USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.0944 K(o=-1.8,f=-14!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.89 K(o=-1.8,f=-5.6!) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.39) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -1.15 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.958 K(o=-0.19,f=-4.4!) USER MOD Single : A 7 ASN : amide:sc= -0.62 K(o=-0.62,f=-5.3!) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.068 (180deg=-0.405) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 120:sc= 0.0821 USER MOD Single : A 14 MET CE :methyl -163:sc= -0.337 (180deg=-1.2) USER MOD Single : A 15 ASN : amide:sc= 0.936 K(o=0.94,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= 0.689 K(o=0.69,f=-0.058) USER MOD Single : A 24 ASN : amide:sc= -0.911 K(o=-0.91,f=-7!) USER MOD Single : A 25 THR OG1 : rot -13:sc= 1.04 USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= 0.895 (180deg=-0.0622) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= 0.17 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -148:sc= 0.363 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 24:sc= -0.108 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -9:sc= 0.709 USER MOD Single : A 74 MET CE :methyl -139:sc= -0.0627 (180deg=-0.843) USER MOD Single : A 78 GLN : amide:sc= -0.515 K(o=-0.51,f=0) USER MOD Single : A 83 ASN : amide:sc= 0.469 K(o=0.47,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.311 11.745 6.315 1.00 0.00 N ATOM 68 CA ASN A 7 -4.854 11.683 7.674 1.00 0.00 C ATOM 69 C ASN A 7 -5.489 12.983 8.185 1.00 0.00 C ATOM 70 O ASN A 7 -5.639 13.151 9.393 1.00 0.00 O ATOM 71 CB ASN A 7 -3.808 11.121 8.645 1.00 0.00 C ATOM 72 CG ASN A 7 -2.713 12.110 9.028 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.745 13.288 8.675 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.720 11.628 9.767 1.00 0.00 N ATOM 0 HA ASN A 7 -5.696 10.993 7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.313 10.787 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.346 10.242 8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.957 12.239 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.721 10.646 10.045 1.00 0.00 H new ATOM 81 N LYS A 8 -5.868 13.906 7.291 1.00 0.00 N ATOM 82 CA LYS A 8 -6.555 15.135 7.682 1.00 0.00 C ATOM 83 C LYS A 8 -7.894 14.800 8.334 1.00 0.00 C ATOM 84 O LYS A 8 -8.373 13.674 8.231 1.00 0.00 O ATOM 85 CB LYS A 8 -6.758 16.038 6.461 1.00 0.00 C ATOM 86 CG LYS A 8 -5.565 16.948 6.148 1.00 0.00 C ATOM 87 CD LYS A 8 -4.259 16.198 5.872 1.00 0.00 C ATOM 88 CE LYS A 8 -3.485 15.854 7.149 1.00 0.00 C ATOM 89 NZ LYS A 8 -3.011 17.069 7.846 1.00 0.00 N ATOM 0 H LYS A 8 -5.707 13.820 6.287 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.942 15.671 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.963 15.414 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.640 16.657 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.808 17.562 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.411 17.627 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.482 15.279 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.628 16.805 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.124 15.277 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.633 15.222 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.220 16.822 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.692 17.769 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.787 17.472 8.409 1.00 0.00 H new ATOM 103 N THR A 9 -8.504 15.775 9.006 1.00 0.00 N ATOM 104 CA THR A 9 -9.743 15.558 9.746 1.00 0.00 C ATOM 105 C THR A 9 -10.799 16.611 9.414 1.00 0.00 C ATOM 106 O THR A 9 -11.678 16.895 10.228 1.00 0.00 O ATOM 107 CB THR A 9 -9.471 15.477 11.249 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.736 16.607 11.670 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.682 14.209 11.566 1.00 0.00 C ATOM 0 H THR A 9 -8.155 16.732 9.052 1.00 0.00 H new ATOM 0 HA THR A 9 -10.153 14.599 9.430 1.00 0.00 H new ATOM 0 HB THR A 9 -10.424 15.452 11.778 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.568 16.548 12.634 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.492 14.157 12.638 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.257 13.336 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.733 14.227 11.029 1.00 0.00 H new ATOM 117 N ASP A 10 -10.718 17.198 8.217 1.00 0.00 N ATOM 118 CA ASP A 10 -11.673 18.198 7.769 1.00 0.00 C ATOM 119 C ASP A 10 -13.017 17.536 7.450 1.00 0.00 C ATOM 120 O ASP A 10 -13.064 16.350 7.121 1.00 0.00 O ATOM 121 CB ASP A 10 -11.101 18.940 6.562 1.00 0.00 C ATOM 122 CG ASP A 10 -9.859 19.742 6.940 1.00 0.00 C ATOM 123 OD1 ASP A 10 -10.031 20.776 7.620 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.749 19.314 6.552 1.00 0.00 O ATOM 0 H ASP A 10 -9.987 16.989 7.537 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.850 18.926 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.850 18.225 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.858 19.609 6.152 1.00 0.00 H new ATOM 129 N PRO A 11 -14.120 18.291 7.537 1.00 0.00 N ATOM 130 CA PRO A 11 -15.473 17.794 7.334 1.00 0.00 C ATOM 131 C PRO A 11 -15.731 17.345 5.895 1.00 0.00 C ATOM 132 O PRO A 11 -16.838 16.912 5.580 1.00 0.00 O ATOM 133 CB PRO A 11 -16.388 18.957 7.714 1.00 0.00 C ATOM 134 CG PRO A 11 -15.525 20.187 7.446 1.00 0.00 C ATOM 135 CD PRO A 11 -14.138 19.702 7.850 1.00 0.00 C ATOM 0 HA PRO A 11 -15.651 16.906 7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.298 18.966 7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.696 18.902 8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.562 20.490 6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.844 21.045 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.360 20.236 7.304 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.956 19.872 8.911 1.00 0.00 H new ATOM 143 N ARG A 12 -14.722 17.441 5.026 1.00 0.00 N ATOM 144 CA ARG A 12 -14.833 17.025 3.634 1.00 0.00 C ATOM 145 C ARG A 12 -13.664 16.140 3.210 1.00 0.00 C ATOM 146 O ARG A 12 -13.728 15.518 2.153 1.00 0.00 O ATOM 147 CB ARG A 12 -15.012 18.253 2.734 1.00 0.00 C ATOM 148 CG ARG A 12 -13.772 19.149 2.649 1.00 0.00 C ATOM 149 CD ARG A 12 -12.791 18.664 1.581 1.00 0.00 C ATOM 150 NE ARG A 12 -11.654 19.585 1.457 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.784 19.570 0.441 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.903 18.691 -0.552 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.779 20.442 0.417 1.00 0.00 N ATOM 0 H ARG A 12 -13.804 17.811 5.273 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.722 16.404 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.276 17.920 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.850 18.844 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.077 20.171 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.273 19.171 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.431 17.668 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.303 18.581 0.622 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.519 20.280 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.667 18.015 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.231 18.694 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.674 21.120 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.114 20.433 -0.356 1.00 0.00 H new ATOM 167 N SER A 13 -12.605 16.070 4.022 1.00 0.00 N ATOM 168 CA SER A 13 -11.483 15.178 3.750 1.00 0.00 C ATOM 169 C SER A 13 -11.725 13.817 4.394 1.00 0.00 C ATOM 170 O SER A 13 -11.146 12.816 3.978 1.00 0.00 O ATOM 171 CB SER A 13 -10.183 15.793 4.266 1.00 0.00 C ATOM 172 OG SER A 13 -10.176 15.819 5.678 1.00 0.00 O ATOM 0 H SER A 13 -12.505 16.623 4.873 1.00 0.00 H new ATOM 0 HA SER A 13 -11.395 15.040 2.672 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.332 15.217 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.073 16.805 3.877 1.00 0.00 H new ATOM 0 HG SER A 13 -9.418 15.294 6.011 1.00 0.00 H new ATOM 178 N MET A 14 -12.587 13.787 5.414 1.00 0.00 N ATOM 179 CA MET A 14 -12.962 12.568 6.113 1.00 0.00 C ATOM 180 C MET A 14 -13.928 11.716 5.297 1.00 0.00 C ATOM 181 O MET A 14 -14.180 10.566 5.648 1.00 0.00 O ATOM 182 CB MET A 14 -13.593 12.963 7.447 1.00 0.00 C ATOM 183 CG MET A 14 -12.514 13.431 8.418 1.00 0.00 C ATOM 184 SD MET A 14 -11.279 12.186 8.875 1.00 0.00 S ATOM 185 CE MET A 14 -12.381 10.782 9.134 1.00 0.00 C ATOM 0 H MET A 14 -13.046 14.622 5.777 1.00 0.00 H new ATOM 0 HA MET A 14 -12.071 11.961 6.274 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.323 13.757 7.292 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.130 12.114 7.870 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.998 14.284 7.976 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.998 13.787 9.327 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.861 10.012 9.704 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.263 11.108 9.685 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.686 10.376 8.169 1.00 0.00 H new ATOM 195 N ASN A 15 -14.471 12.272 4.212 1.00 0.00 N ATOM 196 CA ASN A 15 -15.384 11.563 3.328 1.00 0.00 C ATOM 197 C ASN A 15 -14.887 11.572 1.882 1.00 0.00 C ATOM 198 O ASN A 15 -15.528 10.988 1.015 1.00 0.00 O ATOM 199 CB ASN A 15 -16.796 12.135 3.473 1.00 0.00 C ATOM 200 CG ASN A 15 -16.808 13.651 3.562 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.796 14.342 2.548 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.830 14.172 4.783 1.00 0.00 N ATOM 0 H ASN A 15 -14.285 13.233 3.925 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.420 10.514 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.400 11.820 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.262 11.719 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.838 15.185 4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.839 13.560 5.599 1.00 0.00 H new ATOM 209 N SER A 16 -13.750 12.227 1.617 1.00 0.00 N ATOM 210 CA SER A 16 -13.087 12.176 0.318 1.00 0.00 C ATOM 211 C SER A 16 -11.930 11.182 0.363 1.00 0.00 C ATOM 212 O SER A 16 -11.090 11.143 -0.533 1.00 0.00 O ATOM 213 CB SER A 16 -12.609 13.571 -0.085 1.00 0.00 C ATOM 214 OG SER A 16 -11.539 13.961 0.739 1.00 0.00 O ATOM 0 H SER A 16 -13.267 12.807 2.302 1.00 0.00 H new ATOM 0 HA SER A 16 -13.796 11.835 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.296 13.571 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.427 14.286 0.002 1.00 0.00 H new ATOM 0 HG SER A 16 -11.234 14.855 0.478 1.00 0.00 H new ATOM 220 N ARG A 17 -11.895 10.374 1.424 1.00 0.00 N ATOM 221 CA ARG A 17 -10.828 9.427 1.698 1.00 0.00 C ATOM 222 C ARG A 17 -11.335 7.998 1.578 1.00 0.00 C ATOM 223 O ARG A 17 -12.527 7.741 1.713 1.00 0.00 O ATOM 224 CB ARG A 17 -10.307 9.725 3.097 1.00 0.00 C ATOM 225 CG ARG A 17 -9.116 8.857 3.496 1.00 0.00 C ATOM 226 CD ARG A 17 -8.613 9.333 4.853 1.00 0.00 C ATOM 227 NE ARG A 17 -8.339 10.771 4.800 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.436 11.605 5.831 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.728 11.173 7.056 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.237 12.899 5.624 1.00 0.00 N ATOM 0 H ARG A 17 -12.630 10.365 2.131 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.021 9.529 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.018 10.774 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.113 9.577 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.410 7.809 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.325 8.931 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.357 9.123 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.708 8.790 5.127 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.052 11.163 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.884 10.179 7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.796 11.836 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.014 13.237 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.307 13.556 6.401 1.00 0.00 H new ATOM 244 N VAL A 18 -10.409 7.073 1.324 1.00 0.00 N ATOM 245 CA VAL A 18 -10.718 5.657 1.211 1.00 0.00 C ATOM 246 C VAL A 18 -9.897 4.871 2.222 1.00 0.00 C ATOM 247 O VAL A 18 -8.675 5.013 2.271 1.00 0.00 O ATOM 248 CB VAL A 18 -10.398 5.169 -0.204 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.873 3.729 -0.386 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.061 6.045 -1.266 1.00 0.00 C ATOM 0 H VAL A 18 -9.421 7.291 1.191 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.778 5.504 1.412 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.317 5.227 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.639 3.394 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.369 3.086 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.950 3.678 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.811 5.667 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.143 6.024 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.703 7.070 -1.167 1.00 0.00 H new ATOM 260 N PHE A 19 -10.570 4.047 3.022 1.00 0.00 N ATOM 261 CA PHE A 19 -9.922 3.119 3.934 1.00 0.00 C ATOM 262 C PHE A 19 -9.873 1.766 3.232 1.00 0.00 C ATOM 263 O PHE A 19 -10.887 1.318 2.701 1.00 0.00 O ATOM 264 CB PHE A 19 -10.702 3.068 5.248 1.00 0.00 C ATOM 265 CG PHE A 19 -10.247 1.986 6.203 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.891 1.838 6.521 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.194 1.126 6.777 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.480 0.834 7.413 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.784 0.126 7.667 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.429 -0.021 7.986 1.00 0.00 C ATOM 0 H PHE A 19 -11.589 4.007 3.053 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.907 3.429 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.616 4.034 5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.758 2.918 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.159 2.498 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.240 1.235 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.434 0.722 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.516 -0.534 8.109 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.116 -0.793 8.673 1.00 0.00 H new ATOM 280 N ILE A 20 -8.707 1.117 3.223 1.00 0.00 N ATOM 281 CA ILE A 20 -8.513 -0.146 2.520 1.00 0.00 C ATOM 282 C ILE A 20 -7.970 -1.169 3.507 1.00 0.00 C ATOM 283 O ILE A 20 -6.760 -1.306 3.669 1.00 0.00 O ATOM 284 CB ILE A 20 -7.553 0.058 1.338 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.061 1.166 0.406 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.409 -1.258 0.564 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.992 1.568 -0.612 1.00 0.00 C ATOM 0 H ILE A 20 -7.873 1.455 3.704 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.458 -0.510 2.118 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.580 0.361 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.954 0.824 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.351 2.036 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.728 -1.114 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.012 -2.028 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.385 -1.569 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.382 2.355 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.109 1.934 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.722 0.702 -1.217 1.00 0.00 H new ATOM 299 N GLY A 21 -8.873 -1.887 4.168 1.00 0.00 N ATOM 300 CA GLY A 21 -8.520 -2.857 5.194 1.00 0.00 C ATOM 301 C GLY A 21 -8.356 -4.268 4.639 1.00 0.00 C ATOM 302 O GLY A 21 -8.667 -4.535 3.479 1.00 0.00 O ATOM 0 H GLY A 21 -9.877 -1.810 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.591 -2.550 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.291 -2.861 5.965 1.00 0.00 H new ATOM 306 N ASN A 22 -7.863 -5.175 5.487 1.00 0.00 N ATOM 307 CA ASN A 22 -7.657 -6.584 5.180 1.00 0.00 C ATOM 308 C ASN A 22 -6.756 -6.795 3.954 1.00 0.00 C ATOM 309 O ASN A 22 -6.747 -7.874 3.363 1.00 0.00 O ATOM 310 CB ASN A 22 -9.015 -7.285 5.079 1.00 0.00 C ATOM 311 CG ASN A 22 -8.903 -8.792 5.280 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.911 -9.273 6.409 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.802 -9.554 4.196 1.00 0.00 N ATOM 0 H ASN A 22 -7.588 -4.935 6.439 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.105 -7.049 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.692 -6.870 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.455 -7.082 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.728 -10.567 4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.798 -9.126 3.270 1.00 0.00 H new ATOM 320 N LEU A 23 -5.998 -5.766 3.559 1.00 0.00 N ATOM 321 CA LEU A 23 -5.122 -5.823 2.399 1.00 0.00 C ATOM 322 C LEU A 23 -3.927 -6.732 2.692 1.00 0.00 C ATOM 323 O LEU A 23 -3.517 -6.860 3.846 1.00 0.00 O ATOM 324 CB LEU A 23 -4.711 -4.389 2.043 1.00 0.00 C ATOM 325 CG LEU A 23 -3.901 -4.275 0.748 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.656 -4.836 -0.455 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.622 -2.797 0.488 1.00 0.00 C ATOM 0 H LEU A 23 -5.980 -4.868 4.043 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.631 -6.256 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.608 -3.777 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.124 -3.976 2.864 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.983 -4.850 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.042 -4.733 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.878 -5.890 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.587 -4.286 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.045 -2.692 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.566 -2.261 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.056 -2.382 1.321 1.00 0.00 H new ATOM 339 N ASN A 24 -3.360 -7.365 1.657 1.00 0.00 N ATOM 340 CA ASN A 24 -2.262 -8.311 1.835 1.00 0.00 C ATOM 341 C ASN A 24 -1.010 -7.613 2.365 1.00 0.00 C ATOM 342 O ASN A 24 -0.316 -8.156 3.222 1.00 0.00 O ATOM 343 CB ASN A 24 -1.967 -9.011 0.506 1.00 0.00 C ATOM 344 CG ASN A 24 -1.250 -8.089 -0.470 1.00 0.00 C ATOM 345 OD1 ASN A 24 -0.027 -8.087 -0.544 1.00 0.00 O ATOM 346 ND2 ASN A 24 -1.999 -7.295 -1.223 1.00 0.00 N ATOM 0 H ASN A 24 -3.648 -7.235 0.687 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.561 -9.055 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.355 -9.894 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.901 -9.356 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.559 -6.659 -1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.015 -7.321 -1.137 1.00 0.00 H new ATOM 353 N THR A 25 -0.736 -6.409 1.847 1.00 0.00 N ATOM 354 CA THR A 25 0.384 -5.548 2.215 1.00 0.00 C ATOM 355 C THR A 25 1.765 -6.208 2.160 1.00 0.00 C ATOM 356 O THR A 25 2.735 -5.599 2.610 1.00 0.00 O ATOM 357 CB THR A 25 0.121 -4.861 3.555 1.00 0.00 C ATOM 358 OG1 THR A 25 0.165 -5.795 4.614 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.253 -4.200 3.523 1.00 0.00 C ATOM 0 H THR A 25 -1.322 -5.992 1.124 1.00 0.00 H new ATOM 0 HA THR A 25 0.434 -4.790 1.434 1.00 0.00 H new ATOM 0 HB THR A 25 0.894 -4.111 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.150 -6.704 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.443 -3.709 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.282 -3.461 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.017 -4.957 3.346 1.00 0.00 H new ATOM 367 N LEU A 26 1.884 -7.428 1.624 1.00 0.00 N ATOM 368 CA LEU A 26 3.185 -8.073 1.466 1.00 0.00 C ATOM 369 C LEU A 26 3.655 -8.010 0.014 1.00 0.00 C ATOM 370 O LEU A 26 4.848 -8.129 -0.254 1.00 0.00 O ATOM 371 CB LEU A 26 3.139 -9.539 1.897 1.00 0.00 C ATOM 372 CG LEU A 26 2.572 -9.822 3.291 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.115 -11.182 3.719 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.961 -8.783 4.341 1.00 0.00 C ATOM 0 H LEU A 26 1.095 -7.984 1.294 1.00 0.00 H new ATOM 0 HA LEU A 26 3.883 -7.531 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.545 -10.091 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.152 -9.940 1.852 1.00 0.00 H new ATOM 0 HG LEU A 26 1.484 -9.793 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.737 -11.429 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.792 -11.943 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.204 -11.147 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.521 -9.054 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.046 -8.750 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.593 -7.803 4.037 1.00 0.00 H new ATOM 386 N VAL A 27 2.716 -7.819 -0.916 1.00 0.00 N ATOM 387 CA VAL A 27 2.990 -7.810 -2.346 1.00 0.00 C ATOM 388 C VAL A 27 2.581 -6.468 -2.947 1.00 0.00 C ATOM 389 O VAL A 27 3.033 -6.112 -4.033 1.00 0.00 O ATOM 390 CB VAL A 27 2.231 -8.967 -3.008 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.653 -9.136 -4.469 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.495 -10.283 -2.275 1.00 0.00 C ATOM 0 H VAL A 27 1.734 -7.665 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 27 4.057 -7.943 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 27 1.170 -8.723 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.100 -9.963 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.439 -8.219 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.721 -9.347 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.946 -11.088 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.562 -10.505 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.166 -10.195 -1.240 1.00 0.00 H new ATOM 402 N VAL A 28 1.726 -5.720 -2.242 1.00 0.00 N ATOM 403 CA VAL A 28 1.298 -4.405 -2.692 1.00 0.00 C ATOM 404 C VAL A 28 2.319 -3.360 -2.249 1.00 0.00 C ATOM 405 O VAL A 28 3.062 -3.576 -1.292 1.00 0.00 O ATOM 406 CB VAL A 28 -0.113 -4.111 -2.165 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.064 -3.241 -0.909 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.951 -3.389 -3.219 1.00 0.00 C ATOM 0 H VAL A 28 1.319 -6.011 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 28 1.248 -4.373 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.569 -5.072 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.078 -3.050 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.497 -3.758 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.424 -2.295 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.946 -3.192 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.472 -2.446 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.033 -4.013 -4.109 1.00 0.00 H new ATOM 418 N LYS A 29 2.350 -2.224 -2.947 1.00 0.00 N ATOM 419 CA LYS A 29 3.207 -1.094 -2.613 1.00 0.00 C ATOM 420 C LYS A 29 2.431 0.195 -2.834 1.00 0.00 C ATOM 421 O LYS A 29 1.311 0.166 -3.343 1.00 0.00 O ATOM 422 CB LYS A 29 4.500 -1.106 -3.447 1.00 0.00 C ATOM 423 CG LYS A 29 4.309 -1.689 -4.845 1.00 0.00 C ATOM 424 CD LYS A 29 4.659 -3.179 -4.836 1.00 0.00 C ATOM 425 CE LYS A 29 4.106 -3.887 -6.068 1.00 0.00 C ATOM 426 NZ LYS A 29 4.603 -3.281 -7.319 1.00 0.00 N ATOM 0 H LYS A 29 1.771 -2.064 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 29 3.502 -1.167 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.878 -0.087 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.259 -1.684 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.278 -1.550 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.942 -1.161 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.742 -3.300 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.256 -3.644 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.386 -4.940 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.017 -3.846 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.817 -4.031 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.876 -2.649 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.466 -2.735 -7.121 1.00 0.00 H new ATOM 440 N LYS A 30 3.010 1.337 -2.454 1.00 0.00 N ATOM 441 CA LYS A 30 2.332 2.614 -2.624 1.00 0.00 C ATOM 442 C LYS A 30 1.992 2.825 -4.095 1.00 0.00 C ATOM 443 O LYS A 30 0.915 3.327 -4.414 1.00 0.00 O ATOM 444 CB LYS A 30 3.226 3.752 -2.133 1.00 0.00 C ATOM 445 CG LYS A 30 2.460 5.062 -2.342 1.00 0.00 C ATOM 446 CD LYS A 30 3.292 6.275 -1.959 1.00 0.00 C ATOM 447 CE LYS A 30 2.468 7.515 -2.300 1.00 0.00 C ATOM 448 NZ LYS A 30 3.293 8.736 -2.292 1.00 0.00 N ATOM 0 H LYS A 30 3.936 1.399 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 30 1.412 2.607 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.475 3.617 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.167 3.766 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.159 5.144 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.546 5.047 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.535 6.255 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.237 6.280 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.012 7.390 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.655 7.620 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.700 9.557 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.708 8.868 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.054 8.645 -2.995 1.00 0.00 H new ATOM 462 N SER A 31 2.915 2.434 -4.975 1.00 0.00 N ATOM 463 CA SER A 31 2.802 2.651 -6.409 1.00 0.00 C ATOM 464 C SER A 31 1.752 1.731 -7.022 1.00 0.00 C ATOM 465 O SER A 31 1.420 1.874 -8.196 1.00 0.00 O ATOM 466 CB SER A 31 4.168 2.442 -7.064 1.00 0.00 C ATOM 467 OG SER A 31 4.640 1.136 -6.798 1.00 0.00 O ATOM 0 H SER A 31 3.772 1.952 -4.703 1.00 0.00 H new ATOM 0 HA SER A 31 2.477 3.676 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.091 2.597 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.878 3.178 -6.686 1.00 0.00 H new ATOM 0 HG SER A 31 5.514 1.011 -7.223 1.00 0.00 H new ATOM 473 N ASP A 32 1.227 0.791 -6.231 1.00 0.00 N ATOM 474 CA ASP A 32 0.156 -0.081 -6.660 1.00 0.00 C ATOM 475 C ASP A 32 -1.177 0.477 -6.179 1.00 0.00 C ATOM 476 O ASP A 32 -2.153 0.452 -6.926 1.00 0.00 O ATOM 477 CB ASP A 32 0.399 -1.485 -6.105 1.00 0.00 C ATOM 478 CG ASP A 32 1.184 -2.352 -7.082 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.182 -1.839 -7.639 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.782 -3.522 -7.267 1.00 0.00 O ATOM 0 H ASP A 32 1.541 0.622 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 32 0.129 -0.138 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.943 -1.414 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.557 -1.960 -5.885 1.00 0.00 H new ATOM 485 N VAL A 33 -1.242 0.990 -4.946 1.00 0.00 N ATOM 486 CA VAL A 33 -2.491 1.529 -4.426 1.00 0.00 C ATOM 487 C VAL A 33 -2.866 2.793 -5.192 1.00 0.00 C ATOM 488 O VAL A 33 -4.049 3.046 -5.421 1.00 0.00 O ATOM 489 CB VAL A 33 -2.358 1.790 -2.918 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.655 2.360 -2.351 1.00 0.00 C ATOM 491 CG2 VAL A 33 -2.046 0.489 -2.178 1.00 0.00 C ATOM 0 H VAL A 33 -0.453 1.041 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.294 0.806 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.548 2.506 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.538 2.537 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.889 3.300 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.466 1.651 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.955 0.690 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.851 -0.227 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.109 0.074 -2.550 1.00 0.00 H new ATOM 501 N GLU A 34 -1.877 3.595 -5.599 1.00 0.00 N ATOM 502 CA GLU A 34 -2.138 4.795 -6.385 1.00 0.00 C ATOM 503 C GLU A 34 -2.292 4.465 -7.871 1.00 0.00 C ATOM 504 O GLU A 34 -2.374 5.368 -8.703 1.00 0.00 O ATOM 505 CB GLU A 34 -1.076 5.866 -6.127 1.00 0.00 C ATOM 506 CG GLU A 34 0.293 5.505 -6.706 1.00 0.00 C ATOM 507 CD GLU A 34 1.355 6.549 -6.352 1.00 0.00 C ATOM 508 OE1 GLU A 34 0.972 7.652 -5.904 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.553 6.232 -6.533 1.00 0.00 O ATOM 0 H GLU A 34 -0.891 3.431 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.091 5.213 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.409 6.810 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.980 6.022 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.602 4.530 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.217 5.417 -7.790 1.00 0.00 H new ATOM 516 N ALA A 35 -2.329 3.173 -8.209 1.00 0.00 N ATOM 517 CA ALA A 35 -2.530 2.714 -9.575 1.00 0.00 C ATOM 518 C ALA A 35 -3.786 1.846 -9.688 1.00 0.00 C ATOM 519 O ALA A 35 -4.229 1.545 -10.796 1.00 0.00 O ATOM 520 CB ALA A 35 -1.286 1.946 -10.011 1.00 0.00 C ATOM 0 H ALA A 35 -2.219 2.416 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.681 3.570 -10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.416 1.593 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.417 2.602 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.134 1.093 -9.349 1.00 0.00 H new ATOM 526 N ILE A 36 -4.359 1.446 -8.548 1.00 0.00 N ATOM 527 CA ILE A 36 -5.568 0.635 -8.497 1.00 0.00 C ATOM 528 C ILE A 36 -6.767 1.513 -8.137 1.00 0.00 C ATOM 529 O ILE A 36 -7.909 1.138 -8.402 1.00 0.00 O ATOM 530 CB ILE A 36 -5.352 -0.502 -7.489 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.251 -1.436 -8.006 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.635 -1.310 -7.282 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.662 -2.272 -6.868 1.00 0.00 C ATOM 0 H ILE A 36 -3.988 1.682 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.780 0.192 -9.470 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.062 -0.062 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.659 -2.095 -8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.462 -0.849 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.450 -2.108 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.420 -0.655 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.950 -1.743 -8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.884 -2.926 -7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.234 -1.611 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.448 -2.876 -6.416 1.00 0.00 H new ATOM 545 N PHE A 37 -6.515 2.681 -7.541 1.00 0.00 N ATOM 546 CA PHE A 37 -7.575 3.599 -7.145 1.00 0.00 C ATOM 547 C PHE A 37 -7.550 4.884 -7.977 1.00 0.00 C ATOM 548 O PHE A 37 -8.512 5.645 -7.962 1.00 0.00 O ATOM 549 CB PHE A 37 -7.461 3.865 -5.643 1.00 0.00 C ATOM 550 CG PHE A 37 -7.832 2.668 -4.791 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.989 1.547 -4.738 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.029 2.681 -4.060 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.351 0.436 -3.965 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.393 1.564 -3.292 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.552 0.443 -3.239 1.00 0.00 C ATOM 0 H PHE A 37 -5.575 3.012 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.546 3.144 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.439 4.164 -5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.106 4.703 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.062 1.541 -5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.670 3.550 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.704 -0.428 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.322 1.568 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.828 -0.413 -2.641 1.00 0.00 H new ATOM 565 N SER A 38 -6.467 5.143 -8.715 1.00 0.00 N ATOM 566 CA SER A 38 -6.388 6.331 -9.562 1.00 0.00 C ATOM 567 C SER A 38 -7.287 6.176 -10.795 1.00 0.00 C ATOM 568 O SER A 38 -7.490 7.126 -11.551 1.00 0.00 O ATOM 569 CB SER A 38 -4.933 6.585 -9.951 1.00 0.00 C ATOM 570 OG SER A 38 -4.815 7.783 -10.687 1.00 0.00 O ATOM 0 H SER A 38 -5.639 4.549 -8.742 1.00 0.00 H new ATOM 0 HA SER A 38 -6.750 7.197 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.316 6.641 -9.054 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.559 5.750 -10.543 1.00 0.00 H new ATOM 0 HG SER A 38 -5.620 7.914 -11.230 1.00 0.00 H new ATOM 576 N LYS A 39 -7.833 4.973 -11.000 1.00 0.00 N ATOM 577 CA LYS A 39 -8.752 4.681 -12.090 1.00 0.00 C ATOM 578 C LYS A 39 -10.201 4.988 -11.702 1.00 0.00 C ATOM 579 O LYS A 39 -11.104 4.791 -12.510 1.00 0.00 O ATOM 580 CB LYS A 39 -8.573 3.228 -12.532 1.00 0.00 C ATOM 581 CG LYS A 39 -8.923 2.274 -11.388 1.00 0.00 C ATOM 582 CD LYS A 39 -8.569 0.836 -11.761 1.00 0.00 C ATOM 583 CE LYS A 39 -9.457 0.339 -12.903 1.00 0.00 C ATOM 584 NZ LYS A 39 -9.118 -1.048 -13.269 1.00 0.00 N ATOM 0 H LYS A 39 -7.643 4.169 -10.402 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.518 5.330 -12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.209 3.022 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.544 3.062 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.384 2.565 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.987 2.345 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.522 0.779 -12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.690 0.189 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.504 0.395 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.337 0.988 -13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.734 -1.363 -14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.125 -1.094 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.256 -1.668 -12.445 1.00 0.00 H new ATOM 598 N TYR A 40 -10.421 5.464 -10.472 1.00 0.00 N ATOM 599 CA TYR A 40 -11.744 5.812 -9.970 1.00 0.00 C ATOM 600 C TYR A 40 -11.820 7.281 -9.548 1.00 0.00 C ATOM 601 O TYR A 40 -12.898 7.767 -9.212 1.00 0.00 O ATOM 602 CB TYR A 40 -12.094 4.906 -8.790 1.00 0.00 C ATOM 603 CG TYR A 40 -12.549 3.525 -9.190 1.00 0.00 C ATOM 604 CD1 TYR A 40 -13.890 3.309 -9.537 1.00 0.00 C ATOM 605 CD2 TYR A 40 -11.637 2.462 -9.215 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.326 2.027 -9.899 1.00 0.00 C ATOM 607 CE2 TYR A 40 -12.060 1.181 -9.591 1.00 0.00 C ATOM 608 CZ TYR A 40 -13.410 0.956 -9.933 1.00 0.00 C ATOM 609 OH TYR A 40 -13.831 -0.289 -10.292 1.00 0.00 O ATOM 0 H TYR A 40 -9.675 5.618 -9.794 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.464 5.665 -10.775 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.222 4.817 -8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.880 5.380 -8.202 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.589 4.132 -9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.605 2.631 -8.944 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.363 1.860 -10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.353 0.365 -9.619 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.305 -0.963 -9.813 1.00 0.00 H new ATOM 619 N GLY A 41 -10.692 7.996 -9.559 1.00 0.00 N ATOM 620 CA GLY A 41 -10.676 9.393 -9.159 1.00 0.00 C ATOM 621 C GLY A 41 -9.263 9.967 -9.101 1.00 0.00 C ATOM 622 O GLY A 41 -8.283 9.229 -9.193 1.00 0.00 O ATOM 0 H GLY A 41 -9.784 7.626 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.273 9.976 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.146 9.493 -8.181 1.00 0.00 H new ATOM 626 N LYS A 42 -9.167 11.291 -8.950 1.00 0.00 N ATOM 627 CA LYS A 42 -7.889 11.976 -8.830 1.00 0.00 C ATOM 628 C LYS A 42 -7.359 11.817 -7.412 1.00 0.00 C ATOM 629 O LYS A 42 -7.953 12.337 -6.467 1.00 0.00 O ATOM 630 CB LYS A 42 -8.064 13.456 -9.185 1.00 0.00 C ATOM 631 CG LYS A 42 -6.824 14.280 -8.819 1.00 0.00 C ATOM 632 CD LYS A 42 -5.556 13.782 -9.510 1.00 0.00 C ATOM 633 CE LYS A 42 -4.365 14.555 -8.951 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.101 14.117 -9.575 1.00 0.00 N ATOM 0 H LYS A 42 -9.975 11.912 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.168 11.539 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.263 13.553 -10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.933 13.855 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.994 15.322 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.679 14.250 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.427 12.713 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.630 13.927 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.508 15.622 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.309 14.411 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.310 14.660 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.955 13.104 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.147 14.277 -10.602 1.00 0.00 H new ATOM 648 N ILE A 43 -6.240 11.106 -7.263 1.00 0.00 N ATOM 649 CA ILE A 43 -5.590 10.945 -5.975 1.00 0.00 C ATOM 650 C ILE A 43 -4.633 12.113 -5.768 1.00 0.00 C ATOM 651 O ILE A 43 -3.814 12.415 -6.637 1.00 0.00 O ATOM 652 CB ILE A 43 -4.871 9.589 -5.912 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.895 8.456 -6.052 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.123 9.467 -4.586 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.269 7.059 -5.973 1.00 0.00 C ATOM 0 H ILE A 43 -5.766 10.631 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.325 10.951 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.153 9.518 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.645 8.555 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.414 8.561 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.613 8.504 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.390 10.270 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.831 9.540 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.048 6.304 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.539 6.942 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.774 6.936 -5.010 1.00 0.00 H new ATOM 667 N VAL A 44 -4.739 12.771 -4.611 1.00 0.00 N ATOM 668 CA VAL A 44 -3.872 13.880 -4.231 1.00 0.00 C ATOM 669 C VAL A 44 -3.068 13.535 -2.981 1.00 0.00 C ATOM 670 O VAL A 44 -2.327 14.368 -2.463 1.00 0.00 O ATOM 671 CB VAL A 44 -4.693 15.159 -4.040 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.175 15.666 -5.398 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.900 14.920 -3.132 1.00 0.00 C ATOM 0 H VAL A 44 -5.439 12.543 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.160 14.059 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.052 15.902 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.759 16.576 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.315 15.879 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.795 14.905 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.460 15.849 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.544 14.160 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.558 14.581 -2.154 1.00 0.00 H new ATOM 683 N GLY A 45 -3.211 12.302 -2.497 1.00 0.00 N ATOM 684 CA GLY A 45 -2.475 11.788 -1.354 1.00 0.00 C ATOM 685 C GLY A 45 -2.691 10.281 -1.271 1.00 0.00 C ATOM 686 O GLY A 45 -3.795 9.797 -1.514 1.00 0.00 O ATOM 0 H GLY A 45 -3.856 11.622 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.413 12.012 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.816 12.270 -0.437 1.00 0.00 H new ATOM 690 N CYS A 46 -1.644 9.526 -0.940 1.00 0.00 N ATOM 691 CA CYS A 46 -1.744 8.079 -0.839 1.00 0.00 C ATOM 692 C CYS A 46 -0.723 7.556 0.167 1.00 0.00 C ATOM 693 O CYS A 46 0.383 8.085 0.267 1.00 0.00 O ATOM 694 CB CYS A 46 -1.501 7.459 -2.217 1.00 0.00 C ATOM 695 SG CYS A 46 -1.681 5.658 -2.112 1.00 0.00 S ATOM 0 H CYS A 46 -0.716 9.898 -0.738 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.741 7.804 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.209 7.864 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.503 7.715 -2.572 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.441 5.356 -1.102 1.00 0.00 H new ATOM 701 N SER A 47 -1.097 6.519 0.916 1.00 0.00 N ATOM 702 CA SER A 47 -0.209 5.890 1.878 1.00 0.00 C ATOM 703 C SER A 47 -0.602 4.431 2.053 1.00 0.00 C ATOM 704 O SER A 47 -1.764 4.073 1.874 1.00 0.00 O ATOM 705 CB SER A 47 -0.276 6.637 3.210 1.00 0.00 C ATOM 706 OG SER A 47 0.689 6.110 4.094 1.00 0.00 O ATOM 0 H SER A 47 -2.024 6.096 0.869 1.00 0.00 H new ATOM 0 HA SER A 47 0.818 5.932 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.098 7.701 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.272 6.542 3.643 1.00 0.00 H new ATOM 0 HG SER A 47 0.647 6.590 4.948 1.00 0.00 H new ATOM 712 N VAL A 48 0.360 3.579 2.404 1.00 0.00 N ATOM 713 CA VAL A 48 0.109 2.159 2.588 1.00 0.00 C ATOM 714 C VAL A 48 0.915 1.645 3.777 1.00 0.00 C ATOM 715 O VAL A 48 2.036 2.090 4.020 1.00 0.00 O ATOM 716 CB VAL A 48 0.383 1.399 1.283 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.740 1.763 0.676 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.322 -0.114 1.488 1.00 0.00 C ATOM 0 H VAL A 48 1.328 3.856 2.567 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.941 1.986 2.824 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.403 1.702 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.889 1.200 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.766 2.831 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.532 1.518 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.521 -0.618 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.070 -0.412 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.669 -0.393 1.846 1.00 0.00 H new ATOM 728 N HIS A 49 0.323 0.703 4.513 1.00 0.00 N ATOM 729 CA HIS A 49 0.850 0.192 5.769 1.00 0.00 C ATOM 730 C HIS A 49 0.671 -1.323 5.798 1.00 0.00 C ATOM 731 O HIS A 49 0.303 -1.913 4.786 1.00 0.00 O ATOM 732 CB HIS A 49 0.077 0.843 6.917 1.00 0.00 C ATOM 733 CG HIS A 49 -0.152 2.319 6.734 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.700 3.340 7.163 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.236 2.871 6.111 1.00 0.00 C ATOM 736 CE1 HIS A 49 0.105 4.482 6.782 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.056 4.231 6.152 1.00 0.00 N ATOM 0 H HIS A 49 -0.558 0.267 4.241 1.00 0.00 H new ATOM 0 HA HIS A 49 1.910 0.424 5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.887 0.345 7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.622 0.682 7.847 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.069 2.342 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.505 5.470 6.958 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.693 4.930 5.770 1.00 0.00 H new ATOM 745 N LYS A 50 0.923 -1.964 6.944 1.00 0.00 N ATOM 746 CA LYS A 50 0.621 -3.382 7.091 1.00 0.00 C ATOM 747 C LYS A 50 -0.858 -3.566 7.408 1.00 0.00 C ATOM 748 O LYS A 50 -1.423 -2.834 8.216 1.00 0.00 O ATOM 749 CB LYS A 50 1.479 -4.023 8.182 1.00 0.00 C ATOM 750 CG LYS A 50 2.901 -4.278 7.688 1.00 0.00 C ATOM 751 CD LYS A 50 3.661 -5.080 8.742 1.00 0.00 C ATOM 752 CE LYS A 50 5.028 -5.489 8.203 1.00 0.00 C ATOM 753 NZ LYS A 50 5.777 -6.266 9.206 1.00 0.00 N ATOM 0 H LYS A 50 1.330 -1.526 7.770 1.00 0.00 H new ATOM 0 HA LYS A 50 0.853 -3.879 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.506 -3.372 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.027 -4.963 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.879 -4.823 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.408 -3.332 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.781 -4.484 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.090 -5.966 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.904 -6.082 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.596 -4.600 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.704 -6.533 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.914 -5.689 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.243 -7.125 9.449 1.00 0.00 H new ATOM 767 N GLY A 51 -1.477 -4.556 6.761 1.00 0.00 N ATOM 768 CA GLY A 51 -2.871 -4.925 6.958 1.00 0.00 C ATOM 769 C GLY A 51 -3.880 -3.923 6.387 1.00 0.00 C ATOM 770 O GLY A 51 -5.044 -4.276 6.209 1.00 0.00 O ATOM 0 H GLY A 51 -1.005 -5.136 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.045 -5.898 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.056 -5.039 8.026 1.00 0.00 H new ATOM 774 N PHE A 52 -3.462 -2.686 6.096 1.00 0.00 N ATOM 775 CA PHE A 52 -4.365 -1.682 5.553 1.00 0.00 C ATOM 776 C PHE A 52 -3.614 -0.622 4.749 1.00 0.00 C ATOM 777 O PHE A 52 -2.386 -0.544 4.792 1.00 0.00 O ATOM 778 CB PHE A 52 -5.149 -1.003 6.682 1.00 0.00 C ATOM 779 CG PHE A 52 -4.284 -0.243 7.656 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.728 -0.902 8.765 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.030 1.120 7.453 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.910 -0.199 9.657 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.212 1.821 8.349 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.646 1.163 9.451 1.00 0.00 C ATOM 0 H PHE A 52 -2.504 -2.363 6.230 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.055 -2.195 4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.876 -0.318 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.713 -1.761 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.931 -1.950 8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.465 1.630 6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.480 -0.707 10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.017 2.871 8.191 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.010 1.702 10.137 1.00 0.00 H new ATOM 794 N ALA A 53 -4.365 0.200 4.012 1.00 0.00 N ATOM 795 CA ALA A 53 -3.832 1.304 3.232 1.00 0.00 C ATOM 796 C ALA A 53 -4.849 2.444 3.173 1.00 0.00 C ATOM 797 O ALA A 53 -6.006 2.273 3.560 1.00 0.00 O ATOM 798 CB ALA A 53 -3.479 0.809 1.831 1.00 0.00 C ATOM 0 H ALA A 53 -5.379 0.110 3.944 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.928 1.686 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.079 1.635 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.732 0.019 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.374 0.419 1.346 1.00 0.00 H new ATOM 804 N PHE A 54 -4.422 3.610 2.687 1.00 0.00 N ATOM 805 CA PHE A 54 -5.274 4.783 2.586 1.00 0.00 C ATOM 806 C PHE A 54 -5.048 5.530 1.277 1.00 0.00 C ATOM 807 O PHE A 54 -3.945 5.546 0.734 1.00 0.00 O ATOM 808 CB PHE A 54 -5.020 5.722 3.765 1.00 0.00 C ATOM 809 CG PHE A 54 -5.882 5.427 4.971 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.219 5.844 4.971 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.360 4.743 6.079 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.039 5.580 6.074 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.182 4.469 7.180 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.517 4.890 7.176 1.00 0.00 C ATOM 0 H PHE A 54 -3.471 3.762 2.352 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.309 4.441 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.971 5.654 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.197 6.749 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.619 6.371 4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.327 4.428 6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.069 5.906 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.786 3.934 8.030 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.148 4.682 8.027 1.00 0.00 H new ATOM 824 N VAL A 55 -6.118 6.151 0.783 1.00 0.00 N ATOM 825 CA VAL A 55 -6.085 6.978 -0.414 1.00 0.00 C ATOM 826 C VAL A 55 -6.879 8.246 -0.146 1.00 0.00 C ATOM 827 O VAL A 55 -7.939 8.193 0.474 1.00 0.00 O ATOM 828 CB VAL A 55 -6.657 6.211 -1.609 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.721 7.111 -2.840 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.782 5.003 -1.931 1.00 0.00 C ATOM 0 H VAL A 55 -7.042 6.091 1.211 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.056 7.241 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.661 5.879 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.130 6.550 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.360 7.969 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.718 7.458 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.201 4.467 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.774 5.338 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.746 4.339 -1.067 1.00 0.00 H new ATOM 840 N GLN A 56 -6.362 9.382 -0.614 1.00 0.00 N ATOM 841 CA GLN A 56 -6.978 10.680 -0.415 1.00 0.00 C ATOM 842 C GLN A 56 -7.322 11.278 -1.775 1.00 0.00 C ATOM 843 O GLN A 56 -6.435 11.645 -2.545 1.00 0.00 O ATOM 844 CB GLN A 56 -6.013 11.558 0.387 1.00 0.00 C ATOM 845 CG GLN A 56 -6.553 12.960 0.668 1.00 0.00 C ATOM 846 CD GLN A 56 -7.786 12.908 1.556 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.684 12.826 2.778 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.962 12.951 0.946 1.00 0.00 N ATOM 0 H GLN A 56 -5.493 9.420 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.906 10.601 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.790 11.067 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.073 11.642 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.781 13.560 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.800 13.453 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.007 13.019 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.822 12.916 1.493 1.00 0.00 H new ATOM 857 N TYR A 57 -8.621 11.375 -2.061 1.00 0.00 N ATOM 858 CA TYR A 57 -9.116 11.972 -3.290 1.00 0.00 C ATOM 859 C TYR A 57 -9.352 13.464 -3.097 1.00 0.00 C ATOM 860 O TYR A 57 -9.112 14.001 -2.016 1.00 0.00 O ATOM 861 CB TYR A 57 -10.412 11.295 -3.729 1.00 0.00 C ATOM 862 CG TYR A 57 -10.276 9.874 -4.213 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.348 9.550 -5.215 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.101 8.877 -3.677 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.278 8.242 -5.716 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.041 7.569 -4.175 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.134 7.250 -5.200 1.00 0.00 C ATOM 868 OH TYR A 57 -10.088 5.981 -5.686 1.00 0.00 O ATOM 0 H TYR A 57 -9.358 11.039 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.364 11.830 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.109 11.309 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.859 11.890 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.686 10.311 -5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.786 9.117 -2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.571 7.997 -6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.691 6.807 -3.772 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.516 5.956 -6.481 1.00 0.00 H new ATOM 878 N VAL A 58 -9.824 14.133 -4.153 1.00 0.00 N ATOM 879 CA VAL A 58 -10.089 15.562 -4.120 1.00 0.00 C ATOM 880 C VAL A 58 -11.466 15.841 -3.520 1.00 0.00 C ATOM 881 O VAL A 58 -11.690 16.916 -2.964 1.00 0.00 O ATOM 882 CB VAL A 58 -9.986 16.127 -5.541 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.304 17.623 -5.575 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.568 15.937 -6.077 1.00 0.00 C ATOM 0 H VAL A 58 -10.031 13.694 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.349 16.052 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.709 15.590 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.221 17.989 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.318 17.788 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.599 18.159 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.504 16.341 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.862 16.459 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.325 14.875 -6.095 1.00 0.00 H new ATOM 894 N ASN A 59 -12.394 14.883 -3.625 1.00 0.00 N ATOM 895 CA ASN A 59 -13.761 15.059 -3.155 1.00 0.00 C ATOM 896 C ASN A 59 -14.400 13.729 -2.745 1.00 0.00 C ATOM 897 O ASN A 59 -13.814 12.661 -2.916 1.00 0.00 O ATOM 898 CB ASN A 59 -14.581 15.734 -4.256 1.00 0.00 C ATOM 899 CG ASN A 59 -14.641 14.883 -5.511 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.124 13.758 -5.489 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.148 15.406 -6.625 1.00 0.00 N ATOM 0 H ASN A 59 -12.213 13.968 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.744 15.688 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.592 15.921 -3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.143 16.703 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.165 14.869 -7.492 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.751 16.346 -6.615 1.00 0.00 H new ATOM 908 N GLU A 60 -15.618 13.809 -2.201 1.00 0.00 N ATOM 909 CA GLU A 60 -16.362 12.654 -1.717 1.00 0.00 C ATOM 910 C GLU A 60 -16.820 11.764 -2.864 1.00 0.00 C ATOM 911 O GLU A 60 -16.839 10.543 -2.735 1.00 0.00 O ATOM 912 CB GLU A 60 -17.563 13.158 -0.911 1.00 0.00 C ATOM 913 CG GLU A 60 -18.586 12.043 -0.690 1.00 0.00 C ATOM 914 CD GLU A 60 -19.666 12.449 0.310 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.137 13.605 0.221 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.011 11.597 1.159 1.00 0.00 O ATOM 0 H GLU A 60 -16.117 14.691 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.714 12.047 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.224 13.540 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.034 13.989 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.051 11.784 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.076 11.149 -0.330 1.00 0.00 H new ATOM 923 N ARG A 61 -17.188 12.372 -3.990 1.00 0.00 N ATOM 924 CA ARG A 61 -17.689 11.656 -5.154 1.00 0.00 C ATOM 925 C ARG A 61 -16.658 10.631 -5.626 1.00 0.00 C ATOM 926 O ARG A 61 -17.012 9.516 -6.005 1.00 0.00 O ATOM 927 CB ARG A 61 -18.034 12.723 -6.201 1.00 0.00 C ATOM 928 CG ARG A 61 -17.673 12.365 -7.644 1.00 0.00 C ATOM 929 CD ARG A 61 -18.552 11.236 -8.176 1.00 0.00 C ATOM 930 NE ARG A 61 -18.189 10.891 -9.555 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.572 9.767 -10.170 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.323 8.864 -9.544 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.197 9.541 -11.426 1.00 0.00 N ATOM 0 H ARG A 61 -17.145 13.383 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.584 11.073 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.104 12.925 -6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.523 13.648 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.786 13.245 -8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.626 12.067 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.448 10.358 -7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.599 11.536 -8.136 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.609 11.549 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.615 9.024 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.606 8.012 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.619 10.224 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.487 8.685 -11.899 1.00 0.00 H new ATOM 947 N ASN A 62 -15.378 11.000 -5.602 1.00 0.00 N ATOM 948 CA ASN A 62 -14.302 10.113 -6.016 1.00 0.00 C ATOM 949 C ASN A 62 -14.163 8.954 -5.022 1.00 0.00 C ATOM 950 O ASN A 62 -13.849 7.829 -5.411 1.00 0.00 O ATOM 951 CB ASN A 62 -13.010 10.930 -6.091 1.00 0.00 C ATOM 952 CG ASN A 62 -12.906 11.744 -7.376 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.881 11.717 -8.051 1.00 0.00 O ATOM 954 ND2 ASN A 62 -13.948 12.482 -7.740 1.00 0.00 N ATOM 0 H ASN A 62 -15.063 11.920 -5.295 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.518 9.684 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.959 11.602 -5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.155 10.258 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.905 13.039 -8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.791 12.492 -7.166 1.00 0.00 H new ATOM 961 N ALA A 63 -14.395 9.219 -3.731 1.00 0.00 N ATOM 962 CA ALA A 63 -14.303 8.182 -2.719 1.00 0.00 C ATOM 963 C ALA A 63 -15.426 7.168 -2.869 1.00 0.00 C ATOM 964 O ALA A 63 -15.182 5.969 -2.761 1.00 0.00 O ATOM 965 CB ALA A 63 -14.325 8.807 -1.326 1.00 0.00 C ATOM 0 H ALA A 63 -14.646 10.140 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.359 7.654 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.256 8.021 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.480 9.487 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.255 9.359 -1.189 1.00 0.00 H new ATOM 971 N ARG A 64 -16.657 7.628 -3.119 1.00 0.00 N ATOM 972 CA ARG A 64 -17.791 6.730 -3.298 1.00 0.00 C ATOM 973 C ARG A 64 -17.589 5.867 -4.538 1.00 0.00 C ATOM 974 O ARG A 64 -18.141 4.772 -4.623 1.00 0.00 O ATOM 975 CB ARG A 64 -19.074 7.553 -3.468 1.00 0.00 C ATOM 976 CG ARG A 64 -19.394 8.455 -2.273 1.00 0.00 C ATOM 977 CD ARG A 64 -19.768 7.661 -1.027 1.00 0.00 C ATOM 978 NE ARG A 64 -20.066 8.575 0.081 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.465 8.198 1.299 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.644 6.916 1.603 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.686 9.126 2.224 1.00 0.00 N ATOM 0 H ARG A 64 -16.888 8.618 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.872 6.088 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.983 8.170 -4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.911 6.874 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.530 9.083 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.215 9.122 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.634 7.032 -1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.950 6.996 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.961 9.575 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.476 6.197 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.949 6.652 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.551 10.112 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.991 8.853 3.158 1.00 0.00 H new ATOM 995 N ALA A 65 -16.797 6.351 -5.497 1.00 0.00 N ATOM 996 CA ALA A 65 -16.547 5.628 -6.732 1.00 0.00 C ATOM 997 C ALA A 65 -15.683 4.396 -6.477 1.00 0.00 C ATOM 998 O ALA A 65 -15.958 3.332 -7.026 1.00 0.00 O ATOM 999 CB ALA A 65 -15.856 6.561 -7.724 1.00 0.00 C ATOM 0 H ALA A 65 -16.317 7.249 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.497 5.290 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.665 6.026 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.498 7.419 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.912 6.905 -7.303 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.642 4.529 -5.647 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.759 3.402 -5.373 1.00 0.00 C ATOM 1007 C ALA A 66 -14.235 2.582 -4.173 1.00 0.00 C ATOM 1008 O ALA A 66 -13.958 1.386 -4.099 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.347 3.923 -5.152 1.00 0.00 C ATOM 0 H ALA A 66 -14.397 5.393 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.772 2.731 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.679 3.087 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.008 4.447 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.341 4.609 -4.305 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.951 3.208 -3.236 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.493 2.518 -2.074 1.00 0.00 C ATOM 1017 C VAL A 67 -16.653 1.608 -2.478 1.00 0.00 C ATOM 1018 O VAL A 67 -16.974 0.667 -1.760 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.892 3.544 -1.003 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.786 2.917 0.063 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.622 4.076 -0.339 1.00 0.00 C ATOM 0 H VAL A 67 -15.168 4.204 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.729 1.872 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.448 4.349 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.050 3.670 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.694 2.533 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.254 2.099 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.889 4.806 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.080 3.251 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.990 4.551 -1.090 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.280 1.885 -3.623 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.295 1.001 -4.176 1.00 0.00 C ATOM 1033 C ALA A 68 -17.797 0.275 -5.427 1.00 0.00 C ATOM 1034 O ALA A 68 -18.455 -0.654 -5.898 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.560 1.808 -4.464 1.00 0.00 C ATOM 0 H ALA A 68 -17.098 2.718 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.523 0.227 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.324 1.151 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.927 2.252 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.333 2.597 -5.180 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.646 0.681 -5.971 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.108 0.089 -7.188 1.00 0.00 C ATOM 1043 C GLY A 69 -15.123 -1.050 -6.931 1.00 0.00 C ATOM 1044 O GLY A 69 -15.159 -2.065 -7.628 1.00 0.00 O ATOM 0 H GLY A 69 -16.068 1.425 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.932 -0.285 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.610 0.865 -7.770 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.245 -0.898 -5.936 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.196 -1.871 -5.648 1.00 0.00 C ATOM 1050 C GLU A 70 -13.495 -2.687 -4.393 1.00 0.00 C ATOM 1051 O GLU A 70 -12.848 -3.706 -4.160 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.863 -1.139 -5.489 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.420 -0.473 -6.789 1.00 0.00 C ATOM 1054 CD GLU A 70 -11.046 -1.509 -7.849 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -11.954 -1.944 -8.591 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -9.849 -1.857 -7.907 1.00 0.00 O ATOM 0 H GLU A 70 -14.244 -0.094 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.147 -2.570 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.954 -0.385 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.098 -1.844 -5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.222 0.162 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.565 0.175 -6.594 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.458 -2.275 -3.569 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.730 -2.987 -2.332 1.00 0.00 C ATOM 1065 C ASP A 71 -15.102 -4.444 -2.614 1.00 0.00 C ATOM 1066 O ASP A 71 -15.964 -4.725 -3.446 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.832 -2.263 -1.561 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.258 -3.057 -0.330 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.351 -3.570 0.365 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.486 -3.146 -0.092 1.00 0.00 O ATOM 0 H ASP A 71 -15.052 -1.463 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.830 -3.001 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.479 -1.277 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.692 -2.107 -2.212 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.445 -5.370 -1.912 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.701 -6.795 -2.041 1.00 0.00 C ATOM 1077 C GLY A 72 -13.917 -7.434 -3.189 1.00 0.00 C ATOM 1078 O GLY A 72 -14.203 -8.571 -3.562 1.00 0.00 O ATOM 0 H GLY A 72 -13.716 -5.144 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.440 -7.293 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.767 -6.955 -2.201 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.931 -6.728 -3.754 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.150 -7.259 -4.866 1.00 0.00 C ATOM 1084 C ARG A 73 -10.914 -7.999 -4.376 1.00 0.00 C ATOM 1085 O ARG A 73 -10.479 -7.794 -3.247 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.779 -6.162 -5.866 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.542 -5.356 -5.456 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.960 -4.637 -6.670 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.266 -5.587 -7.550 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.605 -5.249 -8.657 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.551 -3.982 -9.058 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.991 -6.185 -9.373 1.00 0.00 N ATOM 0 H ARG A 73 -12.659 -5.791 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.780 -7.980 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.601 -6.615 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.624 -5.483 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.809 -4.631 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.793 -6.019 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.757 -4.138 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.266 -3.863 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.292 -6.575 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.019 -3.255 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.042 -3.737 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.026 -7.160 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.485 -5.929 -10.220 1.00 0.00 H new ATOM 1106 N MET A 74 -10.342 -8.855 -5.221 1.00 0.00 N ATOM 1107 CA MET A 74 -9.123 -9.568 -4.880 1.00 0.00 C ATOM 1108 C MET A 74 -7.898 -8.880 -5.472 1.00 0.00 C ATOM 1109 O MET A 74 -7.918 -8.438 -6.621 1.00 0.00 O ATOM 1110 CB MET A 74 -9.223 -11.031 -5.321 1.00 0.00 C ATOM 1111 CG MET A 74 -7.885 -11.734 -5.107 1.00 0.00 C ATOM 1112 SD MET A 74 -8.000 -13.531 -4.976 1.00 0.00 S ATOM 1113 CE MET A 74 -8.755 -13.602 -3.336 1.00 0.00 C ATOM 0 H MET A 74 -10.708 -9.069 -6.149 1.00 0.00 H new ATOM 0 HA MET A 74 -9.003 -9.552 -3.797 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.004 -11.538 -4.754 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.507 -11.084 -6.372 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.220 -11.484 -5.934 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.425 -11.344 -4.199 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.301 -14.409 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.595 -12.655 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.825 -13.784 -3.436 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.831 -8.804 -4.671 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.541 -8.266 -5.067 1.00 0.00 C ATOM 1125 C ILE A 75 -4.466 -9.103 -4.378 1.00 0.00 C ATOM 1126 O ILE A 75 -4.582 -9.406 -3.192 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.428 -6.786 -4.663 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.593 -5.968 -5.247 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.090 -6.208 -5.141 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.595 -4.522 -4.751 1.00 0.00 C ATOM 0 H ILE A 75 -6.849 -9.126 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.420 -8.314 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.476 -6.725 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.530 -5.976 -6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.537 -6.443 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.021 -5.160 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.270 -6.765 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.026 -6.287 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.436 -3.987 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.687 -4.510 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.664 -4.036 -5.042 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.421 -9.478 -5.120 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.325 -10.298 -4.620 1.00 0.00 C ATOM 1144 C ALA A 76 -2.763 -11.613 -3.966 1.00 0.00 C ATOM 1145 O ALA A 76 -1.961 -12.239 -3.271 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.449 -9.463 -3.689 1.00 0.00 C ATOM 0 H ALA A 76 -3.315 -9.214 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.744 -10.613 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.629 -10.076 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.045 -8.611 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.047 -9.105 -2.851 1.00 0.00 H new ATOM 1152 N GLY A 77 -4.011 -12.050 -4.166 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.481 -13.329 -3.650 1.00 0.00 C ATOM 1154 C GLY A 77 -5.337 -13.192 -2.393 1.00 0.00 C ATOM 1155 O GLY A 77 -5.771 -14.202 -1.839 1.00 0.00 O ATOM 0 H GLY A 77 -4.715 -11.527 -4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.060 -13.835 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.622 -13.962 -3.430 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.585 -11.963 -1.931 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.467 -11.706 -0.798 1.00 0.00 C ATOM 1161 C GLN A 78 -7.481 -10.626 -1.162 1.00 0.00 C ATOM 1162 O GLN A 78 -7.243 -9.811 -2.052 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.670 -11.272 0.440 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.880 -12.429 1.054 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.381 -12.181 0.982 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.743 -11.886 1.988 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.812 -12.296 -0.215 1.00 0.00 N ATOM 0 H GLN A 78 -5.177 -11.120 -2.335 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.989 -12.633 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.984 -10.471 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.353 -10.865 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.178 -12.563 2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.122 -13.354 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.378 -12.543 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.810 -12.137 -0.321 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.620 -10.625 -0.470 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.649 -9.609 -0.662 1.00 0.00 C ATOM 1178 C VAL A 79 -9.457 -8.506 0.370 1.00 0.00 C ATOM 1179 O VAL A 79 -8.999 -8.754 1.484 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.050 -10.223 -0.579 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.140 -9.159 -0.705 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.232 -11.231 -1.714 1.00 0.00 C ATOM 0 H VAL A 79 -8.853 -11.325 0.235 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.553 -9.179 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.141 -10.707 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.120 -9.632 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.035 -8.433 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.044 -8.651 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.229 -11.668 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.113 -10.725 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.484 -12.019 -1.624 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.815 -7.282 -0.016 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.676 -6.103 0.818 1.00 0.00 C ATOM 1194 C LEU A 80 -11.047 -5.489 1.068 1.00 0.00 C ATOM 1195 O LEU A 80 -11.899 -5.454 0.181 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.668 -5.088 0.247 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.409 -5.093 -1.265 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.711 -6.363 -1.751 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.695 -4.862 -2.046 1.00 0.00 C ATOM 0 H LEU A 80 -10.216 -7.085 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.257 -6.409 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.009 -4.090 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.714 -5.249 0.748 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.726 -4.265 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.557 -6.304 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.747 -6.462 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.330 -7.230 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.479 -4.871 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.409 -5.652 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.120 -3.897 -1.770 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.244 -5.007 2.295 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.492 -4.407 2.727 1.00 0.00 C ATOM 1213 C ASP A 81 -12.349 -2.892 2.630 1.00 0.00 C ATOM 1214 O ASP A 81 -11.690 -2.276 3.464 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.784 -4.874 4.156 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.093 -4.304 4.690 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.093 -4.344 3.941 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.081 -3.830 5.849 1.00 0.00 O ATOM 0 H ASP A 81 -10.528 -5.026 3.021 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.330 -4.709 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.827 -5.963 4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.965 -4.573 4.809 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.968 -2.303 1.606 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.838 -0.884 1.332 1.00 0.00 C ATOM 1225 C ILE A 82 -14.081 -0.151 1.826 1.00 0.00 C ATOM 1226 O ILE A 82 -15.202 -0.634 1.662 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.588 -0.673 -0.162 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.305 -1.404 -0.582 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.472 0.815 -0.481 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.222 -1.516 -2.100 1.00 0.00 C ATOM 0 H ILE A 82 -13.570 -2.800 0.949 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.984 -0.470 1.867 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.432 -1.080 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.435 -0.868 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.285 -2.399 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.294 0.945 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.397 1.320 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.642 1.244 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.306 -2.037 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.082 -2.073 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.219 -0.518 -2.539 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.879 1.018 2.436 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.963 1.793 3.014 1.00 0.00 C ATOM 1244 C ASN A 83 -14.569 3.265 3.077 1.00 0.00 C ATOM 1245 O ASN A 83 -13.398 3.603 2.918 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.245 1.243 4.418 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.582 1.722 4.958 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.616 1.112 4.695 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.587 2.810 5.721 1.00 0.00 N ATOM 0 H ASN A 83 -12.960 1.448 2.540 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.862 1.713 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.235 0.153 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.449 1.552 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.465 3.159 6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.713 3.296 5.922 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.539 4.151 3.312 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.230 5.549 3.547 1.00 0.00 C ATOM 1258 C LEU A 84 -14.459 5.660 4.861 1.00 0.00 C ATOM 1259 O LEU A 84 -14.506 4.751 5.690 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.512 6.386 3.610 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.486 7.521 2.586 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.974 7.035 1.225 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.385 8.643 3.086 1.00 0.00 C ATOM 0 H LEU A 84 -16.532 3.922 3.343 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.625 5.932 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.375 5.747 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.630 6.800 4.612 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.463 7.878 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.947 7.860 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.329 6.230 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.996 6.667 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.379 9.462 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.403 8.270 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.019 9.002 4.048 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.747 6.768 5.071 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.917 6.928 6.258 1.00 0.00 C ATOM 1277 C ALA A 85 -13.714 7.410 7.473 1.00 0.00 C ATOM 1278 O ALA A 85 -13.155 7.516 8.564 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.796 7.906 5.935 1.00 0.00 C ATOM 0 H ALA A 85 -13.731 7.564 4.434 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.510 5.953 6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.164 8.038 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.197 7.514 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.223 8.867 5.648 1.00 0.00 H new ATOM 1285 N ALA A 86 -15.007 7.700 7.301 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.846 8.202 8.379 1.00 0.00 C ATOM 1287 C ALA A 86 -17.172 7.444 8.467 1.00 0.00 C ATOM 1288 O ALA A 86 -18.090 7.892 9.154 1.00 0.00 O ATOM 1289 CB ALA A 86 -16.071 9.697 8.175 1.00 0.00 C ATOM 0 H ALA A 86 -15.495 7.592 6.412 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.337 8.040 9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.699 10.083 8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.111 10.214 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.564 9.863 7.217 1.00 0.00 H new