USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 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 10 CYS SG : rot 180:sc= 0.307 USER MOD Set 1.2: A 81 THR OG1 : rot -47:sc= 0.336 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.42 K(o=-3,f=-6.5!) USER MOD Set 2.2: A 83 GLN : amide:sc= -1.61 K(o=-3,f=-14!) USER MOD Single : A 14 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0.195 (180deg=0.0497) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= 0.0119 F(o=-0.6,f=0.012) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.24 (180deg=-0.262) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.014) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.8!) USER MOD Single : A 58 THR OG1 : rot 78:sc= 0.0544 USER MOD Single : A 65 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.919 9.135 -5.943 1.00 0.00 N ATOM 83 CA VAL A 7 8.718 7.990 -6.823 1.00 0.00 C ATOM 84 C VAL A 7 7.359 7.342 -6.582 1.00 0.00 C ATOM 85 O VAL A 7 7.073 6.868 -5.482 1.00 0.00 O ATOM 86 CB VAL A 7 9.820 6.931 -6.627 1.00 0.00 C ATOM 87 CG1 VAL A 7 11.122 7.389 -7.265 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.018 6.634 -5.148 1.00 0.00 C ATOM 0 HA VAL A 7 8.762 8.366 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 7 9.506 6.011 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.888 6.628 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.969 7.545 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.444 8.323 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.800 5.884 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.309 7.547 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.087 6.258 -4.725 1.00 0.00 H new ATOM 98 N GLN A 8 6.526 7.324 -7.616 1.00 0.00 N ATOM 99 CA GLN A 8 5.197 6.734 -7.518 1.00 0.00 C ATOM 100 C GLN A 8 5.144 5.388 -8.235 1.00 0.00 C ATOM 101 O GLN A 8 5.719 5.224 -9.309 1.00 0.00 O ATOM 102 CB GLN A 8 4.149 7.680 -8.109 1.00 0.00 C ATOM 103 CG GLN A 8 2.722 7.321 -7.729 1.00 0.00 C ATOM 104 CD GLN A 8 1.693 8.103 -8.523 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.893 7.528 -9.261 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.711 9.422 -8.377 1.00 0.00 N ATOM 0 H GLN A 8 6.748 7.712 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 8 4.977 6.573 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.360 8.696 -7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.239 7.675 -9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.565 6.254 -7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.575 7.509 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.392 9.857 -7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.044 10.001 -8.887 1.00 0.00 H new ATOM 115 N ARG A 9 4.450 4.428 -7.630 1.00 0.00 N ATOM 116 CA ARG A 9 4.324 3.097 -8.212 1.00 0.00 C ATOM 117 C ARG A 9 2.984 2.467 -7.846 1.00 0.00 C ATOM 118 O ARG A 9 2.530 2.569 -6.706 1.00 0.00 O ATOM 119 CB ARG A 9 5.472 2.201 -7.740 1.00 0.00 C ATOM 120 CG ARG A 9 6.442 1.823 -8.846 1.00 0.00 C ATOM 121 CD ARG A 9 7.765 1.329 -8.282 1.00 0.00 C ATOM 122 NE ARG A 9 8.476 2.378 -7.556 1.00 0.00 N ATOM 123 CZ ARG A 9 9.692 2.227 -7.034 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.333 1.072 -7.158 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.266 3.232 -6.391 1.00 0.00 N ATOM 0 H ARG A 9 3.968 4.547 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 9 4.372 3.195 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.019 2.712 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.057 1.292 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.999 1.047 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.618 2.686 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.583 0.486 -7.615 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.391 0.962 -9.095 1.00 0.00 H new ATOM 0 HE ARG A 9 8.014 3.280 -7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.895 0.296 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.264 0.960 -6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.777 4.122 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.197 3.116 -5.991 1.00 0.00 H new ATOM 139 N CYS A 10 2.355 1.817 -8.819 1.00 0.00 N ATOM 140 CA CYS A 10 1.067 1.171 -8.597 1.00 0.00 C ATOM 141 C CYS A 10 1.254 -0.281 -8.165 1.00 0.00 C ATOM 142 O CYS A 10 1.625 -1.136 -8.971 1.00 0.00 O ATOM 143 CB CYS A 10 0.218 1.231 -9.869 1.00 0.00 C ATOM 144 SG CYS A 10 -1.525 1.614 -9.574 1.00 0.00 S ATOM 0 H CYS A 10 2.716 1.724 -9.768 1.00 0.00 H new ATOM 0 HA CYS A 10 0.553 1.706 -7.799 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.636 1.983 -10.537 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.287 0.273 -10.385 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.160 1.645 -10.708 1.00 0.00 H new ATOM 150 N VAL A 11 0.999 -0.551 -6.890 1.00 0.00 N ATOM 151 CA VAL A 11 1.141 -1.897 -6.350 1.00 0.00 C ATOM 152 C VAL A 11 -0.162 -2.680 -6.474 1.00 0.00 C ATOM 153 O VAL A 11 -1.250 -2.120 -6.328 1.00 0.00 O ATOM 154 CB VAL A 11 1.569 -1.868 -4.872 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.969 -1.289 -4.731 1.00 0.00 C ATOM 156 CG2 VAL A 11 0.570 -1.076 -4.042 1.00 0.00 C ATOM 0 H VAL A 11 0.693 0.145 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 11 1.916 -2.391 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 11 1.586 -2.892 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.253 -1.277 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.675 -1.903 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.983 -0.272 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.889 -1.067 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.517 -0.053 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.413 -1.540 -4.116 1.00 0.00 H new ATOM 166 N ILE A 12 -0.046 -3.976 -6.741 1.00 0.00 N ATOM 167 CA ILE A 12 -1.214 -4.835 -6.882 1.00 0.00 C ATOM 168 C ILE A 12 -1.155 -6.004 -5.904 1.00 0.00 C ATOM 169 O ILE A 12 -0.392 -6.949 -6.098 1.00 0.00 O ATOM 170 CB ILE A 12 -1.339 -5.387 -8.315 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.164 -4.262 -9.336 1.00 0.00 C ATOM 172 CG2 ILE A 12 -2.683 -6.076 -8.502 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.245 -4.150 -9.876 1.00 0.00 C ATOM 0 H ILE A 12 0.846 -4.454 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.087 -4.220 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.550 -6.122 -8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.851 -4.426 -10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.443 -3.316 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.756 -6.461 -9.519 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.770 -6.901 -7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.486 -5.361 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.295 -3.332 -10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.935 -3.955 -9.055 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.521 -5.082 -10.368 1.00 0.00 H new ATOM 185 N ILE A 13 -1.963 -5.930 -4.852 1.00 0.00 N ATOM 186 CA ILE A 13 -2.000 -6.981 -3.843 1.00 0.00 C ATOM 187 C ILE A 13 -3.254 -7.838 -3.983 1.00 0.00 C ATOM 188 O ILE A 13 -4.349 -7.323 -4.209 1.00 0.00 O ATOM 189 CB ILE A 13 -1.952 -6.396 -2.418 1.00 0.00 C ATOM 190 CG1 ILE A 13 -3.123 -5.437 -2.196 1.00 0.00 C ATOM 191 CG2 ILE A 13 -0.627 -5.685 -2.183 1.00 0.00 C ATOM 192 CD1 ILE A 13 -3.172 -4.857 -0.799 1.00 0.00 C ATOM 0 H ILE A 13 -2.601 -5.153 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.119 -7.601 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.037 -7.214 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.057 -4.622 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.056 -5.964 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.607 -5.277 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.193 -6.393 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.516 -4.875 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.027 -4.186 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.270 -5.664 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.255 -4.302 -0.603 1.00 0.00 H new ATOM 204 N GLN A 14 -3.085 -9.148 -3.847 1.00 0.00 N ATOM 205 CA GLN A 14 -4.203 -10.081 -3.957 1.00 0.00 C ATOM 206 C GLN A 14 -4.588 -10.628 -2.585 1.00 0.00 C ATOM 207 O GLN A 14 -3.782 -11.267 -1.911 1.00 0.00 O ATOM 208 CB GLN A 14 -3.840 -11.234 -4.895 1.00 0.00 C ATOM 209 CG GLN A 14 -4.989 -12.198 -5.143 1.00 0.00 C ATOM 210 CD GLN A 14 -4.884 -12.897 -6.485 1.00 0.00 C ATOM 211 OE1 GLN A 14 -5.841 -12.927 -7.257 1.00 0.00 O ATOM 212 NE2 GLN A 14 -3.716 -13.462 -6.768 1.00 0.00 N ATOM 0 H GLN A 14 -2.185 -9.590 -3.660 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.057 -9.543 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.507 -10.825 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.999 -11.784 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.010 -12.945 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.932 -11.654 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.949 -13.412 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.585 -13.946 -7.656 1.00 0.00 H new ATOM 221 N LYS A 15 -5.827 -10.368 -2.178 1.00 0.00 N ATOM 222 CA LYS A 15 -6.319 -10.834 -0.886 1.00 0.00 C ATOM 223 C LYS A 15 -6.434 -12.354 -0.861 1.00 0.00 C ATOM 224 O LYS A 15 -6.755 -12.980 -1.872 1.00 0.00 O ATOM 225 CB LYS A 15 -7.677 -10.204 -0.577 1.00 0.00 C ATOM 226 CG LYS A 15 -8.053 -10.256 0.894 1.00 0.00 C ATOM 227 CD LYS A 15 -9.449 -9.707 1.134 1.00 0.00 C ATOM 228 CE LYS A 15 -10.518 -10.696 0.696 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.602 -11.866 1.614 1.00 0.00 N ATOM 0 H LYS A 15 -6.507 -9.838 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.602 -10.530 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.668 -9.164 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.445 -10.715 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.001 -11.286 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.331 -9.683 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.575 -9.478 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.572 -8.771 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.484 -10.193 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.300 -11.042 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.473 -12.400 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.777 -12.482 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.615 -11.534 2.599 1.00 0.00 H new ATOM 243 N ASP A 16 -6.170 -12.943 0.300 1.00 0.00 N ATOM 244 CA ASP A 16 -6.245 -14.392 0.457 1.00 0.00 C ATOM 245 C ASP A 16 -7.390 -14.780 1.390 1.00 0.00 C ATOM 246 O ASP A 16 -8.223 -13.947 1.745 1.00 0.00 O ATOM 247 CB ASP A 16 -4.923 -14.935 1.001 1.00 0.00 C ATOM 248 CG ASP A 16 -3.722 -14.399 0.246 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.833 -14.210 -0.984 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.674 -14.170 0.882 1.00 0.00 O ATOM 0 H ASP A 16 -5.902 -12.440 1.146 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.434 -14.830 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.832 -14.673 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.929 -16.023 0.942 1.00 0.00 H new ATOM 255 N ASP A 17 -7.423 -16.048 1.783 1.00 0.00 N ATOM 256 CA ASP A 17 -8.464 -16.545 2.674 1.00 0.00 C ATOM 257 C ASP A 17 -8.441 -15.804 4.007 1.00 0.00 C ATOM 258 O ASP A 17 -9.477 -15.623 4.646 1.00 0.00 O ATOM 259 CB ASP A 17 -8.289 -18.047 2.911 1.00 0.00 C ATOM 260 CG ASP A 17 -8.823 -18.879 1.761 1.00 0.00 C ATOM 261 OD1 ASP A 17 -9.758 -18.413 1.074 1.00 0.00 O ATOM 262 OD2 ASP A 17 -8.307 -19.995 1.545 1.00 0.00 O ATOM 0 H ASP A 17 -6.741 -16.751 1.498 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.428 -16.368 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.232 -18.269 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.803 -18.330 3.830 1.00 0.00 H new ATOM 267 N ASN A 18 -7.252 -15.375 4.420 1.00 0.00 N ATOM 268 CA ASN A 18 -7.094 -14.653 5.677 1.00 0.00 C ATOM 269 C ASN A 18 -7.290 -13.155 5.471 1.00 0.00 C ATOM 270 O ASN A 18 -7.922 -12.482 6.286 1.00 0.00 O ATOM 271 CB ASN A 18 -5.711 -14.924 6.274 1.00 0.00 C ATOM 272 CG ASN A 18 -5.778 -15.797 7.513 1.00 0.00 C ATOM 273 OD1 ASN A 18 -5.843 -15.296 8.636 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.764 -17.109 7.314 1.00 0.00 N ATOM 0 H ASN A 18 -6.384 -15.515 3.902 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.856 -15.008 6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.083 -15.408 5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.235 -13.976 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.808 -17.746 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.709 -17.480 6.366 1.00 0.00 H new ATOM 281 N GLY A 19 -6.744 -12.636 4.375 1.00 0.00 N ATOM 282 CA GLY A 19 -6.870 -11.220 4.082 1.00 0.00 C ATOM 283 C GLY A 19 -5.536 -10.572 3.769 1.00 0.00 C ATOM 284 O GLY A 19 -4.597 -11.243 3.340 1.00 0.00 O ATOM 0 H GLY A 19 -6.217 -13.171 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.543 -11.086 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.325 -10.715 4.934 1.00 0.00 H new ATOM 288 N PHE A 20 -5.452 -9.263 3.983 1.00 0.00 N ATOM 289 CA PHE A 20 -4.223 -8.523 3.720 1.00 0.00 C ATOM 290 C PHE A 20 -3.319 -8.518 4.949 1.00 0.00 C ATOM 291 O PHE A 20 -3.633 -7.892 5.961 1.00 0.00 O ATOM 292 CB PHE A 20 -4.546 -7.088 3.304 1.00 0.00 C ATOM 293 CG PHE A 20 -5.414 -7.000 2.080 1.00 0.00 C ATOM 294 CD1 PHE A 20 -4.961 -7.475 0.860 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.680 -6.443 2.151 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.757 -7.397 -0.268 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.480 -6.362 1.028 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.018 -6.839 -0.183 1.00 0.00 C ATOM 0 H PHE A 20 -6.220 -8.693 4.338 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.696 -9.019 2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.045 -6.582 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.614 -6.553 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.975 -7.911 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.046 -6.068 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.394 -7.772 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.466 -5.926 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.642 -6.776 -1.062 1.00 0.00 H new ATOM 308 N GLY A 21 -2.194 -9.220 4.851 1.00 0.00 N ATOM 309 CA GLY A 21 -1.260 -9.282 5.961 1.00 0.00 C ATOM 310 C GLY A 21 -0.660 -7.930 6.294 1.00 0.00 C ATOM 311 O GLY A 21 -0.466 -7.601 7.464 1.00 0.00 O ATOM 0 H GLY A 21 -1.913 -9.746 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.771 -9.675 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.459 -9.981 5.719 1.00 0.00 H new ATOM 315 N LEU A 22 -0.364 -7.145 5.262 1.00 0.00 N ATOM 316 CA LEU A 22 0.219 -5.820 5.450 1.00 0.00 C ATOM 317 C LEU A 22 -0.639 -4.972 6.384 1.00 0.00 C ATOM 318 O LEU A 22 -1.865 -4.963 6.278 1.00 0.00 O ATOM 319 CB LEU A 22 0.375 -5.114 4.101 1.00 0.00 C ATOM 320 CG LEU A 22 -0.936 -4.824 3.367 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.423 -3.418 3.679 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.760 -5.010 1.867 1.00 0.00 C ATOM 0 H LEU A 22 -0.518 -7.403 4.287 1.00 0.00 H new ATOM 0 HA LEU A 22 1.202 -5.945 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.901 -4.173 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.006 -5.727 3.458 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.689 -5.532 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.356 -3.230 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.590 -3.320 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.673 -2.694 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.702 -4.800 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.008 -4.327 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.459 -6.037 1.661 1.00 0.00 H new ATOM 334 N THR A 23 0.014 -4.264 7.298 1.00 0.00 N ATOM 335 CA THR A 23 -0.689 -3.414 8.252 1.00 0.00 C ATOM 336 C THR A 23 -0.623 -1.951 7.830 1.00 0.00 C ATOM 337 O THR A 23 0.447 -1.437 7.503 1.00 0.00 O ATOM 338 CB THR A 23 -0.094 -3.581 9.651 1.00 0.00 C ATOM 339 OG1 THR A 23 0.205 -4.942 9.910 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.009 -3.095 10.754 1.00 0.00 C ATOM 0 H THR A 23 1.029 -4.261 7.399 1.00 0.00 H new ATOM 0 HA THR A 23 -1.735 -3.720 8.271 1.00 0.00 H new ATOM 0 HB THR A 23 0.809 -2.970 9.655 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.586 -5.028 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.525 -3.243 11.720 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.219 -2.035 10.612 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.943 -3.657 10.726 1.00 0.00 H new ATOM 348 N VAL A 24 -1.773 -1.285 7.841 1.00 0.00 N ATOM 349 CA VAL A 24 -1.846 0.121 7.461 1.00 0.00 C ATOM 350 C VAL A 24 -2.590 0.934 8.515 1.00 0.00 C ATOM 351 O VAL A 24 -3.644 0.524 9.000 1.00 0.00 O ATOM 352 CB VAL A 24 -2.547 0.299 6.102 1.00 0.00 C ATOM 353 CG1 VAL A 24 -1.730 -0.342 4.992 1.00 0.00 C ATOM 354 CG2 VAL A 24 -3.952 -0.280 6.144 1.00 0.00 C ATOM 0 H VAL A 24 -2.667 -1.696 8.109 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.821 0.483 7.382 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.627 1.366 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.241 -0.206 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.747 0.127 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.615 -1.407 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.431 -0.144 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.900 -1.343 6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.534 0.232 6.911 1.00 0.00 H new ATOM 364 N SER A 25 -2.035 2.090 8.865 1.00 0.00 N ATOM 365 CA SER A 25 -2.648 2.960 9.860 1.00 0.00 C ATOM 366 C SER A 25 -2.368 4.427 9.551 1.00 0.00 C ATOM 367 O SER A 25 -1.228 4.808 9.282 1.00 0.00 O ATOM 368 CB SER A 25 -2.131 2.613 11.257 1.00 0.00 C ATOM 369 OG SER A 25 -0.861 3.199 11.492 1.00 0.00 O ATOM 0 H SER A 25 -1.162 2.445 8.474 1.00 0.00 H new ATOM 0 HA SER A 25 -3.726 2.802 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.840 2.962 12.008 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.061 1.531 11.364 1.00 0.00 H new ATOM 0 HG SER A 25 -0.554 2.964 12.392 1.00 0.00 H new ATOM 375 N GLY A 26 -3.414 5.245 9.593 1.00 0.00 N ATOM 376 CA GLY A 26 -3.261 6.661 9.318 1.00 0.00 C ATOM 377 C GLY A 26 -4.527 7.445 9.600 1.00 0.00 C ATOM 378 O GLY A 26 -5.571 7.187 9.001 1.00 0.00 O ATOM 0 H GLY A 26 -4.366 4.952 9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.447 7.060 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.978 6.797 8.274 1.00 0.00 H new ATOM 382 N ASP A 27 -4.434 8.405 10.515 1.00 0.00 N ATOM 383 CA ASP A 27 -5.583 9.230 10.875 1.00 0.00 C ATOM 384 C ASP A 27 -6.149 9.938 9.648 1.00 0.00 C ATOM 385 O ASP A 27 -7.170 9.527 9.098 1.00 0.00 O ATOM 386 CB ASP A 27 -5.186 10.258 11.937 1.00 0.00 C ATOM 387 CG ASP A 27 -5.321 9.717 13.346 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.660 8.704 13.658 1.00 0.00 O ATOM 389 OD2 ASP A 27 -6.087 10.305 14.139 1.00 0.00 O ATOM 0 H ASP A 27 -3.577 8.631 11.020 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.355 8.578 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.156 10.571 11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.810 11.145 11.830 1.00 0.00 H new ATOM 394 N ASN A 28 -5.476 11.002 9.221 1.00 0.00 N ATOM 395 CA ASN A 28 -5.911 11.764 8.056 1.00 0.00 C ATOM 396 C ASN A 28 -5.400 11.130 6.763 1.00 0.00 C ATOM 397 O ASN A 28 -6.164 10.936 5.817 1.00 0.00 O ATOM 398 CB ASN A 28 -5.435 13.218 8.150 1.00 0.00 C ATOM 399 CG ASN A 28 -5.456 13.750 9.571 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.367 13.532 10.300 1.00 0.00 O flip ATOM 401 ND2 ASN A 28 -6.439 14.348 10.008 1.00 0.00 N flip ATOM 0 H ASN A 28 -4.628 11.356 9.664 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.001 11.751 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.422 13.291 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.068 13.845 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.254 14.493 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.438 14.699 10.966 1.00 0.00 H new ATOM 408 N PRO A 29 -4.097 10.793 6.700 1.00 0.00 N ATOM 409 CA PRO A 29 -3.501 10.178 5.517 1.00 0.00 C ATOM 410 C PRO A 29 -3.684 8.665 5.492 1.00 0.00 C ATOM 411 O PRO A 29 -4.446 8.108 6.283 1.00 0.00 O ATOM 412 CB PRO A 29 -2.026 10.538 5.662 1.00 0.00 C ATOM 413 CG PRO A 29 -1.792 10.577 7.135 1.00 0.00 C ATOM 414 CD PRO A 29 -3.100 10.980 7.774 1.00 0.00 C ATOM 0 HA PRO A 29 -3.958 10.527 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.388 9.798 5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.805 11.500 5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.467 9.603 7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.005 11.289 7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.328 10.361 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.074 12.014 8.118 1.00 0.00 H new ATOM 422 N VAL A 30 -2.980 8.004 4.579 1.00 0.00 N ATOM 423 CA VAL A 30 -3.063 6.553 4.452 1.00 0.00 C ATOM 424 C VAL A 30 -1.745 5.969 3.954 1.00 0.00 C ATOM 425 O VAL A 30 -1.430 6.046 2.768 1.00 0.00 O ATOM 426 CB VAL A 30 -4.189 6.137 3.486 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.396 4.632 3.523 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.481 6.868 3.823 1.00 0.00 C ATOM 0 H VAL A 30 -2.346 8.450 3.916 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.281 6.161 5.445 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.894 6.415 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.195 4.358 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.474 4.131 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.667 4.327 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.264 6.561 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.782 6.624 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.323 7.943 3.739 1.00 0.00 H new ATOM 438 N PHE A 31 -0.976 5.388 4.870 1.00 0.00 N ATOM 439 CA PHE A 31 0.308 4.795 4.521 1.00 0.00 C ATOM 440 C PHE A 31 0.447 3.397 5.118 1.00 0.00 C ATOM 441 O PHE A 31 -0.160 3.086 6.142 1.00 0.00 O ATOM 442 CB PHE A 31 1.455 5.684 5.006 1.00 0.00 C ATOM 443 CG PHE A 31 1.298 6.145 6.427 1.00 0.00 C ATOM 444 CD1 PHE A 31 1.661 5.324 7.480 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.785 7.403 6.708 1.00 0.00 C ATOM 446 CE1 PHE A 31 1.519 5.746 8.789 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.641 7.831 8.014 1.00 0.00 C ATOM 448 CZ PHE A 31 1.007 7.001 9.056 1.00 0.00 C ATOM 0 H PHE A 31 -1.220 5.316 5.858 1.00 0.00 H new ATOM 0 HA PHE A 31 0.355 4.712 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.393 5.137 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.528 6.556 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.060 4.341 7.277 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.495 8.055 5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.808 5.096 9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.243 8.814 8.220 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.893 7.333 10.077 1.00 0.00 H new ATOM 458 N VAL A 32 1.252 2.562 4.470 1.00 0.00 N ATOM 459 CA VAL A 32 1.475 1.198 4.934 1.00 0.00 C ATOM 460 C VAL A 32 2.638 1.139 5.919 1.00 0.00 C ATOM 461 O VAL A 32 3.747 1.576 5.613 1.00 0.00 O ATOM 462 CB VAL A 32 1.762 0.243 3.761 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.822 -1.198 4.243 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.710 0.404 2.671 1.00 0.00 C ATOM 0 H VAL A 32 1.761 2.806 3.621 1.00 0.00 H new ATOM 0 HA VAL A 32 0.560 0.880 5.433 1.00 0.00 H new ATOM 0 HB VAL A 32 2.734 0.500 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.026 -1.856 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.615 -1.301 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.868 -1.471 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.929 -0.279 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.275 0.176 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.722 1.430 2.303 1.00 0.00 H new ATOM 474 N GLN A 33 2.378 0.595 7.104 1.00 0.00 N ATOM 475 CA GLN A 33 3.404 0.481 8.133 1.00 0.00 C ATOM 476 C GLN A 33 4.235 -0.784 7.939 1.00 0.00 C ATOM 477 O GLN A 33 5.435 -0.796 8.210 1.00 0.00 O ATOM 478 CB GLN A 33 2.763 0.475 9.523 1.00 0.00 C ATOM 479 CG GLN A 33 3.706 0.917 10.629 1.00 0.00 C ATOM 480 CD GLN A 33 3.735 -0.053 11.795 1.00 0.00 C ATOM 481 OE1 GLN A 33 2.838 -0.058 12.636 1.00 0.00 O ATOM 482 NE2 GLN A 33 4.772 -0.881 11.848 1.00 0.00 N ATOM 0 H GLN A 33 1.466 0.227 7.375 1.00 0.00 H new ATOM 0 HA GLN A 33 4.065 1.344 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.892 1.131 9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.403 -0.530 9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.712 1.021 10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.403 1.901 10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.493 -0.842 11.128 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.847 -1.556 12.609 1.00 0.00 H new ATOM 491 N SER A 34 3.589 -1.846 7.472 1.00 0.00 N ATOM 492 CA SER A 34 4.271 -3.115 7.244 1.00 0.00 C ATOM 493 C SER A 34 3.672 -3.849 6.049 1.00 0.00 C ATOM 494 O SER A 34 2.534 -3.590 5.657 1.00 0.00 O ATOM 495 CB SER A 34 4.187 -3.994 8.495 1.00 0.00 C ATOM 496 OG SER A 34 5.441 -4.584 8.790 1.00 0.00 O ATOM 0 H SER A 34 2.595 -1.854 7.244 1.00 0.00 H new ATOM 0 HA SER A 34 5.318 -2.903 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.855 -3.394 9.343 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.441 -4.774 8.345 1.00 0.00 H new ATOM 0 HG SER A 34 5.361 -5.139 9.594 1.00 0.00 H new ATOM 502 N VAL A 35 4.444 -4.765 5.474 1.00 0.00 N ATOM 503 CA VAL A 35 3.989 -5.534 4.322 1.00 0.00 C ATOM 504 C VAL A 35 4.346 -7.008 4.469 1.00 0.00 C ATOM 505 O VAL A 35 5.506 -7.358 4.692 1.00 0.00 O ATOM 506 CB VAL A 35 4.598 -5.000 3.012 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.956 -3.676 2.627 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.105 -4.852 3.145 1.00 0.00 C ATOM 0 H VAL A 35 5.388 -4.993 5.787 1.00 0.00 H new ATOM 0 HA VAL A 35 2.905 -5.427 4.280 1.00 0.00 H new ATOM 0 HB VAL A 35 4.397 -5.720 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.398 -3.313 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.884 -3.818 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.124 -2.946 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.517 -4.474 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.332 -4.154 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.547 -5.822 3.370 1.00 0.00 H new ATOM 518 N LYS A 36 3.342 -7.870 4.346 1.00 0.00 N ATOM 519 CA LYS A 36 3.549 -9.310 4.467 1.00 0.00 C ATOM 520 C LYS A 36 4.606 -9.800 3.480 1.00 0.00 C ATOM 521 O LYS A 36 4.477 -9.612 2.268 1.00 0.00 O ATOM 522 CB LYS A 36 2.234 -10.067 4.246 1.00 0.00 C ATOM 523 CG LYS A 36 1.372 -9.499 3.129 1.00 0.00 C ATOM 524 CD LYS A 36 0.135 -10.348 2.897 1.00 0.00 C ATOM 525 CE LYS A 36 0.453 -11.580 2.068 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.777 -12.216 1.523 1.00 0.00 N ATOM 0 H LYS A 36 2.376 -7.597 4.163 1.00 0.00 H new ATOM 0 HA LYS A 36 3.905 -9.509 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.460 -11.109 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.661 -10.058 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.074 -8.481 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.955 -9.444 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.284 -10.652 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.626 -9.754 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.113 -11.304 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.993 -12.301 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.623 -13.240 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.572 -12.047 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.996 -11.807 0.593 1.00 0.00 H new ATOM 540 N GLU A 37 5.651 -10.426 4.012 1.00 0.00 N ATOM 541 CA GLU A 37 6.738 -10.946 3.191 1.00 0.00 C ATOM 542 C GLU A 37 6.333 -12.250 2.511 1.00 0.00 C ATOM 543 O GLU A 37 5.505 -12.999 3.029 1.00 0.00 O ATOM 544 CB GLU A 37 7.986 -11.172 4.046 1.00 0.00 C ATOM 545 CG GLU A 37 8.423 -9.941 4.823 1.00 0.00 C ATOM 546 CD GLU A 37 8.817 -10.264 6.252 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.731 -11.095 6.441 1.00 0.00 O ATOM 548 OE2 GLU A 37 8.215 -9.686 7.180 1.00 0.00 O ATOM 0 H GLU A 37 5.768 -10.586 5.013 1.00 0.00 H new ATOM 0 HA GLU A 37 6.961 -10.209 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.794 -11.984 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.804 -11.494 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.266 -9.475 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.612 -9.213 4.829 1.00 0.00 H new ATOM 555 N ASP A 38 6.923 -12.514 1.350 1.00 0.00 N ATOM 556 CA ASP A 38 6.626 -13.730 0.599 1.00 0.00 C ATOM 557 C ASP A 38 5.130 -13.854 0.329 1.00 0.00 C ATOM 558 O ASP A 38 4.596 -14.958 0.223 1.00 0.00 O ATOM 559 CB ASP A 38 7.120 -14.959 1.365 1.00 0.00 C ATOM 560 CG ASP A 38 7.019 -16.230 0.544 1.00 0.00 C ATOM 561 OD1 ASP A 38 7.813 -16.388 -0.406 1.00 0.00 O ATOM 562 OD2 ASP A 38 6.146 -17.068 0.852 1.00 0.00 O ATOM 0 H ASP A 38 7.610 -11.903 0.908 1.00 0.00 H new ATOM 0 HA ASP A 38 7.145 -13.671 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.157 -14.805 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.537 -15.073 2.279 1.00 0.00 H new ATOM 567 N GLY A 39 4.458 -12.713 0.216 1.00 0.00 N ATOM 568 CA GLY A 39 3.030 -12.716 -0.039 1.00 0.00 C ATOM 569 C GLY A 39 2.613 -11.622 -1.002 1.00 0.00 C ATOM 570 O GLY A 39 3.454 -11.013 -1.663 1.00 0.00 O ATOM 0 H GLY A 39 4.877 -11.787 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.738 -13.685 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.495 -12.591 0.903 1.00 0.00 H new ATOM 574 N ALA A 40 1.309 -11.372 -1.082 1.00 0.00 N ATOM 575 CA ALA A 40 0.779 -10.346 -1.972 1.00 0.00 C ATOM 576 C ALA A 40 1.477 -9.007 -1.756 1.00 0.00 C ATOM 577 O ALA A 40 1.844 -8.326 -2.714 1.00 0.00 O ATOM 578 CB ALA A 40 -0.721 -10.197 -1.769 1.00 0.00 C ATOM 0 H ALA A 40 0.600 -11.867 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 40 0.970 -10.661 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.104 -9.428 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.213 -11.145 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.922 -9.911 -0.736 1.00 0.00 H new ATOM 584 N ALA A 41 1.658 -8.631 -0.492 1.00 0.00 N ATOM 585 CA ALA A 41 2.314 -7.372 -0.159 1.00 0.00 C ATOM 586 C ALA A 41 3.732 -7.330 -0.714 1.00 0.00 C ATOM 587 O ALA A 41 4.138 -6.349 -1.336 1.00 0.00 O ATOM 588 CB ALA A 41 2.327 -7.165 1.348 1.00 0.00 C ATOM 0 H ALA A 41 1.360 -9.179 0.315 1.00 0.00 H new ATOM 0 HA ALA A 41 1.748 -6.562 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.820 -6.221 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.303 -7.142 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.867 -7.984 1.823 1.00 0.00 H new ATOM 594 N MET A 42 4.482 -8.406 -0.490 1.00 0.00 N ATOM 595 CA MET A 42 5.853 -8.493 -0.974 1.00 0.00 C ATOM 596 C MET A 42 5.887 -8.556 -2.498 1.00 0.00 C ATOM 597 O MET A 42 6.607 -7.797 -3.147 1.00 0.00 O ATOM 598 CB MET A 42 6.545 -9.723 -0.387 1.00 0.00 C ATOM 599 CG MET A 42 8.051 -9.728 -0.590 1.00 0.00 C ATOM 600 SD MET A 42 8.957 -9.287 0.907 1.00 0.00 S ATOM 601 CE MET A 42 10.565 -9.989 0.546 1.00 0.00 C ATOM 0 H MET A 42 4.162 -9.228 0.023 1.00 0.00 H new ATOM 0 HA MET A 42 6.384 -7.597 -0.652 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.330 -9.776 0.680 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.122 -10.619 -0.842 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.365 -10.717 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.309 -9.028 -1.385 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.241 -9.799 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.467 -11.064 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.967 -9.532 -0.358 1.00 0.00 H new ATOM 611 N ARG A 43 5.103 -9.470 -3.064 1.00 0.00 N ATOM 612 CA ARG A 43 5.041 -9.635 -4.512 1.00 0.00 C ATOM 613 C ARG A 43 4.594 -8.344 -5.190 1.00 0.00 C ATOM 614 O ARG A 43 5.002 -8.047 -6.312 1.00 0.00 O ATOM 615 CB ARG A 43 4.085 -10.772 -4.874 1.00 0.00 C ATOM 616 CG ARG A 43 4.577 -12.143 -4.435 1.00 0.00 C ATOM 617 CD ARG A 43 3.788 -13.258 -5.103 1.00 0.00 C ATOM 618 NE ARG A 43 4.640 -14.391 -5.461 1.00 0.00 N ATOM 619 CZ ARG A 43 4.175 -15.606 -5.744 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.869 -15.848 -5.715 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.016 -16.581 -6.060 1.00 0.00 N ATOM 0 H ARG A 43 4.502 -10.107 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 43 6.041 -9.882 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.115 -10.580 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.933 -10.778 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.634 -12.247 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.490 -12.232 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.998 -13.596 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.302 -12.872 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 43 5.648 -14.242 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.217 -15.101 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.518 -16.781 -5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.020 -16.400 -6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.659 -17.512 -6.277 1.00 0.00 H new ATOM 635 N ALA A 44 3.752 -7.580 -4.500 1.00 0.00 N ATOM 636 CA ALA A 44 3.250 -6.321 -5.036 1.00 0.00 C ATOM 637 C ALA A 44 4.345 -5.256 -5.076 1.00 0.00 C ATOM 638 O ALA A 44 4.204 -4.236 -5.751 1.00 0.00 O ATOM 639 CB ALA A 44 2.069 -5.832 -4.212 1.00 0.00 C ATOM 0 H ALA A 44 3.404 -7.811 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 44 2.920 -6.500 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.704 -4.891 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.272 -6.575 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.384 -5.679 -3.180 1.00 0.00 H new ATOM 645 N GLY A 45 5.434 -5.498 -4.351 1.00 0.00 N ATOM 646 CA GLY A 45 6.531 -4.549 -4.325 1.00 0.00 C ATOM 647 C GLY A 45 6.267 -3.381 -3.396 1.00 0.00 C ATOM 648 O GLY A 45 6.668 -2.252 -3.676 1.00 0.00 O ATOM 0 H GLY A 45 5.575 -6.333 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.441 -5.060 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.707 -4.174 -5.333 1.00 0.00 H new ATOM 652 N VAL A 46 5.590 -3.652 -2.284 1.00 0.00 N ATOM 653 CA VAL A 46 5.273 -2.615 -1.310 1.00 0.00 C ATOM 654 C VAL A 46 6.428 -2.405 -0.335 1.00 0.00 C ATOM 655 O VAL A 46 7.080 -3.362 0.082 1.00 0.00 O ATOM 656 CB VAL A 46 4.000 -2.957 -0.513 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.559 -1.768 0.326 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.886 -3.400 -1.450 1.00 0.00 C ATOM 0 H VAL A 46 5.251 -4.581 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 46 5.102 -1.697 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 46 4.227 -3.783 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.658 -2.029 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.352 -1.502 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.350 -0.920 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.995 -3.637 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.659 -2.597 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.205 -4.284 -2.002 1.00 0.00 H new ATOM 668 N GLN A 47 6.674 -1.149 0.021 1.00 0.00 N ATOM 669 CA GLN A 47 7.752 -0.816 0.948 1.00 0.00 C ATOM 670 C GLN A 47 7.195 -0.446 2.318 1.00 0.00 C ATOM 671 O GLN A 47 6.039 -0.040 2.441 1.00 0.00 O ATOM 672 CB GLN A 47 8.588 0.341 0.394 1.00 0.00 C ATOM 673 CG GLN A 47 7.782 1.602 0.127 1.00 0.00 C ATOM 674 CD GLN A 47 8.628 2.726 -0.436 1.00 0.00 C ATOM 675 OE1 GLN A 47 9.204 3.518 0.310 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.709 2.802 -1.759 1.00 0.00 N ATOM 0 H GLN A 47 6.144 -0.346 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 47 8.388 -1.694 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.385 0.572 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.065 0.022 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.977 1.373 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.315 1.933 1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.215 2.124 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.265 3.538 -2.194 1.00 0.00 H new ATOM 685 N THR A 48 8.025 -0.587 3.347 1.00 0.00 N ATOM 686 CA THR A 48 7.616 -0.266 4.708 1.00 0.00 C ATOM 687 C THR A 48 7.490 1.242 4.899 1.00 0.00 C ATOM 688 O THR A 48 8.433 1.990 4.639 1.00 0.00 O ATOM 689 CB THR A 48 8.620 -0.837 5.713 1.00 0.00 C ATOM 690 OG1 THR A 48 9.178 -2.046 5.231 1.00 0.00 O ATOM 691 CG2 THR A 48 8.013 -1.122 7.069 1.00 0.00 C ATOM 0 H THR A 48 8.985 -0.922 3.263 1.00 0.00 H new ATOM 0 HA THR A 48 6.640 -0.718 4.882 1.00 0.00 H new ATOM 0 HB THR A 48 9.383 -0.067 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.818 -2.395 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.778 -1.524 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.615 -0.199 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.207 -1.848 6.962 1.00 0.00 H new ATOM 699 N GLY A 49 6.322 1.680 5.355 1.00 0.00 N ATOM 700 CA GLY A 49 6.095 3.097 5.572 1.00 0.00 C ATOM 701 C GLY A 49 5.790 3.840 4.286 1.00 0.00 C ATOM 702 O GLY A 49 6.112 5.020 4.153 1.00 0.00 O ATOM 0 H GLY A 49 5.528 1.080 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.266 3.226 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.976 3.535 6.041 1.00 0.00 H new ATOM 706 N ASP A 50 5.168 3.145 3.339 1.00 0.00 N ATOM 707 CA ASP A 50 4.820 3.746 2.056 1.00 0.00 C ATOM 708 C ASP A 50 3.541 4.568 2.168 1.00 0.00 C ATOM 709 O ASP A 50 2.632 4.218 2.919 1.00 0.00 O ATOM 710 CB ASP A 50 4.650 2.662 0.991 1.00 0.00 C ATOM 711 CG ASP A 50 4.884 3.185 -0.413 1.00 0.00 C ATOM 712 OD1 ASP A 50 4.820 4.417 -0.604 1.00 0.00 O ATOM 713 OD2 ASP A 50 5.129 2.362 -1.320 1.00 0.00 O ATOM 0 H ASP A 50 4.895 2.167 3.435 1.00 0.00 H new ATOM 0 HA ASP A 50 5.633 4.410 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.346 1.847 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.645 2.246 1.058 1.00 0.00 H new ATOM 718 N ARG A 51 3.479 5.661 1.415 1.00 0.00 N ATOM 719 CA ARG A 51 2.308 6.533 1.428 1.00 0.00 C ATOM 720 C ARG A 51 1.341 6.157 0.311 1.00 0.00 C ATOM 721 O ARG A 51 1.747 5.948 -0.831 1.00 0.00 O ATOM 722 CB ARG A 51 2.734 7.994 1.282 1.00 0.00 C ATOM 723 CG ARG A 51 1.571 8.973 1.310 1.00 0.00 C ATOM 724 CD ARG A 51 2.025 10.372 1.697 1.00 0.00 C ATOM 725 NE ARG A 51 2.012 11.287 0.558 1.00 0.00 N ATOM 726 CZ ARG A 51 2.983 11.356 -0.350 1.00 0.00 C ATOM 727 NH1 ARG A 51 4.045 10.565 -0.260 1.00 0.00 N ATOM 728 NH2 ARG A 51 2.892 12.219 -1.353 1.00 0.00 N ATOM 0 H ARG A 51 4.224 5.965 0.788 1.00 0.00 H new ATOM 0 HA ARG A 51 1.799 6.405 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.427 8.244 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.276 8.114 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.096 9.002 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.819 8.625 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.375 10.760 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.032 10.324 2.112 1.00 0.00 H new ATOM 0 HE ARG A 51 1.211 11.910 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.121 9.899 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.785 10.623 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.078 12.829 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.636 12.272 -2.049 1.00 0.00 H new ATOM 742 N ILE A 52 0.058 6.072 0.647 1.00 0.00 N ATOM 743 CA ILE A 52 -0.965 5.721 -0.330 1.00 0.00 C ATOM 744 C ILE A 52 -1.715 6.959 -0.808 1.00 0.00 C ATOM 745 O ILE A 52 -2.120 7.802 -0.006 1.00 0.00 O ATOM 746 CB ILE A 52 -1.976 4.712 0.250 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.243 3.517 0.864 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.944 4.248 -0.830 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.891 2.996 2.128 1.00 0.00 C ATOM 0 H ILE A 52 -0.297 6.241 1.588 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.451 5.262 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.548 5.206 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.198 2.712 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.215 3.805 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.651 3.536 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.487 5.106 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.388 3.769 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.319 2.150 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.912 3.786 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.910 2.676 1.909 1.00 0.00 H new ATOM 761 N ILE A 53 -1.898 7.063 -2.121 1.00 0.00 N ATOM 762 CA ILE A 53 -2.598 8.200 -2.707 1.00 0.00 C ATOM 763 C ILE A 53 -3.948 7.778 -3.279 1.00 0.00 C ATOM 764 O ILE A 53 -4.966 8.423 -3.033 1.00 0.00 O ATOM 765 CB ILE A 53 -1.764 8.860 -3.820 1.00 0.00 C ATOM 766 CG1 ILE A 53 -0.335 9.110 -3.336 1.00 0.00 C ATOM 767 CG2 ILE A 53 -2.414 10.161 -4.267 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.633 9.432 -4.453 1.00 0.00 C ATOM 0 H ILE A 53 -1.571 6.374 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.756 8.922 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.724 8.184 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.341 9.934 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.019 8.228 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.813 10.616 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.415 9.956 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.480 10.844 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.627 9.597 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.668 8.599 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.303 10.332 -4.973 1.00 0.00 H new ATOM 780 N LYS A 54 -3.947 6.692 -4.045 1.00 0.00 N ATOM 781 CA LYS A 54 -5.171 6.184 -4.655 1.00 0.00 C ATOM 782 C LYS A 54 -5.435 4.744 -4.225 1.00 0.00 C ATOM 783 O LYS A 54 -4.515 4.023 -3.843 1.00 0.00 O ATOM 784 CB LYS A 54 -5.078 6.266 -6.179 1.00 0.00 C ATOM 785 CG LYS A 54 -4.673 7.638 -6.691 1.00 0.00 C ATOM 786 CD LYS A 54 -5.407 7.996 -7.972 1.00 0.00 C ATOM 787 CE LYS A 54 -4.763 7.342 -9.184 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.183 7.995 -10.455 1.00 0.00 N ATOM 0 H LYS A 54 -3.112 6.146 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.001 6.803 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.356 5.529 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.043 5.998 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.883 8.388 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.598 7.658 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.448 7.680 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.411 9.078 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.678 7.393 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.031 6.286 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.723 7.520 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.216 7.924 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.904 8.997 -10.439 1.00 0.00 H new ATOM 802 N VAL A 55 -6.698 4.335 -4.295 1.00 0.00 N ATOM 803 CA VAL A 55 -7.083 2.982 -3.913 1.00 0.00 C ATOM 804 C VAL A 55 -8.007 2.360 -4.954 1.00 0.00 C ATOM 805 O VAL A 55 -9.191 2.692 -5.025 1.00 0.00 O ATOM 806 CB VAL A 55 -7.785 2.961 -2.543 1.00 0.00 C ATOM 807 CG1 VAL A 55 -8.012 1.530 -2.079 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.976 3.739 -1.516 1.00 0.00 C ATOM 0 H VAL A 55 -7.471 4.920 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.164 2.399 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.757 3.443 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.509 1.537 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.637 1.007 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.053 1.019 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.488 3.713 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.989 3.289 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.871 4.773 -1.843 1.00 0.00 H new ATOM 818 N ASN A 56 -7.460 1.455 -5.759 1.00 0.00 N ATOM 819 CA ASN A 56 -8.235 0.784 -6.797 1.00 0.00 C ATOM 820 C ASN A 56 -8.824 1.796 -7.775 1.00 0.00 C ATOM 821 O ASN A 56 -9.976 1.673 -8.193 1.00 0.00 O ATOM 822 CB ASN A 56 -9.353 -0.050 -6.168 1.00 0.00 C ATOM 823 CG ASN A 56 -9.452 -1.436 -6.776 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.533 -1.896 -7.453 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.573 -2.108 -6.539 1.00 0.00 N ATOM 0 H ASN A 56 -6.482 1.169 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.566 0.123 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.178 -0.138 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.304 0.468 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.697 -3.044 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.309 -1.688 -5.972 1.00 0.00 H new ATOM 832 N GLY A 57 -8.027 2.796 -8.137 1.00 0.00 N ATOM 833 CA GLY A 57 -8.486 3.814 -9.062 1.00 0.00 C ATOM 834 C GLY A 57 -9.535 4.724 -8.453 1.00 0.00 C ATOM 835 O GLY A 57 -10.370 5.285 -9.162 1.00 0.00 O ATOM 0 H GLY A 57 -7.070 2.919 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.636 4.413 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.898 3.334 -9.950 1.00 0.00 H new ATOM 839 N THR A 58 -9.493 4.871 -7.132 1.00 0.00 N ATOM 840 CA THR A 58 -10.447 5.718 -6.426 1.00 0.00 C ATOM 841 C THR A 58 -9.756 6.508 -5.319 1.00 0.00 C ATOM 842 O THR A 58 -9.757 6.096 -4.158 1.00 0.00 O ATOM 843 CB THR A 58 -11.575 4.871 -5.838 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.732 3.668 -6.568 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.913 5.579 -5.829 1.00 0.00 C ATOM 0 H THR A 58 -8.808 4.414 -6.529 1.00 0.00 H new ATOM 0 HA THR A 58 -10.869 6.424 -7.142 1.00 0.00 H new ATOM 0 HB THR A 58 -11.279 4.673 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.032 3.033 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.669 4.922 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.840 6.488 -5.232 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.195 5.837 -6.850 1.00 0.00 H new ATOM 945 N HIS A 65 -9.896 4.759 9.013 1.00 0.00 N ATOM 946 CA HIS A 65 -9.269 3.483 8.687 1.00 0.00 C ATOM 947 C HIS A 65 -10.306 2.461 8.233 1.00 0.00 C ATOM 948 O HIS A 65 -10.059 1.674 7.317 1.00 0.00 O ATOM 949 CB HIS A 65 -8.498 2.944 9.892 1.00 0.00 C ATOM 950 CG HIS A 65 -7.633 1.766 9.572 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.628 0.609 10.324 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.740 1.567 8.573 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.769 -0.249 9.802 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.218 0.308 8.738 1.00 0.00 N ATOM 0 HA HIS A 65 -8.573 3.653 7.866 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.876 3.740 10.301 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.207 2.662 10.670 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.198 0.442 11.153 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.486 2.268 7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.554 -1.237 10.181 1.00 0.00 H new ATOM 963 N LEU A 66 -11.469 2.476 8.878 1.00 0.00 N ATOM 964 CA LEU A 66 -12.545 1.550 8.539 1.00 0.00 C ATOM 965 C LEU A 66 -12.896 1.652 7.058 1.00 0.00 C ATOM 966 O LEU A 66 -13.080 0.639 6.381 1.00 0.00 O ATOM 967 CB LEU A 66 -13.781 1.833 9.396 1.00 0.00 C ATOM 968 CG LEU A 66 -13.973 0.893 10.586 1.00 0.00 C ATOM 969 CD1 LEU A 66 -15.039 1.432 11.525 1.00 0.00 C ATOM 970 CD2 LEU A 66 -14.339 -0.505 10.107 1.00 0.00 C ATOM 0 H LEU A 66 -11.690 3.119 9.638 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.201 0.536 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.720 2.856 9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.665 1.776 8.761 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.032 0.834 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.162 0.750 12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.737 2.412 11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.984 1.522 10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.472 -1.161 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.267 -0.463 9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.541 -0.893 9.474 1.00 0.00 H new ATOM 982 N GLU A 67 -12.973 2.881 6.559 1.00 0.00 N ATOM 983 CA GLU A 67 -13.290 3.110 5.156 1.00 0.00 C ATOM 984 C GLU A 67 -12.205 2.512 4.269 1.00 0.00 C ATOM 985 O GLU A 67 -12.498 1.851 3.272 1.00 0.00 O ATOM 986 CB GLU A 67 -13.429 4.608 4.878 1.00 0.00 C ATOM 987 CG GLU A 67 -14.342 4.928 3.706 1.00 0.00 C ATOM 988 CD GLU A 67 -15.718 4.308 3.854 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.556 4.888 4.575 1.00 0.00 O ATOM 990 OE2 GLU A 67 -15.958 3.242 3.246 1.00 0.00 O ATOM 0 H GLU A 67 -12.821 3.730 7.103 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.239 2.624 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.813 5.101 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.441 5.026 4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.443 6.009 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.883 4.570 2.784 1.00 0.00 H new ATOM 997 N VAL A 68 -10.951 2.736 4.650 1.00 0.00 N ATOM 998 CA VAL A 68 -9.824 2.205 3.899 1.00 0.00 C ATOM 999 C VAL A 68 -9.855 0.683 3.907 1.00 0.00 C ATOM 1000 O VAL A 68 -9.700 0.040 2.868 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.479 2.682 4.481 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.333 2.315 3.551 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.509 4.182 4.736 1.00 0.00 C ATOM 0 H VAL A 68 -10.692 3.281 5.473 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.912 2.575 2.877 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.318 2.178 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.392 2.660 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.299 1.233 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.486 2.789 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.551 4.500 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.694 4.707 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.303 4.415 5.445 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.074 0.115 5.090 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.143 -1.332 5.241 1.00 0.00 C ATOM 1015 C VAL A 69 -11.304 -1.899 4.434 1.00 0.00 C ATOM 1016 O VAL A 69 -11.163 -2.911 3.747 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.311 -1.737 6.717 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.212 -3.248 6.872 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.278 -1.034 7.589 1.00 0.00 C ATOM 0 H VAL A 69 -10.206 0.636 5.957 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.203 -1.741 4.870 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.302 -1.425 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.333 -3.515 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.995 -3.726 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.237 -3.587 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.414 -1.334 8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.276 -1.310 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.404 0.045 7.504 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.453 -1.236 4.519 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.637 -1.672 3.789 1.00 0.00 C ATOM 1031 C LYS A 70 -13.426 -1.537 2.286 1.00 0.00 C ATOM 1032 O LYS A 70 -13.866 -2.385 1.508 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.862 -0.865 4.225 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.676 -1.537 5.318 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.507 -0.529 6.095 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.498 0.189 5.193 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.708 -0.638 4.928 1.00 0.00 N ATOM 0 H LYS A 70 -12.589 -0.398 5.084 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.810 -2.723 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.536 0.114 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.502 -0.696 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.332 -2.287 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.007 -2.062 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.044 -1.038 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.849 0.200 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.796 1.130 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.015 0.438 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.359 -0.113 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.427 -1.525 4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.184 -0.855 5.827 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.753 -0.467 1.881 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.487 -0.232 0.467 1.00 0.00 C ATOM 1053 C LEU A 71 -11.453 -1.216 -0.062 1.00 0.00 C ATOM 1054 O LEU A 71 -11.582 -1.725 -1.176 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.006 1.204 0.244 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.458 1.841 -1.072 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.834 3.300 -0.861 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.368 1.717 -2.125 1.00 0.00 C ATOM 0 H LEU A 71 -12.383 0.248 2.507 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.418 -0.382 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.360 1.822 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.917 1.216 0.281 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.341 1.309 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.152 3.734 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.649 3.365 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.970 3.847 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.706 2.175 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.467 2.223 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.148 0.664 -2.299 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.426 -1.488 0.739 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.382 -2.418 0.337 1.00 0.00 C ATOM 1072 C ILE A 72 -9.879 -3.858 0.397 1.00 0.00 C ATOM 1073 O ILE A 72 -9.522 -4.682 -0.446 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.119 -2.276 1.213 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -6.984 -3.142 0.660 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -8.424 -2.649 2.656 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.814 -2.339 0.135 1.00 0.00 C ATOM 0 H ILE A 72 -10.297 -1.079 1.664 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.120 -2.170 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.799 -1.234 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.632 -3.811 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.373 -3.769 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.521 -2.543 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.200 -1.990 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.769 -3.682 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.047 -3.016 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.152 -1.689 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.399 -1.732 0.940 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.706 -4.160 1.396 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.246 -5.506 1.549 1.00 0.00 C ATOM 1091 C LYS A 73 -12.333 -5.782 0.511 1.00 0.00 C ATOM 1092 O LYS A 73 -12.641 -6.938 0.218 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.795 -5.712 2.965 1.00 0.00 C ATOM 1094 CG LYS A 73 -13.085 -4.957 3.242 1.00 0.00 C ATOM 1095 CD LYS A 73 -14.295 -5.876 3.177 1.00 0.00 C ATOM 1096 CE LYS A 73 -15.588 -5.109 3.394 1.00 0.00 C ATOM 1097 NZ LYS A 73 -16.606 -5.925 4.110 1.00 0.00 N ATOM 0 H LYS A 73 -11.014 -3.495 2.106 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.433 -6.213 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.967 -6.776 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.040 -5.398 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.032 -4.493 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.199 -4.152 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.324 -6.373 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.202 -6.656 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.381 -4.204 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.988 -4.793 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.473 -5.365 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.823 -6.776 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.235 -6.205 5.040 1.00 0.00 H new ATOM 1111 N SER A 74 -12.910 -4.718 -0.047 1.00 0.00 N ATOM 1112 CA SER A 74 -13.958 -4.861 -1.052 1.00 0.00 C ATOM 1113 C SER A 74 -13.392 -5.436 -2.347 1.00 0.00 C ATOM 1114 O SER A 74 -13.262 -4.730 -3.349 1.00 0.00 O ATOM 1115 CB SER A 74 -14.619 -3.508 -1.325 1.00 0.00 C ATOM 1116 OG SER A 74 -15.812 -3.665 -2.075 1.00 0.00 O ATOM 0 H SER A 74 -12.670 -3.753 0.180 1.00 0.00 H new ATOM 0 HA SER A 74 -14.708 -5.551 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.842 -3.012 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.927 -2.864 -1.868 1.00 0.00 H new ATOM 0 HG SER A 74 -16.216 -2.787 -2.235 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.056 -6.722 -2.320 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.508 -7.371 -3.496 1.00 0.00 C ATOM 1124 C GLY A 75 -11.192 -8.071 -3.211 1.00 0.00 C ATOM 1125 O GLY A 75 -10.436 -7.651 -2.337 1.00 0.00 O ATOM 0 H GLY A 75 -13.154 -7.326 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.227 -8.097 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.359 -6.629 -4.281 1.00 0.00 H new ATOM 1129 N SER A 76 -10.921 -9.142 -3.951 1.00 0.00 N ATOM 1130 CA SER A 76 -9.689 -9.902 -3.771 1.00 0.00 C ATOM 1131 C SER A 76 -8.510 -9.192 -4.432 1.00 0.00 C ATOM 1132 O SER A 76 -7.443 -9.053 -3.835 1.00 0.00 O ATOM 1133 CB SER A 76 -9.842 -11.308 -4.355 1.00 0.00 C ATOM 1134 OG SER A 76 -11.206 -11.687 -4.421 1.00 0.00 O ATOM 0 H SER A 76 -11.537 -9.503 -4.680 1.00 0.00 H new ATOM 0 HA SER A 76 -9.492 -9.979 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.404 -11.341 -5.352 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.292 -12.022 -3.742 1.00 0.00 H new ATOM 0 HG SER A 76 -11.277 -12.588 -4.799 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.712 -8.746 -5.667 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.666 -8.052 -6.409 1.00 0.00 C ATOM 1142 C TYR A 77 -7.820 -6.539 -6.273 1.00 0.00 C ATOM 1143 O TYR A 77 -8.798 -5.960 -6.745 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.709 -8.451 -7.885 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.341 -8.673 -8.492 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.498 -9.664 -8.006 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.896 -7.894 -9.552 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -4.247 -9.870 -8.560 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -4.649 -8.094 -10.111 1.00 0.00 C ATOM 1150 CZ TYR A 77 -3.829 -9.084 -9.612 1.00 0.00 C ATOM 1151 OH TYR A 77 -2.585 -9.286 -10.166 1.00 0.00 O ATOM 0 H TYR A 77 -9.590 -8.853 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.702 -8.341 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.296 -9.363 -7.989 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.225 -7.674 -8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.824 -10.283 -7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.536 -7.118 -9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.601 -10.643 -8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.318 -7.478 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.446 -8.650 -10.898 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.848 -5.906 -5.624 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.877 -4.462 -5.425 1.00 0.00 C ATOM 1163 C VAL A 78 -5.544 -3.826 -5.807 1.00 0.00 C ATOM 1164 O VAL A 78 -4.481 -4.410 -5.597 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.211 -4.104 -3.963 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.158 -4.666 -3.017 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.342 -2.597 -3.796 1.00 0.00 C ATOM 0 H VAL A 78 -6.031 -6.370 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.659 -4.068 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.169 -4.558 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.413 -4.402 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.123 -5.751 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.183 -4.248 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.578 -2.365 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.402 -2.117 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.140 -2.227 -4.440 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.611 -2.622 -6.367 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.413 -1.900 -6.776 1.00 0.00 C ATOM 1179 C ALA A 79 -4.446 -0.462 -6.271 1.00 0.00 C ATOM 1180 O ALA A 79 -5.257 0.347 -6.722 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.272 -1.927 -8.292 1.00 0.00 C ATOM 0 H ALA A 79 -6.484 -2.126 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.548 -2.395 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.373 -1.384 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.198 -2.960 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.144 -1.456 -8.747 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.563 -0.151 -5.327 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.495 1.190 -4.757 1.00 0.00 C ATOM 1189 C LEU A 80 -2.199 1.888 -5.151 1.00 0.00 C ATOM 1190 O LEU A 80 -1.118 1.304 -5.077 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.608 1.125 -3.230 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.572 0.066 -2.695 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -3.942 -1.316 -2.765 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -4.981 0.397 -1.266 1.00 0.00 C ATOM 0 H LEU A 80 -2.885 -0.809 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.331 1.766 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.618 0.935 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.925 2.101 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.466 0.065 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.644 -2.056 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.698 -1.552 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.032 -1.332 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.667 -0.366 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.095 0.425 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.473 1.369 -1.244 1.00 0.00 H new ATOM 1206 N THR A 81 -2.314 3.147 -5.566 1.00 0.00 N ATOM 1207 CA THR A 81 -1.152 3.930 -5.967 1.00 0.00 C ATOM 1208 C THR A 81 -0.461 4.529 -4.747 1.00 0.00 C ATOM 1209 O THR A 81 -1.025 5.380 -4.059 1.00 0.00 O ATOM 1210 CB THR A 81 -1.567 5.042 -6.931 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.421 4.535 -7.943 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.394 5.712 -7.613 1.00 0.00 C ATOM 0 H THR A 81 -3.201 3.646 -5.633 1.00 0.00 H new ATOM 0 HA THR A 81 -0.451 3.266 -6.474 1.00 0.00 H new ATOM 0 HB THR A 81 -2.079 5.782 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.039 3.711 -8.311 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.759 6.491 -8.283 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.259 6.156 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.164 4.972 -8.187 1.00 0.00 H new ATOM 1220 N VAL A 82 0.760 4.077 -4.480 1.00 0.00 N ATOM 1221 CA VAL A 82 1.522 4.564 -3.338 1.00 0.00 C ATOM 1222 C VAL A 82 2.740 5.367 -3.783 1.00 0.00 C ATOM 1223 O VAL A 82 3.094 5.378 -4.963 1.00 0.00 O ATOM 1224 CB VAL A 82 1.990 3.405 -2.437 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.795 2.672 -1.847 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.878 2.447 -3.215 1.00 0.00 C ATOM 0 H VAL A 82 1.242 3.374 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 82 0.853 5.211 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 82 2.575 3.821 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.145 1.857 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.201 3.365 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.182 2.268 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.198 1.636 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.320 2.036 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.753 2.981 -3.585 1.00 0.00 H new ATOM 1236 N GLN A 83 3.377 6.039 -2.830 1.00 0.00 N ATOM 1237 CA GLN A 83 4.558 6.847 -3.115 1.00 0.00 C ATOM 1238 C GLN A 83 5.567 6.745 -1.976 1.00 0.00 C ATOM 1239 O GLN A 83 5.227 6.951 -0.811 1.00 0.00 O ATOM 1240 CB GLN A 83 4.161 8.308 -3.333 1.00 0.00 C ATOM 1241 CG GLN A 83 4.953 8.998 -4.432 1.00 0.00 C ATOM 1242 CD GLN A 83 4.109 9.971 -5.233 1.00 0.00 C ATOM 1243 OE1 GLN A 83 3.250 9.569 -6.016 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.353 11.264 -5.040 1.00 0.00 N ATOM 0 H GLN A 83 3.094 6.040 -1.850 1.00 0.00 H new ATOM 0 HA GLN A 83 5.022 6.466 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.100 8.354 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.297 8.856 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.794 9.531 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.369 8.246 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.075 11.554 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.818 11.966 -5.551 1.00 0.00 H new ATOM 1253 N GLY A 84 6.810 6.422 -2.318 1.00 0.00 N ATOM 1254 CA GLY A 84 7.848 6.296 -1.311 1.00 0.00 C ATOM 1255 C GLY A 84 8.824 7.454 -1.327 1.00 0.00 C ATOM 1256 O GLY A 84 8.751 8.327 -2.193 1.00 0.00 O ATOM 0 H GLY A 84 7.117 6.245 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.386 6.229 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.392 5.365 -1.471 1.00 0.00 H new