USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 82 SER OG : rot 91:sc= 1.32 USER MOD Set 1.2: A 85 THR OG1 : rot -4:sc= 1.26 USER MOD Set 2.1: A 33 ASN : amide:sc= -1.56! K(o=-1.4!,f=-0.44) USER MOD Set 2.2: A 37 SER OG : rot -150:sc= 0.183 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.212 (180deg=-0.977) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.21 (180deg=1.07) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.982 USER MOD Single : A 5 GLN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -5.74! C(o=-5.7!,f=-8.9!) USER MOD Single : A 12 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.4) USER MOD Single : A 18 GLN : amide:sc= -0.647 K(o=-0.65,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0566) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.6!) USER MOD Single : A 38 SER OG : rot 40:sc= 1.23 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 49 SER OG : rot 180:sc= -0.956 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0926 K(o=-0.093,f=-2.1!) USER MOD Single : A 64 ASN : amide:sc= -0.0694 K(o=-0.069,f=-2.1!) USER MOD Single : A 65 ASN : amide:sc= -0.0346 K(o=-0.035,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= -0.0082 (180deg=-0.0776) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= -0.023 (180deg=-0.174) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.82) USER MOD Single : A 88 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.033) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.790 -1.594 5.283 1.00 1.70 N ATOM 2 CA MET A 1 11.381 -1.431 5.711 1.00 1.61 C ATOM 3 C MET A 1 11.268 -1.324 7.218 1.00 0.88 C ATOM 4 O MET A 1 11.875 -2.098 7.952 1.00 1.16 O ATOM 5 CB MET A 1 10.542 -2.621 5.255 1.00 2.50 C ATOM 6 CG MET A 1 9.076 -2.470 5.610 1.00 2.77 C ATOM 7 SD MET A 1 8.308 -4.007 6.157 1.00 2.91 S ATOM 8 CE MET A 1 9.285 -4.397 7.610 1.00 2.61 C ATOM 0 H1 MET A 1 12.860 -1.444 4.256 1.00 1.70 H new ATOM 0 H2 MET A 1 13.385 -0.898 5.776 1.00 1.70 H new ATOM 0 H3 MET A 1 13.115 -2.554 5.516 1.00 1.70 H new ATOM 0 HA MET A 1 11.015 -0.512 5.254 1.00 1.61 H new ATOM 0 HB2 MET A 1 10.641 -2.738 4.176 1.00 2.50 H new ATOM 0 HB3 MET A 1 10.931 -3.531 5.711 1.00 2.50 H new ATOM 0 HG2 MET A 1 8.976 -1.723 6.397 1.00 2.77 H new ATOM 0 HG3 MET A 1 8.537 -2.092 4.741 1.00 2.77 H new ATOM 0 HE1 MET A 1 8.681 -4.974 8.310 1.00 2.61 H new ATOM 0 HE2 MET A 1 10.157 -4.981 7.316 1.00 2.61 H new ATOM 0 HE3 MET A 1 9.611 -3.473 8.088 1.00 2.61 H new ATOM 20 N THR A 2 10.485 -0.363 7.677 1.00 0.65 N ATOM 21 CA THR A 2 10.171 -0.259 9.090 1.00 1.13 C ATOM 22 C THR A 2 8.732 -0.644 9.366 1.00 1.10 C ATOM 23 O THR A 2 8.291 -0.679 10.513 1.00 1.86 O ATOM 24 CB THR A 2 10.405 1.168 9.589 1.00 1.75 C ATOM 25 OG1 THR A 2 9.811 2.093 8.668 1.00 2.36 O ATOM 26 CG2 THR A 2 11.889 1.462 9.744 1.00 2.63 C ATOM 0 H THR A 2 10.056 0.355 7.093 1.00 0.65 H new ATOM 0 HA THR A 2 10.830 -0.948 9.618 1.00 1.13 H new ATOM 0 HB THR A 2 9.942 1.275 10.570 1.00 1.75 H new ATOM 0 HG1 THR A 2 9.957 3.009 8.984 1.00 2.36 H new ATOM 0 HG21 THR A 2 12.022 2.484 10.100 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.324 0.768 10.463 1.00 2.63 H new ATOM 0 HG23 THR A 2 12.385 1.346 8.781 1.00 2.63 H new ATOM 34 N CYS A 3 8.011 -0.916 8.288 1.00 0.81 N ATOM 35 CA CYS A 3 6.561 -1.089 8.304 1.00 0.69 C ATOM 36 C CYS A 3 5.897 0.275 8.486 1.00 0.65 C ATOM 37 O CYS A 3 4.762 0.488 8.069 1.00 0.79 O ATOM 38 CB CYS A 3 6.093 -2.089 9.371 1.00 0.76 C ATOM 39 SG CYS A 3 4.461 -2.824 9.017 1.00 0.70 S ATOM 0 H CYS A 3 8.422 -1.025 7.361 1.00 0.81 H new ATOM 0 HA CYS A 3 6.259 -1.517 7.348 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.831 -2.887 9.458 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.054 -1.585 10.337 1.00 0.76 H new ATOM 44 N GLY A 4 6.642 1.209 9.072 1.00 0.57 N ATOM 45 CA GLY A 4 6.220 2.591 9.103 1.00 0.56 C ATOM 46 C GLY A 4 6.545 3.243 7.785 1.00 0.51 C ATOM 47 O GLY A 4 5.836 4.133 7.322 1.00 0.53 O ATOM 0 H GLY A 4 7.536 1.027 9.528 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.149 2.651 9.297 1.00 0.56 H new ATOM 0 HA3 GLY A 4 6.721 3.118 9.915 1.00 0.56 H new ATOM 51 N GLN A 5 7.642 2.780 7.186 1.00 0.52 N ATOM 52 CA GLN A 5 7.958 3.085 5.802 1.00 0.51 C ATOM 53 C GLN A 5 6.766 2.708 4.942 1.00 0.46 C ATOM 54 O GLN A 5 6.334 3.469 4.080 1.00 0.52 O ATOM 55 CB GLN A 5 9.196 2.295 5.352 1.00 0.60 C ATOM 56 CG GLN A 5 9.669 2.644 3.950 1.00 0.62 C ATOM 57 CD GLN A 5 10.742 1.703 3.435 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.931 1.915 3.663 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.328 0.667 2.719 1.00 0.96 N ATOM 0 H GLN A 5 8.330 2.186 7.649 1.00 0.52 H new ATOM 0 HA GLN A 5 8.174 4.149 5.700 1.00 0.51 H new ATOM 0 HB2 GLN A 5 10.008 2.478 6.056 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.971 1.229 5.395 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.818 2.623 3.270 1.00 0.62 H new ATOM 0 HG3 GLN A 5 10.055 3.663 3.946 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.331 0.527 2.553 1.00 0.96 H new ATOM 0 HE22 GLN A 5 11.006 0.009 2.334 1.00 0.96 H new ATOM 68 N VAL A 6 6.222 1.523 5.214 1.00 0.43 N ATOM 69 CA VAL A 6 5.025 1.051 4.511 1.00 0.44 C ATOM 70 C VAL A 6 3.827 1.932 4.854 1.00 0.44 C ATOM 71 O VAL A 6 3.000 2.235 3.999 1.00 0.49 O ATOM 72 CB VAL A 6 4.665 -0.400 4.895 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.651 -0.984 3.924 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.896 -1.278 4.970 1.00 1.12 C ATOM 0 H VAL A 6 6.587 0.874 5.911 1.00 0.43 H new ATOM 0 HA VAL A 6 5.251 1.097 3.446 1.00 0.44 H new ATOM 0 HB VAL A 6 4.215 -0.372 5.888 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.414 -2.007 4.217 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.742 -0.382 3.941 1.00 1.02 H new ATOM 0 HG13 VAL A 6 4.069 -0.982 2.917 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.604 -2.292 5.243 1.00 1.12 H new ATOM 0 HG22 VAL A 6 6.392 -1.292 4.000 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.579 -0.883 5.722 1.00 1.12 H new ATOM 84 N GLN A 7 3.749 2.339 6.119 1.00 0.47 N ATOM 85 CA GLN A 7 2.642 3.149 6.610 1.00 0.54 C ATOM 86 C GLN A 7 2.530 4.459 5.832 1.00 0.58 C ATOM 87 O GLN A 7 1.436 4.985 5.664 1.00 0.70 O ATOM 88 CB GLN A 7 2.812 3.433 8.105 1.00 0.66 C ATOM 89 CG GLN A 7 1.645 4.187 8.720 1.00 0.98 C ATOM 90 CD GLN A 7 1.835 4.447 10.200 1.00 1.27 C ATOM 91 OE1 GLN A 7 2.377 5.476 10.600 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.400 3.506 11.021 1.00 1.69 N ATOM 0 H GLN A 7 4.448 2.117 6.827 1.00 0.47 H new ATOM 0 HA GLN A 7 1.721 2.586 6.460 1.00 0.54 H new ATOM 0 HB2 GLN A 7 2.941 2.488 8.633 1.00 0.66 H new ATOM 0 HB3 GLN A 7 3.725 4.009 8.255 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.517 5.137 8.201 1.00 0.98 H new ATOM 0 HG3 GLN A 7 0.729 3.616 8.570 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.956 2.668 10.646 1.00 1.69 H new ATOM 0 HE22 GLN A 7 1.509 3.619 12.029 1.00 1.69 H new ATOM 101 N GLY A 8 3.660 4.956 5.329 1.00 0.60 N ATOM 102 CA GLY A 8 3.661 6.187 4.551 1.00 0.70 C ATOM 103 C GLY A 8 2.769 6.097 3.325 1.00 0.66 C ATOM 104 O GLY A 8 2.333 7.114 2.783 1.00 0.82 O ATOM 0 H GLY A 8 4.578 4.527 5.447 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.327 7.012 5.180 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.680 6.416 4.240 1.00 0.70 H new ATOM 108 N ASN A 9 2.497 4.872 2.897 1.00 0.58 N ATOM 109 CA ASN A 9 1.596 4.622 1.781 1.00 0.63 C ATOM 110 C ASN A 9 0.155 4.900 2.194 1.00 0.62 C ATOM 111 O ASN A 9 -0.543 5.697 1.568 1.00 0.78 O ATOM 112 CB ASN A 9 1.729 3.164 1.322 1.00 0.75 C ATOM 113 CG ASN A 9 0.786 2.793 0.190 1.00 1.30 C ATOM 114 OD1 ASN A 9 1.130 2.905 -0.978 1.00 1.86 O ATOM 115 ND2 ASN A 9 -0.406 2.326 0.529 1.00 1.86 N ATOM 0 H ASN A 9 2.892 4.028 3.311 1.00 0.58 H new ATOM 0 HA ASN A 9 1.863 5.286 0.959 1.00 0.63 H new ATOM 0 HB2 ASN A 9 2.755 2.985 1.002 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.541 2.506 2.171 1.00 0.75 H new ATOM 0 HD21 ASN A 9 -1.069 2.047 -0.194 1.00 1.86 H new ATOM 0 HD22 ASN A 9 -0.661 2.245 1.513 1.00 1.86 H new ATOM 122 N LEU A 10 -0.272 4.260 3.274 1.00 0.56 N ATOM 123 CA LEU A 10 -1.669 4.317 3.684 1.00 0.66 C ATOM 124 C LEU A 10 -1.966 5.538 4.535 1.00 0.65 C ATOM 125 O LEU A 10 -3.045 6.096 4.438 1.00 0.72 O ATOM 126 CB LEU A 10 -2.080 3.063 4.457 1.00 0.89 C ATOM 127 CG LEU A 10 -2.056 1.757 3.668 1.00 1.00 C ATOM 128 CD1 LEU A 10 -0.653 1.178 3.620 1.00 1.45 C ATOM 129 CD2 LEU A 10 -3.037 0.767 4.270 1.00 1.73 C ATOM 0 H LEU A 10 0.326 3.698 3.880 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.249 4.381 2.763 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -1.420 2.957 5.318 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -3.088 3.212 4.845 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.361 1.964 2.642 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -0.663 0.248 3.052 1.00 1.45 H new ATOM 0 HD12 LEU A 10 0.018 1.890 3.139 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -0.306 0.980 4.634 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -3.013 -0.162 3.700 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -2.761 0.565 5.305 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -4.043 1.186 4.238 1.00 1.73 H new ATOM 141 N ALA A 11 -1.003 5.955 5.353 1.00 0.62 N ATOM 142 CA ALA A 11 -1.213 7.036 6.323 1.00 0.69 C ATOM 143 C ALA A 11 -1.815 8.281 5.681 1.00 0.63 C ATOM 144 O ALA A 11 -2.575 9.011 6.319 1.00 0.72 O ATOM 145 CB ALA A 11 0.093 7.393 7.014 1.00 0.77 C ATOM 0 H ALA A 11 -0.063 5.560 5.366 1.00 0.62 H new ATOM 0 HA ALA A 11 -1.926 6.666 7.060 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.082 8.196 7.730 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.479 6.518 7.537 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.820 7.721 6.271 1.00 0.77 H new ATOM 151 N GLN A 12 -1.488 8.506 4.419 1.00 0.56 N ATOM 152 CA GLN A 12 -1.955 9.683 3.705 1.00 0.53 C ATOM 153 C GLN A 12 -3.348 9.463 3.139 1.00 0.52 C ATOM 154 O GLN A 12 -4.114 10.408 2.960 1.00 0.60 O ATOM 155 CB GLN A 12 -0.991 10.014 2.567 1.00 0.56 C ATOM 156 CG GLN A 12 0.467 10.071 2.992 1.00 0.52 C ATOM 157 CD GLN A 12 1.388 10.498 1.869 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.607 11.689 1.651 1.00 2.18 O ATOM 159 NE2 GLN A 12 1.956 9.531 1.168 1.00 1.88 N ATOM 0 H GLN A 12 -0.898 7.885 3.865 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.995 10.513 4.410 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -1.101 9.266 1.781 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.271 10.975 2.135 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.571 10.766 3.825 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.774 9.090 3.355 1.00 0.52 H new ATOM 0 HE21 GLN A 12 1.747 8.556 1.382 1.00 1.88 H new ATOM 0 HE22 GLN A 12 2.603 9.760 0.414 1.00 1.88 H new ATOM 168 N CYS A 13 -3.681 8.217 2.871 1.00 0.52 N ATOM 169 CA CYS A 13 -4.949 7.903 2.246 1.00 0.56 C ATOM 170 C CYS A 13 -5.897 7.222 3.200 1.00 0.53 C ATOM 171 O CYS A 13 -7.002 6.869 2.816 1.00 0.56 O ATOM 172 CB CYS A 13 -4.726 7.071 0.994 1.00 0.69 C ATOM 173 SG CYS A 13 -4.494 8.076 -0.499 1.00 1.23 S ATOM 0 H CYS A 13 -3.094 7.408 3.075 1.00 0.52 H new ATOM 0 HA CYS A 13 -5.421 8.842 1.957 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.851 6.437 1.138 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.579 6.408 0.849 1.00 0.69 H new ATOM 178 N ILE A 14 -5.475 7.073 4.449 1.00 0.58 N ATOM 179 CA ILE A 14 -6.362 6.598 5.502 1.00 0.67 C ATOM 180 C ILE A 14 -7.571 7.528 5.601 1.00 0.67 C ATOM 181 O ILE A 14 -8.664 7.102 5.956 1.00 0.77 O ATOM 182 CB ILE A 14 -5.644 6.514 6.876 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.636 5.360 6.885 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.645 6.345 8.013 1.00 1.04 C ATOM 185 CD1 ILE A 14 -3.841 5.249 8.172 1.00 1.11 C ATOM 0 H ILE A 14 -4.524 7.274 4.757 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.683 5.589 5.242 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.110 7.452 7.030 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.169 4.424 6.716 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -3.945 5.488 6.052 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.112 6.289 8.962 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.325 7.197 8.028 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.215 5.428 7.863 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.150 4.409 8.101 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.279 6.169 8.333 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.522 5.089 9.008 1.00 1.11 H new ATOM 197 N GLY A 15 -7.367 8.797 5.257 1.00 0.66 N ATOM 198 CA GLY A 15 -8.479 9.735 5.200 1.00 0.76 C ATOM 199 C GLY A 15 -9.553 9.293 4.235 1.00 0.86 C ATOM 200 O GLY A 15 -10.691 9.071 4.622 1.00 1.45 O ATOM 0 H GLY A 15 -6.458 9.192 5.018 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.910 9.844 6.195 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.109 10.716 4.903 1.00 0.76 H new ATOM 204 N PHE A 16 -9.172 9.180 2.973 1.00 0.61 N ATOM 205 CA PHE A 16 -10.055 8.689 1.919 1.00 0.60 C ATOM 206 C PHE A 16 -10.547 7.279 2.242 1.00 0.60 C ATOM 207 O PHE A 16 -11.725 6.962 2.073 1.00 0.69 O ATOM 208 CB PHE A 16 -9.280 8.709 0.606 1.00 0.59 C ATOM 209 CG PHE A 16 -9.832 7.814 -0.470 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.877 8.236 -1.275 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.300 6.549 -0.681 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.382 7.415 -2.266 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.801 5.725 -1.668 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.843 6.158 -2.462 1.00 0.91 C ATOM 0 H PHE A 16 -8.238 9.427 2.646 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.935 9.327 1.839 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.257 9.732 0.231 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.248 8.419 0.806 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.302 9.218 -1.127 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.483 6.205 -0.064 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.197 7.756 -2.887 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -9.378 4.743 -1.819 1.00 0.85 H new ATOM 0 HZ PHE A 16 -11.237 5.515 -3.236 1.00 0.91 H new ATOM 224 N LEU A 17 -9.608 6.455 2.685 1.00 0.56 N ATOM 225 CA LEU A 17 -9.875 5.124 3.220 1.00 0.67 C ATOM 226 C LEU A 17 -11.062 5.165 4.180 1.00 0.79 C ATOM 227 O LEU A 17 -12.032 4.435 4.014 1.00 0.87 O ATOM 228 CB LEU A 17 -8.610 4.669 3.948 1.00 0.74 C ATOM 229 CG LEU A 17 -7.739 3.641 3.225 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.575 3.984 1.752 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.375 3.537 3.890 1.00 1.43 C ATOM 0 H LEU A 17 -8.617 6.697 2.683 1.00 0.56 H new ATOM 0 HA LEU A 17 -10.128 4.429 2.420 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -8.000 5.548 4.154 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.902 4.251 4.911 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.244 2.678 3.293 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.950 3.232 1.271 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.553 4.004 1.272 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -7.104 4.962 1.656 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.768 2.801 3.363 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.879 4.507 3.857 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.499 3.228 4.928 1.00 1.43 H new ATOM 243 N GLN A 18 -10.990 6.044 5.167 1.00 0.87 N ATOM 244 CA GLN A 18 -12.093 6.235 6.094 1.00 1.07 C ATOM 245 C GLN A 18 -13.248 6.908 5.400 1.00 1.09 C ATOM 246 O GLN A 18 -14.246 6.285 5.033 1.00 1.20 O ATOM 247 CB GLN A 18 -11.669 7.110 7.267 1.00 1.25 C ATOM 248 CG GLN A 18 -10.631 6.472 8.138 1.00 1.08 C ATOM 249 CD GLN A 18 -10.350 7.265 9.400 1.00 1.33 C ATOM 250 OE1 GLN A 18 -9.988 6.702 10.432 1.00 1.73 O ATOM 251 NE2 GLN A 18 -10.514 8.579 9.329 1.00 2.00 N ATOM 0 H GLN A 18 -10.179 6.636 5.346 1.00 0.87 H new ATOM 0 HA GLN A 18 -12.392 5.252 6.457 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -11.282 8.055 6.885 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -12.545 7.345 7.871 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -10.960 5.469 8.411 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -9.707 6.361 7.571 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -10.816 9.009 8.455 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -10.339 9.160 10.149 1.00 2.00 H new ATOM 260 N LYS A 19 -13.085 8.194 5.219 1.00 1.06 N ATOM 261 CA LYS A 19 -14.117 9.022 4.649 1.00 1.21 C ATOM 262 C LYS A 19 -13.514 10.206 3.904 1.00 1.34 C ATOM 263 O LYS A 19 -13.366 11.297 4.459 1.00 2.08 O ATOM 264 CB LYS A 19 -15.043 9.502 5.751 1.00 1.41 C ATOM 265 CG LYS A 19 -16.488 9.524 5.327 1.00 1.98 C ATOM 266 CD LYS A 19 -17.413 9.708 6.515 1.00 2.69 C ATOM 267 CE LYS A 19 -17.262 8.573 7.519 1.00 3.29 C ATOM 268 NZ LYS A 19 -17.720 7.267 6.971 1.00 4.09 N ATOM 0 H LYS A 19 -12.232 8.697 5.463 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.687 8.433 3.930 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -14.933 8.854 6.620 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.744 10.503 6.061 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -16.646 10.332 4.613 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -16.732 8.593 4.815 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -17.196 10.658 7.003 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -18.446 9.755 6.170 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -16.217 8.492 7.818 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -17.833 8.808 8.417 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -17.709 6.551 7.725 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -18.687 7.366 6.601 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -17.084 6.970 6.203 1.00 4.09 H new ATOM 282 N GLY A 20 -13.142 9.967 2.659 1.00 1.18 N ATOM 283 CA GLY A 20 -12.580 11.014 1.832 1.00 1.47 C ATOM 284 C GLY A 20 -13.207 11.023 0.458 1.00 1.29 C ATOM 285 O GLY A 20 -14.179 10.309 0.216 1.00 1.99 O ATOM 0 H GLY A 20 -13.220 9.059 2.201 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -12.734 11.981 2.311 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -11.503 10.871 1.742 1.00 1.47 H new ATOM 289 N GLY A 21 -12.660 11.819 -0.445 1.00 1.10 N ATOM 290 CA GLY A 21 -13.229 11.924 -1.773 1.00 1.37 C ATOM 291 C GLY A 21 -12.194 11.801 -2.865 1.00 1.26 C ATOM 292 O GLY A 21 -12.358 11.031 -3.814 1.00 1.79 O ATOM 0 H GLY A 21 -11.833 12.394 -0.284 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -13.982 11.147 -1.903 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -13.740 12.882 -1.870 1.00 1.37 H new ATOM 296 N VAL A 22 -11.122 12.560 -2.729 1.00 1.14 N ATOM 297 CA VAL A 22 -10.100 12.638 -3.758 1.00 1.00 C ATOM 298 C VAL A 22 -8.755 12.129 -3.240 1.00 0.82 C ATOM 299 O VAL A 22 -8.330 12.475 -2.136 1.00 0.87 O ATOM 300 CB VAL A 22 -9.965 14.087 -4.287 1.00 1.11 C ATOM 301 CG1 VAL A 22 -9.833 15.071 -3.134 1.00 1.92 C ATOM 302 CG2 VAL A 22 -8.789 14.219 -5.249 1.00 1.28 C ATOM 0 H VAL A 22 -10.935 13.136 -1.908 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.408 11.996 -4.583 1.00 1.00 H new ATOM 0 HB VAL A 22 -10.874 14.326 -4.840 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.739 16.083 -3.528 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -10.717 15.009 -2.500 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -8.948 14.827 -2.547 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -8.722 15.248 -5.602 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -7.866 13.951 -4.735 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -8.937 13.553 -6.099 1.00 1.28 H new ATOM 312 N VAL A 23 -8.113 11.282 -4.035 1.00 0.71 N ATOM 313 CA VAL A 23 -6.790 10.774 -3.704 1.00 0.58 C ATOM 314 C VAL A 23 -5.719 11.761 -4.152 1.00 0.54 C ATOM 315 O VAL A 23 -5.583 12.044 -5.346 1.00 0.58 O ATOM 316 CB VAL A 23 -6.523 9.399 -4.354 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.104 8.934 -4.077 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.520 8.369 -3.854 1.00 0.69 C ATOM 0 H VAL A 23 -8.490 10.932 -4.916 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.752 10.652 -2.622 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.644 9.508 -5.432 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.941 7.963 -4.545 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.398 9.657 -4.485 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.953 8.847 -3.001 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.315 7.407 -4.323 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.430 8.271 -2.772 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.531 8.688 -4.107 1.00 0.69 H new ATOM 328 N PRO A 24 -4.960 12.304 -3.197 1.00 0.54 N ATOM 329 CA PRO A 24 -3.922 13.288 -3.484 1.00 0.58 C ATOM 330 C PRO A 24 -2.665 12.653 -4.078 1.00 0.55 C ATOM 331 O PRO A 24 -2.270 11.551 -3.686 1.00 0.47 O ATOM 332 CB PRO A 24 -3.621 13.882 -2.108 1.00 0.67 C ATOM 333 CG PRO A 24 -3.927 12.783 -1.149 1.00 0.81 C ATOM 334 CD PRO A 24 -5.055 11.996 -1.755 1.00 0.59 C ATOM 0 HA PRO A 24 -4.244 14.021 -4.224 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.580 14.197 -2.031 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.235 14.761 -1.913 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.053 12.151 -0.990 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -4.211 13.184 -0.176 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -4.946 10.928 -1.565 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.019 12.296 -1.344 1.00 0.59 H new ATOM 342 N PRO A 25 -2.006 13.351 -5.024 1.00 0.65 N ATOM 343 CA PRO A 25 -0.735 12.902 -5.609 1.00 0.67 C ATOM 344 C PRO A 25 0.350 12.733 -4.543 1.00 0.66 C ATOM 345 O PRO A 25 1.369 12.083 -4.764 1.00 0.71 O ATOM 346 CB PRO A 25 -0.364 14.024 -6.587 1.00 0.81 C ATOM 347 CG PRO A 25 -1.647 14.729 -6.869 1.00 1.03 C ATOM 348 CD PRO A 25 -2.460 14.623 -5.610 1.00 0.81 C ATOM 0 HA PRO A 25 -0.825 11.928 -6.090 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.371 14.701 -6.151 1.00 0.81 H new ATOM 0 HB3 PRO A 25 0.075 13.622 -7.500 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.470 15.772 -7.133 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.168 14.271 -7.710 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.277 15.463 -4.940 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.529 14.611 -5.821 1.00 0.81 H new ATOM 356 N SER A 26 0.089 13.301 -3.375 1.00 0.68 N ATOM 357 CA SER A 26 0.978 13.205 -2.227 1.00 0.73 C ATOM 358 C SER A 26 0.955 11.783 -1.704 1.00 0.65 C ATOM 359 O SER A 26 1.984 11.112 -1.614 1.00 0.68 O ATOM 360 CB SER A 26 0.489 14.148 -1.138 1.00 0.83 C ATOM 361 OG SER A 26 0.275 15.448 -1.662 1.00 0.91 O ATOM 0 H SER A 26 -0.754 13.847 -3.196 1.00 0.68 H new ATOM 0 HA SER A 26 1.993 13.476 -2.518 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.437 13.766 -0.708 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.221 14.191 -0.331 1.00 0.83 H new ATOM 0 HG SER A 26 -0.041 16.041 -0.948 1.00 0.91 H new ATOM 367 N CYS A 27 -0.250 11.340 -1.375 1.00 0.58 N ATOM 368 CA CYS A 27 -0.502 9.960 -1.019 1.00 0.55 C ATOM 369 C CYS A 27 0.011 9.047 -2.123 1.00 0.47 C ATOM 370 O CYS A 27 0.681 8.050 -1.856 1.00 0.48 O ATOM 371 CB CYS A 27 -1.996 9.760 -0.813 1.00 0.57 C ATOM 372 SG CYS A 27 -2.489 8.015 -0.759 1.00 0.74 S ATOM 0 H CYS A 27 -1.080 11.933 -1.349 1.00 0.58 H new ATOM 0 HA CYS A 27 0.019 9.714 -0.094 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.295 10.243 0.117 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.536 10.258 -1.618 1.00 0.57 H new ATOM 377 N CYS A 28 -0.273 9.426 -3.368 1.00 0.42 N ATOM 378 CA CYS A 28 0.174 8.660 -4.523 1.00 0.40 C ATOM 379 C CYS A 28 1.690 8.552 -4.594 1.00 0.45 C ATOM 380 O CYS A 28 2.221 7.536 -5.042 1.00 0.50 O ATOM 381 CB CYS A 28 -0.374 9.249 -5.818 1.00 0.45 C ATOM 382 SG CYS A 28 -2.041 8.650 -6.212 1.00 1.40 S ATOM 0 H CYS A 28 -0.812 10.261 -3.600 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.221 7.652 -4.400 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.393 10.336 -5.738 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.300 9.001 -6.638 1.00 0.45 H new ATOM 387 N THR A 29 2.384 9.588 -4.146 1.00 0.51 N ATOM 388 CA THR A 29 3.836 9.560 -4.099 1.00 0.58 C ATOM 389 C THR A 29 4.306 8.453 -3.158 1.00 0.54 C ATOM 390 O THR A 29 5.256 7.735 -3.456 1.00 0.56 O ATOM 391 CB THR A 29 4.413 10.919 -3.640 1.00 0.72 C ATOM 392 OG1 THR A 29 4.029 11.952 -4.560 1.00 0.79 O ATOM 393 CG2 THR A 29 5.933 10.873 -3.541 1.00 0.77 C ATOM 0 H THR A 29 1.965 10.456 -3.811 1.00 0.51 H new ATOM 0 HA THR A 29 4.200 9.362 -5.107 1.00 0.58 H new ATOM 0 HB THR A 29 4.009 11.134 -2.651 1.00 0.72 H new ATOM 0 HG1 THR A 29 3.051 12.007 -4.600 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.306 11.844 -3.216 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.228 10.111 -2.819 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.354 10.631 -4.517 1.00 0.77 H new ATOM 401 N GLY A 30 3.596 8.297 -2.044 1.00 0.54 N ATOM 402 CA GLY A 30 3.939 7.273 -1.077 1.00 0.57 C ATOM 403 C GLY A 30 3.695 5.880 -1.609 1.00 0.47 C ATOM 404 O GLY A 30 4.453 4.956 -1.317 1.00 0.51 O ATOM 0 H GLY A 30 2.786 8.865 -1.795 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.988 7.375 -0.799 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.353 7.421 -0.170 1.00 0.57 H new ATOM 408 N VAL A 31 2.630 5.730 -2.387 1.00 0.41 N ATOM 409 CA VAL A 31 2.343 4.464 -3.049 1.00 0.44 C ATOM 410 C VAL A 31 3.468 4.122 -4.004 1.00 0.39 C ATOM 411 O VAL A 31 3.989 3.005 -4.013 1.00 0.40 O ATOM 412 CB VAL A 31 1.022 4.525 -3.841 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.632 3.147 -4.357 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.084 5.118 -2.990 1.00 0.65 C ATOM 0 H VAL A 31 1.952 6.468 -2.575 1.00 0.41 H new ATOM 0 HA VAL A 31 2.251 3.700 -2.277 1.00 0.44 H new ATOM 0 HB VAL A 31 1.173 5.174 -4.704 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.303 3.218 -4.912 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.416 2.769 -5.013 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.504 2.466 -3.515 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.008 5.153 -3.567 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.232 4.501 -2.104 1.00 0.65 H new ATOM 0 HG23 VAL A 31 0.192 6.128 -2.686 1.00 0.65 H new ATOM 424 N LYS A 32 3.858 5.109 -4.796 1.00 0.40 N ATOM 425 CA LYS A 32 4.975 4.955 -5.706 1.00 0.46 C ATOM 426 C LYS A 32 6.272 4.722 -4.935 1.00 0.44 C ATOM 427 O LYS A 32 7.245 4.222 -5.491 1.00 0.49 O ATOM 428 CB LYS A 32 5.109 6.179 -6.613 1.00 0.58 C ATOM 429 CG LYS A 32 3.873 6.437 -7.461 1.00 1.05 C ATOM 430 CD LYS A 32 4.086 7.583 -8.430 1.00 1.14 C ATOM 431 CE LYS A 32 2.819 7.898 -9.212 1.00 1.31 C ATOM 432 NZ LYS A 32 3.049 8.946 -10.239 1.00 1.54 N ATOM 0 H LYS A 32 3.414 6.027 -4.824 1.00 0.40 H new ATOM 0 HA LYS A 32 4.783 4.083 -6.331 1.00 0.46 H new ATOM 0 HB2 LYS A 32 5.310 7.057 -5.999 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.969 6.045 -7.269 1.00 0.58 H new ATOM 0 HG2 LYS A 32 3.618 5.534 -8.016 1.00 1.05 H new ATOM 0 HG3 LYS A 32 3.027 6.662 -6.812 1.00 1.05 H new ATOM 0 HD2 LYS A 32 4.406 8.469 -7.882 1.00 1.14 H new ATOM 0 HD3 LYS A 32 4.889 7.330 -9.123 1.00 1.14 H new ATOM 0 HE2 LYS A 32 2.455 6.991 -9.694 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.040 8.228 -8.524 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.162 9.132 -10.750 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 3.372 9.820 -9.777 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 3.774 8.621 -10.910 1.00 1.54 H new ATOM 446 N ASN A 33 6.289 5.073 -3.649 1.00 0.41 N ATOM 447 CA ASN A 33 7.456 4.799 -2.821 1.00 0.44 C ATOM 448 C ASN A 33 7.497 3.329 -2.437 1.00 0.39 C ATOM 449 O ASN A 33 8.488 2.655 -2.678 1.00 0.46 O ATOM 450 CB ASN A 33 7.482 5.675 -1.562 1.00 0.52 C ATOM 451 CG ASN A 33 7.817 7.130 -1.850 1.00 1.19 C ATOM 452 OD1 ASN A 33 7.378 8.031 -1.132 1.00 2.11 O ATOM 453 ND2 ASN A 33 8.599 7.372 -2.894 1.00 1.58 N ATOM 0 H ASN A 33 5.520 5.540 -3.167 1.00 0.41 H new ATOM 0 HA ASN A 33 8.340 5.042 -3.411 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.510 5.623 -1.071 1.00 0.52 H new ATOM 0 HB3 ASN A 33 8.214 5.272 -0.862 1.00 0.52 H new ATOM 0 HD21 ASN A 33 8.857 8.331 -3.127 1.00 1.58 H new ATOM 0 HD22 ASN A 33 8.942 6.599 -3.464 1.00 1.58 H new ATOM 460 N ILE A 34 6.422 2.832 -1.847 1.00 0.36 N ATOM 461 CA ILE A 34 6.335 1.426 -1.480 1.00 0.40 C ATOM 462 C ILE A 34 6.504 0.505 -2.685 1.00 0.48 C ATOM 463 O ILE A 34 7.111 -0.560 -2.578 1.00 0.57 O ATOM 464 CB ILE A 34 5.001 1.145 -0.754 1.00 0.48 C ATOM 465 CG1 ILE A 34 4.951 1.953 0.542 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.807 -0.337 -0.475 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.243 1.909 1.334 1.00 0.58 C ATOM 0 H ILE A 34 5.596 3.382 -1.611 1.00 0.36 H new ATOM 0 HA ILE A 34 7.159 1.211 -0.800 1.00 0.40 H new ATOM 0 HB ILE A 34 4.184 1.452 -1.407 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.715 2.990 0.305 1.00 0.61 H new ATOM 0 HG13 ILE A 34 4.140 1.576 1.165 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.857 -0.490 0.037 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.805 -0.887 -1.416 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.620 -0.698 0.155 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.134 2.504 2.241 1.00 0.58 H new ATOM 0 HD12 ILE A 34 6.470 0.877 1.602 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.054 2.314 0.729 1.00 0.58 H new ATOM 479 N LEU A 35 5.997 0.919 -3.830 1.00 0.56 N ATOM 480 CA LEU A 35 6.154 0.126 -5.041 1.00 0.79 C ATOM 481 C LEU A 35 7.513 0.349 -5.686 1.00 0.93 C ATOM 482 O LEU A 35 8.368 -0.533 -5.688 1.00 1.31 O ATOM 483 CB LEU A 35 5.046 0.428 -6.054 1.00 1.04 C ATOM 484 CG LEU A 35 3.795 -0.416 -5.883 1.00 1.16 C ATOM 485 CD1 LEU A 35 2.966 0.051 -4.699 1.00 1.36 C ATOM 486 CD2 LEU A 35 2.970 -0.430 -7.156 1.00 1.93 C ATOM 0 H LEU A 35 5.478 1.789 -3.951 1.00 0.56 H new ATOM 0 HA LEU A 35 6.081 -0.920 -4.742 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.774 1.480 -5.974 1.00 1.04 H new ATOM 0 HB3 LEU A 35 5.438 0.276 -7.060 1.00 1.04 H new ATOM 0 HG LEU A 35 4.113 -1.438 -5.677 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.079 -0.575 -4.607 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.559 -0.023 -3.788 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.664 1.087 -4.852 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.080 -1.041 -7.006 1.00 1.93 H new ATOM 0 HD22 LEU A 35 2.673 0.588 -7.408 1.00 1.93 H new ATOM 0 HD23 LEU A 35 3.564 -0.847 -7.970 1.00 1.93 H new ATOM 498 N ASN A 36 7.711 1.535 -6.225 1.00 0.89 N ATOM 499 CA ASN A 36 8.913 1.828 -6.999 1.00 1.06 C ATOM 500 C ASN A 36 10.121 2.045 -6.095 1.00 1.01 C ATOM 501 O ASN A 36 11.174 1.443 -6.300 1.00 1.13 O ATOM 502 CB ASN A 36 8.708 3.069 -7.877 1.00 1.21 C ATOM 503 CG ASN A 36 7.649 2.886 -8.948 1.00 1.58 C ATOM 504 OD1 ASN A 36 6.691 2.132 -8.784 1.00 2.45 O ATOM 505 ND2 ASN A 36 7.816 3.580 -10.064 1.00 1.81 N ATOM 0 H ASN A 36 7.059 2.315 -6.145 1.00 0.89 H new ATOM 0 HA ASN A 36 9.103 0.963 -7.634 1.00 1.06 H new ATOM 0 HB2 ASN A 36 8.430 3.911 -7.243 1.00 1.21 H new ATOM 0 HB3 ASN A 36 9.654 3.327 -8.353 1.00 1.21 H new ATOM 0 HD21 ASN A 36 7.138 3.498 -10.822 1.00 1.81 H new ATOM 0 HD22 ASN A 36 8.623 4.196 -10.166 1.00 1.81 H new ATOM 512 N SER A 37 9.958 2.887 -5.084 1.00 0.90 N ATOM 513 CA SER A 37 11.079 3.326 -4.260 1.00 0.98 C ATOM 514 C SER A 37 11.418 2.340 -3.136 1.00 0.84 C ATOM 515 O SER A 37 12.225 2.655 -2.261 1.00 0.94 O ATOM 516 CB SER A 37 10.776 4.705 -3.677 1.00 1.05 C ATOM 517 OG SER A 37 10.413 5.619 -4.701 1.00 1.55 O ATOM 0 H SER A 37 9.057 3.282 -4.813 1.00 0.90 H new ATOM 0 HA SER A 37 11.955 3.375 -4.906 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.968 4.627 -2.950 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.650 5.079 -3.143 1.00 1.05 H new ATOM 0 HG SER A 37 10.679 6.525 -4.440 1.00 1.55 H new ATOM 523 N SER A 38 10.792 1.163 -3.139 1.00 0.67 N ATOM 524 CA SER A 38 11.219 0.081 -2.259 1.00 0.58 C ATOM 525 C SER A 38 12.689 -0.199 -2.549 1.00 0.67 C ATOM 526 O SER A 38 13.053 -0.512 -3.687 1.00 1.22 O ATOM 527 CB SER A 38 10.360 -1.162 -2.482 1.00 0.54 C ATOM 528 OG SER A 38 10.656 -2.163 -1.523 1.00 1.43 O ATOM 0 H SER A 38 9.996 0.938 -3.735 1.00 0.67 H new ATOM 0 HA SER A 38 11.098 0.365 -1.214 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.305 -0.895 -2.420 1.00 0.54 H new ATOM 0 HB3 SER A 38 10.532 -1.552 -3.485 1.00 0.54 H new ATOM 0 HG SER A 38 10.798 -1.746 -0.648 1.00 1.43 H new ATOM 534 N ARG A 39 13.524 -0.046 -1.524 1.00 0.87 N ATOM 535 CA ARG A 39 14.983 -0.028 -1.681 1.00 1.08 C ATOM 536 C ARG A 39 15.499 -1.218 -2.482 1.00 0.84 C ATOM 537 O ARG A 39 16.416 -1.092 -3.291 1.00 1.22 O ATOM 538 CB ARG A 39 15.645 -0.011 -0.304 1.00 1.40 C ATOM 539 CG ARG A 39 15.290 1.214 0.517 1.00 1.90 C ATOM 540 CD ARG A 39 15.709 2.487 -0.194 1.00 2.25 C ATOM 541 NE ARG A 39 15.381 3.685 0.578 1.00 2.89 N ATOM 542 CZ ARG A 39 15.886 4.891 0.325 1.00 3.60 C ATOM 543 NH1 ARG A 39 16.723 5.068 -0.691 1.00 3.87 N ATOM 544 NH2 ARG A 39 15.549 5.924 1.085 1.00 4.47 N ATOM 0 H ARG A 39 13.212 0.069 -0.560 1.00 0.87 H new ATOM 0 HA ARG A 39 15.239 0.873 -2.238 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.350 -0.906 0.244 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.727 -0.056 -0.428 1.00 1.40 H new ATOM 0 HG2 ARG A 39 14.216 1.233 0.702 1.00 1.90 H new ATOM 0 HG3 ARG A 39 15.780 1.159 1.489 1.00 1.90 H new ATOM 0 HD2 ARG A 39 16.783 2.460 -0.381 1.00 2.25 H new ATOM 0 HD3 ARG A 39 15.217 2.537 -1.166 1.00 2.25 H new ATOM 0 HE ARG A 39 14.727 3.591 1.355 1.00 2.89 H new ATOM 0 HH11 ARG A 39 16.982 4.278 -1.282 1.00 3.87 H new ATOM 0 HH12 ARG A 39 17.107 5.994 -0.880 1.00 3.87 H new ATOM 0 HH21 ARG A 39 14.903 5.795 1.864 1.00 4.47 H new ATOM 0 HH22 ARG A 39 15.936 6.848 0.891 1.00 4.47 H new ATOM 558 N THR A 40 14.891 -2.360 -2.260 1.00 0.62 N ATOM 559 CA THR A 40 15.310 -3.594 -2.887 1.00 0.70 C ATOM 560 C THR A 40 14.180 -4.594 -2.770 1.00 0.75 C ATOM 561 O THR A 40 13.203 -4.323 -2.089 1.00 0.61 O ATOM 562 CB THR A 40 16.604 -4.137 -2.220 1.00 0.88 C ATOM 563 OG1 THR A 40 16.807 -5.523 -2.520 1.00 1.59 O ATOM 564 CG2 THR A 40 16.567 -3.942 -0.712 1.00 1.25 C ATOM 0 H THR A 40 14.089 -2.461 -1.638 1.00 0.62 H new ATOM 0 HA THR A 40 15.538 -3.418 -3.938 1.00 0.70 H new ATOM 0 HB THR A 40 17.437 -3.567 -2.631 1.00 0.88 H new ATOM 0 HG1 THR A 40 17.630 -5.834 -2.088 1.00 1.59 H new ATOM 0 HG21 THR A 40 17.485 -4.331 -0.272 1.00 1.25 H new ATOM 0 HG22 THR A 40 16.478 -2.880 -0.485 1.00 1.25 H new ATOM 0 HG23 THR A 40 15.712 -4.475 -0.297 1.00 1.25 H new ATOM 572 N THR A 41 14.284 -5.730 -3.428 1.00 1.03 N ATOM 573 CA THR A 41 13.281 -6.768 -3.264 1.00 1.16 C ATOM 574 C THR A 41 13.383 -7.353 -1.863 1.00 1.04 C ATOM 575 O THR A 41 12.417 -7.893 -1.323 1.00 0.97 O ATOM 576 CB THR A 41 13.432 -7.872 -4.317 1.00 1.58 C ATOM 577 OG1 THR A 41 13.283 -7.308 -5.630 1.00 1.79 O ATOM 578 CG2 THR A 41 12.408 -8.983 -4.124 1.00 1.73 C ATOM 0 H THR A 41 15.040 -5.959 -4.073 1.00 1.03 H new ATOM 0 HA THR A 41 12.297 -6.320 -3.403 1.00 1.16 H new ATOM 0 HB THR A 41 14.425 -8.307 -4.203 1.00 1.58 H new ATOM 0 HG1 THR A 41 13.381 -8.014 -6.302 1.00 1.79 H new ATOM 0 HG21 THR A 41 12.549 -9.745 -4.890 1.00 1.73 H new ATOM 0 HG22 THR A 41 12.538 -9.431 -3.139 1.00 1.73 H new ATOM 0 HG23 THR A 41 11.403 -8.569 -4.205 1.00 1.73 H new ATOM 586 N ALA A 42 14.555 -7.195 -1.260 1.00 1.12 N ATOM 587 CA ALA A 42 14.731 -7.516 0.143 1.00 1.18 C ATOM 588 C ALA A 42 13.888 -6.572 0.991 1.00 0.98 C ATOM 589 O ALA A 42 13.632 -6.832 2.167 1.00 1.13 O ATOM 590 CB ALA A 42 16.199 -7.426 0.537 1.00 1.41 C ATOM 0 H ALA A 42 15.394 -6.847 -1.724 1.00 1.12 H new ATOM 0 HA ALA A 42 14.402 -8.540 0.316 1.00 1.18 H new ATOM 0 HB1 ALA A 42 16.308 -7.671 1.594 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.780 -8.129 -0.060 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.562 -6.414 0.360 1.00 1.41 H new ATOM 596 N ASP A 43 13.445 -5.481 0.370 1.00 0.74 N ATOM 597 CA ASP A 43 12.558 -4.531 1.018 1.00 0.67 C ATOM 598 C ASP A 43 11.140 -4.778 0.531 1.00 0.64 C ATOM 599 O ASP A 43 10.191 -4.725 1.300 1.00 0.93 O ATOM 600 CB ASP A 43 12.991 -3.101 0.687 1.00 0.63 C ATOM 601 CG ASP A 43 12.259 -2.050 1.500 1.00 1.00 C ATOM 602 OD1 ASP A 43 12.486 -1.973 2.725 1.00 1.18 O ATOM 603 OD2 ASP A 43 11.464 -1.287 0.913 1.00 1.72 O ATOM 0 H ASP A 43 13.691 -5.236 -0.589 1.00 0.74 H new ATOM 0 HA ASP A 43 12.601 -4.661 2.099 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.063 -3.004 0.861 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.822 -2.914 -0.373 1.00 0.63 H new ATOM 608 N ARG A 44 11.033 -5.093 -0.760 1.00 0.54 N ATOM 609 CA ARG A 44 9.753 -5.340 -1.421 1.00 0.61 C ATOM 610 C ARG A 44 8.999 -6.500 -0.782 1.00 0.67 C ATOM 611 O ARG A 44 7.781 -6.438 -0.616 1.00 0.93 O ATOM 612 CB ARG A 44 9.974 -5.610 -2.915 1.00 0.76 C ATOM 613 CG ARG A 44 10.518 -4.404 -3.662 1.00 1.39 C ATOM 614 CD ARG A 44 10.931 -4.740 -5.087 1.00 1.53 C ATOM 615 NE ARG A 44 9.814 -5.233 -5.888 1.00 1.70 N ATOM 616 CZ ARG A 44 8.908 -4.451 -6.469 1.00 2.01 C ATOM 617 NH1 ARG A 44 8.995 -3.133 -6.360 1.00 2.34 N ATOM 618 NH2 ARG A 44 7.927 -4.992 -7.179 1.00 2.70 N ATOM 0 H ARG A 44 11.838 -5.184 -1.380 1.00 0.54 H new ATOM 0 HA ARG A 44 9.142 -4.445 -1.302 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.666 -6.444 -3.029 1.00 0.76 H new ATOM 0 HB3 ARG A 44 9.030 -5.915 -3.367 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.760 -3.621 -3.682 1.00 1.39 H new ATOM 0 HG3 ARG A 44 11.377 -4.004 -3.123 1.00 1.39 H new ATOM 0 HD2 ARG A 44 11.350 -3.852 -5.560 1.00 1.53 H new ATOM 0 HD3 ARG A 44 11.720 -5.492 -5.066 1.00 1.53 H new ATOM 0 HE ARG A 44 9.723 -6.242 -6.010 1.00 1.70 H new ATOM 0 HH11 ARG A 44 9.759 -2.714 -5.829 1.00 2.34 H new ATOM 0 HH12 ARG A 44 8.298 -2.537 -6.807 1.00 2.34 H new ATOM 0 HH21 ARG A 44 7.868 -6.005 -7.279 1.00 2.70 H new ATOM 0 HH22 ARG A 44 7.231 -4.395 -7.625 1.00 2.70 H new ATOM 632 N ARG A 45 9.715 -7.553 -0.419 1.00 0.66 N ATOM 633 CA ARG A 45 9.083 -8.697 0.223 1.00 0.72 C ATOM 634 C ARG A 45 8.568 -8.313 1.605 1.00 0.76 C ATOM 635 O ARG A 45 7.430 -8.620 1.963 1.00 1.28 O ATOM 636 CB ARG A 45 10.048 -9.881 0.323 1.00 0.88 C ATOM 637 CG ARG A 45 10.513 -10.399 -1.028 1.00 1.16 C ATOM 638 CD ARG A 45 11.076 -11.807 -0.930 1.00 1.34 C ATOM 639 NE ARG A 45 12.271 -11.893 -0.088 1.00 1.99 N ATOM 640 CZ ARG A 45 12.758 -13.043 0.383 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.110 -14.180 0.157 1.00 2.84 N ATOM 642 NH2 ARG A 45 13.885 -13.056 1.087 1.00 3.54 N ATOM 0 H ARG A 45 10.722 -7.640 -0.555 1.00 0.66 H new ATOM 0 HA ARG A 45 8.239 -9.004 -0.394 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.918 -9.582 0.908 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.562 -10.691 0.866 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.677 -10.390 -1.728 1.00 1.16 H new ATOM 0 HG3 ARG A 45 11.274 -9.731 -1.431 1.00 1.16 H new ATOM 0 HD2 ARG A 45 10.309 -12.471 -0.530 1.00 1.34 H new ATOM 0 HD3 ARG A 45 11.318 -12.165 -1.931 1.00 1.34 H new ATOM 0 HE ARG A 45 12.757 -11.029 0.151 1.00 1.99 H new ATOM 0 HH11 ARG A 45 11.241 -14.174 -0.376 1.00 2.84 H new ATOM 0 HH12 ARG A 45 12.482 -15.059 0.517 1.00 2.84 H new ATOM 0 HH21 ARG A 45 14.382 -12.184 1.270 1.00 3.54 H new ATOM 0 HH22 ARG A 45 14.253 -13.938 1.445 1.00 3.54 H new ATOM 656 N ALA A 46 9.396 -7.610 2.360 1.00 0.51 N ATOM 657 CA ALA A 46 9.035 -7.195 3.708 1.00 0.53 C ATOM 658 C ALA A 46 7.935 -6.139 3.683 1.00 0.44 C ATOM 659 O ALA A 46 6.947 -6.240 4.416 1.00 0.53 O ATOM 660 CB ALA A 46 10.260 -6.668 4.439 1.00 0.64 C ATOM 0 H ALA A 46 10.325 -7.313 2.062 1.00 0.51 H new ATOM 0 HA ALA A 46 8.652 -8.065 4.241 1.00 0.53 H new ATOM 0 HB1 ALA A 46 9.978 -6.360 5.446 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.015 -7.452 4.497 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.666 -5.813 3.899 1.00 0.64 H new ATOM 666 N VAL A 47 8.105 -5.140 2.821 1.00 0.35 N ATOM 667 CA VAL A 47 7.170 -4.025 2.721 1.00 0.38 C ATOM 668 C VAL A 47 5.781 -4.518 2.319 1.00 0.42 C ATOM 669 O VAL A 47 4.772 -3.993 2.777 1.00 0.50 O ATOM 670 CB VAL A 47 7.675 -2.951 1.710 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.516 -3.406 0.268 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.969 -1.627 1.919 1.00 0.70 C ATOM 0 H VAL A 47 8.892 -5.081 2.175 1.00 0.35 H new ATOM 0 HA VAL A 47 7.105 -3.560 3.705 1.00 0.38 H new ATOM 0 HB VAL A 47 8.739 -2.815 1.903 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.880 -2.627 -0.402 1.00 0.50 H new ATOM 0 HG12 VAL A 47 8.090 -4.319 0.109 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.463 -3.599 0.061 1.00 0.50 H new ATOM 0 HG21 VAL A 47 7.342 -0.898 1.200 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.896 -1.760 1.777 1.00 0.70 H new ATOM 0 HG23 VAL A 47 7.160 -1.269 2.931 1.00 0.70 H new ATOM 682 N CYS A 48 5.742 -5.556 1.496 1.00 0.44 N ATOM 683 CA CYS A 48 4.485 -6.112 1.026 1.00 0.56 C ATOM 684 C CYS A 48 3.852 -7.000 2.100 1.00 0.59 C ATOM 685 O CYS A 48 2.650 -6.925 2.353 1.00 0.68 O ATOM 686 CB CYS A 48 4.717 -6.892 -0.272 1.00 0.68 C ATOM 687 SG CYS A 48 3.214 -7.600 -1.016 1.00 1.78 S ATOM 0 H CYS A 48 6.571 -6.031 1.140 1.00 0.44 H new ATOM 0 HA CYS A 48 3.790 -5.298 0.821 1.00 0.56 H new ATOM 0 HB2 CYS A 48 5.188 -6.229 -0.998 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.422 -7.699 -0.073 1.00 0.68 H new ATOM 692 N SER A 49 4.664 -7.819 2.759 1.00 0.59 N ATOM 693 CA SER A 49 4.162 -8.697 3.807 1.00 0.73 C ATOM 694 C SER A 49 3.723 -7.915 5.046 1.00 0.73 C ATOM 695 O SER A 49 2.912 -8.403 5.832 1.00 0.96 O ATOM 696 CB SER A 49 5.211 -9.745 4.174 1.00 0.84 C ATOM 697 OG SER A 49 5.420 -10.645 3.100 1.00 1.41 O ATOM 0 H SER A 49 5.667 -7.893 2.587 1.00 0.59 H new ATOM 0 HA SER A 49 3.280 -9.204 3.415 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.149 -9.253 4.430 1.00 0.84 H new ATOM 0 HB3 SER A 49 4.888 -10.295 5.058 1.00 0.84 H new ATOM 0 HG SER A 49 6.096 -11.307 3.355 1.00 1.41 H new ATOM 703 N CYS A 50 4.249 -6.709 5.233 1.00 0.57 N ATOM 704 CA CYS A 50 3.773 -5.856 6.316 1.00 0.60 C ATOM 705 C CYS A 50 2.609 -5.008 5.813 1.00 0.55 C ATOM 706 O CYS A 50 1.781 -4.537 6.593 1.00 0.59 O ATOM 707 CB CYS A 50 4.893 -4.966 6.860 1.00 0.63 C ATOM 708 SG CYS A 50 4.872 -4.785 8.679 1.00 1.11 S ATOM 0 H CYS A 50 4.991 -6.306 4.661 1.00 0.57 H new ATOM 0 HA CYS A 50 3.435 -6.489 7.137 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.854 -5.381 6.556 1.00 0.63 H new ATOM 0 HB3 CYS A 50 4.814 -3.979 6.405 1.00 0.63 H new ATOM 713 N LEU A 51 2.540 -4.856 4.493 1.00 0.51 N ATOM 714 CA LEU A 51 1.465 -4.112 3.846 1.00 0.55 C ATOM 715 C LEU A 51 0.120 -4.780 4.117 1.00 0.63 C ATOM 716 O LEU A 51 -0.882 -4.105 4.354 1.00 0.63 O ATOM 717 CB LEU A 51 1.721 -4.037 2.336 1.00 0.66 C ATOM 718 CG LEU A 51 0.648 -3.332 1.508 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.583 -1.855 1.849 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.921 -3.523 0.026 1.00 1.33 C ATOM 0 H LEU A 51 3.225 -5.244 3.845 1.00 0.51 H new ATOM 0 HA LEU A 51 1.440 -3.102 4.255 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.670 -3.527 2.174 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.836 -5.052 1.956 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.318 -3.777 1.748 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.188 -1.376 1.246 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.344 -1.736 2.906 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.547 -1.391 1.640 1.00 1.33 H new ATOM 0 HD21 LEU A 51 0.150 -3.016 -0.554 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.896 -3.103 -0.221 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.913 -4.587 -0.211 1.00 1.33 H new ATOM 732 N LYS A 52 0.112 -6.111 4.102 1.00 0.80 N ATOM 733 CA LYS A 52 -1.112 -6.870 4.345 1.00 0.99 C ATOM 734 C LYS A 52 -1.527 -6.815 5.817 1.00 0.92 C ATOM 735 O LYS A 52 -2.577 -7.335 6.199 1.00 1.02 O ATOM 736 CB LYS A 52 -0.968 -8.324 3.870 1.00 1.32 C ATOM 737 CG LYS A 52 0.187 -9.095 4.493 1.00 1.40 C ATOM 738 CD LYS A 52 0.276 -10.497 3.906 1.00 1.78 C ATOM 739 CE LYS A 52 1.610 -11.166 4.206 1.00 1.79 C ATOM 740 NZ LYS A 52 1.738 -11.585 5.628 1.00 2.30 N ATOM 0 H LYS A 52 0.937 -6.685 3.925 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.904 -6.401 3.762 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -1.896 -8.854 4.085 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.843 -8.326 2.787 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.122 -8.562 4.319 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.050 -9.155 5.573 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -0.533 -11.108 4.307 1.00 1.78 H new ATOM 0 HD3 LYS A 52 0.132 -10.446 2.827 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.726 -12.038 3.563 1.00 1.79 H new ATOM 0 HE3 LYS A 52 2.419 -10.479 3.960 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 2.664 -12.034 5.776 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 1.655 -10.751 6.244 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 0.984 -12.263 5.859 1.00 2.30 H new ATOM 754 N ALA A 53 -0.703 -6.187 6.646 1.00 0.88 N ATOM 755 CA ALA A 53 -1.092 -5.895 8.016 1.00 0.95 C ATOM 756 C ALA A 53 -1.503 -4.437 8.132 1.00 0.91 C ATOM 757 O ALA A 53 -2.448 -4.110 8.834 1.00 1.10 O ATOM 758 CB ALA A 53 0.018 -6.203 9.002 1.00 1.06 C ATOM 0 H ALA A 53 0.234 -5.872 6.394 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.936 -6.538 8.266 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.318 -5.969 10.012 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.276 -7.260 8.941 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.895 -5.601 8.763 1.00 1.06 H new ATOM 764 N ALA A 54 -0.797 -3.566 7.422 1.00 0.79 N ATOM 765 CA ALA A 54 -1.139 -2.149 7.394 1.00 0.87 C ATOM 766 C ALA A 54 -2.541 -1.958 6.825 1.00 0.94 C ATOM 767 O ALA A 54 -3.334 -1.174 7.343 1.00 1.16 O ATOM 768 CB ALA A 54 -0.118 -1.374 6.575 1.00 0.89 C ATOM 0 H ALA A 54 0.016 -3.815 6.858 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.124 -1.764 8.414 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.387 -0.318 6.563 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.870 -1.492 7.020 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -0.105 -1.756 5.554 1.00 0.89 H new ATOM 774 N ALA A 55 -2.846 -2.705 5.770 1.00 0.88 N ATOM 775 CA ALA A 55 -4.164 -2.660 5.150 1.00 0.97 C ATOM 776 C ALA A 55 -5.050 -3.782 5.681 1.00 0.96 C ATOM 777 O ALA A 55 -6.107 -4.075 5.121 1.00 1.07 O ATOM 778 CB ALA A 55 -4.039 -2.750 3.640 1.00 1.11 C ATOM 0 H ALA A 55 -2.195 -3.352 5.325 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.631 -1.709 5.405 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.031 -2.715 3.190 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.445 -1.913 3.274 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.551 -3.687 3.370 1.00 1.11 H new ATOM 784 N GLY A 56 -4.607 -4.409 6.762 1.00 0.96 N ATOM 785 CA GLY A 56 -5.380 -5.468 7.383 1.00 1.05 C ATOM 786 C GLY A 56 -5.770 -5.120 8.805 1.00 0.99 C ATOM 787 O GLY A 56 -6.734 -5.661 9.346 1.00 1.08 O ATOM 0 H GLY A 56 -3.721 -4.202 7.223 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.279 -5.655 6.795 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -4.800 -6.391 7.381 1.00 1.05 H new ATOM 791 N ALA A 57 -5.013 -4.209 9.409 1.00 0.98 N ATOM 792 CA ALA A 57 -5.274 -3.748 10.767 1.00 1.11 C ATOM 793 C ALA A 57 -6.380 -2.698 10.772 1.00 1.10 C ATOM 794 O ALA A 57 -6.786 -2.203 11.823 1.00 1.53 O ATOM 795 CB ALA A 57 -4.007 -3.170 11.380 1.00 1.34 C ATOM 0 H ALA A 57 -4.203 -3.771 8.971 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.599 -4.601 11.363 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -4.216 -2.829 12.394 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.233 -3.937 11.407 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.663 -2.329 10.779 1.00 1.34 H new ATOM 801 N VAL A 58 -6.855 -2.367 9.581 1.00 0.89 N ATOM 802 CA VAL A 58 -7.834 -1.306 9.395 1.00 1.10 C ATOM 803 C VAL A 58 -9.253 -1.754 9.727 1.00 1.08 C ATOM 804 O VAL A 58 -9.647 -2.886 9.450 1.00 1.78 O ATOM 805 CB VAL A 58 -7.792 -0.776 7.949 1.00 1.50 C ATOM 806 CG1 VAL A 58 -6.463 -0.090 7.675 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.028 -1.900 6.947 1.00 2.36 C ATOM 0 H VAL A 58 -6.573 -2.827 8.715 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.564 -0.511 10.090 1.00 1.10 H new ATOM 0 HB VAL A 58 -8.593 -0.046 7.832 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -6.449 0.279 6.649 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -6.336 0.746 8.363 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -5.650 -0.802 7.816 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -7.993 -1.498 5.934 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.254 -2.659 7.063 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.005 -2.348 7.126 1.00 2.36 H new ATOM 817 N ARG A 59 -10.000 -0.859 10.360 1.00 0.92 N ATOM 818 CA ARG A 59 -11.428 -1.050 10.573 1.00 1.16 C ATOM 819 C ARG A 59 -12.150 0.228 10.172 1.00 1.18 C ATOM 820 O ARG A 59 -11.913 1.285 10.752 1.00 1.83 O ATOM 821 CB ARG A 59 -11.767 -1.385 12.034 1.00 1.63 C ATOM 822 CG ARG A 59 -11.076 -2.620 12.597 1.00 2.16 C ATOM 823 CD ARG A 59 -9.708 -2.282 13.157 1.00 2.64 C ATOM 824 NE ARG A 59 -9.778 -1.186 14.122 1.00 3.01 N ATOM 825 CZ ARG A 59 -8.815 -0.286 14.293 1.00 3.85 C ATOM 826 NH1 ARG A 59 -7.679 -0.385 13.618 1.00 4.30 N ATOM 827 NH2 ARG A 59 -8.983 0.711 15.149 1.00 4.65 N ATOM 0 H ARG A 59 -9.635 0.015 10.738 1.00 0.92 H new ATOM 0 HA ARG A 59 -11.749 -1.896 9.965 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -11.506 -0.528 12.656 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -12.845 -1.523 12.117 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -11.693 -3.059 13.381 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -10.975 -3.371 11.813 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -9.283 -3.163 13.637 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -9.038 -2.008 12.342 1.00 2.64 H new ATOM 0 HE ARG A 59 -10.616 -1.107 14.698 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -7.540 -1.155 12.963 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -6.943 0.309 13.753 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -9.852 0.788 15.678 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -8.243 1.401 15.280 1.00 4.65 H new ATOM 841 N GLY A 60 -13.003 0.137 9.165 1.00 1.26 N ATOM 842 CA GLY A 60 -13.680 1.317 8.665 1.00 1.50 C ATOM 843 C GLY A 60 -12.938 1.942 7.501 1.00 1.68 C ATOM 844 O GLY A 60 -13.335 2.992 6.993 1.00 2.01 O ATOM 0 H GLY A 60 -13.240 -0.731 8.684 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -14.690 1.051 8.352 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -13.777 2.048 9.468 1.00 1.50 H new ATOM 848 N ILE A 61 -11.852 1.295 7.093 1.00 1.67 N ATOM 849 CA ILE A 61 -11.046 1.758 5.972 1.00 1.93 C ATOM 850 C ILE A 61 -11.560 1.166 4.680 1.00 1.67 C ATOM 851 O ILE A 61 -11.652 1.829 3.650 1.00 2.21 O ATOM 852 CB ILE A 61 -9.553 1.391 6.177 1.00 2.53 C ATOM 853 CG1 ILE A 61 -8.800 2.557 6.832 1.00 3.45 C ATOM 854 CG2 ILE A 61 -8.877 0.965 4.869 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.301 2.915 8.218 1.00 3.54 C ATOM 0 H ILE A 61 -11.508 0.439 7.528 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.125 2.844 5.918 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.516 0.531 6.846 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -7.742 2.303 6.894 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -8.881 3.434 6.190 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -7.833 0.718 5.063 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.388 0.092 4.463 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -8.929 1.782 4.150 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.718 3.747 8.612 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.351 3.202 8.162 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -9.195 2.053 8.877 1.00 3.54 H new ATOM 867 N ASN A 62 -11.911 -0.084 4.788 1.00 1.52 N ATOM 868 CA ASN A 62 -12.403 -0.882 3.673 1.00 1.54 C ATOM 869 C ASN A 62 -11.314 -1.066 2.627 1.00 1.47 C ATOM 870 O ASN A 62 -10.860 -0.115 1.995 1.00 1.53 O ATOM 871 CB ASN A 62 -13.656 -0.264 3.046 1.00 1.94 C ATOM 872 CG ASN A 62 -14.855 -0.316 3.974 1.00 2.79 C ATOM 873 OD1 ASN A 62 -14.719 -0.263 5.198 1.00 3.22 O ATOM 874 ND2 ASN A 62 -16.040 -0.417 3.403 1.00 3.41 N ATOM 0 H ASN A 62 -11.867 -0.599 5.668 1.00 1.52 H new ATOM 0 HA ASN A 62 -12.681 -1.861 4.064 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -13.451 0.773 2.779 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.893 -0.790 2.121 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -16.882 -0.454 3.978 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -16.114 -0.458 2.387 1.00 3.41 H new ATOM 881 N PRO A 63 -10.896 -2.313 2.413 1.00 1.67 N ATOM 882 CA PRO A 63 -9.773 -2.617 1.539 1.00 1.87 C ATOM 883 C PRO A 63 -10.074 -2.280 0.086 1.00 1.64 C ATOM 884 O PRO A 63 -9.169 -2.193 -0.742 1.00 1.59 O ATOM 885 CB PRO A 63 -9.529 -4.113 1.715 1.00 2.43 C ATOM 886 CG PRO A 63 -10.542 -4.615 2.693 1.00 2.38 C ATOM 887 CD PRO A 63 -11.515 -3.511 2.986 1.00 2.01 C ATOM 0 HA PRO A 63 -8.897 -2.022 1.797 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -9.624 -4.633 0.762 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -8.518 -4.298 2.079 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -11.064 -5.481 2.286 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -10.052 -4.941 3.611 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -12.487 -3.709 2.535 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -11.677 -3.399 4.058 1.00 2.01 H new ATOM 895 N ASN A 64 -11.352 -2.081 -0.207 1.00 1.59 N ATOM 896 CA ASN A 64 -11.773 -1.573 -1.508 1.00 1.51 C ATOM 897 C ASN A 64 -11.116 -0.225 -1.779 1.00 1.16 C ATOM 898 O ASN A 64 -10.670 0.046 -2.888 1.00 1.11 O ATOM 899 CB ASN A 64 -13.296 -1.419 -1.573 1.00 1.72 C ATOM 900 CG ASN A 64 -14.041 -2.740 -1.533 1.00 2.37 C ATOM 901 OD1 ASN A 64 -13.603 -3.703 -0.903 1.00 3.10 O ATOM 902 ND2 ASN A 64 -15.175 -2.795 -2.215 1.00 2.83 N ATOM 0 H ASN A 64 -12.119 -2.264 0.441 1.00 1.59 H new ATOM 0 HA ASN A 64 -11.463 -2.292 -2.266 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -13.626 -0.799 -0.739 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -13.561 -0.889 -2.488 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -15.719 -3.658 -2.231 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -15.504 -1.975 -2.724 1.00 2.83 H new ATOM 909 N ASN A 65 -11.037 0.605 -0.741 1.00 0.99 N ATOM 910 CA ASN A 65 -10.414 1.919 -0.849 1.00 0.74 C ATOM 911 C ASN A 65 -8.904 1.765 -0.913 1.00 0.69 C ATOM 912 O ASN A 65 -8.211 2.543 -1.565 1.00 0.60 O ATOM 913 CB ASN A 65 -10.790 2.808 0.339 1.00 0.74 C ATOM 914 CG ASN A 65 -12.275 3.129 0.411 1.00 0.95 C ATOM 915 OD1 ASN A 65 -13.123 2.357 -0.037 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.598 4.279 0.979 1.00 1.13 N ATOM 0 H ASN A 65 -11.399 0.388 0.188 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.776 2.395 -1.760 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.488 2.314 1.262 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.228 3.740 0.278 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.578 4.552 1.057 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.867 4.893 1.339 1.00 1.13 H new ATOM 923 N ALA A 66 -8.407 0.734 -0.242 1.00 0.93 N ATOM 924 CA ALA A 66 -6.976 0.479 -0.177 1.00 1.07 C ATOM 925 C ALA A 66 -6.430 -0.013 -1.516 1.00 1.02 C ATOM 926 O ALA A 66 -5.298 0.303 -1.877 1.00 1.05 O ATOM 927 CB ALA A 66 -6.673 -0.518 0.928 1.00 1.43 C ATOM 0 H ALA A 66 -8.978 0.059 0.267 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.476 1.421 0.050 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -5.599 -0.702 0.968 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -7.008 -0.115 1.884 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -7.194 -1.454 0.726 1.00 1.43 H new ATOM 933 N GLU A 67 -7.223 -0.788 -2.253 1.00 1.07 N ATOM 934 CA GLU A 67 -6.803 -1.240 -3.577 1.00 1.12 C ATOM 935 C GLU A 67 -7.212 -0.229 -4.640 1.00 0.94 C ATOM 936 O GLU A 67 -6.757 -0.289 -5.785 1.00 1.00 O ATOM 937 CB GLU A 67 -7.375 -2.619 -3.913 1.00 1.50 C ATOM 938 CG GLU A 67 -8.887 -2.653 -4.059 1.00 1.80 C ATOM 939 CD GLU A 67 -9.371 -3.957 -4.652 1.00 2.05 C ATOM 940 OE1 GLU A 67 -9.381 -4.973 -3.931 1.00 2.41 O ATOM 941 OE2 GLU A 67 -9.724 -3.979 -5.851 1.00 2.41 O ATOM 0 H GLU A 67 -8.145 -1.112 -1.962 1.00 1.07 H new ATOM 0 HA GLU A 67 -5.716 -1.324 -3.564 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -6.925 -2.969 -4.842 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -7.082 -3.321 -3.132 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.349 -2.506 -3.083 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -9.209 -1.826 -4.692 1.00 1.80 H new ATOM 948 N ALA A 68 -8.079 0.698 -4.258 1.00 0.86 N ATOM 949 CA ALA A 68 -8.456 1.796 -5.132 1.00 0.92 C ATOM 950 C ALA A 68 -7.286 2.757 -5.279 1.00 0.89 C ATOM 951 O ALA A 68 -7.087 3.365 -6.332 1.00 1.14 O ATOM 952 CB ALA A 68 -9.672 2.521 -4.576 1.00 1.00 C ATOM 0 H ALA A 68 -8.535 0.710 -3.346 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.714 1.398 -6.113 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.943 3.341 -5.241 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.507 1.825 -4.500 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.439 2.918 -3.588 1.00 1.00 H new ATOM 958 N LEU A 69 -6.505 2.853 -4.211 1.00 0.79 N ATOM 959 CA LEU A 69 -5.366 3.759 -4.144 1.00 1.01 C ATOM 960 C LEU A 69 -4.354 3.520 -5.282 1.00 1.08 C ATOM 961 O LEU A 69 -4.112 4.426 -6.081 1.00 1.37 O ATOM 962 CB LEU A 69 -4.702 3.643 -2.768 1.00 1.16 C ATOM 963 CG LEU A 69 -3.432 4.463 -2.578 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.675 5.912 -2.956 1.00 2.29 C ATOM 965 CD2 LEU A 69 -2.950 4.357 -1.140 1.00 1.96 C ATOM 0 H LEU A 69 -6.644 2.303 -3.364 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.734 4.776 -4.280 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.424 3.944 -2.009 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.467 2.594 -2.585 1.00 1.16 H new ATOM 0 HG LEU A 69 -2.657 4.065 -3.233 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -2.758 6.484 -2.814 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -3.981 5.969 -4.001 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -4.461 6.326 -2.325 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -2.042 4.947 -1.016 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.722 4.734 -0.469 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.740 3.314 -0.903 1.00 1.96 H new ATOM 977 N PRO A 70 -3.763 2.307 -5.406 1.00 0.88 N ATOM 978 CA PRO A 70 -2.790 2.024 -6.472 1.00 0.91 C ATOM 979 C PRO A 70 -3.395 2.192 -7.865 1.00 1.02 C ATOM 980 O PRO A 70 -2.673 2.371 -8.849 1.00 1.20 O ATOM 981 CB PRO A 70 -2.390 0.564 -6.232 1.00 0.77 C ATOM 982 CG PRO A 70 -3.471 -0.002 -5.380 1.00 0.78 C ATOM 983 CD PRO A 70 -3.973 1.135 -4.541 1.00 0.78 C ATOM 0 HA PRO A 70 -1.946 2.713 -6.440 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.304 0.020 -7.172 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.422 0.497 -5.736 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.271 -0.419 -5.991 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -3.092 -0.811 -4.755 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.024 1.010 -4.280 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -3.420 1.220 -3.605 1.00 0.78 H new ATOM 991 N GLY A 71 -4.720 2.138 -7.937 1.00 1.06 N ATOM 992 CA GLY A 71 -5.405 2.333 -9.195 1.00 1.36 C ATOM 993 C GLY A 71 -5.396 3.786 -9.623 1.00 1.09 C ATOM 994 O GLY A 71 -5.242 4.088 -10.806 1.00 1.18 O ATOM 0 H GLY A 71 -5.332 1.962 -7.140 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.930 1.725 -9.965 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.435 1.987 -9.105 1.00 1.36 H new ATOM 998 N LYS A 72 -5.561 4.690 -8.662 1.00 0.90 N ATOM 999 CA LYS A 72 -5.547 6.120 -8.953 1.00 0.78 C ATOM 1000 C LYS A 72 -4.145 6.567 -9.334 1.00 0.73 C ATOM 1001 O LYS A 72 -3.952 7.320 -10.287 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.018 6.936 -7.743 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.317 6.449 -7.120 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.443 6.378 -8.136 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.653 7.706 -8.849 1.00 2.07 C ATOM 1006 NZ LYS A 72 -8.928 8.818 -7.904 1.00 2.61 N ATOM 0 H LYS A 72 -5.705 4.459 -7.679 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.230 6.293 -9.785 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.237 6.919 -6.983 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.143 7.975 -8.048 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.162 5.463 -6.681 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.603 7.118 -6.308 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.220 5.604 -8.870 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.366 6.086 -7.635 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -7.767 7.944 -9.437 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.484 7.613 -9.548 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -9.180 9.674 -8.439 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -9.716 8.555 -7.279 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -8.080 9.005 -7.332 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.167 6.081 -8.583 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.779 6.482 -8.768 1.00 0.63 C ATOM 1022 C CYS A 73 -1.175 5.826 -10.006 1.00 0.62 C ATOM 1023 O CYS A 73 -0.128 6.254 -10.489 1.00 0.77 O ATOM 1024 CB CYS A 73 -0.984 6.128 -7.512 1.00 0.72 C ATOM 1025 SG CYS A 73 -1.825 6.644 -5.983 1.00 1.65 S ATOM 0 H CYS A 73 -3.311 5.403 -7.834 1.00 0.63 H new ATOM 0 HA CYS A 73 -1.737 7.560 -8.926 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -0.816 5.051 -7.484 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.004 6.602 -7.561 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.849 4.795 -10.514 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.419 4.143 -11.740 1.00 0.67 C ATOM 1032 C GLY A 74 -0.014 3.586 -11.646 1.00 0.66 C ATOM 1033 O GLY A 74 0.853 3.925 -12.451 1.00 0.96 O ATOM 0 H GLY A 74 -2.690 4.398 -10.095 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.110 3.335 -11.978 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -1.468 4.857 -12.562 1.00 0.67 H new ATOM 1037 N VAL A 75 0.218 2.735 -10.658 1.00 0.55 N ATOM 1038 CA VAL A 75 1.543 2.160 -10.452 1.00 0.61 C ATOM 1039 C VAL A 75 1.651 0.758 -11.043 1.00 0.80 C ATOM 1040 O VAL A 75 2.695 0.117 -10.925 1.00 1.70 O ATOM 1041 CB VAL A 75 1.930 2.104 -8.957 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.891 3.223 -8.601 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.698 2.169 -8.066 1.00 0.51 C ATOM 0 H VAL A 75 -0.488 2.427 -9.989 1.00 0.55 H new ATOM 0 HA VAL A 75 2.236 2.823 -10.970 1.00 0.61 H new ATOM 0 HB VAL A 75 2.429 1.150 -8.785 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.147 3.160 -7.543 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.797 3.129 -9.200 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.420 4.185 -8.804 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.003 2.128 -7.020 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.164 3.101 -8.252 1.00 0.51 H new ATOM 0 HG23 VAL A 75 0.044 1.325 -8.287 1.00 0.51 H new ATOM 1053 N ASN A 76 0.573 0.302 -11.685 1.00 0.78 N ATOM 1054 CA ASN A 76 0.509 -1.047 -12.254 1.00 0.90 C ATOM 1055 C ASN A 76 0.973 -2.079 -11.228 1.00 0.81 C ATOM 1056 O ASN A 76 2.054 -2.659 -11.345 1.00 0.99 O ATOM 1057 CB ASN A 76 1.354 -1.139 -13.532 1.00 1.23 C ATOM 1058 CG ASN A 76 1.133 -2.438 -14.290 1.00 1.70 C ATOM 1059 OD1 ASN A 76 0.057 -3.030 -14.226 1.00 2.27 O ATOM 1060 ND2 ASN A 76 2.147 -2.883 -15.015 1.00 2.31 N ATOM 0 H ASN A 76 -0.274 0.852 -11.825 1.00 0.78 H new ATOM 0 HA ASN A 76 -0.527 -1.260 -12.516 1.00 0.90 H new ATOM 0 HB2 ASN A 76 1.114 -0.298 -14.183 1.00 1.23 H new ATOM 0 HB3 ASN A 76 2.409 -1.050 -13.272 1.00 1.23 H new ATOM 0 HD21 ASN A 76 2.052 -3.748 -15.548 1.00 2.31 H new ATOM 0 HD22 ASN A 76 3.023 -2.361 -15.041 1.00 2.31 H new ATOM 1067 N ILE A 77 0.149 -2.291 -10.211 1.00 0.78 N ATOM 1068 CA ILE A 77 0.546 -3.081 -9.055 1.00 0.91 C ATOM 1069 C ILE A 77 0.325 -4.579 -9.301 1.00 0.85 C ATOM 1070 O ILE A 77 -0.778 -5.011 -9.628 1.00 0.82 O ATOM 1071 CB ILE A 77 -0.202 -2.608 -7.784 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.258 -3.390 -6.553 1.00 1.12 C ATOM 1073 CG2 ILE A 77 -1.711 -2.715 -7.962 1.00 1.83 C ATOM 1074 CD1 ILE A 77 -0.353 -2.897 -5.257 1.00 1.17 C ATOM 0 H ILE A 77 -0.802 -1.925 -10.164 1.00 0.78 H new ATOM 0 HA ILE A 77 1.614 -2.929 -8.896 1.00 0.91 H new ATOM 0 HB ILE A 77 0.043 -1.558 -7.627 1.00 1.19 H new ATOM 0 HG12 ILE A 77 0.006 -4.442 -6.686 1.00 1.12 H new ATOM 0 HG13 ILE A 77 1.344 -3.329 -6.479 1.00 1.12 H new ATOM 0 HG21 ILE A 77 -2.209 -2.376 -7.054 1.00 1.83 H new ATOM 0 HG22 ILE A 77 -2.023 -2.093 -8.801 1.00 1.83 H new ATOM 0 HG23 ILE A 77 -1.981 -3.752 -8.159 1.00 1.83 H new ATOM 0 HD11 ILE A 77 0.019 -3.498 -4.427 1.00 1.17 H new ATOM 0 HD12 ILE A 77 -0.080 -1.854 -5.100 1.00 1.17 H new ATOM 0 HD13 ILE A 77 -1.438 -2.984 -5.310 1.00 1.17 H new ATOM 1086 N PRO A 78 1.396 -5.386 -9.173 1.00 0.96 N ATOM 1087 CA PRO A 78 1.353 -6.827 -9.438 1.00 1.03 C ATOM 1088 C PRO A 78 0.734 -7.629 -8.292 1.00 0.91 C ATOM 1089 O PRO A 78 0.494 -8.830 -8.425 1.00 1.28 O ATOM 1090 CB PRO A 78 2.834 -7.213 -9.611 1.00 1.24 C ATOM 1091 CG PRO A 78 3.611 -5.937 -9.526 1.00 1.35 C ATOM 1092 CD PRO A 78 2.744 -4.960 -8.789 1.00 1.15 C ATOM 0 HA PRO A 78 0.731 -7.048 -10.305 1.00 1.03 H new ATOM 0 HB2 PRO A 78 3.147 -7.912 -8.835 1.00 1.24 H new ATOM 0 HB3 PRO A 78 2.998 -7.706 -10.569 1.00 1.24 H new ATOM 0 HG2 PRO A 78 4.554 -6.091 -9.002 1.00 1.35 H new ATOM 0 HG3 PRO A 78 3.856 -5.565 -10.521 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.896 -5.014 -7.711 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.946 -3.931 -9.088 1.00 1.15 H new ATOM 1100 N TYR A 79 0.481 -6.970 -7.173 1.00 0.89 N ATOM 1101 CA TYR A 79 -0.104 -7.630 -6.013 1.00 0.80 C ATOM 1102 C TYR A 79 -1.223 -6.779 -5.428 1.00 0.85 C ATOM 1103 O TYR A 79 -1.648 -5.800 -6.041 1.00 1.07 O ATOM 1104 CB TYR A 79 0.966 -7.920 -4.951 1.00 0.91 C ATOM 1105 CG TYR A 79 1.789 -6.715 -4.551 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.297 -5.771 -3.657 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.065 -6.529 -5.065 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.055 -4.675 -3.292 1.00 1.13 C ATOM 1109 CE2 TYR A 79 3.827 -5.436 -4.705 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.318 -4.512 -3.818 1.00 1.10 C ATOM 1111 OH TYR A 79 4.073 -3.420 -3.461 1.00 1.38 O ATOM 0 H TYR A 79 0.671 -5.977 -7.041 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.525 -8.582 -6.337 1.00 0.80 H new ATOM 0 HB2 TYR A 79 0.480 -8.324 -4.063 1.00 0.91 H new ATOM 0 HB3 TYR A 79 1.635 -8.693 -5.328 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.308 -5.896 -3.242 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.468 -7.252 -5.759 1.00 0.84 H new ATOM 0 HE1 TYR A 79 1.659 -3.949 -2.597 1.00 1.13 H new ATOM 0 HE2 TYR A 79 4.817 -5.305 -5.116 1.00 0.99 H new ATOM 0 HH TYR A 79 4.938 -3.456 -3.920 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.700 -7.154 -4.250 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.774 -6.424 -3.600 1.00 1.11 C ATOM 1123 C LYS A 80 -2.560 -6.342 -2.099 1.00 1.06 C ATOM 1124 O LYS A 80 -1.627 -6.932 -1.561 1.00 1.49 O ATOM 1125 CB LYS A 80 -4.130 -7.069 -3.904 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.663 -6.720 -5.282 1.00 2.02 C ATOM 1127 CD LYS A 80 -4.856 -5.221 -5.420 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.285 -4.831 -6.825 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.514 -5.547 -7.259 1.00 3.48 N ATOM 0 H LYS A 80 -1.359 -7.960 -3.726 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.769 -5.410 -3.999 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -4.037 -8.152 -3.821 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.852 -6.753 -3.151 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -3.970 -7.074 -6.045 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.611 -7.231 -5.450 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -5.607 -4.884 -4.705 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -3.926 -4.711 -5.170 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -5.461 -3.756 -6.864 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -4.476 -5.047 -7.523 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -6.845 -5.153 -8.163 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.303 -6.558 -7.379 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.256 -5.432 -6.539 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.449 -5.613 -1.438 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.356 -5.385 0.000 1.00 1.19 C ATOM 1145 C ILE A 81 -4.203 -6.393 0.771 1.00 1.22 C ATOM 1146 O ILE A 81 -4.513 -6.198 1.949 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.778 -3.937 0.367 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -5.074 -3.511 -0.347 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -2.661 -2.964 0.027 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -6.333 -4.156 0.190 1.00 2.55 C ATOM 0 H ILE A 81 -4.252 -5.164 -1.880 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.313 -5.521 0.286 1.00 1.19 H new ATOM 0 HB ILE A 81 -3.970 -3.918 1.440 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -5.176 -2.428 -0.271 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -4.984 -3.749 -1.407 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -2.968 -1.951 0.289 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -1.765 -3.228 0.589 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -2.448 -3.014 -1.041 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -7.194 -3.797 -0.373 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -6.259 -5.239 0.088 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -6.454 -3.898 1.242 1.00 2.55 H new ATOM 1162 N SER A 82 -4.570 -7.468 0.096 1.00 1.31 N ATOM 1163 CA SER A 82 -5.403 -8.499 0.685 1.00 1.50 C ATOM 1164 C SER A 82 -4.653 -9.263 1.774 1.00 1.47 C ATOM 1165 O SER A 82 -3.459 -9.534 1.650 1.00 1.81 O ATOM 1166 CB SER A 82 -5.890 -9.440 -0.411 1.00 1.79 C ATOM 1167 OG SER A 82 -5.002 -9.418 -1.521 1.00 2.45 O ATOM 0 H SER A 82 -4.300 -7.650 -0.871 1.00 1.31 H new ATOM 0 HA SER A 82 -6.264 -8.029 1.161 1.00 1.50 H new ATOM 0 HB2 SER A 82 -5.966 -10.454 -0.019 1.00 1.79 H new ATOM 0 HB3 SER A 82 -6.889 -9.146 -0.732 1.00 1.79 H new ATOM 0 HG SER A 82 -4.320 -10.113 -1.408 1.00 2.45 H new ATOM 1173 N THR A 83 -5.375 -9.605 2.832 1.00 1.47 N ATOM 1174 CA THR A 83 -4.802 -10.272 3.992 1.00 1.50 C ATOM 1175 C THR A 83 -4.137 -11.596 3.607 1.00 1.59 C ATOM 1176 O THR A 83 -3.062 -11.935 4.106 1.00 1.72 O ATOM 1177 CB THR A 83 -5.896 -10.532 5.043 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.771 -9.394 5.121 1.00 2.04 O ATOM 1179 CG2 THR A 83 -5.286 -10.801 6.410 1.00 1.68 C ATOM 0 H THR A 83 -6.376 -9.427 2.910 1.00 1.47 H new ATOM 0 HA THR A 83 -4.038 -9.616 4.409 1.00 1.50 H new ATOM 0 HB THR A 83 -6.462 -11.413 4.739 1.00 1.65 H new ATOM 0 HG1 THR A 83 -7.468 -9.562 5.789 1.00 2.04 H new ATOM 0 HG21 THR A 83 -6.081 -10.981 7.134 1.00 1.68 H new ATOM 0 HG22 THR A 83 -4.640 -11.677 6.354 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.699 -9.937 6.723 1.00 1.68 H new ATOM 1187 N SER A 84 -4.772 -12.340 2.712 1.00 1.68 N ATOM 1188 CA SER A 84 -4.222 -13.600 2.251 1.00 1.82 C ATOM 1189 C SER A 84 -3.472 -13.391 0.942 1.00 1.55 C ATOM 1190 O SER A 84 -3.965 -13.710 -0.143 1.00 1.77 O ATOM 1191 CB SER A 84 -5.323 -14.648 2.085 1.00 2.22 C ATOM 1192 OG SER A 84 -4.781 -15.908 1.714 1.00 2.76 O ATOM 0 H SER A 84 -5.668 -12.090 2.293 1.00 1.68 H new ATOM 0 HA SER A 84 -3.522 -13.970 3.000 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.877 -14.748 3.018 1.00 2.22 H new ATOM 0 HB3 SER A 84 -6.033 -14.317 1.327 1.00 2.22 H new ATOM 0 HG SER A 84 -5.506 -16.560 1.616 1.00 2.76 H new ATOM 1198 N THR A 85 -2.313 -12.777 1.054 1.00 1.28 N ATOM 1199 CA THR A 85 -1.413 -12.596 -0.069 1.00 1.11 C ATOM 1200 C THR A 85 0.028 -12.641 0.424 1.00 0.96 C ATOM 1201 O THR A 85 0.475 -11.749 1.143 1.00 1.52 O ATOM 1202 CB THR A 85 -1.690 -11.259 -0.789 1.00 1.30 C ATOM 1203 OG1 THR A 85 -3.049 -11.240 -1.254 1.00 2.05 O ATOM 1204 CG2 THR A 85 -0.745 -11.054 -1.967 1.00 0.91 C ATOM 0 H THR A 85 -1.966 -12.387 1.930 1.00 1.28 H new ATOM 0 HA THR A 85 -1.578 -13.402 -0.784 1.00 1.11 H new ATOM 0 HB THR A 85 -1.525 -10.449 -0.079 1.00 1.30 H new ATOM 0 HG1 THR A 85 -3.469 -12.107 -1.073 1.00 2.05 H new ATOM 0 HG21 THR A 85 -0.968 -10.103 -2.451 1.00 0.91 H new ATOM 0 HG22 THR A 85 0.285 -11.047 -1.610 1.00 0.91 H new ATOM 0 HG23 THR A 85 -0.875 -11.865 -2.683 1.00 0.91 H new ATOM 1212 N ASN A 86 0.739 -13.701 0.077 1.00 1.23 N ATOM 1213 CA ASN A 86 2.110 -13.859 0.528 1.00 1.36 C ATOM 1214 C ASN A 86 3.045 -13.055 -0.361 1.00 1.10 C ATOM 1215 O ASN A 86 2.972 -13.116 -1.590 1.00 1.53 O ATOM 1216 CB ASN A 86 2.530 -15.338 0.564 1.00 1.81 C ATOM 1217 CG ASN A 86 3.067 -15.864 -0.757 1.00 2.40 C ATOM 1218 OD1 ASN A 86 4.271 -15.796 -1.021 1.00 3.05 O ATOM 1219 ND2 ASN A 86 2.189 -16.392 -1.588 1.00 2.73 N ATOM 0 H ASN A 86 0.392 -14.459 -0.511 1.00 1.23 H new ATOM 0 HA ASN A 86 2.176 -13.480 1.548 1.00 1.36 H new ATOM 0 HB2 ASN A 86 3.293 -15.469 1.332 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.672 -15.941 0.861 1.00 1.81 H new ATOM 0 HD21 ASN A 86 2.497 -16.763 -2.487 1.00 2.73 H new ATOM 0 HD22 ASN A 86 1.202 -16.429 -1.332 1.00 2.73 H new ATOM 1226 N CYS A 87 3.904 -12.281 0.266 1.00 0.87 N ATOM 1227 CA CYS A 87 4.864 -11.471 -0.456 1.00 0.72 C ATOM 1228 C CYS A 87 6.265 -12.006 -0.205 1.00 0.83 C ATOM 1229 O CYS A 87 7.262 -11.312 -0.391 1.00 1.10 O ATOM 1230 CB CYS A 87 4.740 -10.020 -0.015 1.00 0.90 C ATOM 1231 SG CYS A 87 3.031 -9.388 -0.083 1.00 1.71 S ATOM 0 H CYS A 87 3.958 -12.195 1.281 1.00 0.87 H new ATOM 0 HA CYS A 87 4.665 -11.519 -1.527 1.00 0.72 H new ATOM 0 HB2 CYS A 87 5.115 -9.924 1.004 1.00 0.90 H new ATOM 0 HB3 CYS A 87 5.375 -9.400 -0.648 1.00 0.90 H new ATOM 1236 N ASN A 88 6.317 -13.272 0.191 1.00 0.91 N ATOM 1237 CA ASN A 88 7.571 -13.945 0.512 1.00 1.09 C ATOM 1238 C ASN A 88 8.352 -14.266 -0.759 1.00 1.10 C ATOM 1239 O ASN A 88 9.548 -14.544 -0.718 1.00 1.24 O ATOM 1240 CB ASN A 88 7.276 -15.224 1.313 1.00 1.38 C ATOM 1241 CG ASN A 88 8.516 -16.049 1.613 1.00 2.04 C ATOM 1242 OD1 ASN A 88 9.217 -15.804 2.594 1.00 2.76 O ATOM 1243 ND2 ASN A 88 8.769 -17.060 0.794 1.00 2.55 N ATOM 0 H ASN A 88 5.492 -13.861 0.299 1.00 0.91 H new ATOM 0 HA ASN A 88 8.187 -13.282 1.119 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.794 -14.952 2.252 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.567 -15.837 0.756 1.00 1.38 H new ATOM 0 HD21 ASN A 88 9.569 -17.668 0.967 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.163 -17.230 -0.009 1.00 2.55 H new ATOM 1250 N SER A 89 7.673 -14.197 -1.896 1.00 1.12 N ATOM 1251 CA SER A 89 8.302 -14.483 -3.171 1.00 1.29 C ATOM 1252 C SER A 89 8.264 -13.249 -4.061 1.00 1.42 C ATOM 1253 O SER A 89 9.262 -12.531 -4.164 1.00 2.21 O ATOM 1254 CB SER A 89 7.606 -15.664 -3.847 1.00 1.53 C ATOM 1255 OG SER A 89 7.612 -16.801 -3.000 1.00 2.11 O ATOM 0 H SER A 89 6.687 -13.945 -1.958 1.00 1.12 H new ATOM 0 HA SER A 89 9.345 -14.752 -3.002 1.00 1.29 H new ATOM 0 HB2 SER A 89 6.579 -15.394 -4.095 1.00 1.53 H new ATOM 0 HB3 SER A 89 8.109 -15.900 -4.785 1.00 1.53 H new ATOM 0 HG SER A 89 7.161 -17.546 -3.449 1.00 2.11 H new ATOM 1261 N ILE A 90 7.089 -13.005 -4.659 1.00 1.14 N ATOM 1262 CA ILE A 90 6.839 -11.855 -5.543 1.00 1.35 C ATOM 1263 C ILE A 90 8.056 -11.510 -6.411 1.00 1.76 C ATOM 1264 O ILE A 90 8.680 -12.401 -6.995 1.00 2.17 O ATOM 1265 CB ILE A 90 6.344 -10.607 -4.753 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.346 -10.176 -3.675 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.988 -10.894 -4.123 1.00 1.14 C ATOM 1268 CD1 ILE A 90 6.980 -8.876 -2.989 1.00 0.97 C ATOM 0 H ILE A 90 6.275 -13.608 -4.541 1.00 1.14 H new ATOM 0 HA ILE A 90 6.037 -12.159 -6.216 1.00 1.35 H new ATOM 0 HB ILE A 90 6.250 -9.784 -5.461 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.421 -10.964 -2.925 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.332 -10.072 -4.128 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.649 -10.016 -3.573 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.267 -11.133 -4.905 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.076 -11.739 -3.440 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.734 -8.635 -2.240 1.00 0.97 H new ATOM 0 HD12 ILE A 90 6.934 -8.076 -3.727 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.009 -8.981 -2.506 1.00 0.97 H new