.943 -2.170 1.00 1.03 C ATOM 680 C TYR A 47 -7.561 -5.897 -2.719 1.00 1.09 C ATOM 681 O TYR A 47 -8.502 -5.576 -1.992 1.00 1.65 O ATOM 682 CB TYR A 47 -5.756 -4.613 -1.451 1.00 1.19 C ATOM 683 CG TYR A 47 -5.020 -3.494 -2.194 1.00 1.10 C ATOM 684 CD1 TYR A 47 -4.957 -3.433 -3.599 1.00 1.49 C ATOM 685 CD2 TYR A 47 -4.303 -2.538 -1.447 1.00 1.90 C ATOM 686 CE1 TYR A 47 -4.017 -2.598 -4.233 1.00 1.56 C ATOM 687 CE2 TYR A 47 -3.396 -1.658 -2.074 1.00 1.94 C ATOM 688 CZ TYR A 47 -3.206 -1.736 -3.471 1.00 1.30 C ATOM 689 OH TYR A 47 -2.273 -0.971 -4.098 1.00 1.64 O ATOM 0 H TYR A 47 -4.929 -5.542 -3.829 1.00 1.01 H new ATOM 0 HA TYR A 47 -6.119 -6.764 -1.453 1.00 1.03 H new ATOM 0 HB2 TYR A 47 -6.687 -4.189 -1.075 1.00 1.19 H new ATOM 0 HB3 TYR A 47 -5.150 -4.873 -0.583 1.00 1.19 H new ATOM 0 HD1 TYR A 47 -5.633 -4.030 -4.194 1.00 1.49 H new ATOM 0 HD2 TYR A 47 -4.450 -2.478 -0.379 1.00 1.90 H new ATOM 0 HE1 TYR A 47 -3.918 -2.619 -5.308 1.00 1.56 H new ATOM 0 HE2 TYR A 47 -2.851 -0.931 -1.490 1.00 1.94 H new ATOM 0 HH TYR A 47 -2.424 -0.027 -3.881 1.00 1.64 H new ATOM 699 N HIS A 48 -7.763 -6.229 -3.994 1.00 1.09 N ATOM 700 CA HIS A 48 -9.048 -6.085 -4.693 1.00 1.16 C ATOM 701 C HIS A 48 -9.916 -7.354 -4.557 1.00 1.40 C ATOM 702 O HIS A 48 -9.526 -8.428 -5.023 1.00 1.56 O ATOM 703 CB HIS A 48 -8.796 -5.743 -6.170 1.00 1.17 C ATOM 704 CG HIS A 48 -7.672 -4.772 -6.403 1.00 1.18 C ATOM 705 ND1 HIS A 48 -7.755 -3.378 -6.388 1.00 1.17 N ATOM 706 CD2 HIS A 48 -6.374 -5.139 -6.590 1.00 1.39 C ATOM 707 CE1 HIS A 48 -6.509 -2.932 -6.610 1.00 1.38 C ATOM 708 NE2 HIS A 48 -5.665 -3.973 -6.774 1.00 1.56 N ATOM 0 H HIS A 48 -7.026 -6.614 -4.585 1.00 1.09 H new ATOM 0 HA HIS A 48 -9.604 -5.270 -4.229 1.00 1.16 H new ATOM 0 HB2 HIS A 48 -8.581 -6.664 -6.711 1.00 1.17 H new ATOM 0 HB3 HIS A 48 -9.710 -5.329 -6.595 1.00 1.17 H new ATOM 0 HD2 HIS A 48 -5.979 -6.144 -6.593 1.00 1.39 H new ATOM 0 HE1 HIS A 48 -6.223 -1.891 -6.651 1.00 1.38 H new ATOM 0 HE2 HIS A 48 -4.672 -3.907 -6.996 1.00 1.56 H new ATOM 716 N GLY A 49 -11.088 -7.229 -3.917 1.00 1.85 N ATOM 717 CA GLY A 49 -11.961 -8.366 -3.564 1.00 2.51 C ATOM 718 C GLY A 49 -13.031 -8.714 -4.603 1.00 2.15 C ATOM 719 O GLY A 49 -13.570 -9.813 -4.567 1.00 3.19 O ATOM 0 H GLY A 49 -11.463 -6.327 -3.625 1.00 1.85 H new ATOM 0 HA2 GLY A 49 -11.337 -9.245 -3.400 1.00 2.51 H new ATOM 0 HA3 GLY A 49 -12.455 -8.144 -2.618 1.00 2.51 H new ATOM 723 N GLU A 50 -13.331 -7.791 -5.512 1.00 1.74 N ATOM 724 CA GLU A 50 -14.359 -7.886 -6.549 1.00 1.84 C ATOM 725 C GLU A 50 -13.922 -6.884 -7.634 1.00 2.11 C ATOM 726 O GLU A 50 -12.835 -7.042 -8.197 1.00 3.16 O ATOM 727 CB GLU A 50 -15.736 -7.622 -5.896 1.00 2.33 C ATOM 728 CG GLU A 50 -16.939 -7.712 -6.851 1.00 3.14 C ATOM 729 CD GLU A 50 -17.823 -6.471 -6.721 1.00 4.22 C ATOM 730 OE1 GLU A 50 -17.313 -5.385 -7.083 1.00 5.01 O ATOM 731 OE2 GLU A 50 -18.966 -6.611 -6.247 1.00 4.97 O ATOM 0 H GLU A 50 -12.833 -6.901 -5.548 1.00 1.74 H new ATOM 0 HA GLU A 50 -14.465 -8.864 -7.019 1.00 1.84 H new ATOM 0 HB2 GLU A 50 -15.880 -8.338 -5.087 1.00 2.33 H new ATOM 0 HB3 GLU A 50 -15.723 -6.630 -5.446 1.00 2.33 H new ATOM 0 HG2 GLU A 50 -16.588 -7.809 -7.878 1.00 3.14 H new ATOM 0 HG3 GLU A 50 -17.522 -8.605 -6.627 1.00 3.14 H new ATOM 738 N THR A 51 -14.667 -5.792 -7.835 1.00 2.11 N ATOM 739 CA THR A 51 -14.082 -4.494 -8.182 1.00 2.41 C ATOM 740 C THR A 51 -13.380 -3.917 -6.945 1.00 1.98 C ATOM 741 O THR A 51 -13.305 -4.558 -5.889 1.00 2.74 O ATOM 742 CB THR A 51 -15.155 -3.535 -8.730 1.00 3.27 C ATOM 743 OG1 THR A 51 -16.070 -3.178 -7.722 1.00 3.16 O ATOM 744 CG2 THR A 51 -15.926 -4.107 -9.922 1.00 4.87 C ATOM 0 H THR A 51 -15.684 -5.783 -7.762 1.00 2.11 H new ATOM 0 HA THR A 51 -13.345 -4.624 -8.975 1.00 2.41 H new ATOM 0 HB THR A 51 -14.614 -2.655 -9.077 1.00 3.27 H new ATOM 0 HG1 THR A 51 -16.274 -3.963 -7.172 1.00 3.16 H new ATOM 0 HG21 THR A 51 -16.666 -3.381 -10.259 1.00 4.87 H new ATOM 0 HG22 THR A 51 -15.232 -4.322 -10.735 1.00 4.87 H new ATOM 0 HG23 THR A 51 -16.430 -5.026 -9.622 1.00 4.87 H new ATOM 752 N THR A 52 -12.864 -2.688 -7.054 1.00 1.95 N ATOM 753 CA THR A 52 -12.274 -1.880 -5.969 1.00 2.00 C ATOM 754 C THR A 52 -12.043 -0.461 -6.504 1.00 1.35 C ATOM 755 O THR A 52 -11.585 -0.331 -7.638 1.00 2.06 O ATOM 756 CB THR A 52 -10.991 -2.532 -5.414 1.00 3.42 C ATOM 757 OG1 THR A 52 -11.406 -3.500 -4.483 1.00 4.52 O ATOM 758 CG2 THR A 52 -10.047 -1.603 -4.654 1.00 4.40 C ATOM 0 H THR A 52 -12.843 -2.199 -7.949 1.00 1.95 H new ATOM 0 HA THR A 52 -12.956 -1.827 -5.121 1.00 2.00 H new ATOM 0 HB THR A 52 -10.441 -2.902 -6.279 1.00 3.42 H new ATOM 0 HG1 THR A 52 -11.878 -4.221 -4.949 1.00 4.52 H new ATOM 0 HG21 THR A 52 -9.180 -2.167 -4.310 1.00 4.40 H new ATOM 0 HG22 THR A 52 -9.719 -0.799 -5.313 1.00 4.40 H new ATOM 0 HG23 THR A 52 -10.567 -1.178 -3.796 1.00 4.40 H new ATOM 766 N PRO A 53 -12.386 0.598 -5.741 1.00 1.94 N ATOM 767 CA PRO A 53 -12.198 1.992 -6.144 1.00 2.77 C ATOM 768 C PRO A 53 -10.776 2.477 -5.779 1.00 2.06 C ATOM 769 O PRO A 53 -9.828 1.698 -5.787 1.00 1.92 O ATOM 770 CB PRO A 53 -13.339 2.729 -5.421 1.00 4.37 C ATOM 771 CG PRO A 53 -13.411 1.992 -4.086 1.00 4.48 C ATOM 772 CD PRO A 53 -13.156 0.543 -4.501 1.00 3.24 C ATOM 0 HA PRO A 53 -12.252 2.167 -7.218 1.00 2.77 H new ATOM 0 HB2 PRO A 53 -13.119 3.788 -5.289 1.00 4.37 H new ATOM 0 HB3 PRO A 53 -14.277 2.665 -5.972 1.00 4.37 H new ATOM 0 HG2 PRO A 53 -12.661 2.352 -3.382 1.00 4.48 H new ATOM 0 HG3 PRO A 53 -14.382 2.113 -3.606 1.00 4.48 H new ATOM 0 HD2 PRO A 53 -12.607 0.008 -3.726 1.00 3.24 H new ATOM 0 HD3 PRO A 53 -14.095 0.011 -4.651 1.00 3.24 H new ATOM 780 N GLN A 54 -10.622 3.759 -5.431 1.00 1.93 N ATOM 781 CA GLN A 54 -9.360 4.444 -5.101 1.00 1.61 C ATOM 782 C GLN A 54 -8.579 3.848 -3.908 1.00 1.26 C ATOM 783 O GLN A 54 -7.455 4.268 -3.650 1.00 1.30 O ATOM 784 CB GLN A 54 -9.712 5.932 -4.900 1.00 2.10 C ATOM 785 CG GLN A 54 -8.513 6.897 -4.956 1.00 3.34 C ATOM 786 CD GLN A 54 -8.954 8.350 -5.152 1.00 4.10 C ATOM 787 OE1 GLN A 54 -9.778 8.667 -5.996 1.00 3.94 O ATOM 788 NE2 GLN A 54 -8.431 9.291 -4.396 1.00 5.27 N ATOM 0 H GLN A 54 -11.422 4.388 -5.367 1.00 1.93 H new ATOM 0 HA GLN A 54 -8.658 4.306 -5.923 1.00 1.61 H new ATOM 0 HB2 GLN A 54 -10.432 6.226 -5.664 1.00 2.10 H new ATOM 0 HB3 GLN A 54 -10.206 6.046 -3.935 1.00 2.10 H new ATOM 0 HG2 GLN A 54 -7.938 6.814 -4.034 1.00 3.34 H new ATOM 0 HG3 GLN A 54 -7.851 6.606 -5.772 1.00 3.34 H new ATOM 0 HE21 GLN A 54 -7.741 9.049 -3.685 1.00 5.27 H new ATOM 0 HE22 GLN A 54 -8.715 10.263 -4.521 1.00 5.27 H new ATOM 797 N ILE A 55 -9.127 2.847 -3.204 1.00 1.25 N ATOM 798 CA ILE A 55 -8.551 2.221 -1.992 1.00 1.27 C ATOM 799 C ILE A 55 -7.082 1.785 -2.157 1.00 1.32 C ATOM 800 O ILE A 55 -6.308 1.805 -1.200 1.00 1.33 O ATOM 801 CB ILE A 55 -9.479 1.078 -1.509 1.00 1.58 C ATOM 802 CG1 ILE A 55 -10.776 1.701 -0.934 1.00 1.56 C ATOM 803 CG2 ILE A 55 -8.822 0.163 -0.456 1.00 2.02 C ATOM 804 CD1 ILE A 55 -11.888 0.688 -0.627 1.00 2.36 C ATOM 0 H ILE A 55 -10.019 2.430 -3.469 1.00 1.25 H new ATOM 0 HA ILE A 55 -8.507 2.981 -1.212 1.00 1.27 H new ATOM 0 HB ILE A 55 -9.697 0.445 -2.369 1.00 1.58 H new ATOM 0 HG12 ILE A 55 -10.530 2.240 -0.019 1.00 1.56 H new ATOM 0 HG13 ILE A 55 -11.157 2.435 -1.644 1.00 1.56 H new ATOM 0 HG21 ILE A 55 -9.525 -0.616 -0.161 1.00 2.02 H new ATOM 0 HG22 ILE A 55 -7.929 -0.296 -0.880 1.00 2.02 H new ATOM 0 HG23 ILE A 55 -8.547 0.753 0.418 1.00 2.02 H new ATOM 0 HD11 ILE A 55 -12.757 1.211 -0.229 1.00 2.36 H new ATOM 0 HD12 ILE A 55 -12.167 0.165 -1.542 1.00 2.36 H new ATOM 0 HD13 ILE A 55 -11.531 -0.033 0.108 1.00 2.36 H new ATOM 816 N LEU A 56 -6.688 1.420 -3.380 1.00 1.40 N ATOM 817 CA LEU A 56 -5.326 1.006 -3.735 1.00 1.44 C ATOM 818 C LEU A 56 -4.250 2.079 -3.475 1.00 1.38 C ATOM 819 O LEU A 56 -3.091 1.726 -3.243 1.00 1.53 O ATOM 820 CB LEU A 56 -5.356 0.482 -5.183 1.00 1.59 C ATOM 821 CG LEU A 56 -5.732 1.499 -6.290 1.00 1.46 C ATOM 822 CD1 LEU A 56 -4.509 2.256 -6.833 1.00 1.72 C ATOM 823 CD2 LEU A 56 -6.409 0.768 -7.460 1.00 1.67 C ATOM 0 H LEU A 56 -7.327 1.404 -4.175 1.00 1.40 H new ATOM 0 HA LEU A 56 -5.011 0.203 -3.068 1.00 1.44 H new ATOM 0 HB2 LEU A 56 -4.372 0.075 -5.417 1.00 1.59 H new ATOM 0 HB3 LEU A 56 -6.063 -0.346 -5.229 1.00 1.59 H new ATOM 0 HG LEU A 56 -6.409 2.223 -5.837 1.00 1.46 H new ATOM 0 HD11 LEU A 56 -4.828 2.956 -7.606 1.00 1.72 H new ATOM 0 HD12 LEU A 56 -4.031 2.805 -6.022 1.00 1.72 H new ATOM 0 HD13 LEU A 56 -3.800 1.545 -7.257 1.00 1.72 H new ATOM 0 HD21 LEU A 56 -6.671 1.488 -8.236 1.00 1.67 H new ATOM 0 HD22 LEU A 56 -5.724 0.026 -7.870 1.00 1.67 H new ATOM 0 HD23 LEU A 56 -7.312 0.272 -7.105 1.00 1.67 H new ATOM 835 N THR A 57 -4.643 3.361 -3.498 1.00 1.26 N ATOM 836 CA THR A 57 -3.832 4.506 -3.012 1.00 1.24 C ATOM 837 C THR A 57 -4.280 5.032 -1.647 1.00 1.03 C ATOM 838 O THR A 57 -3.428 5.351 -0.818 1.00 0.92 O ATOM 839 CB THR A 57 -3.698 5.620 -4.064 1.00 1.71 C ATOM 840 OG1 THR A 57 -2.682 6.515 -3.670 1.00 3.18 O ATOM 841 CG2 THR A 57 -4.969 6.414 -4.357 1.00 1.52 C ATOM 0 H THR A 57 -5.553 3.645 -3.862 1.00 1.26 H new ATOM 0 HA THR A 57 -2.829 4.110 -2.853 1.00 1.24 H new ATOM 0 HB THR A 57 -3.458 5.102 -4.993 1.00 1.71 H new ATOM 0 HG1 THR A 57 -3.071 7.399 -3.505 1.00 3.18 H new ATOM 0 HG21 THR A 57 -4.759 7.171 -5.112 1.00 1.52 H new ATOM 0 HG22 THR A 57 -5.743 5.740 -4.725 1.00 1.52 H new ATOM 0 HG23 THR A 57 -5.314 6.898 -3.444 1.00 1.52 H new ATOM 849 N ASP A 58 -5.583 5.027 -1.349 1.00 1.04 N ATOM 850 CA ASP A 58 -6.127 5.464 -0.046 1.00 0.98 C ATOM 851 C ASP A 58 -5.349 4.848 1.130 1.00 0.88 C ATOM 852 O ASP A 58 -4.919 5.546 2.045 1.00 0.84 O ATOM 853 CB ASP A 58 -7.599 5.041 0.042 1.00 1.13 C ATOM 854 CG ASP A 58 -8.370 5.678 1.201 1.00 1.38 C ATOM 855 OD1 ASP A 58 -8.773 6.849 1.042 1.00 2.30 O ATOM 856 OD2 ASP A 58 -8.612 4.947 2.189 1.00 1.98 O ATOM 0 H ASP A 58 -6.300 4.719 -2.005 1.00 1.04 H new ATOM 0 HA ASP A 58 -6.031 6.548 0.021 1.00 0.98 H new ATOM 0 HB2 ASP A 58 -8.095 5.298 -0.894 1.00 1.13 H new ATOM 0 HB3 ASP A 58 -7.648 3.957 0.141 1.00 1.13 H new ATOM 861 N ALA A 59 -5.041 3.550 1.041 1.00 0.91 N ATOM 862 CA ALA A 59 -4.336 2.821 2.088 1.00 0.88 C ATOM 863 C ALA A 59 -2.842 3.145 2.248 1.00 0.85 C ATOM 864 O ALA A 59 -2.270 2.747 3.264 1.00 0.96 O ATOM 865 CB ALA A 59 -4.600 1.326 1.890 1.00 1.00 C ATOM 0 H ALA A 59 -5.278 2.976 0.232 1.00 0.91 H new ATOM 0 HA ALA A 59 -4.741 3.161 3.041 1.00 0.88 H new ATOM 0 HB1 ALA A 59 -4.081 0.759 2.663 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.671 1.134 1.956 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.236 1.019 0.910 1.00 1.00 H new ATOM 871 N VAL A 60 -2.226 3.882 1.318 1.00 0.82 N ATOM 872 CA VAL A 60 -0.916 4.542 1.531 1.00 0.83 C ATOM 873 C VAL A 60 -1.044 6.017 1.932 1.00 0.80 C ATOM 874 O VAL A 60 -0.219 6.528 2.686 1.00 0.79 O ATOM 875 CB VAL A 60 0.033 4.429 0.322 1.00 1.13 C ATOM 876 CG1 VAL A 60 0.512 2.983 0.139 1.00 2.18 C ATOM 877 CG2 VAL A 60 -0.491 4.903 -1.033 1.00 1.52 C ATOM 0 H VAL A 60 -2.616 4.043 0.390 1.00 0.82 H new ATOM 0 HA VAL A 60 -0.478 3.990 2.362 1.00 0.83 H new ATOM 0 HB VAL A 60 0.831 5.119 0.595 1.00 1.13 H new ATOM 0 HG11 VAL A 60 1.181 2.927 -0.720 1.00 2.18 H new ATOM 0 HG12 VAL A 60 1.043 2.660 1.034 1.00 2.18 H new ATOM 0 HG13 VAL A 60 -0.347 2.333 -0.027 1.00 2.18 H new ATOM 0 HG21 VAL A 60 0.281 4.765 -1.790 1.00 1.52 H new ATOM 0 HG22 VAL A 60 -1.373 4.324 -1.305 1.00 1.52 H new ATOM 0 HG23 VAL A 60 -0.755 5.959 -0.972 1.00 1.52 H new ATOM 887 N GLU A 61 -2.103 6.691 1.492 1.00 0.83 N ATOM 888 CA GLU A 61 -2.421 8.082 1.870 1.00 0.86 C ATOM 889 C GLU A 61 -2.862 8.188 3.341 1.00 0.72 C ATOM 890 O GLU A 61 -2.474 9.121 4.040 1.00 0.77 O ATOM 891 CB GLU A 61 -3.401 8.691 0.846 1.00 1.17 C ATOM 892 CG GLU A 61 -2.574 9.041 -0.399 1.00 2.15 C ATOM 893 CD GLU A 61 -3.355 9.538 -1.605 1.00 1.74 C ATOM 894 OE1 GLU A 61 -3.573 10.769 -1.689 1.00 1.92 O ATOM 895 OE2 GLU A 61 -3.526 8.735 -2.547 1.00 2.97 O ATOM 0 H GLU A 61 -2.783 6.285 0.849 1.00 0.83 H new ATOM 0 HA GLU A 61 -1.520 8.693 1.824 1.00 0.86 H new ATOM 0 HB2 GLU A 61 -4.192 7.983 0.599 1.00 1.17 H new ATOM 0 HB3 GLU A 61 -3.884 9.580 1.253 1.00 1.17 H new ATOM 0 HG2 GLU A 61 -1.846 9.804 -0.124 1.00 2.15 H new ATOM 0 HG3 GLU A 61 -2.011 8.156 -0.696 1.00 2.15 H new ATOM 902 N ARG A 62 -3.450 7.109 3.864 1.00 0.74 N ATOM 903 CA ARG A 62 -3.537 6.665 5.266 1.00 0.89 C ATOM 904 C ARG A 62 -2.269 6.861 6.116 1.00 0.81 C ATOM 905 O ARG A 62 -2.347 6.836 7.348 1.00 0.97 O ATOM 906 CB ARG A 62 -3.897 5.167 5.169 1.00 1.18 C ATOM 907 CG ARG A 62 -3.722 4.282 6.411 1.00 1.23 C ATOM 908 CD ARG A 62 -2.283 3.770 6.665 1.00 1.14 C ATOM 909 NE ARG A 62 -2.262 2.903 7.841 1.00 1.61 N ATOM 910 CZ ARG A 62 -2.414 3.289 9.098 1.00 1.25 C ATOM 911 NH1 ARG A 62 -2.503 4.557 9.455 1.00 1.51 N ATOM 912 NH2 ARG A 62 -2.458 2.356 10.017 1.00 2.00 N ATOM 0 H ARG A 62 -3.931 6.450 3.252 1.00 0.74 H new ATOM 0 HA ARG A 62 -4.272 7.277 5.789 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -4.940 5.098 4.859 1.00 1.18 H new ATOM 0 HB3 ARG A 62 -3.297 4.735 4.368 1.00 1.18 H new ATOM 0 HG2 ARG A 62 -4.049 4.844 7.286 1.00 1.23 H new ATOM 0 HG3 ARG A 62 -4.385 3.421 6.319 1.00 1.23 H new ATOM 0 HD2 ARG A 62 -1.923 3.223 5.793 1.00 1.14 H new ATOM 0 HD3 ARG A 62 -1.609 4.614 6.813 1.00 1.14 H new ATOM 0 HE ARG A 62 -2.117 1.907 7.678 1.00 1.61 H new ATOM 0 HH11 ARG A 62 -2.455 5.290 8.748 1.00 1.51 H new ATOM 0 HH12 ARG A 62 -2.620 4.803 10.438 1.00 1.51 H new ATOM 0 HH21 ARG A 62 -2.376 1.375 9.752 1.00 2.00 H new ATOM 0 HH22 ARG A 62 -2.574 2.611 10.998 1.00 2.00 H new ATOM 926 N ALA A 63 -1.084 6.913 5.501 1.00 0.65 N ATOM 927 CA ALA A 63 0.211 7.136 6.162 1.00 0.67 C ATOM 928 C ALA A 63 0.807 8.536 5.897 1.00 0.76 C ATOM 929 O ALA A 63 1.840 8.865 6.474 1.00 0.87 O ATOM 930 CB ALA A 63 1.169 6.030 5.691 1.00 0.73 C ATOM 0 H ALA A 63 -0.994 6.797 4.492 1.00 0.65 H new ATOM 0 HA ALA A 63 0.061 7.095 7.241 1.00 0.67 H new ATOM 0 HB1 ALA A 63 2.142 6.166 6.164 1.00 0.73 H new ATOM 0 HB2 ALA A 63 0.764 5.056 5.967 1.00 0.73 H new ATOM 0 HB3 ALA A 63 1.281 6.083 4.608 1.00 0.73 H new ATOM 936 N GLY A 64 0.189 9.333 5.018 1.00 0.79 N ATOM 937 CA GLY A 64 0.728 10.570 4.448 1.00 0.91 C ATOM 938 C GLY A 64 1.427 10.317 3.112 1.00 0.91 C ATOM 939 O GLY A 64 1.828 11.256 2.430 1.00 1.09 O ATOM 0 H GLY A 64 -0.746 9.121 4.669 1.00 0.79 H new ATOM 0 HA2 GLY A 64 -0.080 11.288 4.306 1.00 0.91 H new ATOM 0 HA3 GLY A 64 1.433 11.017 5.149 1.00 0.91 H new ATOM 943 N TYR A 65 1.592 9.045 2.736 1.00 0.86 N ATOM 944 CA TYR A 65 2.388 8.606 1.588 1.00 0.87 C ATOM 945 C TYR A 65 1.529 8.399 0.322 1.00 0.87 C ATOM 946 O TYR A 65 0.383 8.833 0.312 1.00 0.94 O ATOM 947 CB TYR A 65 3.240 7.402 2.033 1.00 0.89 C ATOM 948 CG TYR A 65 4.073 7.631 3.299 1.00 0.91 C ATOM 949 CD1 TYR A 65 4.515 8.925 3.651 1.00 1.70 C ATOM 950 CD2 TYR A 65 4.414 6.544 4.134 1.00 2.01 C ATOM 951 CE1 TYR A 65 5.261 9.138 4.820 1.00 1.91 C ATOM 952 CE2 TYR A 65 5.178 6.748 5.305 1.00 2.01 C ATOM 953 CZ TYR A 65 5.606 8.054 5.647 1.00 1.24 C ATOM 954 OH TYR A 65 6.398 8.301 6.726 1.00 1.50 O ATOM 0 H TYR A 65 1.161 8.269 3.239 1.00 0.86 H new ATOM 0 HA TYR A 65 3.080 9.385 1.268 1.00 0.87 H new ATOM 0 HB2 TYR A 65 2.580 6.551 2.199 1.00 0.89 H new ATOM 0 HB3 TYR A 65 3.911 7.130 1.219 1.00 0.89 H new ATOM 0 HD1 TYR A 65 4.276 9.762 3.012 1.00 1.70 H new ATOM 0 HD2 TYR A 65 4.088 5.548 3.875 1.00 2.01 H new ATOM 0 HE1 TYR A 65 5.571 10.138 5.086 1.00 1.91 H new ATOM 0 HE2 TYR A 65 5.435 5.911 5.937 1.00 2.01 H new ATOM 0 HH TYR A 65 6.585 7.460 7.194 1.00 1.50 H new ATOM 964 N HIS A 66 2.058 7.856 -0.787 1.00 1.14 N ATOM 965 CA HIS A 66 1.414 7.933 -2.114 1.00 1.05 C ATOM 966 C HIS A 66 1.758 6.736 -3.000 1.00 1.05 C ATOM 967 O HIS A 66 2.810 6.131 -2.839 1.00 1.17 O ATOM 968 CB HIS A 66 1.811 9.268 -2.787 1.00 1.14 C ATOM 969 CG HIS A 66 0.776 10.343 -2.574 1.00 1.13 C ATOM 970 ND1 HIS A 66 0.694 11.194 -1.483 1.00 1.88 N ATOM 971 CD2 HIS A 66 -0.382 10.476 -3.291 1.00 2.08 C ATOM 972 CE1 HIS A 66 -0.500 11.814 -1.532 1.00 1.73 C ATOM 973 NE2 HIS A 66 -1.163 11.405 -2.631 1.00 1.80 N ATOM 0 H HIS A 66 2.944 7.351 -0.791 1.00 1.14 H new ATOM 0 HA HIS A 66 0.333 7.900 -1.977 1.00 1.05 H new ATOM 0 HB2 HIS A 66 2.768 9.603 -2.388 1.00 1.14 H new ATOM 0 HB3 HIS A 66 1.950 9.107 -3.856 1.00 1.14 H new ATOM 0 HD2 HIS A 66 -0.637 9.953 -4.201 1.00 2.08 H new ATOM 0 HE1 HIS A 66 -0.867 12.525 -0.807 1.00 1.73 H new ATOM 0 HE2 HIS A 66 -2.085 11.727 -2.926 1.00 1.80 H new ATOM 982 N ALA A 67 0.902 6.433 -3.973 1.00 0.99 N ATOM 983 CA ALA A 67 1.068 5.332 -4.922 1.00 1.10 C ATOM 984 C ALA A 67 1.808 5.802 -6.191 1.00 1.21 C ATOM 985 O ALA A 67 1.199 6.263 -7.159 1.00 1.78 O ATOM 986 CB ALA A 67 -0.337 4.782 -5.219 1.00 1.09 C ATOM 0 H ALA A 67 0.045 6.964 -4.129 1.00 0.99 H new ATOM 0 HA ALA A 67 1.689 4.539 -4.506 1.00 1.10 H new ATOM 0 HB1 ALA A 67 -0.262 3.955 -5.926 1.00 1.09 H new ATOM 0 HB2 ALA A 67 -0.792 4.429 -4.294 1.00 1.09 H new ATOM 0 HB3 ALA A 67 -0.954 5.572 -5.648 1.00 1.09 H new ATOM 992 N ARG A 68 3.140 5.665 -6.202 1.00 0.80 N ATOM 993 CA ARG A 68 3.983 6.059 -7.333 1.00 0.84 C ATOM 994 C ARG A 68 3.944 5.004 -8.416 1.00 0.79 C ATOM 995 O ARG A 68 4.601 3.962 -8.386 1.00 0.76 O ATOM 996 CB ARG A 68 5.413 6.288 -6.882 1.00 1.15 C ATOM 997 CG ARG A 68 6.496 6.483 -7.946 1.00 1.41 C ATOM 998 CD ARG A 68 6.316 7.706 -8.857 1.00 2.39 C ATOM 999 NE ARG A 68 7.598 8.025 -9.508 1.00 2.81 N ATOM 1000 CZ ARG A 68 8.612 8.641 -8.907 1.00 2.96 C ATOM 1001 NH1 ARG A 68 8.454 9.322 -7.790 1.00 2.94 N ATOM 1002 NH2 ARG A 68 9.822 8.561 -9.422 1.00 3.89 N ATOM 0 H ARG A 68 3.665 5.274 -5.419 1.00 0.80 H new ATOM 0 HA ARG A 68 3.592 6.993 -7.738 1.00 0.84 H new ATOM 0 HB2 ARG A 68 5.420 7.167 -6.238 1.00 1.15 H new ATOM 0 HB3 ARG A 68 5.705 5.439 -6.265 1.00 1.15 H new ATOM 0 HG2 ARG A 68 7.461 6.563 -7.446 1.00 1.41 H new ATOM 0 HG3 ARG A 68 6.533 5.590 -8.570 1.00 1.41 H new ATOM 0 HD2 ARG A 68 5.554 7.503 -9.610 1.00 2.39 H new ATOM 0 HD3 ARG A 68 5.969 8.559 -8.274 1.00 2.39 H new ATOM 0 HE ARG A 68 7.716 7.756 -10.485 1.00 2.81 H new ATOM 0 HH11 ARG A 68 7.532 9.389 -7.360 1.00 2.94 H new ATOM 0 HH12 ARG A 68 9.254 9.782 -7.356 1.00 2.94 H new ATOM 0 HH21 ARG A 68 9.978 8.028 -10.278 1.00 3.89 H new ATOM 0 HH22 ARG A 68 10.603 9.032 -8.965 1.00 3.89 H new ATOM 1016 N VAL A 69 3.215 5.375 -9.440 1.00 1.13 N ATOM 1017 CA VAL A 69 3.181 4.712 -10.723 1.00 1.27 C ATOM 1018 C VAL A 69 4.543 4.844 -11.397 1.00 1.44 C ATOM 1019 O VAL A 69 4.996 5.938 -11.731 1.00 1.78 O ATOM 1020 CB VAL A 69 2.026 5.268 -11.581 1.00 1.75 C ATOM 1021 CG1 VAL A 69 0.707 4.583 -11.191 1.00 2.28 C ATOM 1022 CG2 VAL A 69 1.844 6.799 -11.524 1.00 2.51 C ATOM 0 H VAL A 69 2.599 6.187 -9.400 1.00 1.13 H new ATOM 0 HA VAL A 69 2.984 3.648 -10.594 1.00 1.27 H new ATOM 0 HB VAL A 69 2.303 5.042 -12.611 1.00 1.75 H new ATOM 0 HG11 VAL A 69 -0.104 4.981 -11.801 1.00 2.28 H new ATOM 0 HG12 VAL A 69 0.792 3.509 -11.356 1.00 2.28 H new ATOM 0 HG13 VAL A 69 0.496 4.773 -10.139 1.00 2.28 H new ATOM 0 HG21 VAL A 69 1.008 7.090 -12.160 1.00 2.51 H new ATOM 0 HG22 VAL A 69 1.642 7.103 -10.497 1.00 2.51 H new ATOM 0 HG23 VAL A 69 2.753 7.287 -11.875 1.00 2.51 H new ATOM 1032 N LEU A 70 5.232 3.708 -11.509 1.00 1.30 N ATOM 1033 CA LEU A 70 6.592 3.641 -12.027 1.00 1.51 C ATOM 1034 C LEU A 70 6.594 3.280 -13.514 1.00 1.61 C ATOM 1035 O LEU A 70 5.854 2.401 -13.947 1.00 1.77 O ATOM 1036 CB LEU A 70 7.424 2.702 -11.131 1.00 1.47 C ATOM 1037 CG LEU A 70 7.126 1.183 -11.185 1.00 1.35 C ATOM 1038 CD1 LEU A 70 7.888 0.441 -12.299 1.00 1.61 C ATOM 1039 CD2 LEU A 70 7.550 0.531 -9.862 1.00 1.47 C ATOM 0 H LEU A 70 4.854 2.800 -11.239 1.00 1.30 H new ATOM 0 HA LEU A 70 7.072 4.619 -11.984 1.00 1.51 H new ATOM 0 HB2 LEU A 70 8.474 2.844 -11.385 1.00 1.47 H new ATOM 0 HB3 LEU A 70 7.298 3.029 -10.099 1.00 1.47 H new ATOM 0 HG LEU A 70 6.056 1.101 -11.378 1.00 1.35 H new ATOM 0 HD11 LEU A 70 7.629 -0.617 -12.275 1.00 1.61 H new ATOM 0 HD12 LEU A 70 7.615 0.859 -13.268 1.00 1.61 H new ATOM 0 HD13 LEU A 70 8.961 0.555 -12.144 1.00 1.61 H new ATOM 0 HD21 LEU A 70 7.340 -0.538 -9.900 1.00 1.47 H new ATOM 0 HD22 LEU A 70 8.617 0.686 -9.706 1.00 1.47 H new ATOM 0 HD23 LEU A 70 6.994 0.981 -9.040 1.00 1.47 H new ATOM 1051 N LYS A 71 7.454 3.944 -14.289 1.00 1.99 N ATOM 1052 CA LYS A 71 7.750 3.632 -15.689 1.00 2.11 C ATOM 1053 C LYS A 71 8.997 4.399 -16.163 1.00 2.90 C ATOM 1054 O LYS A 71 9.443 5.340 -15.516 1.00 3.68 O ATOM 1055 CB LYS A 71 6.521 3.858 -16.604 1.00 2.97 C ATOM 1056 CG LYS A 71 6.539 2.902 -17.811 1.00 3.68 C ATOM 1057 CD LYS A 71 5.185 2.860 -18.529 1.00 4.81 C ATOM 1058 CE LYS A 71 5.246 2.012 -19.807 1.00 5.38 C ATOM 1059 NZ LYS A 71 5.615 0.597 -19.548 1.00 5.93 N ATOM 0 H LYS A 71 7.984 4.745 -13.945 1.00 1.99 H new ATOM 0 HA LYS A 71 7.980 2.569 -15.760 1.00 2.11 H new ATOM 0 HB2 LYS A 71 5.606 3.707 -16.031 1.00 2.97 H new ATOM 0 HB3 LYS A 71 6.511 4.890 -16.955 1.00 2.97 H new ATOM 0 HG2 LYS A 71 7.312 3.217 -18.512 1.00 3.68 H new ATOM 0 HG3 LYS A 71 6.803 1.899 -17.476 1.00 3.68 H new ATOM 0 HD2 LYS A 71 4.430 2.452 -17.857 1.00 4.81 H new ATOM 0 HD3 LYS A 71 4.874 3.874 -18.780 1.00 4.81 H new ATOM 0 HE2 LYS A 71 4.276 2.044 -20.304 1.00 5.38 H new ATOM 0 HE3 LYS A 71 5.970 2.451 -20.493 1.00 5.38 H new ATOM 0 HZ1 LYS A 71 5.558 0.056 -20.434 1.00 5.93 H new ATOM 0 HZ2 LYS A 71 6.586 0.554 -19.178 1.00 5.93 H new ATOM 0 HZ3 LYS A 71 4.960 0.190 -18.850 1.00 5.93 H new ATOM 1073 N GLN A 72 9.534 3.956 -17.300 1.00 3.27 N ATOM 1074 CA GLN A 72 10.799 4.338 -17.941 1.00 4.21 C ATOM 1075 C GLN A 72 11.004 3.404 -19.141 1.00 4.03 C ATOM 1076 O GLN A 72 11.376 3.849 -20.218 1.00 4.81 O ATOM 1077 CB GLN A 72 11.978 4.249 -16.947 1.00 5.02 C ATOM 1078 CG GLN A 72 13.333 4.584 -17.594 1.00 6.03 C ATOM 1079 CD GLN A 72 14.494 4.543 -16.599 1.00 7.07 C ATOM 1080 OE1 GLN A 72 14.347 4.699 -15.400 1.00 7.43 O ATOM 1081 NE2 GLN A 72 15.705 4.320 -17.060 1.00 8.13 N ATOM 0 H GLN A 72 9.048 3.250 -17.853 1.00 3.27 H new ATOM 0 HA GLN A 72 10.759 5.375 -18.274 1.00 4.21 H new ATOM 0 HB2 GLN A 72 11.799 4.932 -16.117 1.00 5.02 H new ATOM 0 HB3 GLN A 72 12.019 3.243 -16.529 1.00 5.02 H new ATOM 0 HG2 GLN A 72 13.528 3.879 -18.402 1.00 6.03 H new ATOM 0 HG3 GLN A 72 13.280 5.576 -18.043 1.00 6.03 H new ATOM 0 HE21 GLN A 72 15.853 4.186 -18.060 1.00 8.13 H new ATOM 0 HE22 GLN A 72 16.496 4.281 -16.417 1.00 8.13 H new ATOM 1090 N GLN A 73 10.714 2.108 -18.977 1.00 3.82 N ATOM 1091 CA GLN A 73 10.716 1.135 -20.064 1.00 3.99 C ATOM 1092 C GLN A 73 9.414 1.167 -20.888 1.00 4.44 C ATOM 1093 O GLN A 73 8.324 1.343 -20.343 1.00 5.02 O ATOM 1094 CB GLN A 73 11.049 -0.267 -19.509 1.00 4.56 C ATOM 1095 CG GLN A 73 10.133 -0.816 -18.392 1.00 5.19 C ATOM 1096 CD GLN A 73 8.787 -1.359 -18.875 1.00 5.72 C ATOM 1097 OE1 GLN A 73 7.722 -0.855 -18.544 1.00 6.15 O ATOM 1098 NE2 GLN A 73 8.779 -2.407 -19.669 1.00 6.46 N ATOM 0 H GLN A 73 10.469 1.705 -18.072 1.00 3.82 H new ATOM 0 HA GLN A 73 11.499 1.408 -20.771 1.00 3.99 H new ATOM 0 HB2 GLN A 73 11.031 -0.973 -20.339 1.00 4.56 H new ATOM 0 HB3 GLN A 73 12.071 -0.247 -19.130 1.00 4.56 H new ATOM 0 HG2 GLN A 73 10.662 -1.611 -17.866 1.00 5.19 H new ATOM 0 HG3 GLN A 73 9.950 -0.022 -17.668 1.00 5.19 H new ATOM 0 HE21 GLN A 73 9.659 -2.838 -19.954 1.00 6.46 H new ATOM 0 HE22 GLN A 73 7.893 -2.789 -20.000 1.00 6.46 H new TER 1107 GLN A 73