USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 617 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 63 SER OG : rot 80:sc= 0.0269 USER MOD Set 1.2: A 64 GLN : amide:sc= 0.592 K(o=0.62,f=-5!) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.0495 K(o=0.2,f=-7.5!) USER MOD Set 2.2: A 34 TYR OH : rot 71:sc= 0.152 USER MOD Single : A 11 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 13 GLN : amide:sc= -0.0655 K(o=-0.066,f=-0.64) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= 0.133 (180deg=0.0671) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 31 GLN : amide:sc= -0.0441 K(o=-0.044,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 95:sc= 1.05 USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.154) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -21:sc= -0.412 USER MOD Single : A 65 ASN : amide:sc= -14! C(o=-14!,f=-20!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.415 7.026 -13.691 1.00 0.00 N ATOM 60 CA GLY A 7 5.011 6.652 -13.721 1.00 0.00 C ATOM 61 C GLY A 7 4.467 6.447 -12.306 1.00 0.00 C ATOM 62 O GLY A 7 4.882 5.526 -11.605 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.435 7.427 -14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.888 5.736 -14.298 1.00 0.00 H new ATOM 66 N LEU A 8 3.546 7.322 -11.928 1.00 0.00 N ATOM 67 CA LEU A 8 2.941 7.249 -10.609 1.00 0.00 C ATOM 68 C LEU A 8 2.591 5.793 -10.294 1.00 0.00 C ATOM 69 O LEU A 8 3.226 5.169 -9.444 1.00 0.00 O ATOM 70 CB LEU A 8 1.748 8.202 -10.514 1.00 0.00 C ATOM 71 CG LEU A 8 2.087 9.687 -10.370 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.815 10.534 -10.286 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.014 9.925 -9.176 1.00 0.00 C ATOM 0 H LEU A 8 3.204 8.085 -12.512 1.00 0.00 H new ATOM 0 HA LEU A 8 3.646 7.580 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.134 8.074 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.137 7.905 -9.661 1.00 0.00 H new ATOM 0 HG LEU A 8 2.626 10.002 -11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.084 11.585 -10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.226 10.396 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.228 10.224 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.239 10.989 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.524 9.589 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.940 9.368 -9.318 1.00 0.00 H new ATOM 85 N ARG A 9 1.583 5.295 -10.994 1.00 0.00 N ATOM 86 CA ARG A 9 1.141 3.924 -10.799 1.00 0.00 C ATOM 87 C ARG A 9 2.345 3.005 -10.578 1.00 0.00 C ATOM 88 O ARG A 9 2.352 2.198 -9.650 1.00 0.00 O ATOM 89 CB ARG A 9 0.342 3.426 -12.004 1.00 0.00 C ATOM 90 CG ARG A 9 -1.011 2.860 -11.569 1.00 0.00 C ATOM 91 CD ARG A 9 -1.437 1.701 -12.473 1.00 0.00 C ATOM 92 NE ARG A 9 -1.426 2.132 -13.888 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.412 1.904 -14.735 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.677 1.248 -14.314 1.00 0.00 N ATOM 95 NH2 ARG A 9 -0.489 2.332 -16.003 1.00 0.00 N ATOM 0 H ARG A 9 1.059 5.816 -11.697 1.00 0.00 H new ATOM 0 HA ARG A 9 0.498 3.905 -9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.189 4.245 -12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.910 2.658 -12.529 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.951 2.517 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.765 3.646 -11.600 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.762 0.856 -12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.435 1.361 -12.196 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.241 2.634 -14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.735 0.922 -13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.449 1.074 -14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.319 2.831 -16.323 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.282 2.159 -16.648 1.00 0.00 H new ATOM 109 N GLU A 10 3.333 3.159 -11.447 1.00 0.00 N ATOM 110 CA GLU A 10 4.539 2.353 -11.358 1.00 0.00 C ATOM 111 C GLU A 10 5.205 2.542 -9.994 1.00 0.00 C ATOM 112 O GLU A 10 5.573 1.568 -9.339 1.00 0.00 O ATOM 113 CB GLU A 10 5.508 2.689 -12.494 1.00 0.00 C ATOM 114 CG GLU A 10 5.400 1.669 -13.628 1.00 0.00 C ATOM 115 CD GLU A 10 6.496 0.607 -13.517 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.610 0.888 -14.010 1.00 0.00 O ATOM 117 OE2 GLU A 10 6.196 -0.461 -12.942 1.00 0.00 O ATOM 0 H GLU A 10 3.323 3.829 -12.216 1.00 0.00 H new ATOM 0 HA GLU A 10 4.260 1.304 -11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.293 3.687 -12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.529 2.707 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.421 1.191 -13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.478 2.178 -14.589 1.00 0.00 H new ATOM 124 N GLN A 11 5.341 3.802 -9.607 1.00 0.00 N ATOM 125 CA GLN A 11 5.956 4.131 -8.333 1.00 0.00 C ATOM 126 C GLN A 11 5.270 3.367 -7.199 1.00 0.00 C ATOM 127 O GLN A 11 5.911 2.592 -6.491 1.00 0.00 O ATOM 128 CB GLN A 11 5.918 5.639 -8.079 1.00 0.00 C ATOM 129 CG GLN A 11 7.138 6.329 -8.694 1.00 0.00 C ATOM 130 CD GLN A 11 7.515 7.584 -7.902 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.215 7.532 -6.904 1.00 0.00 O ATOM 132 NE2 GLN A 11 7.014 8.709 -8.402 1.00 0.00 N ATOM 0 H GLN A 11 5.036 4.607 -10.154 1.00 0.00 H new ATOM 0 HA GLN A 11 7.002 3.828 -8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.006 6.060 -8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.890 5.830 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.981 5.638 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.925 6.598 -9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.435 8.681 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.208 9.601 -7.946 1.00 0.00 H new ATOM 141 N VAL A 12 3.975 3.613 -7.061 1.00 0.00 N ATOM 142 CA VAL A 12 3.195 2.958 -6.025 1.00 0.00 C ATOM 143 C VAL A 12 3.251 1.443 -6.232 1.00 0.00 C ATOM 144 O VAL A 12 3.494 0.692 -5.288 1.00 0.00 O ATOM 145 CB VAL A 12 1.767 3.508 -6.018 1.00 0.00 C ATOM 146 CG1 VAL A 12 0.994 3.010 -4.796 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.769 5.037 -6.081 1.00 0.00 C ATOM 0 H VAL A 12 3.447 4.257 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 12 3.614 3.168 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 12 1.260 3.137 -6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.018 3.415 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.949 1.921 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.499 3.338 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.742 5.403 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.302 5.436 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.265 5.363 -6.995 1.00 0.00 H new ATOM 157 N GLN A 13 3.021 1.038 -7.473 1.00 0.00 N ATOM 158 CA GLN A 13 3.042 -0.374 -7.815 1.00 0.00 C ATOM 159 C GLN A 13 4.326 -1.026 -7.299 1.00 0.00 C ATOM 160 O GLN A 13 4.362 -2.233 -7.065 1.00 0.00 O ATOM 161 CB GLN A 13 2.894 -0.574 -9.325 1.00 0.00 C ATOM 162 CG GLN A 13 1.420 -0.668 -9.724 1.00 0.00 C ATOM 163 CD GLN A 13 1.214 -1.720 -10.816 1.00 0.00 C ATOM 164 OE1 GLN A 13 0.862 -1.420 -11.944 1.00 0.00 O ATOM 165 NE2 GLN A 13 1.451 -2.967 -10.417 1.00 0.00 N ATOM 0 H GLN A 13 2.819 1.663 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 13 2.193 -0.858 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.365 0.255 -9.853 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.415 -1.482 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.819 -0.922 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.073 0.302 -10.079 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.743 -3.148 -9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.340 -3.742 -11.071 1.00 0.00 H new ATOM 174 N ASP A 14 5.348 -0.199 -7.136 1.00 0.00 N ATOM 175 CA ASP A 14 6.630 -0.681 -6.651 1.00 0.00 C ATOM 176 C ASP A 14 6.706 -0.481 -5.136 1.00 0.00 C ATOM 177 O ASP A 14 7.233 -1.331 -4.420 1.00 0.00 O ATOM 178 CB ASP A 14 7.786 0.093 -7.288 1.00 0.00 C ATOM 179 CG ASP A 14 9.064 -0.718 -7.509 1.00 0.00 C ATOM 180 OD1 ASP A 14 8.952 -1.796 -8.132 1.00 0.00 O ATOM 181 OD2 ASP A 14 10.125 -0.242 -7.049 1.00 0.00 O ATOM 0 H ASP A 14 5.314 0.802 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 14 6.714 -1.736 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.454 0.488 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.022 0.949 -6.656 1.00 0.00 H new ATOM 186 N LEU A 15 6.171 0.647 -4.693 1.00 0.00 N ATOM 187 CA LEU A 15 6.172 0.970 -3.276 1.00 0.00 C ATOM 188 C LEU A 15 5.664 -0.236 -2.483 1.00 0.00 C ATOM 189 O LEU A 15 6.437 -0.900 -1.793 1.00 0.00 O ATOM 190 CB LEU A 15 5.379 2.253 -3.018 1.00 0.00 C ATOM 191 CG LEU A 15 5.162 2.624 -1.550 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.494 2.910 -0.854 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.184 3.792 -1.418 1.00 0.00 C ATOM 0 H LEU A 15 5.734 1.349 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 15 7.186 1.175 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.893 3.079 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.404 2.156 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 15 4.712 1.769 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.311 3.171 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.126 2.023 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.995 3.739 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.048 4.035 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.582 4.661 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.224 3.514 -1.853 1.00 0.00 H new ATOM 205 N PHE A 16 4.369 -0.483 -2.607 1.00 0.00 N ATOM 206 CA PHE A 16 3.749 -1.598 -1.911 1.00 0.00 C ATOM 207 C PHE A 16 4.635 -2.844 -1.973 1.00 0.00 C ATOM 208 O PHE A 16 4.799 -3.543 -0.975 1.00 0.00 O ATOM 209 CB PHE A 16 2.427 -1.890 -2.623 1.00 0.00 C ATOM 210 CG PHE A 16 1.328 -0.863 -2.341 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.612 0.256 -1.623 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.068 -1.070 -2.810 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.592 1.209 -1.362 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.952 -0.116 -2.549 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.668 1.003 -1.830 1.00 0.00 C ATOM 0 H PHE A 16 3.731 0.070 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 16 3.598 -1.344 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.606 -1.930 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.074 -2.876 -2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.613 0.420 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.157 -1.959 -3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.817 2.098 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.953 -0.279 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.443 1.728 -1.631 1.00 0.00 H new ATOM 225 N ASN A 17 5.181 -3.084 -3.156 1.00 0.00 N ATOM 226 CA ASN A 17 6.046 -4.234 -3.362 1.00 0.00 C ATOM 227 C ASN A 17 7.295 -4.088 -2.491 1.00 0.00 C ATOM 228 O ASN A 17 7.591 -4.958 -1.674 1.00 0.00 O ATOM 229 CB ASN A 17 6.494 -4.331 -4.821 1.00 0.00 C ATOM 230 CG ASN A 17 5.405 -4.965 -5.689 1.00 0.00 C ATOM 231 OD1 ASN A 17 4.546 -5.693 -5.219 1.00 0.00 O ATOM 232 ND2 ASN A 17 5.487 -4.647 -6.977 1.00 0.00 N ATOM 0 H ASN A 17 5.041 -2.502 -3.982 1.00 0.00 H new ATOM 0 HA ASN A 17 5.486 -5.131 -3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.732 -3.337 -5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.407 -4.923 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.805 -5.018 -7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.232 -4.032 -7.304 1.00 0.00 H new ATOM 239 N LYS A 18 7.995 -2.982 -2.697 1.00 0.00 N ATOM 240 CA LYS A 18 9.207 -2.712 -1.941 1.00 0.00 C ATOM 241 C LYS A 18 8.904 -2.821 -0.445 1.00 0.00 C ATOM 242 O LYS A 18 9.518 -3.621 0.259 1.00 0.00 O ATOM 243 CB LYS A 18 9.804 -1.364 -2.351 1.00 0.00 C ATOM 244 CG LYS A 18 11.331 -1.438 -2.412 1.00 0.00 C ATOM 245 CD LYS A 18 11.962 -0.122 -1.953 1.00 0.00 C ATOM 246 CE LYS A 18 13.083 0.309 -2.901 1.00 0.00 C ATOM 247 NZ LYS A 18 13.841 1.442 -2.326 1.00 0.00 N ATOM 0 H LYS A 18 7.746 -2.263 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 18 9.971 -3.455 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.411 -1.069 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.501 -0.596 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.685 -2.254 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.648 -1.661 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.199 0.655 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.358 -0.237 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.755 -0.530 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.662 0.597 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.598 1.722 -2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.200 2.247 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.259 1.155 -1.418 1.00 0.00 H new ATOM 261 N LYS A 19 7.958 -2.006 -0.004 1.00 0.00 N ATOM 262 CA LYS A 19 7.567 -2.000 1.395 1.00 0.00 C ATOM 263 C LYS A 19 7.506 -3.441 1.909 1.00 0.00 C ATOM 264 O LYS A 19 8.081 -3.758 2.949 1.00 0.00 O ATOM 265 CB LYS A 19 6.262 -1.225 1.584 1.00 0.00 C ATOM 266 CG LYS A 19 6.535 0.268 1.780 1.00 0.00 C ATOM 267 CD LYS A 19 6.929 0.569 3.227 1.00 0.00 C ATOM 268 CE LYS A 19 7.755 1.853 3.315 1.00 0.00 C ATOM 269 NZ LYS A 19 8.477 1.918 4.605 1.00 0.00 N ATOM 0 H LYS A 19 7.450 -1.344 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 19 8.311 -1.477 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.620 -1.370 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.724 -1.617 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.332 0.586 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.647 0.841 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.032 0.667 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.502 -0.265 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.467 1.891 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.102 2.720 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.704 2.909 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.878 1.523 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.357 1.368 4.538 1.00 0.00 H new ATOM 283 N TYR A 20 6.804 -4.274 1.155 1.00 0.00 N ATOM 284 CA TYR A 20 6.660 -5.673 1.521 1.00 0.00 C ATOM 285 C TYR A 20 7.972 -6.232 2.077 1.00 0.00 C ATOM 286 O TYR A 20 7.998 -6.786 3.175 1.00 0.00 O ATOM 287 CB TYR A 20 6.312 -6.413 0.228 1.00 0.00 C ATOM 288 CG TYR A 20 5.508 -7.697 0.443 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.196 -7.626 0.866 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.094 -8.925 0.215 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.438 -8.834 1.068 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.337 -10.133 0.417 1.00 0.00 C ATOM 293 CZ TYR A 20 4.046 -10.028 0.834 1.00 0.00 C ATOM 294 OH TYR A 20 3.331 -11.169 1.025 1.00 0.00 O ATOM 0 H TYR A 20 6.329 -4.007 0.293 1.00 0.00 H new ATOM 0 HA TYR A 20 5.897 -5.792 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.744 -5.745 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.235 -6.658 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.738 -6.665 1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.121 -8.980 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.410 -8.793 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.784 -11.101 0.242 1.00 0.00 H new ATOM 0 HH TYR A 20 3.892 -11.945 0.818 1.00 0.00 H new ATOM 304 N GLY A 21 9.028 -6.066 1.294 1.00 0.00 N ATOM 305 CA GLY A 21 10.339 -6.547 1.694 1.00 0.00 C ATOM 306 C GLY A 21 10.602 -6.255 3.173 1.00 0.00 C ATOM 307 O GLY A 21 11.222 -7.059 3.867 1.00 0.00 O ATOM 0 H GLY A 21 9.002 -5.605 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.407 -7.620 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.107 -6.072 1.084 1.00 0.00 H new ATOM 311 N GLU A 22 10.118 -5.102 3.610 1.00 0.00 N ATOM 312 CA GLU A 22 10.294 -4.693 4.994 1.00 0.00 C ATOM 313 C GLU A 22 9.405 -5.535 5.912 1.00 0.00 C ATOM 314 O GLU A 22 9.894 -6.160 6.852 1.00 0.00 O ATOM 315 CB GLU A 22 10.003 -3.201 5.166 1.00 0.00 C ATOM 316 CG GLU A 22 10.812 -2.367 4.170 1.00 0.00 C ATOM 317 CD GLU A 22 10.495 -0.877 4.319 1.00 0.00 C ATOM 318 OE1 GLU A 22 11.058 -0.268 5.254 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.696 -0.382 3.495 1.00 0.00 O ATOM 0 H GLU A 22 9.604 -4.438 3.031 1.00 0.00 H new ATOM 0 HA GLU A 22 11.334 -4.861 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.939 -3.015 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.245 -2.894 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.877 -2.534 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.589 -2.690 3.153 1.00 0.00 H new ATOM 326 N ALA A 23 8.116 -5.523 5.608 1.00 0.00 N ATOM 327 CA ALA A 23 7.155 -6.277 6.395 1.00 0.00 C ATOM 328 C ALA A 23 7.707 -7.679 6.659 1.00 0.00 C ATOM 329 O ALA A 23 7.417 -8.279 7.694 1.00 0.00 O ATOM 330 CB ALA A 23 5.810 -6.308 5.665 1.00 0.00 C ATOM 0 H ALA A 23 7.714 -5.003 4.828 1.00 0.00 H new ATOM 0 HA ALA A 23 6.991 -5.800 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.089 -6.874 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.447 -5.289 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.935 -6.783 4.692 1.00 0.00 H new ATOM 336 N LEU A 24 8.492 -8.161 5.707 1.00 0.00 N ATOM 337 CA LEU A 24 9.087 -9.481 5.824 1.00 0.00 C ATOM 338 C LEU A 24 10.510 -9.347 6.370 1.00 0.00 C ATOM 339 O LEU A 24 11.018 -10.260 7.020 1.00 0.00 O ATOM 340 CB LEU A 24 9.008 -10.225 4.490 1.00 0.00 C ATOM 341 CG LEU A 24 7.612 -10.360 3.879 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.689 -10.902 2.450 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.705 -11.213 4.768 1.00 0.00 C ATOM 0 H LEU A 24 8.730 -7.661 4.851 1.00 0.00 H new ATOM 0 HA LEU A 24 8.528 -10.089 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.649 -9.713 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.420 -11.224 4.629 1.00 0.00 H new ATOM 0 HG LEU A 24 7.166 -9.367 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.683 -10.988 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.276 -10.221 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.163 -11.883 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.719 -11.293 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.136 -12.208 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.613 -10.746 5.749 1.00 0.00 H new ATOM 355 N GLY A 25 11.114 -8.202 6.087 1.00 0.00 N ATOM 356 CA GLY A 25 12.468 -7.937 6.542 1.00 0.00 C ATOM 357 C GLY A 25 13.483 -8.208 5.429 1.00 0.00 C ATOM 358 O GLY A 25 14.649 -7.835 5.544 1.00 0.00 O ATOM 0 H GLY A 25 10.690 -7.447 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.549 -6.900 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.694 -8.562 7.406 1.00 0.00 H new ATOM 362 N ILE A 26 13.001 -8.854 4.377 1.00 0.00 N ATOM 363 CA ILE A 26 13.852 -9.179 3.245 1.00 0.00 C ATOM 364 C ILE A 26 14.716 -7.965 2.897 1.00 0.00 C ATOM 365 O ILE A 26 14.448 -6.856 3.356 1.00 0.00 O ATOM 366 CB ILE A 26 13.012 -9.692 2.074 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.729 -11.189 2.216 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.675 -9.358 0.736 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.452 -11.579 1.468 1.00 0.00 C ATOM 0 H ILE A 26 12.033 -9.161 4.285 1.00 0.00 H new ATOM 0 HA ILE A 26 14.532 -9.992 3.500 1.00 0.00 H new ATOM 0 HB ILE A 26 12.050 -9.180 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.572 -11.761 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.630 -11.446 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.058 -9.734 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.782 -8.277 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.659 -9.825 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.274 -12.648 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.607 -11.024 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.564 -11.344 0.410 1.00 0.00 H new ATOM 381 N LYS A 27 15.735 -8.217 2.089 1.00 0.00 N ATOM 382 CA LYS A 27 16.640 -7.158 1.674 1.00 0.00 C ATOM 383 C LYS A 27 16.370 -6.807 0.210 1.00 0.00 C ATOM 384 O LYS A 27 16.479 -5.646 -0.184 1.00 0.00 O ATOM 385 CB LYS A 27 18.091 -7.554 1.954 1.00 0.00 C ATOM 386 CG LYS A 27 18.613 -6.869 3.219 1.00 0.00 C ATOM 387 CD LYS A 27 19.649 -5.798 2.875 1.00 0.00 C ATOM 388 CE LYS A 27 20.422 -5.363 4.122 1.00 0.00 C ATOM 389 NZ LYS A 27 21.608 -4.563 3.743 1.00 0.00 N ATOM 0 H LYS A 27 15.954 -9.138 1.711 1.00 0.00 H new ATOM 0 HA LYS A 27 16.462 -6.254 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.161 -8.636 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.717 -7.281 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.783 -6.416 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.058 -7.611 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.343 -6.185 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.152 -4.935 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.773 -4.777 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.734 -6.240 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.121 -4.276 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 22.234 -5.134 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.303 -3.716 3.222 1.00 0.00 H new ATOM 403 N TYR A 28 16.022 -7.830 -0.557 1.00 0.00 N ATOM 404 CA TYR A 28 15.735 -7.643 -1.969 1.00 0.00 C ATOM 405 C TYR A 28 14.290 -7.185 -2.179 1.00 0.00 C ATOM 406 O TYR A 28 13.460 -7.304 -1.279 1.00 0.00 O ATOM 407 CB TYR A 28 15.923 -9.014 -2.622 1.00 0.00 C ATOM 408 CG TYR A 28 15.251 -10.161 -1.865 1.00 0.00 C ATOM 409 CD1 TYR A 28 13.913 -10.432 -2.068 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.983 -10.925 -0.979 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.281 -11.512 -1.356 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.351 -12.005 -0.266 1.00 0.00 C ATOM 413 CZ TYR A 28 14.031 -12.245 -0.490 1.00 0.00 C ATOM 414 OH TYR A 28 13.434 -13.265 0.183 1.00 0.00 O ATOM 0 H TYR A 28 15.932 -8.791 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 28 16.389 -6.883 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.525 -8.980 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.990 -9.222 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.340 -9.834 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.030 -10.713 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.235 -11.735 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.912 -12.610 0.430 1.00 0.00 H new ATOM 0 HH TYR A 28 14.091 -13.701 0.765 1.00 0.00 H new ATOM 424 N PRO A 29 14.027 -6.658 -3.405 1.00 0.00 N ATOM 425 CA PRO A 29 12.697 -6.181 -3.745 1.00 0.00 C ATOM 426 C PRO A 29 11.746 -7.351 -4.006 1.00 0.00 C ATOM 427 O PRO A 29 11.915 -8.088 -4.976 1.00 0.00 O ATOM 428 CB PRO A 29 12.897 -5.294 -4.963 1.00 0.00 C ATOM 429 CG PRO A 29 14.251 -5.675 -5.538 1.00 0.00 C ATOM 430 CD PRO A 29 14.986 -6.501 -4.495 1.00 0.00 C ATOM 0 HA PRO A 29 12.230 -5.622 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.104 -5.450 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.873 -4.240 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.128 -6.245 -6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.823 -4.782 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.290 -7.467 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.891 -5.997 -4.157 1.00 0.00 H new ATOM 438 N VAL A 30 10.767 -7.485 -3.123 1.00 0.00 N ATOM 439 CA VAL A 30 9.789 -8.552 -3.246 1.00 0.00 C ATOM 440 C VAL A 30 8.514 -7.998 -3.885 1.00 0.00 C ATOM 441 O VAL A 30 8.283 -6.790 -3.872 1.00 0.00 O ATOM 442 CB VAL A 30 9.543 -9.196 -1.880 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.757 -10.501 -2.023 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.860 -9.428 -1.138 1.00 0.00 C ATOM 0 H VAL A 30 10.630 -6.872 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 30 10.163 -9.340 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 30 8.942 -8.506 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.596 -10.938 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.794 -10.296 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.320 -11.199 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.657 -9.887 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.497 -10.089 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.366 -8.474 -0.988 1.00 0.00 H new ATOM 454 N GLN A 31 7.719 -8.908 -4.428 1.00 0.00 N ATOM 455 CA GLN A 31 6.473 -8.526 -5.070 1.00 0.00 C ATOM 456 C GLN A 31 5.282 -8.916 -4.193 1.00 0.00 C ATOM 457 O GLN A 31 5.237 -10.023 -3.658 1.00 0.00 O ATOM 458 CB GLN A 31 6.358 -9.153 -6.461 1.00 0.00 C ATOM 459 CG GLN A 31 7.256 -8.428 -7.466 1.00 0.00 C ATOM 460 CD GLN A 31 6.764 -8.647 -8.898 1.00 0.00 C ATOM 461 OE1 GLN A 31 5.582 -8.584 -9.193 1.00 0.00 O ATOM 462 NE2 GLN A 31 7.735 -8.909 -9.769 1.00 0.00 N ATOM 0 H GLN A 31 7.914 -9.909 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 31 6.468 -7.443 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.636 -10.206 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.322 -9.112 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.271 -7.361 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.280 -8.789 -7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.705 -8.947 -9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.510 -9.072 -10.750 1.00 0.00 H new ATOM 471 N VAL A 32 4.347 -7.985 -4.072 1.00 0.00 N ATOM 472 CA VAL A 32 3.159 -8.217 -3.269 1.00 0.00 C ATOM 473 C VAL A 32 2.183 -9.098 -4.051 1.00 0.00 C ATOM 474 O VAL A 32 1.871 -8.811 -5.206 1.00 0.00 O ATOM 475 CB VAL A 32 2.547 -6.882 -2.840 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.170 -7.088 -2.205 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.482 -6.130 -1.891 1.00 0.00 C ATOM 0 H VAL A 32 4.388 -7.068 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 32 3.416 -8.750 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 32 2.415 -6.272 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.758 -6.123 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.504 -7.562 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.266 -7.726 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.023 -5.185 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.661 -6.734 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.430 -5.935 -2.393 1.00 0.00 H new ATOM 487 N PRO A 33 1.718 -10.182 -3.375 1.00 0.00 N ATOM 488 CA PRO A 33 0.784 -11.107 -3.994 1.00 0.00 C ATOM 489 C PRO A 33 -0.620 -10.504 -4.064 1.00 0.00 C ATOM 490 O PRO A 33 -1.499 -10.877 -3.288 1.00 0.00 O ATOM 491 CB PRO A 33 0.849 -12.363 -3.141 1.00 0.00 C ATOM 492 CG PRO A 33 1.461 -11.936 -1.816 1.00 0.00 C ATOM 493 CD PRO A 33 2.066 -10.555 -2.007 1.00 0.00 C ATOM 0 HA PRO A 33 1.039 -11.332 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.144 -12.787 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.455 -13.131 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.702 -11.916 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.225 -12.647 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.662 -9.843 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.146 -10.573 -1.865 1.00 0.00 H new ATOM 501 N TYR A 34 -0.788 -9.582 -5.001 1.00 0.00 N ATOM 502 CA TYR A 34 -2.071 -8.924 -5.182 1.00 0.00 C ATOM 503 C TYR A 34 -3.186 -9.947 -5.404 1.00 0.00 C ATOM 504 O TYR A 34 -4.312 -9.752 -4.949 1.00 0.00 O ATOM 505 CB TYR A 34 -1.929 -8.062 -6.439 1.00 0.00 C ATOM 506 CG TYR A 34 -0.834 -6.997 -6.342 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.479 -6.482 -5.112 1.00 0.00 C ATOM 508 CD2 TYR A 34 -0.202 -6.552 -7.486 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.551 -5.480 -5.022 1.00 0.00 C ATOM 510 CE2 TYR A 34 0.828 -5.550 -7.395 1.00 0.00 C ATOM 511 CZ TYR A 34 1.154 -5.064 -6.168 1.00 0.00 C ATOM 512 OH TYR A 34 2.127 -4.117 -6.082 1.00 0.00 O ATOM 0 H TYR A 34 -0.057 -9.275 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.329 -8.339 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.717 -8.710 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.882 -7.572 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.974 -6.830 -4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.480 -6.955 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.838 -5.068 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.330 -5.193 -8.282 1.00 0.00 H new ATOM 0 HH TYR A 34 2.925 -4.505 -5.667 1.00 0.00 H new ATOM 522 N LYS A 35 -2.834 -11.016 -6.103 1.00 0.00 N ATOM 523 CA LYS A 35 -3.791 -12.071 -6.390 1.00 0.00 C ATOM 524 C LYS A 35 -4.305 -12.660 -5.075 1.00 0.00 C ATOM 525 O LYS A 35 -5.498 -12.591 -4.783 1.00 0.00 O ATOM 526 CB LYS A 35 -3.177 -13.110 -7.331 1.00 0.00 C ATOM 527 CG LYS A 35 -4.152 -13.479 -8.451 1.00 0.00 C ATOM 528 CD LYS A 35 -4.337 -14.995 -8.540 1.00 0.00 C ATOM 529 CE LYS A 35 -5.703 -15.415 -7.995 1.00 0.00 C ATOM 530 NZ LYS A 35 -6.409 -16.276 -8.970 1.00 0.00 N ATOM 0 H LYS A 35 -1.899 -11.174 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.655 -11.668 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.256 -12.717 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.910 -14.004 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.115 -13.002 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.780 -13.098 -9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.241 -15.316 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.548 -15.495 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.576 -15.950 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.303 -14.531 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.334 -16.552 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.547 -15.754 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.843 -17.129 -9.154 1.00 0.00 H new ATOM 544 N ARG A 36 -3.378 -13.227 -4.316 1.00 0.00 N ATOM 545 CA ARG A 36 -3.722 -13.828 -3.039 1.00 0.00 C ATOM 546 C ARG A 36 -4.373 -12.790 -2.122 1.00 0.00 C ATOM 547 O ARG A 36 -5.203 -13.133 -1.281 1.00 0.00 O ATOM 548 CB ARG A 36 -2.483 -14.402 -2.348 1.00 0.00 C ATOM 549 CG ARG A 36 -1.796 -15.444 -3.232 1.00 0.00 C ATOM 550 CD ARG A 36 -2.639 -16.718 -3.334 1.00 0.00 C ATOM 551 NE ARG A 36 -2.016 -17.801 -2.542 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.439 -19.073 -2.544 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.489 -19.428 -3.297 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.813 -19.989 -1.794 1.00 0.00 N ATOM 0 H ARG A 36 -2.389 -13.283 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.424 -14.639 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.785 -13.597 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.769 -14.856 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.633 -15.031 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.815 -15.684 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.649 -16.526 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.727 -17.023 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.214 -17.565 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.966 -18.730 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.811 -20.396 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.014 -19.719 -1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.135 -20.957 -1.796 1.00 0.00 H new ATOM 568 N ILE A 37 -3.973 -11.542 -2.316 1.00 0.00 N ATOM 569 CA ILE A 37 -4.507 -10.452 -1.517 1.00 0.00 C ATOM 570 C ILE A 37 -5.931 -10.136 -1.981 1.00 0.00 C ATOM 571 O ILE A 37 -6.731 -9.597 -1.217 1.00 0.00 O ATOM 572 CB ILE A 37 -3.566 -9.247 -1.557 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.409 -9.422 -0.571 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.332 -7.945 -1.317 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.311 -8.387 -0.824 1.00 0.00 C ATOM 0 H ILE A 37 -3.285 -11.261 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.570 -10.743 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.132 -9.185 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.778 -9.323 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.996 -10.426 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.639 -7.104 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.091 -7.821 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.813 -7.980 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.501 -8.534 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.927 -8.504 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.722 -7.384 -0.706 1.00 0.00 H new ATOM 587 N LYS A 38 -6.203 -10.485 -3.230 1.00 0.00 N ATOM 588 CA LYS A 38 -7.516 -10.245 -3.804 1.00 0.00 C ATOM 589 C LYS A 38 -8.482 -11.332 -3.329 1.00 0.00 C ATOM 590 O LYS A 38 -9.522 -11.032 -2.745 1.00 0.00 O ATOM 591 CB LYS A 38 -7.422 -10.128 -5.327 1.00 0.00 C ATOM 592 CG LYS A 38 -7.417 -8.662 -5.765 1.00 0.00 C ATOM 593 CD LYS A 38 -7.684 -8.539 -7.267 1.00 0.00 C ATOM 594 CE LYS A 38 -6.419 -8.115 -8.015 1.00 0.00 C ATOM 595 NZ LYS A 38 -6.255 -8.914 -9.250 1.00 0.00 N ATOM 0 H LYS A 38 -5.537 -10.932 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.914 -9.291 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.514 -10.619 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.263 -10.646 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.176 -8.110 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.455 -8.210 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.039 -9.493 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.475 -7.810 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.475 -7.056 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.548 -8.245 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.392 -8.614 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.180 -9.922 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.078 -8.769 -9.869 1.00 0.00 H new ATOM 609 N SER A 39 -8.104 -12.573 -3.599 1.00 0.00 N ATOM 610 CA SER A 39 -8.924 -13.707 -3.206 1.00 0.00 C ATOM 611 C SER A 39 -9.109 -13.719 -1.688 1.00 0.00 C ATOM 612 O SER A 39 -10.208 -13.966 -1.194 1.00 0.00 O ATOM 613 CB SER A 39 -8.304 -15.024 -3.676 1.00 0.00 C ATOM 614 OG SER A 39 -9.273 -15.894 -4.255 1.00 0.00 O ATOM 0 H SER A 39 -7.241 -12.818 -4.085 1.00 0.00 H new ATOM 0 HA SER A 39 -9.899 -13.605 -3.683 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.521 -14.816 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.828 -15.522 -2.831 1.00 0.00 H new ATOM 0 HG SER A 39 -8.837 -16.723 -4.544 1.00 0.00 H new ATOM 620 N ASN A 40 -8.016 -13.449 -0.989 1.00 0.00 N ATOM 621 CA ASN A 40 -8.043 -13.425 0.464 1.00 0.00 C ATOM 622 C ASN A 40 -7.628 -12.037 0.955 1.00 0.00 C ATOM 623 O ASN A 40 -6.482 -11.627 0.776 1.00 0.00 O ATOM 624 CB ASN A 40 -7.065 -14.445 1.050 1.00 0.00 C ATOM 625 CG ASN A 40 -7.802 -15.495 1.884 1.00 0.00 C ATOM 626 OD1 ASN A 40 -7.830 -15.449 3.103 1.00 0.00 O ATOM 627 ND2 ASN A 40 -8.394 -16.441 1.162 1.00 0.00 N ATOM 0 H ASN A 40 -7.106 -13.245 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.055 -13.669 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.518 -14.934 0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.329 -13.934 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.911 -17.188 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.331 -16.420 0.144 1.00 0.00 H new ATOM 634 N PRO A 41 -8.609 -11.332 1.581 1.00 0.00 N ATOM 635 CA PRO A 41 -8.357 -9.998 2.099 1.00 0.00 C ATOM 636 C PRO A 41 -7.530 -10.056 3.385 1.00 0.00 C ATOM 637 O PRO A 41 -6.892 -9.075 3.762 1.00 0.00 O ATOM 638 CB PRO A 41 -9.735 -9.390 2.306 1.00 0.00 C ATOM 639 CG PRO A 41 -10.706 -10.559 2.339 1.00 0.00 C ATOM 640 CD PRO A 41 -9.978 -11.785 1.811 1.00 0.00 C ATOM 0 HA PRO A 41 -7.765 -9.387 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.776 -8.822 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.982 -8.700 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.059 -10.733 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.583 -10.344 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.009 -12.604 2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.434 -12.151 0.891 1.00 0.00 H new ATOM 648 N GLY A 42 -7.568 -11.217 4.023 1.00 0.00 N ATOM 649 CA GLY A 42 -6.831 -11.416 5.259 1.00 0.00 C ATOM 650 C GLY A 42 -5.409 -11.907 4.976 1.00 0.00 C ATOM 651 O GLY A 42 -4.969 -12.906 5.543 1.00 0.00 O ATOM 0 H GLY A 42 -8.098 -12.029 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.792 -10.481 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.352 -12.141 5.885 1.00 0.00 H new ATOM 655 N SER A 43 -4.731 -11.182 4.099 1.00 0.00 N ATOM 656 CA SER A 43 -3.368 -11.531 3.734 1.00 0.00 C ATOM 657 C SER A 43 -2.393 -10.497 4.301 1.00 0.00 C ATOM 658 O SER A 43 -1.698 -10.767 5.280 1.00 0.00 O ATOM 659 CB SER A 43 -3.213 -11.628 2.215 1.00 0.00 C ATOM 660 OG SER A 43 -4.024 -12.661 1.661 1.00 0.00 O ATOM 0 H SER A 43 -5.100 -10.354 3.630 1.00 0.00 H new ATOM 0 HA SER A 43 -3.140 -12.508 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.481 -10.674 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.168 -11.816 1.968 1.00 0.00 H new ATOM 0 HG SER A 43 -4.876 -12.282 1.360 1.00 0.00 H new ATOM 666 N VAL A 44 -2.374 -9.336 3.663 1.00 0.00 N ATOM 667 CA VAL A 44 -1.495 -8.261 4.093 1.00 0.00 C ATOM 668 C VAL A 44 -2.335 -7.030 4.440 1.00 0.00 C ATOM 669 O VAL A 44 -3.142 -6.576 3.630 1.00 0.00 O ATOM 670 CB VAL A 44 -0.444 -7.984 3.016 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.220 -6.622 3.236 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.600 -9.101 2.969 1.00 0.00 C ATOM 0 H VAL A 44 -2.953 -9.116 2.852 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.951 -8.548 4.993 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.951 -7.958 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.963 -6.449 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.536 -5.838 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.707 -6.608 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.335 -8.880 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.100 -9.173 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.110 -10.048 2.743 1.00 0.00 H new ATOM 682 N ILE A 45 -2.117 -6.525 5.645 1.00 0.00 N ATOM 683 CA ILE A 45 -2.843 -5.356 6.109 1.00 0.00 C ATOM 684 C ILE A 45 -1.994 -4.105 5.872 1.00 0.00 C ATOM 685 O ILE A 45 -0.808 -4.085 6.200 1.00 0.00 O ATOM 686 CB ILE A 45 -3.277 -5.537 7.565 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.550 -7.010 7.876 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.479 -4.650 7.894 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.933 -7.198 9.345 1.00 0.00 C ATOM 0 H ILE A 45 -1.447 -6.904 6.314 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.764 -5.230 5.539 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.457 -5.218 8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.353 -7.378 7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.665 -7.604 7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.767 -4.798 8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.214 -3.605 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.314 -4.914 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.122 -8.254 9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.118 -6.852 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.833 -6.622 9.563 1.00 0.00 H new ATOM 701 N ILE A 46 -2.633 -3.094 5.303 1.00 0.00 N ATOM 702 CA ILE A 46 -1.950 -1.843 5.018 1.00 0.00 C ATOM 703 C ILE A 46 -2.557 -0.729 5.875 1.00 0.00 C ATOM 704 O ILE A 46 -3.764 -0.496 5.832 1.00 0.00 O ATOM 705 CB ILE A 46 -1.977 -1.548 3.517 1.00 0.00 C ATOM 706 CG1 ILE A 46 -0.942 -2.394 2.774 1.00 0.00 C ATOM 707 CG2 ILE A 46 -1.795 -0.052 3.249 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.053 -2.193 1.261 1.00 0.00 C ATOM 0 H ILE A 46 -3.616 -3.115 5.032 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.896 -1.914 5.287 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.957 -1.827 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.060 -2.125 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.086 -3.447 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.818 0.131 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.600 0.504 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.837 0.276 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.306 -2.806 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.048 -2.486 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.884 -1.143 1.020 1.00 0.00 H new ATOM 720 N GLU A 47 -1.692 -0.071 6.632 1.00 0.00 N ATOM 721 CA GLU A 47 -2.127 1.012 7.497 1.00 0.00 C ATOM 722 C GLU A 47 -1.186 2.210 7.362 1.00 0.00 C ATOM 723 O GLU A 47 -0.096 2.088 6.805 1.00 0.00 O ATOM 724 CB GLU A 47 -2.219 0.548 8.953 1.00 0.00 C ATOM 725 CG GLU A 47 -3.630 0.058 9.284 1.00 0.00 C ATOM 726 CD GLU A 47 -4.565 1.233 9.576 1.00 0.00 C ATOM 727 OE1 GLU A 47 -5.065 1.818 8.591 1.00 0.00 O ATOM 728 OE2 GLU A 47 -4.758 1.520 10.777 1.00 0.00 O ATOM 0 H GLU A 47 -0.692 -0.267 6.664 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.124 1.322 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.501 -0.253 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.950 1.369 9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.022 -0.524 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.595 -0.606 10.147 1.00 0.00 H new ATOM 735 N GLY A 48 -1.641 3.341 7.881 1.00 0.00 N ATOM 736 CA GLY A 48 -0.853 4.561 7.825 1.00 0.00 C ATOM 737 C GLY A 48 -1.182 5.369 6.568 1.00 0.00 C ATOM 738 O GLY A 48 -0.760 6.517 6.436 1.00 0.00 O ATOM 0 H GLY A 48 -2.545 3.438 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.048 5.165 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.208 4.313 7.835 1.00 0.00 H new ATOM 742 N LEU A 49 -1.933 4.738 5.678 1.00 0.00 N ATOM 743 CA LEU A 49 -2.324 5.385 4.436 1.00 0.00 C ATOM 744 C LEU A 49 -2.903 6.767 4.746 1.00 0.00 C ATOM 745 O LEU A 49 -3.244 7.058 5.891 1.00 0.00 O ATOM 746 CB LEU A 49 -3.271 4.486 3.639 1.00 0.00 C ATOM 747 CG LEU A 49 -2.610 3.529 2.645 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.622 2.519 2.100 1.00 0.00 C ATOM 749 CD2 LEU A 49 -1.911 4.301 1.524 1.00 0.00 C ATOM 0 H LEU A 49 -2.281 3.786 5.791 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.455 5.539 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.860 3.898 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.969 5.121 3.093 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.843 2.963 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.126 1.851 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.035 1.937 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.427 3.049 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.449 3.598 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.642 4.909 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.144 4.947 1.951 1.00 0.00 H new ATOM 761 N PRO A 50 -2.998 7.602 3.677 1.00 0.00 N ATOM 762 CA PRO A 50 -3.530 8.947 3.824 1.00 0.00 C ATOM 763 C PRO A 50 -5.051 8.920 3.983 1.00 0.00 C ATOM 764 O PRO A 50 -5.681 7.882 3.788 1.00 0.00 O ATOM 765 CB PRO A 50 -3.076 9.687 2.576 1.00 0.00 C ATOM 766 CG PRO A 50 -2.707 8.614 1.565 1.00 0.00 C ATOM 767 CD PRO A 50 -2.604 7.291 2.306 1.00 0.00 C ATOM 0 HA PRO A 50 -3.168 9.448 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.869 10.329 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.223 10.330 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.461 8.554 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.761 8.855 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.259 6.539 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.590 6.893 2.266 1.00 0.00 H new ATOM 775 N PRO A 51 -5.612 10.105 4.345 1.00 0.00 N ATOM 776 CA PRO A 51 -7.048 10.228 4.532 1.00 0.00 C ATOM 777 C PRO A 51 -7.776 10.254 3.187 1.00 0.00 C ATOM 778 O PRO A 51 -7.511 11.116 2.350 1.00 0.00 O ATOM 779 CB PRO A 51 -7.232 11.506 5.333 1.00 0.00 C ATOM 780 CG PRO A 51 -5.942 12.293 5.166 1.00 0.00 C ATOM 781 CD PRO A 51 -4.897 11.355 4.584 1.00 0.00 C ATOM 0 HA PRO A 51 -7.478 9.377 5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.087 12.076 4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.421 11.285 6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.098 13.147 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.609 12.688 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.478 11.754 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.066 11.210 5.275 1.00 0.00 H new ATOM 789 N GLY A 52 -8.680 9.300 3.020 1.00 0.00 N ATOM 790 CA GLY A 52 -9.448 9.203 1.791 1.00 0.00 C ATOM 791 C GLY A 52 -8.878 8.121 0.872 1.00 0.00 C ATOM 792 O GLY A 52 -9.454 7.823 -0.174 1.00 0.00 O ATOM 0 H GLY A 52 -8.898 8.587 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.488 8.976 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.440 10.164 1.276 1.00 0.00 H new ATOM 796 N ILE A 53 -7.754 7.562 1.295 1.00 0.00 N ATOM 797 CA ILE A 53 -7.100 6.519 0.523 1.00 0.00 C ATOM 798 C ILE A 53 -7.031 5.239 1.358 1.00 0.00 C ATOM 799 O ILE A 53 -6.163 5.101 2.219 1.00 0.00 O ATOM 800 CB ILE A 53 -5.737 6.999 0.020 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.842 8.394 -0.601 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.121 5.986 -0.946 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.517 8.809 -1.244 1.00 0.00 C ATOM 0 H ILE A 53 -7.279 7.812 2.163 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.680 6.287 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.065 7.077 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.633 8.404 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.121 9.117 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.153 6.352 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.989 5.031 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.782 5.852 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.619 9.804 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.733 8.822 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.254 8.097 -2.026 1.00 0.00 H new ATOM 815 N PRO A 54 -7.982 4.312 1.068 1.00 0.00 N ATOM 816 CA PRO A 54 -8.037 3.048 1.782 1.00 0.00 C ATOM 817 C PRO A 54 -6.926 2.105 1.316 1.00 0.00 C ATOM 818 O PRO A 54 -6.168 2.436 0.406 1.00 0.00 O ATOM 819 CB PRO A 54 -9.431 2.503 1.512 1.00 0.00 C ATOM 820 CG PRO A 54 -9.938 3.247 0.287 1.00 0.00 C ATOM 821 CD PRO A 54 -9.026 4.441 0.055 1.00 0.00 C ATOM 0 HA PRO A 54 -7.869 3.163 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.402 1.428 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.087 2.666 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.938 2.592 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.966 3.576 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.606 4.429 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.568 5.380 0.163 1.00 0.00 H new ATOM 829 N PHE A 55 -6.865 0.949 1.961 1.00 0.00 N ATOM 830 CA PHE A 55 -5.859 -0.044 1.624 1.00 0.00 C ATOM 831 C PHE A 55 -6.321 -0.918 0.457 1.00 0.00 C ATOM 832 O PHE A 55 -6.971 -1.942 0.663 1.00 0.00 O ATOM 833 CB PHE A 55 -5.668 -0.924 2.861 1.00 0.00 C ATOM 834 CG PHE A 55 -5.222 -2.353 2.544 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.413 -2.593 1.477 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.636 -3.384 3.329 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.000 -3.919 1.184 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.222 -4.710 3.035 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.413 -4.950 1.969 1.00 0.00 C ATOM 0 H PHE A 55 -7.496 0.678 2.715 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.933 0.449 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.929 -0.460 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.605 -0.961 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.085 -1.775 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.279 -3.194 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.357 -4.109 0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.550 -5.529 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.098 -5.959 1.746 1.00 0.00 H new ATOM 849 N ARG A 56 -5.968 -0.482 -0.744 1.00 0.00 N ATOM 850 CA ARG A 56 -6.339 -1.212 -1.944 1.00 0.00 C ATOM 851 C ARG A 56 -5.295 -0.994 -3.041 1.00 0.00 C ATOM 852 O ARG A 56 -4.316 -0.278 -2.838 1.00 0.00 O ATOM 853 CB ARG A 56 -7.709 -0.767 -2.458 1.00 0.00 C ATOM 854 CG ARG A 56 -8.812 -1.121 -1.458 1.00 0.00 C ATOM 855 CD ARG A 56 -9.040 -2.633 -1.405 1.00 0.00 C ATOM 856 NE ARG A 56 -10.477 -2.921 -1.205 1.00 0.00 N ATOM 857 CZ ARG A 56 -11.056 -4.093 -1.499 1.00 0.00 C ATOM 858 NH1 ARG A 56 -10.323 -5.094 -2.007 1.00 0.00 N ATOM 859 NH2 ARG A 56 -12.368 -4.265 -1.285 1.00 0.00 N ATOM 0 H ARG A 56 -5.429 0.368 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.386 -2.270 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.704 0.309 -2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.915 -1.245 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.541 -0.756 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.738 -0.620 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.694 -3.094 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.457 -3.069 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.064 -2.181 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.325 -4.963 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.764 -5.986 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.926 -3.504 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.809 -5.157 -1.509 1.00 0.00 H new ATOM 873 N LYS A 57 -5.540 -1.625 -4.180 1.00 0.00 N ATOM 874 CA LYS A 57 -4.633 -1.509 -5.310 1.00 0.00 C ATOM 875 C LYS A 57 -4.628 -0.063 -5.808 1.00 0.00 C ATOM 876 O LYS A 57 -5.640 0.631 -5.722 1.00 0.00 O ATOM 877 CB LYS A 57 -4.991 -2.531 -6.391 1.00 0.00 C ATOM 878 CG LYS A 57 -4.461 -3.920 -6.030 1.00 0.00 C ATOM 879 CD LYS A 57 -5.548 -4.765 -5.363 1.00 0.00 C ATOM 880 CE LYS A 57 -4.980 -5.557 -4.183 1.00 0.00 C ATOM 881 NZ LYS A 57 -5.612 -5.124 -2.917 1.00 0.00 N ATOM 0 H LYS A 57 -6.353 -2.218 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.613 -1.745 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.073 -2.572 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.573 -2.216 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.105 -4.423 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.607 -3.824 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.355 -4.119 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.979 -5.451 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.151 -6.622 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.901 -5.413 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.053 -5.474 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.651 -4.085 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.577 -5.508 -2.861 1.00 0.00 H new ATOM 895 N PRO A 58 -3.446 0.361 -6.330 1.00 0.00 N ATOM 896 CA PRO A 58 -3.295 1.712 -6.842 1.00 0.00 C ATOM 897 C PRO A 58 -3.989 1.866 -8.197 1.00 0.00 C ATOM 898 O PRO A 58 -4.146 2.980 -8.696 1.00 0.00 O ATOM 899 CB PRO A 58 -1.794 1.941 -6.914 1.00 0.00 C ATOM 900 CG PRO A 58 -1.161 0.560 -6.884 1.00 0.00 C ATOM 901 CD PRO A 58 -2.226 -0.433 -6.448 1.00 0.00 C ATOM 0 HA PRO A 58 -3.768 2.458 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.523 2.475 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.450 2.547 -6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.774 0.296 -7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.317 0.542 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.344 -1.234 -7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.965 -0.902 -5.499 1.00 0.00 H new ATOM 909 N CYS A 59 -4.387 0.732 -8.754 1.00 0.00 N ATOM 910 CA CYS A 59 -5.060 0.726 -10.042 1.00 0.00 C ATOM 911 C CYS A 59 -6.440 1.363 -9.865 1.00 0.00 C ATOM 912 O CYS A 59 -6.894 2.118 -10.723 1.00 0.00 O ATOM 913 CB CYS A 59 -5.154 -0.685 -10.625 1.00 0.00 C ATOM 914 SG CYS A 59 -3.480 -1.406 -10.791 1.00 0.00 S ATOM 0 H CYS A 59 -4.256 -0.190 -8.337 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.481 1.307 -10.760 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.768 -1.314 -9.980 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.644 -0.653 -11.598 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.571 -2.605 -11.285 1.00 0.00 H new ATOM 920 N THR A 60 -7.069 1.035 -8.746 1.00 0.00 N ATOM 921 CA THR A 60 -8.388 1.565 -8.445 1.00 0.00 C ATOM 922 C THR A 60 -8.291 3.038 -8.043 1.00 0.00 C ATOM 923 O THR A 60 -9.308 3.688 -7.805 1.00 0.00 O ATOM 924 CB THR A 60 -9.019 0.681 -7.367 1.00 0.00 C ATOM 925 OG1 THR A 60 -8.090 0.734 -6.288 1.00 0.00 O ATOM 926 CG2 THR A 60 -9.046 -0.796 -7.763 1.00 0.00 C ATOM 0 H THR A 60 -6.689 0.408 -8.036 1.00 0.00 H new ATOM 0 HA THR A 60 -9.034 1.542 -9.323 1.00 0.00 H new ATOM 0 HB THR A 60 -10.035 1.022 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.210 1.002 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.503 -1.379 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.626 -0.917 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.028 -1.147 -7.930 1.00 0.00 H new ATOM 934 N PHE A 61 -7.060 3.522 -7.980 1.00 0.00 N ATOM 935 CA PHE A 61 -6.817 4.906 -7.611 1.00 0.00 C ATOM 936 C PHE A 61 -6.278 5.704 -8.800 1.00 0.00 C ATOM 937 O PHE A 61 -5.914 5.129 -9.824 1.00 0.00 O ATOM 938 CB PHE A 61 -5.765 4.895 -6.500 1.00 0.00 C ATOM 939 CG PHE A 61 -6.189 4.125 -5.248 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.507 4.021 -4.928 1.00 0.00 C ATOM 941 CD2 PHE A 61 -5.249 3.545 -4.455 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.901 3.306 -3.766 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.643 2.830 -3.293 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.961 2.726 -2.973 1.00 0.00 C ATOM 0 H PHE A 61 -6.219 2.980 -8.178 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.747 5.373 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.846 4.457 -6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.536 5.923 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.254 4.482 -5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.203 3.628 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.947 3.223 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.896 2.369 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.261 2.183 -2.089 1.00 0.00 H new ATOM 954 N GLY A 62 -6.245 7.017 -8.624 1.00 0.00 N ATOM 955 CA GLY A 62 -5.757 7.900 -9.670 1.00 0.00 C ATOM 956 C GLY A 62 -4.461 8.593 -9.242 1.00 0.00 C ATOM 957 O GLY A 62 -4.087 8.548 -8.071 1.00 0.00 O ATOM 0 H GLY A 62 -6.548 7.491 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.584 7.329 -10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.515 8.649 -9.902 1.00 0.00 H new ATOM 961 N SER A 63 -3.813 9.217 -10.214 1.00 0.00 N ATOM 962 CA SER A 63 -2.567 9.918 -9.953 1.00 0.00 C ATOM 963 C SER A 63 -2.636 10.617 -8.594 1.00 0.00 C ATOM 964 O SER A 63 -1.839 10.328 -7.702 1.00 0.00 O ATOM 965 CB SER A 63 -2.265 10.933 -11.057 1.00 0.00 C ATOM 966 OG SER A 63 -3.341 11.846 -11.252 1.00 0.00 O ATOM 0 H SER A 63 -4.127 9.252 -11.184 1.00 0.00 H new ATOM 0 HA SER A 63 -1.759 9.187 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.361 11.487 -10.803 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.064 10.405 -11.989 1.00 0.00 H new ATOM 0 HG SER A 63 -3.307 12.544 -10.564 1.00 0.00 H new ATOM 972 N GLN A 64 -3.595 11.524 -8.478 1.00 0.00 N ATOM 973 CA GLN A 64 -3.777 12.266 -7.242 1.00 0.00 C ATOM 974 C GLN A 64 -3.655 11.331 -6.038 1.00 0.00 C ATOM 975 O GLN A 64 -2.748 11.480 -5.221 1.00 0.00 O ATOM 976 CB GLN A 64 -5.122 12.997 -7.235 1.00 0.00 C ATOM 977 CG GLN A 64 -4.988 14.398 -7.836 1.00 0.00 C ATOM 978 CD GLN A 64 -5.372 14.398 -9.317 1.00 0.00 C ATOM 979 OE1 GLN A 64 -4.895 13.602 -10.109 1.00 0.00 O ATOM 980 NE2 GLN A 64 -6.258 15.334 -9.645 1.00 0.00 N ATOM 0 H GLN A 64 -4.254 11.762 -9.219 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.991 13.018 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.855 12.423 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.495 13.070 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.626 15.094 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.963 14.750 -7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.617 15.969 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.578 15.417 -10.610 1.00 0.00 H new ATOM 989 N ASN A 65 -4.582 10.387 -5.966 1.00 0.00 N ATOM 990 CA ASN A 65 -4.590 9.427 -4.875 1.00 0.00 C ATOM 991 C ASN A 65 -3.189 8.833 -4.714 1.00 0.00 C ATOM 992 O ASN A 65 -2.708 8.660 -3.595 1.00 0.00 O ATOM 993 CB ASN A 65 -5.561 8.279 -5.158 1.00 0.00 C ATOM 994 CG ASN A 65 -5.357 7.132 -4.166 1.00 0.00 C ATOM 995 OD1 ASN A 65 -4.264 6.621 -3.984 1.00 0.00 O ATOM 996 ND2 ASN A 65 -6.467 6.756 -3.538 1.00 0.00 N ATOM 0 H ASN A 65 -5.333 10.266 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.902 9.948 -3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.587 8.642 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.414 7.916 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.436 5.997 -2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.350 7.226 -3.737 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.574 8.535 -5.849 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.238 7.964 -5.849 1.00 0.00 C ATOM 1005 C LEU A 66 -0.261 8.962 -5.224 1.00 0.00 C ATOM 1006 O LEU A 66 0.321 8.692 -4.175 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.845 7.519 -7.259 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.742 6.461 -7.903 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.408 6.287 -9.386 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.664 5.137 -7.140 1.00 0.00 C ATOM 0 H LEU A 66 -2.976 8.678 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.209 7.063 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.831 8.397 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.173 7.132 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.774 6.807 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.060 5.529 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.556 7.234 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.369 5.974 -9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.311 4.402 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.636 4.774 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.989 5.290 -6.111 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.111 10.094 -5.896 1.00 0.00 N ATOM 1023 CA GLU A 67 0.785 11.134 -5.419 1.00 0.00 C ATOM 1024 C GLU A 67 0.718 11.235 -3.894 1.00 0.00 C ATOM 1025 O GLU A 67 1.711 11.562 -3.246 1.00 0.00 O ATOM 1026 CB GLU A 67 0.461 12.479 -6.072 1.00 0.00 C ATOM 1027 CG GLU A 67 1.494 12.831 -7.145 1.00 0.00 C ATOM 1028 CD GLU A 67 1.861 14.315 -7.087 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.923 15.126 -6.927 1.00 0.00 O ATOM 1030 OE2 GLU A 67 3.071 14.605 -7.203 1.00 0.00 O ATOM 0 H GLU A 67 -0.595 10.314 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 67 1.803 10.866 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.533 12.441 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.440 13.260 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.390 12.226 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.097 12.589 -8.131 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.463 10.948 -3.365 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.672 11.002 -1.928 1.00 0.00 C ATOM 1039 C ARG A 68 -0.029 9.790 -1.252 1.00 0.00 C ATOM 1040 O ARG A 68 0.754 9.940 -0.315 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.164 11.034 -1.590 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.829 12.288 -2.162 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.348 12.232 -1.984 1.00 0.00 C ATOM 1044 NE ARG A 68 -4.912 13.600 -2.019 1.00 0.00 N ATOM 1045 CZ ARG A 68 -6.221 13.871 -2.105 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -7.110 12.870 -2.164 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -6.642 15.143 -2.131 1.00 0.00 N ATOM 0 H ARG A 68 -1.284 10.677 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.207 11.916 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.651 10.145 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.296 11.009 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.433 13.173 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.586 12.382 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.793 11.626 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.594 11.752 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.263 14.386 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.790 11.902 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.107 13.076 -2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.966 15.905 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.639 15.349 -2.197 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.383 8.615 -1.753 1.00 0.00 N ATOM 1062 CA ILE A 69 0.150 7.378 -1.208 1.00 0.00 C ATOM 1063 C ILE A 69 1.669 7.497 -1.075 1.00 0.00 C ATOM 1064 O ILE A 69 2.209 7.409 0.027 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.302 6.184 -2.051 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.756 5.817 -1.747 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.641 4.993 -1.864 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.381 5.046 -2.911 1.00 0.00 C ATOM 0 H ILE A 69 -1.032 8.494 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.245 7.201 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.255 6.470 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.801 5.213 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.331 6.723 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.297 4.158 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.649 5.275 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.650 4.697 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.414 4.797 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.357 5.662 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.818 4.129 -3.084 1.00 0.00 H new ATOM 1080 N LEU A 70 2.317 7.697 -2.214 1.00 0.00 N ATOM 1081 CA LEU A 70 3.764 7.830 -2.238 1.00 0.00 C ATOM 1082 C LEU A 70 4.191 8.898 -1.230 1.00 0.00 C ATOM 1083 O LEU A 70 5.313 8.868 -0.726 1.00 0.00 O ATOM 1084 CB LEU A 70 4.253 8.098 -3.663 1.00 0.00 C ATOM 1085 CG LEU A 70 3.857 7.060 -4.715 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.179 7.558 -6.125 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.509 5.707 -4.423 1.00 0.00 C ATOM 0 H LEU A 70 1.867 7.770 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 70 4.238 6.897 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.873 9.070 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.340 8.171 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 70 2.778 6.916 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.888 6.801 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.630 8.479 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.249 7.749 -6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.211 4.987 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.593 5.816 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.188 5.352 -3.444 1.00 0.00 H new ATOM 1099 N ALA A 71 3.274 9.817 -0.966 1.00 0.00 N ATOM 1100 CA ALA A 71 3.542 10.893 -0.027 1.00 0.00 C ATOM 1101 C ALA A 71 3.731 10.307 1.373 1.00 0.00 C ATOM 1102 O ALA A 71 4.751 10.546 2.018 1.00 0.00 O ATOM 1103 CB ALA A 71 2.404 11.915 -0.083 1.00 0.00 C ATOM 0 H ALA A 71 2.345 9.839 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 71 4.462 11.414 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.605 12.722 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.331 12.323 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.465 11.429 0.181 1.00 0.00 H new ATOM 1109 N VAL A 72 2.732 9.550 1.803 1.00 0.00 N ATOM 1110 CA VAL A 72 2.775 8.927 3.115 1.00 0.00 C ATOM 1111 C VAL A 72 3.402 7.537 2.995 1.00 0.00 C ATOM 1112 O VAL A 72 3.223 6.693 3.872 1.00 0.00 O ATOM 1113 CB VAL A 72 1.374 8.901 3.728 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.878 10.317 4.025 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.393 8.155 2.821 1.00 0.00 C ATOM 0 H VAL A 72 1.888 9.354 1.266 1.00 0.00 H new ATOM 0 HA VAL A 72 3.401 9.507 3.793 1.00 0.00 H new ATOM 0 HB VAL A 72 1.432 8.362 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.120 10.269 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.557 10.801 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.843 10.892 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.596 8.151 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.342 8.653 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.733 7.129 2.683 1.00 0.00 H new ATOM 1125 N ALA A 73 4.123 7.340 1.901 1.00 0.00 N ATOM 1126 CA ALA A 73 4.777 6.066 1.654 1.00 0.00 C ATOM 1127 C ALA A 73 5.464 5.594 2.937 1.00 0.00 C ATOM 1128 O ALA A 73 5.624 4.394 3.154 1.00 0.00 O ATOM 1129 CB ALA A 73 5.756 6.212 0.487 1.00 0.00 C ATOM 0 H ALA A 73 4.269 8.042 1.175 1.00 0.00 H new ATOM 0 HA ALA A 73 4.047 5.307 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.247 5.256 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.213 6.521 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.506 6.963 0.733 1.00 0.00 H new ATOM 1135 N ASP A 74 5.853 6.563 3.753 1.00 0.00 N ATOM 1136 CA ASP A 74 6.520 6.261 5.008 1.00 0.00 C ATOM 1137 C ASP A 74 5.496 5.719 6.007 1.00 0.00 C ATOM 1138 O ASP A 74 5.747 4.720 6.678 1.00 0.00 O ATOM 1139 CB ASP A 74 7.151 7.517 5.612 1.00 0.00 C ATOM 1140 CG ASP A 74 8.660 7.431 5.853 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.237 6.390 5.473 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.202 8.409 6.412 1.00 0.00 O ATOM 0 H ASP A 74 5.719 7.557 3.569 1.00 0.00 H new ATOM 0 HA ASP A 74 7.300 5.526 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.951 8.360 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.659 7.733 6.560 1.00 0.00 H new ATOM 1147 N LYS A 75 4.364 6.403 6.075 1.00 0.00 N ATOM 1148 CA LYS A 75 3.301 6.003 6.981 1.00 0.00 C ATOM 1149 C LYS A 75 2.826 4.596 6.613 1.00 0.00 C ATOM 1150 O LYS A 75 2.774 3.711 7.467 1.00 0.00 O ATOM 1151 CB LYS A 75 2.182 7.047 6.988 1.00 0.00 C ATOM 1152 CG LYS A 75 2.753 8.461 7.105 1.00 0.00 C ATOM 1153 CD LYS A 75 2.233 9.160 8.363 1.00 0.00 C ATOM 1154 CE LYS A 75 2.649 10.633 8.383 1.00 0.00 C ATOM 1155 NZ LYS A 75 2.915 11.077 9.770 1.00 0.00 N ATOM 0 H LYS A 75 4.159 7.232 5.517 1.00 0.00 H new ATOM 0 HA LYS A 75 3.670 5.958 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.595 6.962 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.505 6.854 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.842 8.416 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.481 9.041 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.146 9.085 8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.620 8.657 9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.541 10.774 7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.862 11.245 7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.196 12.078 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.055 10.961 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.682 10.504 10.177 1.00 0.00 H new ATOM 1169 N ILE A 76 2.491 4.432 5.342 1.00 0.00 N ATOM 1170 CA ILE A 76 2.023 3.147 4.851 1.00 0.00 C ATOM 1171 C ILE A 76 2.838 2.028 5.503 1.00 0.00 C ATOM 1172 O ILE A 76 4.059 1.979 5.358 1.00 0.00 O ATOM 1173 CB ILE A 76 2.050 3.115 3.321 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.994 4.055 2.735 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.898 1.685 2.800 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.319 4.407 1.282 1.00 0.00 C ATOM 0 H ILE A 76 2.534 5.168 4.637 1.00 0.00 H new ATOM 0 HA ILE A 76 0.982 2.989 5.132 1.00 0.00 H new ATOM 0 HB ILE A 76 3.023 3.476 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.013 3.583 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.942 4.966 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.920 1.690 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.716 1.072 3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.949 1.272 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.553 5.076 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.290 4.900 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.346 3.496 0.684 1.00 0.00 H new ATOM 1188 N LYS A 77 2.130 1.158 6.208 1.00 0.00 N ATOM 1189 CA LYS A 77 2.773 0.043 6.883 1.00 0.00 C ATOM 1190 C LYS A 77 2.023 -1.249 6.552 1.00 0.00 C ATOM 1191 O LYS A 77 0.806 -1.324 6.717 1.00 0.00 O ATOM 1192 CB LYS A 77 2.889 0.320 8.383 1.00 0.00 C ATOM 1193 CG LYS A 77 3.554 -0.852 9.108 1.00 0.00 C ATOM 1194 CD LYS A 77 3.325 -0.765 10.618 1.00 0.00 C ATOM 1195 CE LYS A 77 4.652 -0.625 11.366 1.00 0.00 C ATOM 1196 NZ LYS A 77 4.629 -1.420 12.614 1.00 0.00 N ATOM 0 H LYS A 77 1.118 1.202 6.327 1.00 0.00 H new ATOM 0 HA LYS A 77 3.795 -0.081 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.469 1.228 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.898 0.496 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.153 -1.792 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.624 -0.854 8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.684 0.087 10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.802 -1.657 10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.472 -0.959 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.836 0.424 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.537 -1.314 13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.859 -1.083 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.475 -2.423 12.384 1.00 0.00 H new ATOM 1210 N PHE A 78 2.780 -2.234 6.092 1.00 0.00 N ATOM 1211 CA PHE A 78 2.202 -3.519 5.737 1.00 0.00 C ATOM 1212 C PHE A 78 2.344 -4.520 6.885 1.00 0.00 C ATOM 1213 O PHE A 78 3.287 -4.440 7.670 1.00 0.00 O ATOM 1214 CB PHE A 78 2.977 -4.038 4.524 1.00 0.00 C ATOM 1215 CG PHE A 78 2.525 -3.437 3.192 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.399 -2.089 3.063 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.250 -4.250 2.137 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.979 -1.530 1.827 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.830 -3.692 0.901 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.704 -2.344 0.772 1.00 0.00 C ATOM 0 H PHE A 78 3.789 -2.168 5.957 1.00 0.00 H new ATOM 0 HA PHE A 78 1.140 -3.403 5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.037 -3.826 4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.872 -5.122 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.618 -1.444 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.351 -5.320 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.878 -0.460 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.611 -4.338 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.385 -1.919 -0.169 1.00 0.00 H new ATOM 1230 N THR A 79 1.392 -5.440 6.947 1.00 0.00 N ATOM 1231 CA THR A 79 1.399 -6.455 7.986 1.00 0.00 C ATOM 1232 C THR A 79 1.399 -7.854 7.365 1.00 0.00 C ATOM 1233 O THR A 79 0.645 -8.122 6.430 1.00 0.00 O ATOM 1234 CB THR A 79 0.204 -6.199 8.906 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.508 -4.955 9.532 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.134 -7.193 10.066 1.00 0.00 C ATOM 0 H THR A 79 0.611 -5.503 6.294 1.00 0.00 H new ATOM 0 HA THR A 79 2.307 -6.400 8.586 1.00 0.00 H new ATOM 0 HB THR A 79 -0.718 -6.253 8.327 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.217 -4.712 10.145 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.732 -6.966 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.043 -8.205 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.041 -7.117 10.666 1.00 0.00 H new ATOM 1244 N VAL A 80 2.253 -8.708 7.909 1.00 0.00 N ATOM 1245 CA VAL A 80 2.360 -10.072 7.421 1.00 0.00 C ATOM 1246 C VAL A 80 2.036 -11.044 8.557 1.00 0.00 C ATOM 1247 O VAL A 80 2.323 -10.762 9.720 1.00 0.00 O ATOM 1248 CB VAL A 80 3.746 -10.303 6.814 1.00 0.00 C ATOM 1249 CG1 VAL A 80 3.932 -11.767 6.412 1.00 0.00 C ATOM 1250 CG2 VAL A 80 3.984 -9.373 5.622 1.00 0.00 C ATOM 0 H VAL A 80 2.877 -8.482 8.683 1.00 0.00 H new ATOM 0 HA VAL A 80 1.637 -10.250 6.625 1.00 0.00 H new ATOM 0 HB VAL A 80 4.489 -10.068 7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.925 -11.903 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.826 -12.402 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.178 -12.040 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.976 -9.557 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.231 -9.562 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.915 -8.336 5.950 1.00 0.00 H new