USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 46 LYS NZ :NH3+ 178:sc= -0.191 (180deg=-0.369) USER MOD Set 1.2: A 66 THR OG1 : rot 140:sc= 0.157 USER MOD Set 2.1: A 32 SER OG : rot -160:sc= 0.363 USER MOD Set 2.2: A 38 GLN : amide:sc= 0 K(o=0.36,f=-0.63) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -136:sc= 0.858 (180deg=-0.0516) USER MOD Set 3.2: A 72 TYR OH : rot 104:sc= 0.185 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.281 K(o=-0.28,f=-0.97) USER MOD Single : A 13 LYS NZ :NH3+ 137:sc= 0.225 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -160:sc= 0.361 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0.00589 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.97) USER MOD Single : A 37 THR OG1 : rot 57:sc= -1.91 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 49 SER OG : rot -107:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.0408 (180deg=0.00232) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0009 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.3! USER MOD Single : A 63 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.47) USER MOD Single : A 65 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.037) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.520 5.970 6.374 1.00 0.73 N ATOM 2 CA MET A 1 9.533 4.916 5.993 1.00 0.59 C ATOM 3 C MET A 1 8.128 5.325 6.462 1.00 0.52 C ATOM 4 O MET A 1 7.963 5.897 7.527 1.00 0.69 O ATOM 5 CB MET A 1 9.923 3.586 6.648 1.00 0.86 C ATOM 6 CG MET A 1 9.911 2.473 5.599 1.00 1.17 C ATOM 7 SD MET A 1 10.567 0.949 6.327 1.00 1.19 S ATOM 8 CE MET A 1 10.681 -0.005 4.793 1.00 1.59 C ATOM 0 H1 MET A 1 11.469 5.689 6.055 1.00 0.73 H new ATOM 0 H2 MET A 1 10.257 6.871 5.926 1.00 0.73 H new ATOM 0 H3 MET A 1 10.523 6.086 7.408 1.00 0.73 H new ATOM 0 HA MET A 1 9.532 4.801 4.909 1.00 0.59 H new ATOM 0 HB2 MET A 1 10.914 3.667 7.096 1.00 0.86 H new ATOM 0 HB3 MET A 1 9.228 3.348 7.453 1.00 0.86 H new ATOM 0 HG2 MET A 1 8.895 2.309 5.239 1.00 1.17 H new ATOM 0 HG3 MET A 1 10.511 2.765 4.737 1.00 1.17 H new ATOM 0 HE1 MET A 1 11.071 -0.999 5.011 1.00 1.59 H new ATOM 0 HE2 MET A 1 9.691 -0.093 4.345 1.00 1.59 H new ATOM 0 HE3 MET A 1 11.350 0.502 4.098 1.00 1.59 H new ATOM 18 N ILE A 2 7.119 5.033 5.674 1.00 0.39 N ATOM 19 CA ILE A 2 5.718 5.397 6.063 1.00 0.33 C ATOM 20 C ILE A 2 4.830 4.147 6.068 1.00 0.33 C ATOM 21 O ILE A 2 5.163 3.131 5.483 1.00 0.38 O ATOM 22 CB ILE A 2 5.143 6.423 5.074 1.00 0.28 C ATOM 23 CG1 ILE A 2 5.275 5.903 3.637 1.00 0.34 C ATOM 24 CG2 ILE A 2 5.895 7.749 5.209 1.00 0.31 C ATOM 25 CD1 ILE A 2 4.048 6.322 2.827 1.00 0.53 C ATOM 0 H ILE A 2 7.206 4.557 4.776 1.00 0.39 H new ATOM 0 HA ILE A 2 5.739 5.831 7.063 1.00 0.33 H new ATOM 0 HB ILE A 2 4.088 6.578 5.301 1.00 0.28 H new ATOM 0 HG12 ILE A 2 6.180 6.300 3.177 1.00 0.34 H new ATOM 0 HG13 ILE A 2 5.369 4.817 3.639 1.00 0.34 H new ATOM 0 HG21 ILE A 2 5.484 8.474 4.506 1.00 0.31 H new ATOM 0 HG22 ILE A 2 5.786 8.127 6.225 1.00 0.31 H new ATOM 0 HG23 ILE A 2 6.952 7.592 4.992 1.00 0.31 H new ATOM 0 HD11 ILE A 2 4.142 5.952 1.806 1.00 0.53 H new ATOM 0 HD12 ILE A 2 3.151 5.904 3.283 1.00 0.53 H new ATOM 0 HD13 ILE A 2 3.975 7.409 2.814 1.00 0.53 H new ATOM 37 N GLU A 3 3.696 4.225 6.720 1.00 0.31 N ATOM 38 CA GLU A 3 2.760 3.061 6.774 1.00 0.32 C ATOM 39 C GLU A 3 1.605 3.300 5.795 1.00 0.27 C ATOM 40 O GLU A 3 1.199 4.427 5.568 1.00 0.32 O ATOM 41 CB GLU A 3 2.206 2.915 8.195 1.00 0.37 C ATOM 42 CG GLU A 3 3.293 2.355 9.118 1.00 0.42 C ATOM 43 CD GLU A 3 4.076 3.506 9.761 1.00 0.52 C ATOM 44 OE1 GLU A 3 3.558 4.105 10.691 1.00 0.61 O ATOM 45 OE2 GLU A 3 5.182 3.767 9.314 1.00 0.65 O ATOM 0 H GLU A 3 3.377 5.054 7.222 1.00 0.31 H new ATOM 0 HA GLU A 3 3.291 2.149 6.500 1.00 0.32 H new ATOM 0 HB2 GLU A 3 1.865 3.882 8.564 1.00 0.37 H new ATOM 0 HB3 GLU A 3 1.341 2.252 8.192 1.00 0.37 H new ATOM 0 HG2 GLU A 3 2.841 1.734 9.892 1.00 0.42 H new ATOM 0 HG3 GLU A 3 3.970 1.715 8.551 1.00 0.42 H new ATOM 52 N VAL A 4 1.077 2.252 5.208 1.00 0.25 N ATOM 53 CA VAL A 4 -0.050 2.423 4.236 1.00 0.23 C ATOM 54 C VAL A 4 -1.133 1.368 4.495 1.00 0.22 C ATOM 55 O VAL A 4 -0.869 0.302 5.025 1.00 0.27 O ATOM 56 CB VAL A 4 0.470 2.271 2.799 1.00 0.28 C ATOM 57 CG1 VAL A 4 -0.537 2.882 1.821 1.00 0.34 C ATOM 58 CG2 VAL A 4 1.817 2.987 2.648 1.00 0.38 C ATOM 0 H VAL A 4 1.376 1.289 5.359 1.00 0.25 H new ATOM 0 HA VAL A 4 -0.475 3.418 4.366 1.00 0.23 H new ATOM 0 HB VAL A 4 0.599 1.211 2.581 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -0.166 2.773 0.802 1.00 0.34 H new ATOM 0 HG12 VAL A 4 -1.494 2.369 1.916 1.00 0.34 H new ATOM 0 HG13 VAL A 4 -0.669 3.940 2.048 1.00 0.34 H new ATOM 0 HG21 VAL A 4 2.177 2.873 1.625 1.00 0.38 H new ATOM 0 HG22 VAL A 4 1.693 4.046 2.873 1.00 0.38 H new ATOM 0 HG23 VAL A 4 2.540 2.551 3.338 1.00 0.38 H new ATOM 68 N VAL A 5 -2.350 1.665 4.108 1.00 0.22 N ATOM 69 CA VAL A 5 -3.477 0.701 4.302 1.00 0.25 C ATOM 70 C VAL A 5 -4.095 0.399 2.931 1.00 0.28 C ATOM 71 O VAL A 5 -4.642 1.275 2.287 1.00 0.47 O ATOM 72 CB VAL A 5 -4.539 1.320 5.225 1.00 0.35 C ATOM 73 CG1 VAL A 5 -5.537 0.240 5.655 1.00 0.46 C ATOM 74 CG2 VAL A 5 -3.867 1.908 6.470 1.00 0.47 C ATOM 0 H VAL A 5 -2.612 2.544 3.661 1.00 0.22 H new ATOM 0 HA VAL A 5 -3.109 -0.218 4.759 1.00 0.25 H new ATOM 0 HB VAL A 5 -5.061 2.111 4.687 1.00 0.35 H new ATOM 0 HG11 VAL A 5 -6.290 0.680 6.309 1.00 0.46 H new ATOM 0 HG12 VAL A 5 -6.023 -0.178 4.773 1.00 0.46 H new ATOM 0 HG13 VAL A 5 -5.010 -0.551 6.189 1.00 0.46 H new ATOM 0 HG21 VAL A 5 -4.625 2.345 7.120 1.00 0.47 H new ATOM 0 HG22 VAL A 5 -3.340 1.119 7.006 1.00 0.47 H new ATOM 0 HG23 VAL A 5 -3.157 2.679 6.170 1.00 0.47 H new ATOM 84 N VAL A 6 -3.997 -0.826 2.474 1.00 0.28 N ATOM 85 CA VAL A 6 -4.562 -1.180 1.132 1.00 0.35 C ATOM 86 C VAL A 6 -5.877 -1.950 1.310 1.00 0.31 C ATOM 87 O VAL A 6 -5.889 -3.074 1.778 1.00 0.39 O ATOM 88 CB VAL A 6 -3.563 -2.041 0.330 1.00 0.51 C ATOM 89 CG1 VAL A 6 -3.415 -1.462 -1.078 1.00 0.97 C ATOM 90 CG2 VAL A 6 -2.186 -2.056 1.010 1.00 0.97 C ATOM 0 H VAL A 6 -3.550 -1.596 2.971 1.00 0.28 H new ATOM 0 HA VAL A 6 -4.749 -0.258 0.581 1.00 0.35 H new ATOM 0 HB VAL A 6 -3.944 -3.061 0.284 1.00 0.51 H new ATOM 0 HG11 VAL A 6 -2.710 -2.067 -1.648 1.00 0.97 H new ATOM 0 HG12 VAL A 6 -4.384 -1.467 -1.577 1.00 0.97 H new ATOM 0 HG13 VAL A 6 -3.045 -0.439 -1.014 1.00 0.97 H new ATOM 0 HG21 VAL A 6 -1.499 -2.669 0.427 1.00 0.97 H new ATOM 0 HG22 VAL A 6 -1.800 -1.038 1.073 1.00 0.97 H new ATOM 0 HG23 VAL A 6 -2.280 -2.471 2.013 1.00 0.97 H new ATOM 100 N ASN A 7 -6.981 -1.349 0.928 1.00 0.30 N ATOM 101 CA ASN A 7 -8.309 -2.029 1.061 1.00 0.28 C ATOM 102 C ASN A 7 -8.696 -2.649 -0.286 1.00 0.28 C ATOM 103 O ASN A 7 -8.685 -1.985 -1.308 1.00 0.35 O ATOM 104 CB ASN A 7 -9.371 -1.004 1.477 1.00 0.34 C ATOM 105 CG ASN A 7 -9.348 -0.828 2.997 1.00 0.47 C ATOM 106 OD1 ASN A 7 -10.148 -1.414 3.699 1.00 0.68 O ATOM 107 ND2 ASN A 7 -8.459 -0.040 3.539 1.00 0.64 N ATOM 0 H ASN A 7 -7.018 -0.412 0.528 1.00 0.30 H new ATOM 0 HA ASN A 7 -8.245 -2.810 1.819 1.00 0.28 H new ATOM 0 HB2 ASN A 7 -9.180 -0.049 0.987 1.00 0.34 H new ATOM 0 HB3 ASN A 7 -10.358 -1.336 1.154 1.00 0.34 H new ATOM 0 HD21 ASN A 7 -8.436 0.083 4.551 1.00 0.64 H new ATOM 0 HD22 ASN A 7 -7.787 0.452 2.950 1.00 0.64 H new ATOM 114 N ASP A 8 -9.027 -3.920 -0.292 1.00 0.30 N ATOM 115 CA ASP A 8 -9.402 -4.597 -1.570 1.00 0.34 C ATOM 116 C ASP A 8 -10.806 -4.169 -2.006 1.00 0.36 C ATOM 117 O ASP A 8 -10.977 -3.559 -3.048 1.00 0.47 O ATOM 118 CB ASP A 8 -9.364 -6.118 -1.381 1.00 0.40 C ATOM 119 CG ASP A 8 -8.125 -6.689 -2.075 1.00 0.54 C ATOM 120 OD1 ASP A 8 -7.067 -6.666 -1.469 1.00 0.75 O ATOM 121 OD2 ASP A 8 -8.252 -7.135 -3.202 1.00 0.84 O ATOM 0 H ASP A 8 -9.053 -4.516 0.535 1.00 0.30 H new ATOM 0 HA ASP A 8 -8.689 -4.308 -2.342 1.00 0.34 H new ATOM 0 HB2 ASP A 8 -9.344 -6.363 -0.319 1.00 0.40 H new ATOM 0 HB3 ASP A 8 -10.266 -6.569 -1.795 1.00 0.40 H new ATOM 126 N ARG A 9 -11.812 -4.488 -1.224 1.00 0.37 N ATOM 127 CA ARG A 9 -13.208 -4.106 -1.594 1.00 0.43 C ATOM 128 C ARG A 9 -13.941 -3.561 -0.360 1.00 0.46 C ATOM 129 O ARG A 9 -14.276 -2.391 -0.303 1.00 0.58 O ATOM 130 CB ARG A 9 -13.943 -5.334 -2.143 1.00 0.53 C ATOM 131 CG ARG A 9 -13.697 -5.450 -3.652 1.00 0.64 C ATOM 132 CD ARG A 9 -12.627 -6.513 -3.919 1.00 0.68 C ATOM 133 NE ARG A 9 -11.720 -6.048 -5.009 1.00 0.85 N ATOM 134 CZ ARG A 9 -11.056 -6.916 -5.726 1.00 0.81 C ATOM 135 NH1 ARG A 9 -11.693 -7.720 -6.538 1.00 1.54 N ATOM 136 NH2 ARG A 9 -9.754 -6.977 -5.634 1.00 1.14 N ATOM 0 H ARG A 9 -11.723 -4.997 -0.345 1.00 0.37 H new ATOM 0 HA ARG A 9 -13.183 -3.331 -2.360 1.00 0.43 H new ATOM 0 HB2 ARG A 9 -13.595 -6.235 -1.637 1.00 0.53 H new ATOM 0 HB3 ARG A 9 -15.011 -5.250 -1.944 1.00 0.53 H new ATOM 0 HG2 ARG A 9 -14.623 -5.716 -4.162 1.00 0.64 H new ATOM 0 HG3 ARG A 9 -13.377 -4.489 -4.053 1.00 0.64 H new ATOM 0 HD2 ARG A 9 -12.054 -6.702 -3.011 1.00 0.68 H new ATOM 0 HD3 ARG A 9 -13.098 -7.455 -4.201 1.00 0.68 H new ATOM 0 HE ARG A 9 -11.618 -5.050 -5.195 1.00 0.85 H new ATOM 0 HH11 ARG A 9 -12.709 -7.670 -6.612 1.00 1.54 H new ATOM 0 HH12 ARG A 9 -11.174 -8.397 -7.097 1.00 1.54 H new ATOM 0 HH21 ARG A 9 -9.257 -6.348 -5.003 1.00 1.14 H new ATOM 0 HH22 ARG A 9 -9.234 -7.654 -6.193 1.00 1.14 H new ATOM 150 N LEU A 10 -14.188 -4.396 0.626 1.00 0.52 N ATOM 151 CA LEU A 10 -14.897 -3.925 1.859 1.00 0.65 C ATOM 152 C LEU A 10 -14.660 -4.919 3.004 1.00 0.69 C ATOM 153 O LEU A 10 -15.093 -6.058 2.950 1.00 0.79 O ATOM 154 CB LEU A 10 -16.400 -3.808 1.578 1.00 0.81 C ATOM 155 CG LEU A 10 -16.946 -2.533 2.228 1.00 0.97 C ATOM 156 CD1 LEU A 10 -17.637 -1.671 1.170 1.00 1.19 C ATOM 157 CD2 LEU A 10 -17.954 -2.906 3.317 1.00 1.40 C ATOM 0 H LEU A 10 -13.929 -5.382 0.628 1.00 0.52 H new ATOM 0 HA LEU A 10 -14.508 -2.948 2.146 1.00 0.65 H new ATOM 0 HB2 LEU A 10 -16.579 -3.786 0.503 1.00 0.81 H new ATOM 0 HB3 LEU A 10 -16.923 -4.681 1.970 1.00 0.81 H new ATOM 0 HG LEU A 10 -16.122 -1.973 2.670 1.00 0.97 H new ATOM 0 HD11 LEU A 10 -18.024 -0.765 1.635 1.00 1.19 H new ATOM 0 HD12 LEU A 10 -16.920 -1.403 0.394 1.00 1.19 H new ATOM 0 HD13 LEU A 10 -18.460 -2.231 0.725 1.00 1.19 H new ATOM 0 HD21 LEU A 10 -18.342 -1.999 3.779 1.00 1.40 H new ATOM 0 HD22 LEU A 10 -18.776 -3.468 2.875 1.00 1.40 H new ATOM 0 HD23 LEU A 10 -17.462 -3.517 4.074 1.00 1.40 H new ATOM 169 N GLY A 11 -13.969 -4.493 4.039 1.00 0.76 N ATOM 170 CA GLY A 11 -13.691 -5.400 5.196 1.00 0.83 C ATOM 171 C GLY A 11 -12.282 -6.003 5.077 1.00 0.87 C ATOM 172 O GLY A 11 -11.677 -6.364 6.071 1.00 1.48 O ATOM 0 H GLY A 11 -13.586 -3.552 4.129 1.00 0.76 H new ATOM 0 HA2 GLY A 11 -13.779 -4.845 6.130 1.00 0.83 H new ATOM 0 HA3 GLY A 11 -14.433 -6.197 5.228 1.00 0.83 H new ATOM 176 N LYS A 12 -11.762 -6.125 3.874 1.00 0.59 N ATOM 177 CA LYS A 12 -10.398 -6.713 3.692 1.00 0.58 C ATOM 178 C LYS A 12 -9.371 -5.594 3.473 1.00 0.51 C ATOM 179 O LYS A 12 -9.484 -4.808 2.549 1.00 0.51 O ATOM 180 CB LYS A 12 -10.409 -7.648 2.476 1.00 0.63 C ATOM 181 CG LYS A 12 -9.786 -8.995 2.856 1.00 0.79 C ATOM 182 CD LYS A 12 -8.258 -8.891 2.819 1.00 0.96 C ATOM 183 CE LYS A 12 -7.763 -9.067 1.382 1.00 0.90 C ATOM 184 NZ LYS A 12 -6.749 -8.022 1.074 1.00 1.29 N ATOM 0 H LYS A 12 -12.227 -5.841 3.012 1.00 0.59 H new ATOM 0 HA LYS A 12 -10.124 -7.275 4.585 1.00 0.58 H new ATOM 0 HB2 LYS A 12 -11.431 -7.795 2.127 1.00 0.63 H new ATOM 0 HB3 LYS A 12 -9.853 -7.198 1.654 1.00 0.63 H new ATOM 0 HG2 LYS A 12 -10.115 -9.290 3.852 1.00 0.79 H new ATOM 0 HG3 LYS A 12 -10.123 -9.769 2.167 1.00 0.79 H new ATOM 0 HD2 LYS A 12 -7.940 -7.923 3.207 1.00 0.96 H new ATOM 0 HD3 LYS A 12 -7.816 -9.653 3.462 1.00 0.96 H new ATOM 0 HE2 LYS A 12 -7.329 -10.059 1.255 1.00 0.90 H new ATOM 0 HE3 LYS A 12 -8.599 -8.993 0.687 1.00 0.90 H new ATOM 0 HZ1 LYS A 12 -6.934 -7.626 0.130 1.00 1.29 H new ATOM 0 HZ2 LYS A 12 -6.804 -7.265 1.785 1.00 1.29 H new ATOM 0 HZ3 LYS A 12 -5.799 -8.444 1.091 1.00 1.29 H new ATOM 198 N LYS A 13 -8.367 -5.525 4.319 1.00 0.54 N ATOM 199 CA LYS A 13 -7.317 -4.466 4.174 1.00 0.51 C ATOM 200 C LYS A 13 -5.944 -5.029 4.581 1.00 0.50 C ATOM 201 O LYS A 13 -5.846 -5.897 5.430 1.00 0.63 O ATOM 202 CB LYS A 13 -7.671 -3.263 5.057 1.00 0.56 C ATOM 203 CG LYS A 13 -7.557 -3.643 6.538 1.00 0.60 C ATOM 204 CD LYS A 13 -8.526 -2.790 7.362 1.00 0.97 C ATOM 205 CE LYS A 13 -9.628 -3.684 7.942 1.00 1.22 C ATOM 206 NZ LYS A 13 -10.866 -3.546 7.124 1.00 1.89 N ATOM 0 H LYS A 13 -8.231 -6.160 5.106 1.00 0.54 H new ATOM 0 HA LYS A 13 -7.273 -4.146 3.133 1.00 0.51 H new ATOM 0 HB2 LYS A 13 -7.003 -2.430 4.835 1.00 0.56 H new ATOM 0 HB3 LYS A 13 -8.684 -2.927 4.837 1.00 0.56 H new ATOM 0 HG2 LYS A 13 -7.784 -4.701 6.671 1.00 0.60 H new ATOM 0 HG3 LYS A 13 -6.535 -3.490 6.886 1.00 0.60 H new ATOM 0 HD2 LYS A 13 -7.990 -2.287 8.167 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -8.965 -2.013 6.737 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -9.300 -4.723 7.951 1.00 1.22 H new ATOM 0 HE3 LYS A 13 -9.830 -3.405 8.976 1.00 1.22 H new ATOM 0 HZ1 LYS A 13 -11.287 -4.484 6.970 1.00 1.89 H new ATOM 0 HZ2 LYS A 13 -11.546 -2.939 7.624 1.00 1.89 H new ATOM 0 HZ3 LYS A 13 -10.630 -3.118 6.206 1.00 1.89 H new ATOM 220 N VAL A 14 -4.885 -4.536 3.975 1.00 0.45 N ATOM 221 CA VAL A 14 -3.511 -5.034 4.313 1.00 0.46 C ATOM 222 C VAL A 14 -2.619 -3.854 4.730 1.00 0.40 C ATOM 223 O VAL A 14 -2.730 -2.762 4.201 1.00 0.45 O ATOM 224 CB VAL A 14 -2.900 -5.729 3.085 1.00 0.51 C ATOM 225 CG1 VAL A 14 -1.598 -6.434 3.479 1.00 0.65 C ATOM 226 CG2 VAL A 14 -3.882 -6.767 2.535 1.00 0.66 C ATOM 0 H VAL A 14 -4.915 -3.809 3.260 1.00 0.45 H new ATOM 0 HA VAL A 14 -3.579 -5.744 5.138 1.00 0.46 H new ATOM 0 HB VAL A 14 -2.693 -4.978 2.323 1.00 0.51 H new ATOM 0 HG11 VAL A 14 -1.171 -6.924 2.604 1.00 0.65 H new ATOM 0 HG12 VAL A 14 -0.890 -5.701 3.866 1.00 0.65 H new ATOM 0 HG13 VAL A 14 -1.806 -7.179 4.247 1.00 0.65 H new ATOM 0 HG21 VAL A 14 -3.444 -7.257 1.665 1.00 0.66 H new ATOM 0 HG22 VAL A 14 -4.092 -7.511 3.303 1.00 0.66 H new ATOM 0 HG23 VAL A 14 -4.809 -6.273 2.245 1.00 0.66 H new ATOM 236 N ARG A 15 -1.726 -4.077 5.668 1.00 0.37 N ATOM 237 CA ARG A 15 -0.808 -2.987 6.123 1.00 0.35 C ATOM 238 C ARG A 15 0.555 -3.175 5.451 1.00 0.35 C ATOM 239 O ARG A 15 1.114 -4.258 5.456 1.00 0.45 O ATOM 240 CB ARG A 15 -0.648 -3.044 7.648 1.00 0.42 C ATOM 241 CG ARG A 15 -0.043 -1.728 8.152 1.00 0.50 C ATOM 242 CD ARG A 15 -1.134 -0.876 8.806 1.00 0.71 C ATOM 243 NE ARG A 15 -0.545 0.410 9.280 1.00 0.72 N ATOM 244 CZ ARG A 15 -1.199 1.530 9.116 1.00 0.59 C ATOM 245 NH1 ARG A 15 -1.093 2.191 7.992 1.00 0.85 N ATOM 246 NH2 ARG A 15 -1.956 1.993 10.079 1.00 0.98 N ATOM 0 H ARG A 15 -1.595 -4.972 6.139 1.00 0.37 H new ATOM 0 HA ARG A 15 -1.224 -2.017 5.849 1.00 0.35 H new ATOM 0 HB2 ARG A 15 -1.616 -3.215 8.119 1.00 0.42 H new ATOM 0 HB3 ARG A 15 -0.007 -3.880 7.925 1.00 0.42 H new ATOM 0 HG2 ARG A 15 0.751 -1.933 8.870 1.00 0.50 H new ATOM 0 HG3 ARG A 15 0.409 -1.183 7.323 1.00 0.50 H new ATOM 0 HD2 ARG A 15 -1.934 -0.680 8.092 1.00 0.71 H new ATOM 0 HD3 ARG A 15 -1.578 -1.415 9.643 1.00 0.71 H new ATOM 0 HE ARG A 15 0.369 0.415 9.733 1.00 0.72 H new ATOM 0 HH11 ARG A 15 -0.500 1.832 7.243 1.00 0.85 H new ATOM 0 HH12 ARG A 15 -1.603 3.065 7.864 1.00 0.85 H new ATOM 0 HH21 ARG A 15 -2.035 1.480 10.957 1.00 0.98 H new ATOM 0 HH22 ARG A 15 -2.466 2.867 9.951 1.00 0.98 H new ATOM 260 N VAL A 16 1.083 -2.130 4.862 1.00 0.32 N ATOM 261 CA VAL A 16 2.404 -2.238 4.169 1.00 0.36 C ATOM 262 C VAL A 16 3.225 -0.962 4.414 1.00 0.34 C ATOM 263 O VAL A 16 2.735 0.142 4.260 1.00 0.40 O ATOM 264 CB VAL A 16 2.156 -2.445 2.667 1.00 0.41 C ATOM 265 CG1 VAL A 16 1.382 -1.255 2.092 1.00 0.44 C ATOM 266 CG2 VAL A 16 3.491 -2.585 1.929 1.00 0.53 C ATOM 0 H VAL A 16 0.655 -1.205 4.831 1.00 0.32 H new ATOM 0 HA VAL A 16 2.967 -3.085 4.561 1.00 0.36 H new ATOM 0 HB VAL A 16 1.571 -3.355 2.533 1.00 0.41 H new ATOM 0 HG11 VAL A 16 1.212 -1.412 1.027 1.00 0.44 H new ATOM 0 HG12 VAL A 16 0.424 -1.163 2.603 1.00 0.44 H new ATOM 0 HG13 VAL A 16 1.959 -0.342 2.236 1.00 0.44 H new ATOM 0 HG21 VAL A 16 3.305 -2.731 0.865 1.00 0.53 H new ATOM 0 HG22 VAL A 16 4.083 -1.681 2.073 1.00 0.53 H new ATOM 0 HG23 VAL A 16 4.037 -3.442 2.323 1.00 0.53 H new ATOM 276 N LYS A 17 4.473 -1.113 4.799 1.00 0.39 N ATOM 277 CA LYS A 17 5.336 0.082 5.063 1.00 0.39 C ATOM 278 C LYS A 17 6.371 0.245 3.939 1.00 0.39 C ATOM 279 O LYS A 17 6.986 -0.712 3.502 1.00 0.51 O ATOM 280 CB LYS A 17 6.048 -0.077 6.417 1.00 0.51 C ATOM 281 CG LYS A 17 7.024 -1.261 6.373 1.00 0.66 C ATOM 282 CD LYS A 17 6.914 -2.067 7.672 1.00 1.19 C ATOM 283 CE LYS A 17 6.873 -3.564 7.349 1.00 1.66 C ATOM 284 NZ LYS A 17 5.522 -4.107 7.667 1.00 2.54 N ATOM 0 H LYS A 17 4.930 -2.014 4.941 1.00 0.39 H new ATOM 0 HA LYS A 17 4.709 0.973 5.094 1.00 0.39 H new ATOM 0 HB2 LYS A 17 6.587 0.838 6.661 1.00 0.51 H new ATOM 0 HB3 LYS A 17 5.312 -0.233 7.206 1.00 0.51 H new ATOM 0 HG2 LYS A 17 6.800 -1.898 5.518 1.00 0.66 H new ATOM 0 HG3 LYS A 17 8.044 -0.900 6.243 1.00 0.66 H new ATOM 0 HD2 LYS A 17 7.763 -1.848 8.320 1.00 1.19 H new ATOM 0 HD3 LYS A 17 6.015 -1.778 8.216 1.00 1.19 H new ATOM 0 HE2 LYS A 17 7.102 -3.725 6.296 1.00 1.66 H new ATOM 0 HE3 LYS A 17 7.633 -4.092 7.925 1.00 1.66 H new ATOM 0 HZ1 LYS A 17 5.496 -5.123 7.447 1.00 2.54 H new ATOM 0 HZ2 LYS A 17 5.320 -3.966 8.677 1.00 2.54 H new ATOM 0 HZ3 LYS A 17 4.806 -3.611 7.099 1.00 2.54 H new ATOM 298 N CYS A 18 6.563 1.459 3.473 1.00 0.36 N ATOM 299 CA CYS A 18 7.555 1.714 2.379 1.00 0.42 C ATOM 300 C CYS A 18 7.977 3.191 2.399 1.00 0.36 C ATOM 301 O CYS A 18 7.346 4.015 3.033 1.00 0.59 O ATOM 302 CB CYS A 18 6.922 1.381 1.021 1.00 0.54 C ATOM 303 SG CYS A 18 5.422 2.369 0.792 1.00 0.72 S ATOM 0 H CYS A 18 6.071 2.288 3.807 1.00 0.36 H new ATOM 0 HA CYS A 18 8.431 1.085 2.534 1.00 0.42 H new ATOM 0 HB2 CYS A 18 7.630 1.585 0.218 1.00 0.54 H new ATOM 0 HB3 CYS A 18 6.681 0.319 0.971 1.00 0.54 H new ATOM 0 HG CYS A 18 4.672 1.815 -0.114 1.00 0.72 H new ATOM 309 N LEU A 19 9.039 3.532 1.705 1.00 0.42 N ATOM 310 CA LEU A 19 9.501 4.955 1.679 1.00 0.38 C ATOM 311 C LEU A 19 8.785 5.708 0.550 1.00 0.38 C ATOM 312 O LEU A 19 8.482 5.147 -0.489 1.00 0.43 O ATOM 313 CB LEU A 19 11.016 5.000 1.446 1.00 0.41 C ATOM 314 CG LEU A 19 11.720 5.482 2.718 1.00 0.49 C ATOM 315 CD1 LEU A 19 13.011 4.685 2.922 1.00 0.95 C ATOM 316 CD2 LEU A 19 12.057 6.970 2.584 1.00 0.80 C ATOM 0 H LEU A 19 9.605 2.885 1.156 1.00 0.42 H new ATOM 0 HA LEU A 19 9.268 5.427 2.633 1.00 0.38 H new ATOM 0 HB2 LEU A 19 11.381 4.011 1.170 1.00 0.41 H new ATOM 0 HB3 LEU A 19 11.246 5.668 0.616 1.00 0.41 H new ATOM 0 HG LEU A 19 11.062 5.333 3.574 1.00 0.49 H new ATOM 0 HD11 LEU A 19 13.511 5.029 3.827 1.00 0.95 H new ATOM 0 HD12 LEU A 19 12.773 3.626 3.019 1.00 0.95 H new ATOM 0 HD13 LEU A 19 13.669 4.833 2.066 1.00 0.95 H new ATOM 0 HD21 LEU A 19 12.558 7.313 3.489 1.00 0.80 H new ATOM 0 HD22 LEU A 19 12.714 7.118 1.727 1.00 0.80 H new ATOM 0 HD23 LEU A 19 11.139 7.539 2.440 1.00 0.80 H new ATOM 328 N ALA A 20 8.517 6.979 0.750 1.00 0.39 N ATOM 329 CA ALA A 20 7.824 7.792 -0.305 1.00 0.44 C ATOM 330 C ALA A 20 8.701 7.878 -1.566 1.00 0.38 C ATOM 331 O ALA A 20 8.204 8.103 -2.656 1.00 0.39 O ATOM 332 CB ALA A 20 7.563 9.202 0.230 1.00 0.53 C ATOM 0 H ALA A 20 8.749 7.490 1.602 1.00 0.39 H new ATOM 0 HA ALA A 20 6.878 7.314 -0.560 1.00 0.44 H new ATOM 0 HB1 ALA A 20 7.060 9.794 -0.535 1.00 0.53 H new ATOM 0 HB2 ALA A 20 6.932 9.144 1.117 1.00 0.53 H new ATOM 0 HB3 ALA A 20 8.511 9.674 0.489 1.00 0.53 H new ATOM 338 N GLU A 21 9.996 7.688 -1.426 1.00 0.35 N ATOM 339 CA GLU A 21 10.911 7.745 -2.609 1.00 0.34 C ATOM 340 C GLU A 21 10.795 6.445 -3.415 1.00 0.30 C ATOM 341 O GLU A 21 11.128 6.406 -4.585 1.00 0.34 O ATOM 342 CB GLU A 21 12.360 7.930 -2.134 1.00 0.41 C ATOM 343 CG GLU A 21 12.775 6.760 -1.229 1.00 0.45 C ATOM 344 CD GLU A 21 13.752 5.844 -1.975 1.00 0.53 C ATOM 345 OE1 GLU A 21 14.921 6.190 -2.051 1.00 0.79 O ATOM 346 OE2 GLU A 21 13.318 4.808 -2.455 1.00 0.60 O ATOM 0 H GLU A 21 10.457 7.495 -0.537 1.00 0.35 H new ATOM 0 HA GLU A 21 10.629 8.587 -3.241 1.00 0.34 H new ATOM 0 HB2 GLU A 21 13.028 7.989 -2.994 1.00 0.41 H new ATOM 0 HB3 GLU A 21 12.455 8.871 -1.591 1.00 0.41 H new ATOM 0 HG2 GLU A 21 13.241 7.140 -0.320 1.00 0.45 H new ATOM 0 HG3 GLU A 21 11.894 6.195 -0.924 1.00 0.45 H new ATOM 353 N ASP A 22 10.328 5.381 -2.796 1.00 0.30 N ATOM 354 CA ASP A 22 10.191 4.084 -3.523 1.00 0.32 C ATOM 355 C ASP A 22 9.083 4.197 -4.577 1.00 0.30 C ATOM 356 O ASP A 22 8.206 5.038 -4.482 1.00 0.42 O ATOM 357 CB ASP A 22 9.843 2.968 -2.531 1.00 0.39 C ATOM 358 CG ASP A 22 11.130 2.396 -1.929 1.00 0.42 C ATOM 359 OD1 ASP A 22 11.710 1.514 -2.544 1.00 0.59 O ATOM 360 OD2 ASP A 22 11.515 2.849 -0.865 1.00 0.54 O ATOM 0 H ASP A 22 10.037 5.360 -1.819 1.00 0.30 H new ATOM 0 HA ASP A 22 11.135 3.848 -4.014 1.00 0.32 H new ATOM 0 HB2 ASP A 22 9.202 3.357 -1.740 1.00 0.39 H new ATOM 0 HB3 ASP A 22 9.284 2.180 -3.036 1.00 0.39 H new ATOM 365 N SER A 23 9.121 3.358 -5.583 1.00 0.29 N ATOM 366 CA SER A 23 8.078 3.410 -6.656 1.00 0.31 C ATOM 367 C SER A 23 6.951 2.413 -6.352 1.00 0.28 C ATOM 368 O SER A 23 7.017 1.655 -5.399 1.00 0.30 O ATOM 369 CB SER A 23 8.719 3.069 -8.006 1.00 0.38 C ATOM 370 OG SER A 23 9.227 1.740 -7.973 1.00 0.45 O ATOM 0 H SER A 23 9.831 2.637 -5.708 1.00 0.29 H new ATOM 0 HA SER A 23 7.656 4.414 -6.694 1.00 0.31 H new ATOM 0 HB2 SER A 23 7.983 3.168 -8.804 1.00 0.38 H new ATOM 0 HB3 SER A 23 9.524 3.771 -8.225 1.00 0.38 H new ATOM 0 HG SER A 23 9.635 1.524 -8.838 1.00 0.45 H new ATOM 376 N VAL A 24 5.921 2.410 -7.169 1.00 0.29 N ATOM 377 CA VAL A 24 4.780 1.463 -6.954 1.00 0.28 C ATOM 378 C VAL A 24 5.291 0.019 -7.073 1.00 0.27 C ATOM 379 O VAL A 24 4.774 -0.878 -6.434 1.00 0.28 O ATOM 380 CB VAL A 24 3.690 1.723 -8.004 1.00 0.31 C ATOM 381 CG1 VAL A 24 2.519 0.760 -7.790 1.00 0.38 C ATOM 382 CG2 VAL A 24 3.188 3.165 -7.868 1.00 0.36 C ATOM 0 H VAL A 24 5.823 3.025 -7.977 1.00 0.29 H new ATOM 0 HA VAL A 24 4.358 1.615 -5.961 1.00 0.28 H new ATOM 0 HB VAL A 24 4.107 1.568 -8.999 1.00 0.31 H new ATOM 0 HG11 VAL A 24 1.750 0.950 -8.538 1.00 0.38 H new ATOM 0 HG12 VAL A 24 2.871 -0.267 -7.885 1.00 0.38 H new ATOM 0 HG13 VAL A 24 2.102 0.910 -6.794 1.00 0.38 H new ATOM 0 HG21 VAL A 24 2.414 3.353 -8.612 1.00 0.36 H new ATOM 0 HG22 VAL A 24 2.776 3.314 -6.870 1.00 0.36 H new ATOM 0 HG23 VAL A 24 4.017 3.855 -8.025 1.00 0.36 H new ATOM 392 N GLY A 25 6.318 -0.203 -7.871 1.00 0.30 N ATOM 393 CA GLY A 25 6.885 -1.580 -8.015 1.00 0.33 C ATOM 394 C GLY A 25 7.332 -2.082 -6.637 1.00 0.31 C ATOM 395 O GLY A 25 7.058 -3.206 -6.260 1.00 0.34 O ATOM 0 H GLY A 25 6.784 0.514 -8.427 1.00 0.30 H new ATOM 0 HA2 GLY A 25 6.138 -2.253 -8.437 1.00 0.33 H new ATOM 0 HA3 GLY A 25 7.730 -1.569 -8.704 1.00 0.33 H new ATOM 399 N ASP A 26 7.996 -1.237 -5.876 1.00 0.30 N ATOM 400 CA ASP A 26 8.445 -1.634 -4.504 1.00 0.31 C ATOM 401 C ASP A 26 7.209 -1.849 -3.622 1.00 0.28 C ATOM 402 O ASP A 26 7.166 -2.756 -2.811 1.00 0.34 O ATOM 403 CB ASP A 26 9.314 -0.523 -3.900 1.00 0.34 C ATOM 404 CG ASP A 26 10.593 -0.354 -4.726 1.00 0.40 C ATOM 405 OD1 ASP A 26 11.523 -1.114 -4.506 1.00 0.52 O ATOM 406 OD2 ASP A 26 10.623 0.537 -5.561 1.00 0.49 O ATOM 0 H ASP A 26 8.245 -0.287 -6.151 1.00 0.30 H new ATOM 0 HA ASP A 26 9.029 -2.553 -4.561 1.00 0.31 H new ATOM 0 HB2 ASP A 26 8.758 0.414 -3.879 1.00 0.34 H new ATOM 0 HB3 ASP A 26 9.567 -0.767 -2.868 1.00 0.34 H new ATOM 411 N PHE A 27 6.198 -1.021 -3.795 1.00 0.26 N ATOM 412 CA PHE A 27 4.939 -1.159 -2.997 1.00 0.25 C ATOM 413 C PHE A 27 4.352 -2.561 -3.217 1.00 0.25 C ATOM 414 O PHE A 27 3.918 -3.214 -2.284 1.00 0.29 O ATOM 415 CB PHE A 27 3.933 -0.101 -3.472 1.00 0.27 C ATOM 416 CG PHE A 27 2.877 0.133 -2.416 1.00 0.28 C ATOM 417 CD1 PHE A 27 1.859 -0.809 -2.219 1.00 0.33 C ATOM 418 CD2 PHE A 27 2.911 1.298 -1.641 1.00 0.41 C ATOM 419 CE1 PHE A 27 0.877 -0.586 -1.246 1.00 0.43 C ATOM 420 CE2 PHE A 27 1.929 1.522 -0.669 1.00 0.50 C ATOM 421 CZ PHE A 27 0.912 0.580 -0.472 1.00 0.48 C ATOM 0 H PHE A 27 6.196 -0.250 -4.463 1.00 0.26 H new ATOM 0 HA PHE A 27 5.150 -1.018 -1.937 1.00 0.25 H new ATOM 0 HB2 PHE A 27 4.452 0.832 -3.689 1.00 0.27 H new ATOM 0 HB3 PHE A 27 3.463 -0.427 -4.400 1.00 0.27 H new ATOM 0 HD1 PHE A 27 1.832 -1.707 -2.818 1.00 0.33 H new ATOM 0 HD2 PHE A 27 3.695 2.025 -1.793 1.00 0.41 H new ATOM 0 HE1 PHE A 27 0.093 -1.313 -1.093 1.00 0.43 H new ATOM 0 HE2 PHE A 27 1.956 2.421 -0.071 1.00 0.50 H new ATOM 0 HZ PHE A 27 0.154 0.753 0.278 1.00 0.48 H new ATOM 431 N LYS A 28 4.347 -3.024 -4.448 1.00 0.27 N ATOM 432 CA LYS A 28 3.801 -4.383 -4.758 1.00 0.30 C ATOM 433 C LYS A 28 4.732 -5.459 -4.185 1.00 0.30 C ATOM 434 O LYS A 28 4.279 -6.481 -3.702 1.00 0.33 O ATOM 435 CB LYS A 28 3.702 -4.554 -6.277 1.00 0.34 C ATOM 436 CG LYS A 28 2.611 -3.635 -6.828 1.00 0.40 C ATOM 437 CD LYS A 28 2.820 -3.431 -8.331 1.00 0.61 C ATOM 438 CE LYS A 28 1.656 -2.616 -8.902 1.00 0.72 C ATOM 439 NZ LYS A 28 2.056 -2.022 -10.210 1.00 1.06 N ATOM 0 H LYS A 28 4.701 -2.512 -5.256 1.00 0.27 H new ATOM 0 HA LYS A 28 2.813 -4.486 -4.310 1.00 0.30 H new ATOM 0 HB2 LYS A 28 4.659 -4.318 -6.742 1.00 0.34 H new ATOM 0 HB3 LYS A 28 3.475 -5.592 -6.522 1.00 0.34 H new ATOM 0 HG2 LYS A 28 1.628 -4.069 -6.643 1.00 0.40 H new ATOM 0 HG3 LYS A 28 2.637 -2.674 -6.314 1.00 0.40 H new ATOM 0 HD2 LYS A 28 3.763 -2.914 -8.511 1.00 0.61 H new ATOM 0 HD3 LYS A 28 2.884 -4.396 -8.834 1.00 0.61 H new ATOM 0 HE2 LYS A 28 0.782 -3.254 -9.033 1.00 0.72 H new ATOM 0 HE3 LYS A 28 1.374 -1.828 -8.204 1.00 0.72 H new ATOM 0 HZ1 LYS A 28 1.265 -1.469 -10.597 1.00 1.06 H new ATOM 0 HZ2 LYS A 28 2.878 -1.400 -10.072 1.00 1.06 H new ATOM 0 HZ3 LYS A 28 2.304 -2.782 -10.875 1.00 1.06 H new ATOM 453 N LYS A 29 6.027 -5.233 -4.237 1.00 0.32 N ATOM 454 CA LYS A 29 7.001 -6.234 -3.697 1.00 0.36 C ATOM 455 C LYS A 29 6.760 -6.428 -2.194 1.00 0.35 C ATOM 456 O LYS A 29 6.696 -7.545 -1.712 1.00 0.41 O ATOM 457 CB LYS A 29 8.430 -5.735 -3.923 1.00 0.41 C ATOM 458 CG LYS A 29 8.814 -5.920 -5.393 1.00 0.46 C ATOM 459 CD LYS A 29 10.223 -5.369 -5.625 1.00 0.62 C ATOM 460 CE LYS A 29 10.262 -4.593 -6.946 1.00 0.83 C ATOM 461 NZ LYS A 29 11.109 -3.376 -6.787 1.00 1.37 N ATOM 0 H LYS A 29 6.450 -4.394 -4.633 1.00 0.32 H new ATOM 0 HA LYS A 29 6.863 -7.184 -4.213 1.00 0.36 H new ATOM 0 HB2 LYS A 29 8.506 -4.683 -3.647 1.00 0.41 H new ATOM 0 HB3 LYS A 29 9.122 -6.283 -3.284 1.00 0.41 H new ATOM 0 HG2 LYS A 29 8.776 -6.976 -5.660 1.00 0.46 H new ATOM 0 HG3 LYS A 29 8.100 -5.404 -6.034 1.00 0.46 H new ATOM 0 HD2 LYS A 29 10.509 -4.717 -4.800 1.00 0.62 H new ATOM 0 HD3 LYS A 29 10.944 -6.186 -5.650 1.00 0.62 H new ATOM 0 HE2 LYS A 29 10.661 -5.225 -7.739 1.00 0.83 H new ATOM 0 HE3 LYS A 29 9.252 -4.309 -7.243 1.00 0.83 H new ATOM 0 HZ1 LYS A 29 10.911 -2.712 -7.562 1.00 1.37 H new ATOM 0 HZ2 LYS A 29 10.894 -2.920 -5.877 1.00 1.37 H new ATOM 0 HZ3 LYS A 29 12.113 -3.646 -6.811 1.00 1.37 H new ATOM 475 N VAL A 30 6.615 -5.348 -1.455 1.00 0.33 N ATOM 476 CA VAL A 30 6.366 -5.466 0.017 1.00 0.34 C ATOM 477 C VAL A 30 4.982 -6.091 0.241 1.00 0.31 C ATOM 478 O VAL A 30 4.795 -6.885 1.144 1.00 0.34 O ATOM 479 CB VAL A 30 6.415 -4.077 0.674 1.00 0.38 C ATOM 480 CG1 VAL A 30 6.383 -4.230 2.198 1.00 0.42 C ATOM 481 CG2 VAL A 30 7.707 -3.355 0.269 1.00 0.45 C ATOM 0 H VAL A 30 6.659 -4.393 -1.810 1.00 0.33 H new ATOM 0 HA VAL A 30 7.135 -6.095 0.465 1.00 0.34 H new ATOM 0 HB VAL A 30 5.554 -3.496 0.343 1.00 0.38 H new ATOM 0 HG11 VAL A 30 6.418 -3.245 2.663 1.00 0.42 H new ATOM 0 HG12 VAL A 30 5.465 -4.739 2.493 1.00 0.42 H new ATOM 0 HG13 VAL A 30 7.243 -4.815 2.523 1.00 0.42 H new ATOM 0 HG21 VAL A 30 7.736 -2.371 0.737 1.00 0.45 H new ATOM 0 HG22 VAL A 30 8.568 -3.938 0.596 1.00 0.45 H new ATOM 0 HG23 VAL A 30 7.736 -3.242 -0.815 1.00 0.45 H new ATOM 491 N LEU A 31 4.019 -5.744 -0.587 1.00 0.31 N ATOM 492 CA LEU A 31 2.641 -6.317 -0.448 1.00 0.30 C ATOM 493 C LEU A 31 2.703 -7.844 -0.575 1.00 0.30 C ATOM 494 O LEU A 31 2.050 -8.561 0.160 1.00 0.32 O ATOM 495 CB LEU A 31 1.743 -5.757 -1.558 1.00 0.32 C ATOM 496 CG LEU A 31 0.436 -5.224 -0.966 1.00 0.41 C ATOM 497 CD1 LEU A 31 -0.273 -6.331 -0.182 1.00 0.56 C ATOM 498 CD2 LEU A 31 0.735 -4.045 -0.034 1.00 0.53 C ATOM 0 H LEU A 31 4.132 -5.084 -1.357 1.00 0.31 H new ATOM 0 HA LEU A 31 2.235 -6.048 0.527 1.00 0.30 H new ATOM 0 HB2 LEU A 31 2.263 -4.958 -2.087 1.00 0.32 H new ATOM 0 HB3 LEU A 31 1.528 -6.536 -2.289 1.00 0.32 H new ATOM 0 HG LEU A 31 -0.211 -4.890 -1.777 1.00 0.41 H new ATOM 0 HD11 LEU A 31 -1.202 -5.943 0.236 1.00 0.56 H new ATOM 0 HD12 LEU A 31 -0.495 -7.164 -0.849 1.00 0.56 H new ATOM 0 HD13 LEU A 31 0.372 -6.675 0.626 1.00 0.56 H new ATOM 0 HD21 LEU A 31 -0.197 -3.668 0.386 1.00 0.53 H new ATOM 0 HD22 LEU A 31 1.389 -4.376 0.773 1.00 0.53 H new ATOM 0 HD23 LEU A 31 1.227 -3.252 -0.597 1.00 0.53 H new ATOM 510 N SER A 32 3.486 -8.335 -1.509 1.00 0.33 N ATOM 511 CA SER A 32 3.612 -9.813 -1.715 1.00 0.36 C ATOM 512 C SER A 32 4.080 -10.502 -0.422 1.00 0.38 C ATOM 513 O SER A 32 3.741 -11.641 -0.168 1.00 0.42 O ATOM 514 CB SER A 32 4.627 -10.083 -2.827 1.00 0.41 C ATOM 515 OG SER A 32 4.520 -11.439 -3.245 1.00 0.41 O ATOM 0 H SER A 32 4.048 -7.767 -2.143 1.00 0.33 H new ATOM 0 HA SER A 32 2.637 -10.213 -1.992 1.00 0.36 H new ATOM 0 HB2 SER A 32 4.446 -9.416 -3.670 1.00 0.41 H new ATOM 0 HB3 SER A 32 5.637 -9.879 -2.470 1.00 0.41 H new ATOM 0 HG SER A 32 5.343 -11.705 -3.705 1.00 0.41 H new ATOM 521 N LEU A 33 4.853 -9.825 0.395 1.00 0.40 N ATOM 522 CA LEU A 33 5.332 -10.449 1.668 1.00 0.46 C ATOM 523 C LEU A 33 4.144 -10.655 2.622 1.00 0.47 C ATOM 524 O LEU A 33 4.126 -11.589 3.403 1.00 0.57 O ATOM 525 CB LEU A 33 6.368 -9.535 2.330 1.00 0.53 C ATOM 526 CG LEU A 33 7.734 -9.747 1.670 1.00 0.65 C ATOM 527 CD1 LEU A 33 8.358 -8.390 1.337 1.00 0.83 C ATOM 528 CD2 LEU A 33 8.649 -10.510 2.632 1.00 1.16 C ATOM 0 H LEU A 33 5.172 -8.869 0.235 1.00 0.40 H new ATOM 0 HA LEU A 33 5.789 -11.414 1.447 1.00 0.46 H new ATOM 0 HB2 LEU A 33 6.064 -8.493 2.233 1.00 0.53 H new ATOM 0 HB3 LEU A 33 6.430 -9.751 3.397 1.00 0.53 H new ATOM 0 HG LEU A 33 7.610 -10.322 0.752 1.00 0.65 H new ATOM 0 HD11 LEU A 33 9.330 -8.542 0.867 1.00 0.83 H new ATOM 0 HD12 LEU A 33 7.705 -7.847 0.653 1.00 0.83 H new ATOM 0 HD13 LEU A 33 8.484 -7.813 2.253 1.00 0.83 H new ATOM 0 HD21 LEU A 33 9.622 -10.662 2.165 1.00 1.16 H new ATOM 0 HD22 LEU A 33 8.773 -9.935 3.549 1.00 1.16 H new ATOM 0 HD23 LEU A 33 8.204 -11.477 2.867 1.00 1.16 H new ATOM 540 N GLN A 34 3.160 -9.784 2.565 1.00 0.42 N ATOM 541 CA GLN A 34 1.972 -9.911 3.467 1.00 0.47 C ATOM 542 C GLN A 34 0.951 -10.908 2.893 1.00 0.48 C ATOM 543 O GLN A 34 0.392 -11.707 3.623 1.00 0.63 O ATOM 544 CB GLN A 34 1.305 -8.540 3.622 1.00 0.45 C ATOM 545 CG GLN A 34 2.117 -7.679 4.594 1.00 0.50 C ATOM 546 CD GLN A 34 3.054 -6.758 3.805 1.00 0.48 C ATOM 547 OE1 GLN A 34 4.258 -6.856 3.924 1.00 0.60 O ATOM 548 NE2 GLN A 34 2.548 -5.861 3.001 1.00 0.49 N ATOM 0 H GLN A 34 3.131 -8.988 1.928 1.00 0.42 H new ATOM 0 HA GLN A 34 2.310 -10.278 4.436 1.00 0.47 H new ATOM 0 HB2 GLN A 34 1.237 -8.046 2.653 1.00 0.45 H new ATOM 0 HB3 GLN A 34 0.286 -8.660 3.991 1.00 0.45 H new ATOM 0 HG2 GLN A 34 1.447 -7.086 5.217 1.00 0.50 H new ATOM 0 HG3 GLN A 34 2.695 -8.316 5.264 1.00 0.50 H new ATOM 0 HE21 GLN A 34 1.536 -5.779 2.901 1.00 0.49 H new ATOM 0 HE22 GLN A 34 3.165 -5.243 2.473 1.00 0.49 H new ATOM 557 N ILE A 35 0.682 -10.854 1.604 1.00 0.44 N ATOM 558 CA ILE A 35 -0.332 -11.789 1.008 1.00 0.53 C ATOM 559 C ILE A 35 0.335 -12.798 0.056 1.00 0.49 C ATOM 560 O ILE A 35 0.050 -13.981 0.114 1.00 0.58 O ATOM 561 CB ILE A 35 -1.407 -10.980 0.261 1.00 0.57 C ATOM 562 CG1 ILE A 35 -0.770 -10.128 -0.848 1.00 0.52 C ATOM 563 CG2 ILE A 35 -2.119 -10.059 1.254 1.00 0.62 C ATOM 564 CD1 ILE A 35 -1.853 -9.306 -1.556 1.00 0.65 C ATOM 0 H ILE A 35 1.117 -10.208 0.945 1.00 0.44 H new ATOM 0 HA ILE A 35 -0.800 -12.352 1.816 1.00 0.53 H new ATOM 0 HB ILE A 35 -2.117 -11.672 -0.192 1.00 0.57 H new ATOM 0 HG12 ILE A 35 -0.017 -9.465 -0.423 1.00 0.52 H new ATOM 0 HG13 ILE A 35 -0.260 -10.771 -1.566 1.00 0.52 H new ATOM 0 HG21 ILE A 35 -2.883 -9.482 0.732 1.00 0.62 H new ATOM 0 HG22 ILE A 35 -2.587 -10.658 2.035 1.00 0.62 H new ATOM 0 HG23 ILE A 35 -1.395 -9.379 1.704 1.00 0.62 H new ATOM 0 HD11 ILE A 35 -1.397 -8.703 -2.342 1.00 0.65 H new ATOM 0 HD12 ILE A 35 -2.590 -9.978 -1.996 1.00 0.65 H new ATOM 0 HD13 ILE A 35 -2.343 -8.652 -0.835 1.00 0.65 H new ATOM 576 N GLY A 36 1.212 -12.350 -0.814 1.00 0.42 N ATOM 577 CA GLY A 36 1.889 -13.293 -1.761 1.00 0.43 C ATOM 578 C GLY A 36 1.273 -13.163 -3.157 1.00 0.44 C ATOM 579 O GLY A 36 0.820 -14.135 -3.734 1.00 0.55 O ATOM 0 H GLY A 36 1.487 -11.372 -0.908 1.00 0.42 H new ATOM 0 HA2 GLY A 36 2.956 -13.075 -1.803 1.00 0.43 H new ATOM 0 HA3 GLY A 36 1.787 -14.317 -1.403 1.00 0.43 H new ATOM 583 N THR A 37 1.258 -11.970 -3.702 1.00 0.44 N ATOM 584 CA THR A 37 0.676 -11.759 -5.069 1.00 0.50 C ATOM 585 C THR A 37 1.796 -11.425 -6.071 1.00 0.52 C ATOM 586 O THR A 37 1.622 -11.585 -7.266 1.00 0.57 O ATOM 587 CB THR A 37 -0.349 -10.611 -5.042 1.00 0.50 C ATOM 588 OG1 THR A 37 -0.245 -9.884 -3.824 1.00 0.51 O ATOM 589 CG2 THR A 37 -1.761 -11.185 -5.169 1.00 0.59 C ATOM 0 H THR A 37 1.625 -11.128 -3.258 1.00 0.44 H new ATOM 0 HA THR A 37 0.175 -12.676 -5.379 1.00 0.50 H new ATOM 0 HB THR A 37 -0.146 -9.938 -5.875 1.00 0.50 H new ATOM 0 HG1 THR A 37 0.671 -9.551 -3.719 1.00 0.51 H new ATOM 0 HG21 THR A 37 -2.487 -10.372 -5.150 1.00 0.59 H new ATOM 0 HG22 THR A 37 -1.849 -11.729 -6.110 1.00 0.59 H new ATOM 0 HG23 THR A 37 -1.954 -11.864 -4.338 1.00 0.59 H new ATOM 597 N GLN A 38 2.939 -10.970 -5.588 1.00 0.60 N ATOM 598 CA GLN A 38 4.093 -10.625 -6.489 1.00 0.69 C ATOM 599 C GLN A 38 3.788 -9.353 -7.295 1.00 0.63 C ATOM 600 O GLN A 38 2.638 -9.021 -7.516 1.00 0.56 O ATOM 601 CB GLN A 38 4.378 -11.780 -7.462 1.00 0.78 C ATOM 602 CG GLN A 38 4.565 -13.086 -6.684 1.00 0.93 C ATOM 603 CD GLN A 38 6.058 -13.335 -6.458 1.00 1.25 C ATOM 604 OE1 GLN A 38 6.592 -12.990 -5.422 1.00 1.56 O ATOM 605 NE2 GLN A 38 6.758 -13.921 -7.391 1.00 1.64 N ATOM 0 H GLN A 38 3.120 -10.822 -4.595 1.00 0.60 H new ATOM 0 HA GLN A 38 4.968 -10.453 -5.862 1.00 0.69 H new ATOM 0 HB2 GLN A 38 3.554 -11.883 -8.169 1.00 0.78 H new ATOM 0 HB3 GLN A 38 5.273 -11.563 -8.045 1.00 0.78 H new ATOM 0 HG2 GLN A 38 4.046 -13.030 -5.727 1.00 0.93 H new ATOM 0 HG3 GLN A 38 4.126 -13.917 -7.236 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.309 -14.210 -8.260 1.00 1.64 H new ATOM 0 HE22 GLN A 38 7.754 -14.090 -7.251 1.00 1.64 H new ATOM 614 N PRO A 39 4.840 -8.685 -7.724 1.00 0.73 N ATOM 615 CA PRO A 39 4.730 -7.450 -8.524 1.00 0.75 C ATOM 616 C PRO A 39 4.332 -7.797 -9.969 1.00 0.71 C ATOM 617 O PRO A 39 5.109 -7.659 -10.899 1.00 0.86 O ATOM 618 CB PRO A 39 6.134 -6.839 -8.442 1.00 0.91 C ATOM 619 CG PRO A 39 7.095 -7.996 -8.085 1.00 0.97 C ATOM 620 CD PRO A 39 6.234 -9.103 -7.448 1.00 0.87 C ATOM 0 HA PRO A 39 3.968 -6.758 -8.166 1.00 0.75 H new ATOM 0 HB2 PRO A 39 6.414 -6.381 -9.391 1.00 0.91 H new ATOM 0 HB3 PRO A 39 6.173 -6.055 -7.686 1.00 0.91 H new ATOM 0 HG2 PRO A 39 7.604 -8.365 -8.975 1.00 0.97 H new ATOM 0 HG3 PRO A 39 7.867 -7.659 -7.393 1.00 0.97 H new ATOM 0 HD2 PRO A 39 6.451 -10.077 -7.885 1.00 0.87 H new ATOM 0 HD3 PRO A 39 6.420 -9.185 -6.377 1.00 0.87 H new ATOM 628 N ASN A 40 3.112 -8.250 -10.145 1.00 0.61 N ATOM 629 CA ASN A 40 2.612 -8.622 -11.506 1.00 0.63 C ATOM 630 C ASN A 40 1.081 -8.742 -11.465 1.00 0.56 C ATOM 631 O ASN A 40 0.392 -8.215 -12.320 1.00 0.63 O ATOM 632 CB ASN A 40 3.222 -9.961 -11.939 1.00 0.71 C ATOM 633 CG ASN A 40 3.736 -9.852 -13.378 1.00 1.15 C ATOM 634 OD1 ASN A 40 4.883 -9.518 -13.601 1.00 1.67 O ATOM 635 ND2 ASN A 40 2.929 -10.121 -14.371 1.00 1.60 N ATOM 0 H ASN A 40 2.435 -8.379 -9.393 1.00 0.61 H new ATOM 0 HA ASN A 40 2.902 -7.853 -12.222 1.00 0.63 H new ATOM 0 HB2 ASN A 40 4.039 -10.233 -11.270 1.00 0.71 H new ATOM 0 HB3 ASN A 40 2.475 -10.752 -11.868 1.00 0.71 H new ATOM 0 HD21 ASN A 40 3.262 -10.051 -15.332 1.00 1.60 H new ATOM 0 HD22 ASN A 40 1.966 -10.401 -14.184 1.00 1.60 H new ATOM 642 N LYS A 41 0.545 -9.422 -10.471 1.00 0.48 N ATOM 643 CA LYS A 41 -0.942 -9.567 -10.363 1.00 0.48 C ATOM 644 C LYS A 41 -1.501 -8.560 -9.338 1.00 0.42 C ATOM 645 O LYS A 41 -2.656 -8.640 -8.957 1.00 0.45 O ATOM 646 CB LYS A 41 -1.287 -10.991 -9.909 1.00 0.56 C ATOM 647 CG LYS A 41 -2.573 -11.459 -10.602 1.00 0.75 C ATOM 648 CD LYS A 41 -3.580 -11.953 -9.555 1.00 1.00 C ATOM 649 CE LYS A 41 -3.966 -13.404 -9.860 1.00 1.41 C ATOM 650 NZ LYS A 41 -5.329 -13.690 -9.323 1.00 1.83 N ATOM 0 H LYS A 41 1.077 -9.881 -9.732 1.00 0.48 H new ATOM 0 HA LYS A 41 -1.387 -9.371 -11.339 1.00 0.48 H new ATOM 0 HB2 LYS A 41 -0.467 -11.668 -10.148 1.00 0.56 H new ATOM 0 HB3 LYS A 41 -1.416 -11.017 -8.827 1.00 0.56 H new ATOM 0 HG2 LYS A 41 -3.005 -10.640 -11.177 1.00 0.75 H new ATOM 0 HG3 LYS A 41 -2.346 -12.259 -11.307 1.00 0.75 H new ATOM 0 HD2 LYS A 41 -3.147 -11.883 -8.557 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -4.468 -11.320 -9.562 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -3.946 -13.576 -10.936 1.00 1.41 H new ATOM 0 HE3 LYS A 41 -3.240 -14.084 -9.415 1.00 1.41 H new ATOM 0 HZ1 LYS A 41 -5.585 -14.676 -9.533 1.00 1.83 H new ATOM 0 HZ2 LYS A 41 -5.334 -13.543 -8.293 1.00 1.83 H new ATOM 0 HZ3 LYS A 41 -6.018 -13.051 -9.768 1.00 1.83 H new ATOM 664 N ILE A 42 -0.696 -7.616 -8.885 1.00 0.40 N ATOM 665 CA ILE A 42 -1.191 -6.617 -7.886 1.00 0.39 C ATOM 666 C ILE A 42 -1.582 -5.318 -8.598 1.00 0.40 C ATOM 667 O ILE A 42 -0.844 -4.798 -9.418 1.00 0.52 O ATOM 668 CB ILE A 42 -0.090 -6.315 -6.859 1.00 0.41 C ATOM 669 CG1 ILE A 42 0.309 -7.607 -6.140 1.00 0.41 C ATOM 670 CG2 ILE A 42 -0.609 -5.301 -5.832 1.00 0.48 C ATOM 671 CD1 ILE A 42 1.556 -7.355 -5.288 1.00 0.48 C ATOM 0 H ILE A 42 0.277 -7.500 -9.166 1.00 0.40 H new ATOM 0 HA ILE A 42 -2.061 -7.031 -7.377 1.00 0.39 H new ATOM 0 HB ILE A 42 0.778 -5.901 -7.372 1.00 0.41 H new ATOM 0 HG12 ILE A 42 -0.511 -7.953 -5.510 1.00 0.41 H new ATOM 0 HG13 ILE A 42 0.506 -8.394 -6.868 1.00 0.41 H new ATOM 0 HG21 ILE A 42 0.174 -5.088 -5.104 1.00 0.48 H new ATOM 0 HG22 ILE A 42 -0.892 -4.380 -6.341 1.00 0.48 H new ATOM 0 HG23 ILE A 42 -1.478 -5.714 -5.320 1.00 0.48 H new ATOM 0 HD11 ILE A 42 1.839 -8.275 -4.777 1.00 0.48 H new ATOM 0 HD12 ILE A 42 2.375 -7.029 -5.929 1.00 0.48 H new ATOM 0 HD13 ILE A 42 1.343 -6.581 -4.551 1.00 0.48 H new ATOM 683 N VAL A 43 -2.737 -4.790 -8.275 1.00 0.36 N ATOM 684 CA VAL A 43 -3.204 -3.517 -8.900 1.00 0.38 C ATOM 685 C VAL A 43 -3.472 -2.505 -7.780 1.00 0.35 C ATOM 686 O VAL A 43 -4.422 -2.635 -7.028 1.00 0.44 O ATOM 687 CB VAL A 43 -4.493 -3.777 -9.695 1.00 0.44 C ATOM 688 CG1 VAL A 43 -4.952 -2.483 -10.375 1.00 0.52 C ATOM 689 CG2 VAL A 43 -4.232 -4.847 -10.760 1.00 0.58 C ATOM 0 H VAL A 43 -3.383 -5.193 -7.596 1.00 0.36 H new ATOM 0 HA VAL A 43 -2.448 -3.127 -9.581 1.00 0.38 H new ATOM 0 HB VAL A 43 -5.271 -4.123 -9.014 1.00 0.44 H new ATOM 0 HG11 VAL A 43 -5.866 -2.672 -10.938 1.00 0.52 H new ATOM 0 HG12 VAL A 43 -5.142 -1.722 -9.618 1.00 0.52 H new ATOM 0 HG13 VAL A 43 -4.174 -2.133 -11.054 1.00 0.52 H new ATOM 0 HG21 VAL A 43 -5.147 -5.031 -11.323 1.00 0.58 H new ATOM 0 HG22 VAL A 43 -3.451 -4.502 -11.438 1.00 0.58 H new ATOM 0 HG23 VAL A 43 -3.912 -5.770 -10.277 1.00 0.58 H new ATOM 699 N LEU A 44 -2.629 -1.506 -7.650 1.00 0.32 N ATOM 700 CA LEU A 44 -2.818 -0.494 -6.562 1.00 0.33 C ATOM 701 C LEU A 44 -3.514 0.753 -7.119 1.00 0.33 C ATOM 702 O LEU A 44 -3.169 1.241 -8.181 1.00 0.38 O ATOM 703 CB LEU A 44 -1.451 -0.099 -5.987 1.00 0.38 C ATOM 704 CG LEU A 44 -0.803 -1.313 -5.312 1.00 0.43 C ATOM 705 CD1 LEU A 44 0.712 -1.115 -5.255 1.00 0.50 C ATOM 706 CD2 LEU A 44 -1.351 -1.463 -3.889 1.00 0.50 C ATOM 0 H LEU A 44 -1.819 -1.349 -8.250 1.00 0.32 H new ATOM 0 HA LEU A 44 -3.436 -0.928 -5.776 1.00 0.33 H new ATOM 0 HB2 LEU A 44 -0.806 0.274 -6.782 1.00 0.38 H new ATOM 0 HB3 LEU A 44 -1.569 0.710 -5.266 1.00 0.38 H new ATOM 0 HG LEU A 44 -1.033 -2.211 -5.885 1.00 0.43 H new ATOM 0 HD11 LEU A 44 1.174 -1.978 -4.775 1.00 0.50 H new ATOM 0 HD12 LEU A 44 1.104 -1.010 -6.267 1.00 0.50 H new ATOM 0 HD13 LEU A 44 0.940 -0.216 -4.682 1.00 0.50 H new ATOM 0 HD21 LEU A 44 -0.889 -2.327 -3.410 1.00 0.50 H new ATOM 0 HD22 LEU A 44 -1.123 -0.565 -3.315 1.00 0.50 H new ATOM 0 HD23 LEU A 44 -2.431 -1.604 -3.928 1.00 0.50 H new ATOM 718 N GLN A 45 -4.489 1.273 -6.403 1.00 0.32 N ATOM 719 CA GLN A 45 -5.214 2.499 -6.874 1.00 0.34 C ATOM 720 C GLN A 45 -5.161 3.577 -5.781 1.00 0.34 C ATOM 721 O GLN A 45 -5.227 3.278 -4.600 1.00 0.41 O ATOM 722 CB GLN A 45 -6.686 2.173 -7.190 1.00 0.40 C ATOM 723 CG GLN A 45 -6.805 0.789 -7.841 1.00 0.46 C ATOM 724 CD GLN A 45 -7.697 0.873 -9.085 1.00 0.82 C ATOM 725 OE1 GLN A 45 -7.205 0.906 -10.195 1.00 1.20 O ATOM 726 NE2 GLN A 45 -8.996 0.906 -8.948 1.00 1.25 N ATOM 0 H GLN A 45 -4.813 0.899 -5.511 1.00 0.32 H new ATOM 0 HA GLN A 45 -4.730 2.861 -7.781 1.00 0.34 H new ATOM 0 HB2 GLN A 45 -7.275 2.202 -6.273 1.00 0.40 H new ATOM 0 HB3 GLN A 45 -7.097 2.931 -7.857 1.00 0.40 H new ATOM 0 HG2 GLN A 45 -5.817 0.420 -8.116 1.00 0.46 H new ATOM 0 HG3 GLN A 45 -7.224 0.078 -7.130 1.00 0.46 H new ATOM 0 HE21 GLN A 45 -9.411 0.878 -8.017 1.00 1.25 H new ATOM 0 HE22 GLN A 45 -9.595 0.959 -9.772 1.00 1.25 H new ATOM 735 N LYS A 46 -5.045 4.829 -6.167 1.00 0.40 N ATOM 736 CA LYS A 46 -4.988 5.935 -5.159 1.00 0.45 C ATOM 737 C LYS A 46 -6.085 6.969 -5.462 1.00 0.54 C ATOM 738 O LYS A 46 -5.856 7.962 -6.131 1.00 0.78 O ATOM 739 CB LYS A 46 -3.604 6.601 -5.205 1.00 0.52 C ATOM 740 CG LYS A 46 -3.060 6.750 -3.783 1.00 0.78 C ATOM 741 CD LYS A 46 -2.863 8.233 -3.449 1.00 0.95 C ATOM 742 CE LYS A 46 -2.971 8.431 -1.933 1.00 0.93 C ATOM 743 NZ LYS A 46 -1.936 7.606 -1.243 1.00 1.19 N ATOM 0 H LYS A 46 -4.987 5.131 -7.140 1.00 0.40 H new ATOM 0 HA LYS A 46 -5.153 5.528 -4.161 1.00 0.45 H new ATOM 0 HB2 LYS A 46 -2.920 6.001 -5.806 1.00 0.52 H new ATOM 0 HB3 LYS A 46 -3.675 7.578 -5.683 1.00 0.52 H new ATOM 0 HG2 LYS A 46 -3.751 6.297 -3.071 1.00 0.78 H new ATOM 0 HG3 LYS A 46 -2.113 6.219 -3.690 1.00 0.78 H new ATOM 0 HD2 LYS A 46 -1.889 8.571 -3.803 1.00 0.95 H new ATOM 0 HD3 LYS A 46 -3.614 8.835 -3.960 1.00 0.95 H new ATOM 0 HE2 LYS A 46 -2.837 9.484 -1.684 1.00 0.93 H new ATOM 0 HE3 LYS A 46 -3.965 8.146 -1.589 1.00 0.93 H new ATOM 0 HZ1 LYS A 46 -1.990 7.768 -0.217 1.00 1.19 H new ATOM 0 HZ2 LYS A 46 -2.104 6.599 -1.443 1.00 1.19 H new ATOM 0 HZ3 LYS A 46 -0.992 7.874 -1.587 1.00 1.19 H new ATOM 757 N GLY A 47 -7.278 6.739 -4.964 1.00 0.69 N ATOM 758 CA GLY A 47 -8.405 7.695 -5.199 1.00 0.89 C ATOM 759 C GLY A 47 -8.884 7.616 -6.654 1.00 0.83 C ATOM 760 O GLY A 47 -8.995 8.624 -7.329 1.00 1.01 O ATOM 0 H GLY A 47 -7.519 5.923 -4.401 1.00 0.69 H new ATOM 0 HA2 GLY A 47 -9.231 7.465 -4.525 1.00 0.89 H new ATOM 0 HA3 GLY A 47 -8.081 8.711 -4.971 1.00 0.89 H new ATOM 764 N GLY A 48 -9.176 6.430 -7.136 1.00 0.76 N ATOM 765 CA GLY A 48 -9.662 6.276 -8.544 1.00 0.81 C ATOM 766 C GLY A 48 -8.521 6.538 -9.534 1.00 0.72 C ATOM 767 O GLY A 48 -8.700 7.217 -10.528 1.00 0.99 O ATOM 0 H GLY A 48 -9.098 5.559 -6.611 1.00 0.76 H new ATOM 0 HA2 GLY A 48 -10.057 5.271 -8.692 1.00 0.81 H new ATOM 0 HA3 GLY A 48 -10.481 6.970 -8.731 1.00 0.81 H new ATOM 771 N SER A 49 -7.353 5.999 -9.268 1.00 0.55 N ATOM 772 CA SER A 49 -6.193 6.204 -10.190 1.00 0.52 C ATOM 773 C SER A 49 -5.313 4.947 -10.185 1.00 0.45 C ATOM 774 O SER A 49 -4.982 4.419 -9.140 1.00 0.55 O ATOM 775 CB SER A 49 -5.377 7.418 -9.729 1.00 0.58 C ATOM 776 OG SER A 49 -4.815 7.160 -8.448 1.00 0.67 O ATOM 0 H SER A 49 -7.155 5.424 -8.449 1.00 0.55 H new ATOM 0 HA SER A 49 -6.556 6.385 -11.202 1.00 0.52 H new ATOM 0 HB2 SER A 49 -4.586 7.630 -10.448 1.00 0.58 H new ATOM 0 HB3 SER A 49 -6.014 8.301 -9.686 1.00 0.58 H new ATOM 0 HG SER A 49 -5.287 7.688 -7.771 1.00 0.67 H new ATOM 782 N VAL A 50 -4.936 4.465 -11.347 1.00 0.42 N ATOM 783 CA VAL A 50 -4.083 3.235 -11.417 1.00 0.42 C ATOM 784 C VAL A 50 -2.626 3.606 -11.115 1.00 0.38 C ATOM 785 O VAL A 50 -2.039 4.449 -11.771 1.00 0.46 O ATOM 786 CB VAL A 50 -4.181 2.618 -12.820 1.00 0.55 C ATOM 787 CG1 VAL A 50 -3.360 1.324 -12.875 1.00 0.69 C ATOM 788 CG2 VAL A 50 -5.645 2.303 -13.145 1.00 0.68 C ATOM 0 H VAL A 50 -5.182 4.871 -12.250 1.00 0.42 H new ATOM 0 HA VAL A 50 -4.431 2.509 -10.682 1.00 0.42 H new ATOM 0 HB VAL A 50 -3.791 3.328 -13.549 1.00 0.55 H new ATOM 0 HG11 VAL A 50 -3.432 0.889 -13.872 1.00 0.69 H new ATOM 0 HG12 VAL A 50 -2.317 1.545 -12.650 1.00 0.69 H new ATOM 0 HG13 VAL A 50 -3.747 0.616 -12.142 1.00 0.69 H new ATOM 0 HG21 VAL A 50 -5.711 1.865 -14.141 1.00 0.68 H new ATOM 0 HG22 VAL A 50 -6.037 1.597 -12.412 1.00 0.68 H new ATOM 0 HG23 VAL A 50 -6.231 3.222 -13.113 1.00 0.68 H new ATOM 798 N LEU A 51 -2.044 2.973 -10.123 1.00 0.36 N ATOM 799 CA LEU A 51 -0.624 3.266 -9.755 1.00 0.35 C ATOM 800 C LEU A 51 0.304 2.348 -10.557 1.00 0.35 C ATOM 801 O LEU A 51 0.147 1.138 -10.553 1.00 0.52 O ATOM 802 CB LEU A 51 -0.415 3.024 -8.253 1.00 0.39 C ATOM 803 CG LEU A 51 -1.492 3.755 -7.438 1.00 0.39 C ATOM 804 CD1 LEU A 51 -1.217 3.567 -5.944 1.00 0.48 C ATOM 805 CD2 LEU A 51 -1.474 5.249 -7.773 1.00 0.39 C ATOM 0 H LEU A 51 -2.497 2.261 -9.550 1.00 0.36 H new ATOM 0 HA LEU A 51 -0.397 4.307 -9.983 1.00 0.35 H new ATOM 0 HB2 LEU A 51 -0.453 1.955 -8.042 1.00 0.39 H new ATOM 0 HB3 LEU A 51 0.574 3.373 -7.956 1.00 0.39 H new ATOM 0 HG LEU A 51 -2.470 3.342 -7.686 1.00 0.39 H new ATOM 0 HD11 LEU A 51 -1.981 4.086 -5.365 1.00 0.48 H new ATOM 0 HD12 LEU A 51 -1.237 2.505 -5.701 1.00 0.48 H new ATOM 0 HD13 LEU A 51 -0.237 3.977 -5.700 1.00 0.48 H new ATOM 0 HD21 LEU A 51 -2.240 5.762 -7.191 1.00 0.39 H new ATOM 0 HD22 LEU A 51 -0.496 5.665 -7.530 1.00 0.39 H new ATOM 0 HD23 LEU A 51 -1.673 5.386 -8.836 1.00 0.39 H new ATOM 817 N LYS A 52 1.262 2.915 -11.251 1.00 0.35 N ATOM 818 CA LYS A 52 2.200 2.085 -12.068 1.00 0.40 C ATOM 819 C LYS A 52 3.588 2.059 -11.421 1.00 0.36 C ATOM 820 O LYS A 52 4.027 3.026 -10.823 1.00 0.36 O ATOM 821 CB LYS A 52 2.306 2.675 -13.477 1.00 0.48 C ATOM 822 CG LYS A 52 1.520 1.801 -14.457 1.00 0.73 C ATOM 823 CD LYS A 52 2.476 0.836 -15.165 1.00 0.96 C ATOM 824 CE LYS A 52 1.775 -0.506 -15.395 1.00 1.50 C ATOM 825 NZ LYS A 52 2.788 -1.598 -15.464 1.00 2.26 N ATOM 0 H LYS A 52 1.434 3.920 -11.286 1.00 0.35 H new ATOM 0 HA LYS A 52 1.816 1.066 -12.122 1.00 0.40 H new ATOM 0 HB2 LYS A 52 1.915 3.693 -13.487 1.00 0.48 H new ATOM 0 HB3 LYS A 52 3.351 2.732 -13.781 1.00 0.48 H new ATOM 0 HG2 LYS A 52 0.751 1.242 -13.925 1.00 0.73 H new ATOM 0 HG3 LYS A 52 1.010 2.427 -15.190 1.00 0.73 H new ATOM 0 HD2 LYS A 52 2.796 1.259 -16.118 1.00 0.96 H new ATOM 0 HD3 LYS A 52 3.373 0.691 -14.564 1.00 0.96 H new ATOM 0 HE2 LYS A 52 1.070 -0.702 -14.587 1.00 1.50 H new ATOM 0 HE3 LYS A 52 1.199 -0.472 -16.320 1.00 1.50 H new ATOM 0 HZ1 LYS A 52 2.318 -2.516 -15.331 1.00 2.26 H new ATOM 0 HZ2 LYS A 52 3.255 -1.580 -16.393 1.00 2.26 H new ATOM 0 HZ3 LYS A 52 3.498 -1.461 -14.717 1.00 2.26 H new ATOM 839 N ASP A 53 4.281 0.950 -11.552 1.00 0.39 N ATOM 840 CA ASP A 53 5.653 0.824 -10.963 1.00 0.39 C ATOM 841 C ASP A 53 6.599 1.866 -11.583 1.00 0.39 C ATOM 842 O ASP A 53 7.585 2.250 -10.979 1.00 0.43 O ATOM 843 CB ASP A 53 6.200 -0.586 -11.236 1.00 0.45 C ATOM 844 CG ASP A 53 6.309 -0.825 -12.750 1.00 0.54 C ATOM 845 OD1 ASP A 53 5.311 -1.201 -13.346 1.00 0.67 O ATOM 846 OD2 ASP A 53 7.388 -0.629 -13.286 1.00 0.64 O ATOM 0 H ASP A 53 3.951 0.121 -12.046 1.00 0.39 H new ATOM 0 HA ASP A 53 5.592 0.996 -9.888 1.00 0.39 H new ATOM 0 HB2 ASP A 53 7.179 -0.702 -10.770 1.00 0.45 H new ATOM 0 HB3 ASP A 53 5.544 -1.332 -10.788 1.00 0.45 H new ATOM 851 N HIS A 54 6.308 2.318 -12.784 1.00 0.41 N ATOM 852 CA HIS A 54 7.185 3.328 -13.459 1.00 0.45 C ATOM 853 C HIS A 54 7.073 4.700 -12.767 1.00 0.42 C ATOM 854 O HIS A 54 7.858 5.592 -13.036 1.00 0.52 O ATOM 855 CB HIS A 54 6.762 3.461 -14.925 1.00 0.50 C ATOM 856 CG HIS A 54 7.010 2.161 -15.642 1.00 0.59 C ATOM 857 ND1 HIS A 54 8.279 1.758 -16.027 1.00 0.78 N ATOM 858 CD2 HIS A 54 6.160 1.162 -16.050 1.00 0.75 C ATOM 859 CE1 HIS A 54 8.158 0.564 -16.635 1.00 0.88 C ATOM 860 NE2 HIS A 54 6.887 0.155 -16.675 1.00 0.85 N ATOM 0 H HIS A 54 5.495 2.027 -13.327 1.00 0.41 H new ATOM 0 HA HIS A 54 8.220 2.992 -13.395 1.00 0.45 H new ATOM 0 HB2 HIS A 54 5.707 3.726 -14.987 1.00 0.50 H new ATOM 0 HB3 HIS A 54 7.321 4.265 -15.404 1.00 0.50 H new ATOM 0 HD2 HIS A 54 5.090 1.159 -15.907 1.00 0.75 H new ATOM 0 HE1 HIS A 54 8.988 0.004 -17.041 1.00 0.88 H new ATOM 0 HE2 HIS A 54 6.527 -0.710 -17.078 1.00 0.85 H new ATOM 868 N ILE A 55 6.113 4.879 -11.884 1.00 0.37 N ATOM 869 CA ILE A 55 5.963 6.194 -11.184 1.00 0.36 C ATOM 870 C ILE A 55 6.336 6.032 -9.705 1.00 0.34 C ATOM 871 O ILE A 55 6.050 5.019 -9.088 1.00 0.37 O ATOM 872 CB ILE A 55 4.511 6.681 -11.306 1.00 0.37 C ATOM 873 CG1 ILE A 55 4.166 6.902 -12.785 1.00 0.44 C ATOM 874 CG2 ILE A 55 4.343 8.003 -10.550 1.00 0.42 C ATOM 875 CD1 ILE A 55 3.550 5.629 -13.370 1.00 0.49 C ATOM 0 H ILE A 55 5.429 4.170 -11.620 1.00 0.37 H new ATOM 0 HA ILE A 55 6.625 6.928 -11.643 1.00 0.36 H new ATOM 0 HB ILE A 55 3.846 5.930 -10.880 1.00 0.37 H new ATOM 0 HG12 ILE A 55 3.468 7.733 -12.885 1.00 0.44 H new ATOM 0 HG13 ILE A 55 5.064 7.171 -13.341 1.00 0.44 H new ATOM 0 HG21 ILE A 55 3.312 8.345 -10.639 1.00 0.42 H new ATOM 0 HG22 ILE A 55 4.586 7.854 -9.498 1.00 0.42 H new ATOM 0 HG23 ILE A 55 5.011 8.752 -10.974 1.00 0.42 H new ATOM 0 HD11 ILE A 55 3.307 5.792 -14.420 1.00 0.49 H new ATOM 0 HD12 ILE A 55 4.262 4.808 -13.285 1.00 0.49 H new ATOM 0 HD13 ILE A 55 2.642 5.379 -12.822 1.00 0.49 H new ATOM 887 N SER A 56 6.978 7.027 -9.139 1.00 0.35 N ATOM 888 CA SER A 56 7.386 6.952 -7.702 1.00 0.34 C ATOM 889 C SER A 56 6.173 7.199 -6.794 1.00 0.34 C ATOM 890 O SER A 56 5.228 7.871 -7.172 1.00 0.37 O ATOM 891 CB SER A 56 8.457 8.007 -7.418 1.00 0.40 C ATOM 892 OG SER A 56 9.428 7.464 -6.535 1.00 0.67 O ATOM 0 H SER A 56 7.237 7.891 -9.614 1.00 0.35 H new ATOM 0 HA SER A 56 7.786 5.959 -7.499 1.00 0.34 H new ATOM 0 HB2 SER A 56 8.930 8.321 -8.348 1.00 0.40 H new ATOM 0 HB3 SER A 56 8.002 8.894 -6.976 1.00 0.40 H new ATOM 0 HG SER A 56 10.117 8.137 -6.352 1.00 0.67 H new ATOM 898 N LEU A 57 6.205 6.663 -5.594 1.00 0.33 N ATOM 899 CA LEU A 57 5.069 6.859 -4.638 1.00 0.35 C ATOM 900 C LEU A 57 4.928 8.349 -4.303 1.00 0.41 C ATOM 901 O LEU A 57 3.835 8.833 -4.066 1.00 0.46 O ATOM 902 CB LEU A 57 5.336 6.068 -3.351 1.00 0.36 C ATOM 903 CG LEU A 57 5.211 4.567 -3.630 1.00 0.37 C ATOM 904 CD1 LEU A 57 5.891 3.780 -2.508 1.00 0.40 C ATOM 905 CD2 LEU A 57 3.730 4.178 -3.697 1.00 0.48 C ATOM 0 H LEU A 57 6.974 6.096 -5.236 1.00 0.33 H new ATOM 0 HA LEU A 57 4.147 6.503 -5.098 1.00 0.35 H new ATOM 0 HB2 LEU A 57 6.333 6.295 -2.974 1.00 0.36 H new ATOM 0 HB3 LEU A 57 4.627 6.364 -2.578 1.00 0.36 H new ATOM 0 HG LEU A 57 5.691 4.336 -4.581 1.00 0.37 H new ATOM 0 HD11 LEU A 57 5.802 2.712 -2.707 1.00 0.40 H new ATOM 0 HD12 LEU A 57 6.945 4.053 -2.459 1.00 0.40 H new ATOM 0 HD13 LEU A 57 5.411 4.013 -1.557 1.00 0.40 H new ATOM 0 HD21 LEU A 57 3.643 3.110 -3.896 1.00 0.48 H new ATOM 0 HD22 LEU A 57 3.249 4.411 -2.747 1.00 0.48 H new ATOM 0 HD23 LEU A 57 3.243 4.736 -4.496 1.00 0.48 H new ATOM 917 N GLU A 58 6.024 9.080 -4.290 1.00 0.44 N ATOM 918 CA GLU A 58 5.965 10.543 -3.982 1.00 0.52 C ATOM 919 C GLU A 58 5.093 11.257 -5.026 1.00 0.48 C ATOM 920 O GLU A 58 4.397 12.206 -4.712 1.00 0.53 O ATOM 921 CB GLU A 58 7.383 11.130 -4.006 1.00 0.62 C ATOM 922 CG GLU A 58 7.383 12.510 -3.336 1.00 0.73 C ATOM 923 CD GLU A 58 7.208 12.353 -1.821 1.00 1.04 C ATOM 924 OE1 GLU A 58 8.206 12.153 -1.145 1.00 1.31 O ATOM 925 OE2 GLU A 58 6.079 12.436 -1.361 1.00 1.19 O ATOM 0 H GLU A 58 6.959 8.720 -4.481 1.00 0.44 H new ATOM 0 HA GLU A 58 5.531 10.686 -2.993 1.00 0.52 H new ATOM 0 HB2 GLU A 58 8.072 10.463 -3.487 1.00 0.62 H new ATOM 0 HB3 GLU A 58 7.735 11.214 -5.034 1.00 0.62 H new ATOM 0 HG2 GLU A 58 8.317 13.029 -3.551 1.00 0.73 H new ATOM 0 HG3 GLU A 58 6.578 13.122 -3.743 1.00 0.73 H new ATOM 932 N ASP A 59 5.121 10.801 -6.262 1.00 0.43 N ATOM 933 CA ASP A 59 4.287 11.439 -7.329 1.00 0.42 C ATOM 934 C ASP A 59 2.803 11.233 -7.000 1.00 0.40 C ATOM 935 O ASP A 59 2.010 12.153 -7.081 1.00 0.44 O ATOM 936 CB ASP A 59 4.602 10.798 -8.686 1.00 0.45 C ATOM 937 CG ASP A 59 6.037 11.140 -9.102 1.00 0.50 C ATOM 938 OD1 ASP A 59 6.232 12.200 -9.674 1.00 0.70 O ATOM 939 OD2 ASP A 59 6.916 10.334 -8.844 1.00 0.67 O ATOM 0 H ASP A 59 5.688 10.013 -6.574 1.00 0.43 H new ATOM 0 HA ASP A 59 4.510 12.505 -7.375 1.00 0.42 H new ATOM 0 HB2 ASP A 59 4.479 9.717 -8.625 1.00 0.45 H new ATOM 0 HB3 ASP A 59 3.900 11.156 -9.439 1.00 0.45 H new ATOM 944 N TYR A 60 2.432 10.030 -6.619 1.00 0.38 N ATOM 945 CA TYR A 60 1.005 9.746 -6.266 1.00 0.39 C ATOM 946 C TYR A 60 0.659 10.397 -4.915 1.00 0.42 C ATOM 947 O TYR A 60 -0.503 10.555 -4.583 1.00 0.47 O ATOM 948 CB TYR A 60 0.794 8.230 -6.176 1.00 0.40 C ATOM 949 CG TYR A 60 0.897 7.623 -7.558 1.00 0.36 C ATOM 950 CD1 TYR A 60 0.025 8.036 -8.573 1.00 0.40 C ATOM 951 CD2 TYR A 60 1.867 6.648 -7.823 1.00 0.38 C ATOM 952 CE1 TYR A 60 0.123 7.475 -9.851 1.00 0.42 C ATOM 953 CE2 TYR A 60 1.964 6.086 -9.102 1.00 0.40 C ATOM 954 CZ TYR A 60 1.092 6.499 -10.116 1.00 0.40 C ATOM 955 OH TYR A 60 1.194 5.942 -11.378 1.00 0.47 O ATOM 0 H TYR A 60 3.061 9.231 -6.538 1.00 0.38 H new ATOM 0 HA TYR A 60 0.355 10.160 -7.037 1.00 0.39 H new ATOM 0 HB2 TYR A 60 1.540 7.787 -5.516 1.00 0.40 H new ATOM 0 HB3 TYR A 60 -0.183 8.013 -5.744 1.00 0.40 H new ATOM 0 HD1 TYR A 60 -0.723 8.788 -8.369 1.00 0.40 H new ATOM 0 HD2 TYR A 60 2.540 6.330 -7.041 1.00 0.38 H new ATOM 0 HE1 TYR A 60 -0.549 7.795 -10.634 1.00 0.42 H new ATOM 0 HE2 TYR A 60 2.712 5.334 -9.306 1.00 0.40 H new ATOM 0 HH TYR A 60 0.910 6.597 -12.049 1.00 0.47 H new ATOM 965 N GLU A 61 1.661 10.776 -4.143 1.00 0.43 N ATOM 966 CA GLU A 61 1.429 11.426 -2.815 1.00 0.48 C ATOM 967 C GLU A 61 1.033 10.370 -1.771 1.00 0.43 C ATOM 968 O GLU A 61 -0.085 10.338 -1.286 1.00 0.61 O ATOM 969 CB GLU A 61 0.340 12.506 -2.936 1.00 0.61 C ATOM 970 CG GLU A 61 0.779 13.768 -2.185 1.00 0.80 C ATOM 971 CD GLU A 61 1.975 14.409 -2.902 1.00 0.98 C ATOM 972 OE1 GLU A 61 1.751 15.123 -3.867 1.00 1.25 O ATOM 973 OE2 GLU A 61 3.095 14.177 -2.472 1.00 1.08 O ATOM 0 H GLU A 61 2.644 10.657 -4.387 1.00 0.43 H new ATOM 0 HA GLU A 61 2.353 11.904 -2.488 1.00 0.48 H new ATOM 0 HB2 GLU A 61 0.161 12.739 -3.985 1.00 0.61 H new ATOM 0 HB3 GLU A 61 -0.600 12.136 -2.527 1.00 0.61 H new ATOM 0 HG2 GLU A 61 -0.047 14.477 -2.132 1.00 0.80 H new ATOM 0 HG3 GLU A 61 1.050 13.517 -1.160 1.00 0.80 H new ATOM 980 N VAL A 62 1.964 9.515 -1.415 1.00 0.36 N ATOM 981 CA VAL A 62 1.684 8.460 -0.392 1.00 0.35 C ATOM 982 C VAL A 62 2.360 8.872 0.924 1.00 0.40 C ATOM 983 O VAL A 62 3.575 8.932 1.012 1.00 0.54 O ATOM 984 CB VAL A 62 2.244 7.113 -0.873 1.00 0.35 C ATOM 985 CG1 VAL A 62 1.903 6.017 0.141 1.00 0.41 C ATOM 986 CG2 VAL A 62 1.626 6.755 -2.231 1.00 0.42 C ATOM 0 H VAL A 62 2.911 9.504 -1.793 1.00 0.36 H new ATOM 0 HA VAL A 62 0.610 8.355 -0.240 1.00 0.35 H new ATOM 0 HB VAL A 62 3.327 7.192 -0.972 1.00 0.35 H new ATOM 0 HG11 VAL A 62 2.303 5.064 -0.205 1.00 0.41 H new ATOM 0 HG12 VAL A 62 2.343 6.265 1.107 1.00 0.41 H new ATOM 0 HG13 VAL A 62 0.821 5.941 0.244 1.00 0.41 H new ATOM 0 HG21 VAL A 62 2.024 5.799 -2.571 1.00 0.42 H new ATOM 0 HG22 VAL A 62 0.543 6.682 -2.130 1.00 0.42 H new ATOM 0 HG23 VAL A 62 1.871 7.529 -2.958 1.00 0.42 H new ATOM 996 N HIS A 63 1.580 9.171 1.937 1.00 0.39 N ATOM 997 CA HIS A 63 2.167 9.601 3.247 1.00 0.50 C ATOM 998 C HIS A 63 1.943 8.520 4.317 1.00 0.38 C ATOM 999 O HIS A 63 1.386 7.470 4.050 1.00 0.39 O ATOM 1000 CB HIS A 63 1.501 10.907 3.695 1.00 0.68 C ATOM 1001 CG HIS A 63 1.931 12.030 2.791 1.00 0.94 C ATOM 1002 ND1 HIS A 63 1.067 12.619 1.882 1.00 1.24 N ATOM 1003 CD2 HIS A 63 3.129 12.684 2.647 1.00 1.26 C ATOM 1004 CE1 HIS A 63 1.752 13.581 1.238 1.00 1.41 C ATOM 1005 NE2 HIS A 63 3.014 13.664 1.666 1.00 1.42 N ATOM 0 H HIS A 63 0.561 9.136 1.913 1.00 0.39 H new ATOM 0 HA HIS A 63 3.239 9.753 3.121 1.00 0.50 H new ATOM 0 HB2 HIS A 63 0.416 10.801 3.669 1.00 0.68 H new ATOM 0 HB3 HIS A 63 1.775 11.132 4.726 1.00 0.68 H new ATOM 0 HD2 HIS A 63 4.025 12.470 3.210 1.00 1.26 H new ATOM 0 HE1 HIS A 63 1.332 14.210 0.468 1.00 1.41 H new ATOM 0 HE2 HIS A 63 3.737 14.307 1.344 1.00 1.42 H new ATOM 1013 N ASP A 64 2.381 8.781 5.530 1.00 0.37 N ATOM 1014 CA ASP A 64 2.209 7.789 6.637 1.00 0.31 C ATOM 1015 C ASP A 64 0.723 7.653 6.987 1.00 0.29 C ATOM 1016 O ASP A 64 -0.001 8.632 7.055 1.00 0.36 O ATOM 1017 CB ASP A 64 2.984 8.264 7.872 1.00 0.35 C ATOM 1018 CG ASP A 64 3.277 7.075 8.794 1.00 0.37 C ATOM 1019 OD1 ASP A 64 2.362 6.627 9.467 1.00 0.49 O ATOM 1020 OD2 ASP A 64 4.414 6.632 8.814 1.00 0.58 O ATOM 0 H ASP A 64 2.853 9.645 5.799 1.00 0.37 H new ATOM 0 HA ASP A 64 2.592 6.820 6.315 1.00 0.31 H new ATOM 0 HB2 ASP A 64 3.917 8.737 7.567 1.00 0.35 H new ATOM 0 HB3 ASP A 64 2.406 9.017 8.408 1.00 0.35 H new ATOM 1025 N GLN A 65 0.272 6.439 7.212 1.00 0.28 N ATOM 1026 CA GLN A 65 -1.164 6.198 7.563 1.00 0.33 C ATOM 1027 C GLN A 65 -2.079 6.692 6.426 1.00 0.34 C ATOM 1028 O GLN A 65 -3.158 7.208 6.664 1.00 0.49 O ATOM 1029 CB GLN A 65 -1.500 6.929 8.873 1.00 0.42 C ATOM 1030 CG GLN A 65 -1.797 5.905 9.971 1.00 0.50 C ATOM 1031 CD GLN A 65 -0.508 5.578 10.733 1.00 0.61 C ATOM 1032 OE1 GLN A 65 -0.174 6.240 11.696 1.00 0.96 O ATOM 1033 NE2 GLN A 65 0.236 4.580 10.340 1.00 0.58 N ATOM 0 H GLN A 65 0.846 5.597 7.166 1.00 0.28 H new ATOM 0 HA GLN A 65 -1.327 5.129 7.697 1.00 0.33 H new ATOM 0 HB2 GLN A 65 -0.666 7.565 9.171 1.00 0.42 H new ATOM 0 HB3 GLN A 65 -2.361 7.581 8.727 1.00 0.42 H new ATOM 0 HG2 GLN A 65 -2.546 6.300 10.657 1.00 0.50 H new ATOM 0 HG3 GLN A 65 -2.212 4.997 9.533 1.00 0.50 H new ATOM 0 HE21 GLN A 65 -0.043 4.023 9.532 1.00 0.58 H new ATOM 0 HE22 GLN A 65 1.096 4.357 10.841 1.00 0.58 H new ATOM 1042 N THR A 66 -1.660 6.524 5.191 1.00 0.30 N ATOM 1043 CA THR A 66 -2.502 6.971 4.036 1.00 0.36 C ATOM 1044 C THR A 66 -3.392 5.807 3.568 1.00 0.34 C ATOM 1045 O THR A 66 -3.116 4.651 3.847 1.00 0.35 O ATOM 1046 CB THR A 66 -1.596 7.445 2.887 1.00 0.42 C ATOM 1047 OG1 THR A 66 -2.385 8.099 1.902 1.00 0.54 O ATOM 1048 CG2 THR A 66 -0.875 6.253 2.251 1.00 0.43 C ATOM 0 H THR A 66 -0.770 6.096 4.935 1.00 0.30 H new ATOM 0 HA THR A 66 -3.138 7.800 4.347 1.00 0.36 H new ATOM 0 HB THR A 66 -0.853 8.136 3.286 1.00 0.42 H new ATOM 0 HG1 THR A 66 -1.905 8.885 1.567 1.00 0.54 H new ATOM 0 HG21 THR A 66 -0.238 6.604 1.439 1.00 0.43 H new ATOM 0 HG22 THR A 66 -0.263 5.754 3.003 1.00 0.43 H new ATOM 0 HG23 THR A 66 -1.610 5.551 1.857 1.00 0.43 H new ATOM 1056 N ASN A 67 -4.458 6.105 2.862 1.00 0.38 N ATOM 1057 CA ASN A 67 -5.373 5.026 2.380 1.00 0.38 C ATOM 1058 C ASN A 67 -5.060 4.676 0.919 1.00 0.37 C ATOM 1059 O ASN A 67 -4.762 5.538 0.110 1.00 0.51 O ATOM 1060 CB ASN A 67 -6.827 5.496 2.491 1.00 0.47 C ATOM 1061 CG ASN A 67 -7.757 4.281 2.528 1.00 0.70 C ATOM 1062 OD1 ASN A 67 -8.408 3.971 1.548 1.00 0.95 O ATOM 1063 ND2 ASN A 67 -7.845 3.572 3.621 1.00 0.95 N ATOM 0 H ASN A 67 -4.732 7.052 2.599 1.00 0.38 H new ATOM 0 HA ASN A 67 -5.226 4.139 2.997 1.00 0.38 H new ATOM 0 HB2 ASN A 67 -6.959 6.095 3.392 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -7.079 6.134 1.644 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.459 2.758 3.653 1.00 0.95 H new ATOM 0 HD22 ASN A 67 -7.299 3.832 4.443 1.00 0.95 H new ATOM 1070 N LEU A 68 -5.133 3.409 0.587 1.00 0.32 N ATOM 1071 CA LEU A 68 -4.851 2.958 -0.810 1.00 0.33 C ATOM 1072 C LEU A 68 -5.823 1.829 -1.189 1.00 0.33 C ATOM 1073 O LEU A 68 -6.463 1.237 -0.337 1.00 0.42 O ATOM 1074 CB LEU A 68 -3.408 2.446 -0.900 1.00 0.35 C ATOM 1075 CG LEU A 68 -2.732 3.026 -2.146 1.00 0.45 C ATOM 1076 CD1 LEU A 68 -1.432 3.729 -1.745 1.00 0.58 C ATOM 1077 CD2 LEU A 68 -2.418 1.894 -3.130 1.00 0.65 C ATOM 0 H LEU A 68 -5.379 2.660 1.234 1.00 0.32 H new ATOM 0 HA LEU A 68 -4.982 3.794 -1.497 1.00 0.33 H new ATOM 0 HB2 LEU A 68 -2.854 2.733 -0.007 1.00 0.35 H new ATOM 0 HB3 LEU A 68 -3.400 1.357 -0.944 1.00 0.35 H new ATOM 0 HG LEU A 68 -3.401 3.745 -2.619 1.00 0.45 H new ATOM 0 HD11 LEU A 68 -0.952 4.141 -2.633 1.00 0.58 H new ATOM 0 HD12 LEU A 68 -1.655 4.535 -1.046 1.00 0.58 H new ATOM 0 HD13 LEU A 68 -0.762 3.012 -1.270 1.00 0.58 H new ATOM 0 HD21 LEU A 68 -1.937 2.306 -4.017 1.00 0.65 H new ATOM 0 HD22 LEU A 68 -1.750 1.175 -2.656 1.00 0.65 H new ATOM 0 HD23 LEU A 68 -3.343 1.395 -3.418 1.00 0.65 H new ATOM 1089 N GLU A 69 -5.936 1.530 -2.461 1.00 0.36 N ATOM 1090 CA GLU A 69 -6.864 0.444 -2.909 1.00 0.37 C ATOM 1091 C GLU A 69 -6.051 -0.750 -3.425 1.00 0.33 C ATOM 1092 O GLU A 69 -4.975 -0.590 -3.974 1.00 0.38 O ATOM 1093 CB GLU A 69 -7.762 0.972 -4.031 1.00 0.43 C ATOM 1094 CG GLU A 69 -8.857 1.867 -3.441 1.00 0.53 C ATOM 1095 CD GLU A 69 -8.450 3.339 -3.576 1.00 0.74 C ATOM 1096 OE1 GLU A 69 -8.680 3.903 -4.635 1.00 0.94 O ATOM 1097 OE2 GLU A 69 -7.917 3.878 -2.620 1.00 1.00 O ATOM 0 H GLU A 69 -5.423 1.993 -3.211 1.00 0.36 H new ATOM 0 HA GLU A 69 -7.479 0.125 -2.068 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -7.168 1.535 -4.751 1.00 0.43 H new ATOM 0 HB3 GLU A 69 -8.212 0.139 -4.572 1.00 0.43 H new ATOM 0 HG2 GLU A 69 -9.801 1.692 -3.957 1.00 0.53 H new ATOM 0 HG3 GLU A 69 -9.017 1.619 -2.392 1.00 0.53 H new ATOM 1104 N LEU A 70 -6.564 -1.946 -3.250 1.00 0.33 N ATOM 1105 CA LEU A 70 -5.836 -3.161 -3.724 1.00 0.33 C ATOM 1106 C LEU A 70 -6.753 -3.993 -4.630 1.00 0.31 C ATOM 1107 O LEU A 70 -7.879 -4.299 -4.280 1.00 0.39 O ATOM 1108 CB LEU A 70 -5.400 -4.003 -2.518 1.00 0.39 C ATOM 1109 CG LEU A 70 -4.531 -5.180 -2.982 1.00 0.47 C ATOM 1110 CD1 LEU A 70 -3.347 -4.663 -3.807 1.00 0.59 C ATOM 1111 CD2 LEU A 70 -3.999 -5.934 -1.761 1.00 0.54 C ATOM 0 H LEU A 70 -7.459 -2.130 -2.797 1.00 0.33 H new ATOM 0 HA LEU A 70 -4.955 -2.856 -4.288 1.00 0.33 H new ATOM 0 HB2 LEU A 70 -4.842 -3.384 -1.815 1.00 0.39 H new ATOM 0 HB3 LEU A 70 -6.277 -4.375 -1.988 1.00 0.39 H new ATOM 0 HG LEU A 70 -5.136 -5.848 -3.596 1.00 0.47 H new ATOM 0 HD11 LEU A 70 -2.735 -5.504 -4.132 1.00 0.59 H new ATOM 0 HD12 LEU A 70 -3.719 -4.126 -4.679 1.00 0.59 H new ATOM 0 HD13 LEU A 70 -2.744 -3.991 -3.196 1.00 0.59 H new ATOM 0 HD21 LEU A 70 -3.382 -6.770 -2.090 1.00 0.54 H new ATOM 0 HD22 LEU A 70 -3.400 -5.259 -1.149 1.00 0.54 H new ATOM 0 HD23 LEU A 70 -4.836 -6.310 -1.173 1.00 0.54 H new ATOM 1123 N TYR A 71 -6.270 -4.357 -5.792 1.00 0.32 N ATOM 1124 CA TYR A 71 -7.089 -5.171 -6.740 1.00 0.34 C ATOM 1125 C TYR A 71 -6.220 -6.291 -7.327 1.00 0.37 C ATOM 1126 O TYR A 71 -5.015 -6.156 -7.439 1.00 0.45 O ATOM 1127 CB TYR A 71 -7.608 -4.271 -7.868 1.00 0.40 C ATOM 1128 CG TYR A 71 -8.906 -3.626 -7.441 1.00 0.39 C ATOM 1129 CD1 TYR A 71 -8.889 -2.415 -6.736 1.00 0.52 C ATOM 1130 CD2 TYR A 71 -10.127 -4.239 -7.749 1.00 0.63 C ATOM 1131 CE1 TYR A 71 -10.091 -1.821 -6.338 1.00 0.67 C ATOM 1132 CE2 TYR A 71 -11.328 -3.642 -7.352 1.00 0.79 C ATOM 1133 CZ TYR A 71 -11.311 -2.434 -6.646 1.00 0.74 C ATOM 1134 OH TYR A 71 -12.496 -1.849 -6.250 1.00 0.97 O ATOM 0 H TYR A 71 -5.335 -4.123 -6.126 1.00 0.32 H new ATOM 0 HA TYR A 71 -7.936 -5.609 -6.212 1.00 0.34 H new ATOM 0 HB2 TYR A 71 -6.870 -3.505 -8.105 1.00 0.40 H new ATOM 0 HB3 TYR A 71 -7.762 -4.857 -8.774 1.00 0.40 H new ATOM 0 HD1 TYR A 71 -7.948 -1.941 -6.500 1.00 0.52 H new ATOM 0 HD2 TYR A 71 -10.141 -5.172 -8.293 1.00 0.63 H new ATOM 0 HE1 TYR A 71 -10.078 -0.889 -5.793 1.00 0.67 H new ATOM 0 HE2 TYR A 71 -12.270 -4.114 -7.591 1.00 0.79 H new ATOM 0 HH TYR A 71 -13.249 -2.403 -6.545 1.00 0.97 H new ATOM 1144 N TYR A 72 -6.822 -7.396 -7.697 1.00 0.47 N ATOM 1145 CA TYR A 72 -6.033 -8.530 -8.270 1.00 0.51 C ATOM 1146 C TYR A 72 -6.317 -8.644 -9.773 1.00 0.59 C ATOM 1147 O TYR A 72 -7.448 -8.834 -10.184 1.00 0.70 O ATOM 1148 CB TYR A 72 -6.418 -9.838 -7.565 1.00 0.60 C ATOM 1149 CG TYR A 72 -6.179 -9.708 -6.074 1.00 0.54 C ATOM 1150 CD1 TYR A 72 -4.930 -9.291 -5.593 1.00 0.58 C ATOM 1151 CD2 TYR A 72 -7.211 -10.005 -5.175 1.00 0.65 C ATOM 1152 CE1 TYR A 72 -4.715 -9.170 -4.215 1.00 0.63 C ATOM 1153 CE2 TYR A 72 -6.995 -9.884 -3.796 1.00 0.65 C ATOM 1154 CZ TYR A 72 -5.747 -9.466 -3.316 1.00 0.59 C ATOM 1155 OH TYR A 72 -5.536 -9.343 -1.958 1.00 0.69 O ATOM 0 H TYR A 72 -7.826 -7.561 -7.627 1.00 0.47 H new ATOM 0 HA TYR A 72 -4.970 -8.344 -8.118 1.00 0.51 H new ATOM 0 HB2 TYR A 72 -7.466 -10.070 -7.756 1.00 0.60 H new ATOM 0 HB3 TYR A 72 -5.831 -10.664 -7.966 1.00 0.60 H new ATOM 0 HD1 TYR A 72 -4.133 -9.063 -6.286 1.00 0.58 H new ATOM 0 HD2 TYR A 72 -8.173 -10.327 -5.545 1.00 0.65 H new ATOM 0 HE1 TYR A 72 -3.753 -8.848 -3.845 1.00 0.63 H new ATOM 0 HE2 TYR A 72 -7.791 -10.113 -3.103 1.00 0.65 H new ATOM 0 HH TYR A 72 -5.966 -8.524 -1.633 1.00 0.69 H new ATOM 1165 N LEU A 73 -5.285 -8.520 -10.585 1.00 0.65 N ATOM 1166 CA LEU A 73 -5.439 -8.605 -12.076 1.00 0.77 C ATOM 1167 C LEU A 73 -6.044 -7.299 -12.619 1.00 0.91 C ATOM 1168 O LEU A 73 -7.137 -6.943 -12.205 1.00 0.98 O ATOM 1169 CB LEU A 73 -6.331 -9.798 -12.457 1.00 0.78 C ATOM 1170 CG LEU A 73 -5.858 -10.380 -13.793 1.00 0.91 C ATOM 1171 CD1 LEU A 73 -5.345 -11.805 -13.580 1.00 1.16 C ATOM 1172 CD2 LEU A 73 -7.025 -10.401 -14.786 1.00 1.40 C ATOM 1173 OXT LEU A 73 -5.396 -6.673 -13.442 1.00 1.12 O ATOM 0 H LEU A 73 -4.328 -8.361 -10.269 1.00 0.65 H new ATOM 0 HA LEU A 73 -4.454 -8.752 -12.520 1.00 0.77 H new ATOM 0 HB2 LEU A 73 -6.288 -10.561 -11.680 1.00 0.78 H new ATOM 0 HB3 LEU A 73 -7.370 -9.479 -12.534 1.00 0.78 H new ATOM 0 HG LEU A 73 -5.054 -9.761 -14.191 1.00 0.91 H new ATOM 0 HD11 LEU A 73 -5.009 -12.217 -14.532 1.00 1.16 H new ATOM 0 HD12 LEU A 73 -4.512 -11.791 -12.877 1.00 1.16 H new ATOM 0 HD13 LEU A 73 -6.147 -12.425 -13.180 1.00 1.16 H new ATOM 0 HD21 LEU A 73 -6.687 -10.815 -15.736 1.00 1.40 H new ATOM 0 HD22 LEU A 73 -7.831 -11.017 -14.387 1.00 1.40 H new ATOM 0 HD23 LEU A 73 -7.388 -9.385 -14.942 1.00 1.40 H new TER 1185 LEU A 73