USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 Single : A 6 THR OG1 : rot 23:sc= 0.264 USER MOD Single : A 8 GLN : amide:sc= 0.299 X(o=0.3,f=-0.09) USER MOD Single : A 15 GLN : amide:sc= 0.705 K(o=0.71,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.023 (180deg=-0.279) USER MOD Single : A 19 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 93:sc= 1.24 USER MOD Single : A 40 TYR OH : rot 30:sc= 0.321 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0314) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 9:sc= 0.992 USER MOD Single : A 75 TYR OH : rot 52:sc= 0.138 USER MOD Single : A 80 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 65:sc= 1.29 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0149 (180deg=-0.171) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.260 -5.958 1.732 1.00 0.00 N ATOM 83 CA THR A 6 9.940 -6.738 2.922 1.00 0.00 C ATOM 84 C THR A 6 11.028 -7.789 3.148 1.00 0.00 C ATOM 85 O THR A 6 11.907 -7.957 2.304 1.00 0.00 O ATOM 86 CB THR A 6 8.558 -7.376 2.735 1.00 0.00 C ATOM 87 OG1 THR A 6 7.624 -6.385 2.362 1.00 0.00 O ATOM 88 CG2 THR A 6 8.046 -8.039 4.010 1.00 0.00 C ATOM 0 HA THR A 6 9.907 -6.102 3.806 1.00 0.00 H new ATOM 0 HB THR A 6 8.665 -8.137 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.095 -5.630 1.952 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.065 -8.475 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.739 -8.822 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.968 -7.294 4.802 1.00 0.00 H new ATOM 96 N ASP A 7 10.977 -8.501 4.279 1.00 0.00 N ATOM 97 CA ASP A 7 11.966 -9.514 4.627 1.00 0.00 C ATOM 98 C ASP A 7 12.113 -10.580 3.537 1.00 0.00 C ATOM 99 O ASP A 7 13.101 -11.309 3.521 1.00 0.00 O ATOM 100 CB ASP A 7 11.577 -10.158 5.959 1.00 0.00 C ATOM 101 CG ASP A 7 10.219 -10.854 5.884 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.172 -11.983 5.350 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.237 -10.246 6.368 1.00 0.00 O ATOM 0 H ASP A 7 10.243 -8.387 4.978 1.00 0.00 H new ATOM 0 HA ASP A 7 12.936 -9.025 4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.339 -10.881 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.551 -9.395 6.737 1.00 0.00 H new ATOM 108 N GLN A 8 11.139 -10.677 2.628 1.00 0.00 N ATOM 109 CA GLN A 8 11.216 -11.603 1.513 1.00 0.00 C ATOM 110 C GLN A 8 12.361 -11.213 0.582 1.00 0.00 C ATOM 111 O GLN A 8 13.225 -12.031 0.272 1.00 0.00 O ATOM 112 CB GLN A 8 9.879 -11.583 0.764 1.00 0.00 C ATOM 113 CG GLN A 8 9.907 -12.468 -0.486 1.00 0.00 C ATOM 114 CD GLN A 8 10.194 -13.928 -0.156 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.275 -14.723 0.027 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.470 -14.295 -0.077 1.00 0.00 N ATOM 0 H GLN A 8 10.286 -10.118 2.650 1.00 0.00 H new ATOM 0 HA GLN A 8 11.411 -12.611 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.085 -11.922 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.639 -10.559 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.949 -12.396 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.667 -12.097 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.209 -13.609 -0.235 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.710 -15.262 0.141 1.00 0.00 H new ATOM 125 N VAL A 9 12.370 -9.957 0.134 1.00 0.00 N ATOM 126 CA VAL A 9 13.351 -9.462 -0.819 1.00 0.00 C ATOM 127 C VAL A 9 14.618 -9.001 -0.109 1.00 0.00 C ATOM 128 O VAL A 9 15.696 -9.013 -0.698 1.00 0.00 O ATOM 129 CB VAL A 9 12.711 -8.353 -1.664 1.00 0.00 C ATOM 130 CG1 VAL A 9 12.071 -7.279 -0.782 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.734 -7.682 -2.582 1.00 0.00 C ATOM 0 H VAL A 9 11.691 -9.254 0.427 1.00 0.00 H new ATOM 0 HA VAL A 9 13.656 -10.266 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 9 11.943 -8.833 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.627 -6.508 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.297 -7.731 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.832 -6.831 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.244 -6.902 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.528 -7.240 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.160 -8.425 -3.256 1.00 0.00 H new ATOM 141 N LEU A 10 14.507 -8.595 1.161 1.00 0.00 N ATOM 142 CA LEU A 10 15.665 -8.174 1.932 1.00 0.00 C ATOM 143 C LEU A 10 16.553 -9.365 2.277 1.00 0.00 C ATOM 144 O LEU A 10 17.760 -9.192 2.427 1.00 0.00 O ATOM 145 CB LEU A 10 15.196 -7.446 3.194 1.00 0.00 C ATOM 146 CG LEU A 10 15.144 -5.930 2.988 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.269 -5.534 1.804 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.588 -5.262 4.244 1.00 0.00 C ATOM 0 H LEU A 10 13.624 -8.552 1.670 1.00 0.00 H new ATOM 0 HA LEU A 10 16.265 -7.489 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.208 -7.809 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.869 -7.678 4.019 1.00 0.00 H new ATOM 0 HG LEU A 10 16.163 -5.600 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.266 -4.449 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.664 -5.984 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.251 -5.886 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.551 -4.183 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.583 -5.636 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.232 -5.490 5.093 1.00 0.00 H new ATOM 160 N VAL A 11 15.986 -10.569 2.406 1.00 0.00 N ATOM 161 CA VAL A 11 16.806 -11.744 2.677 1.00 0.00 C ATOM 162 C VAL A 11 17.401 -12.281 1.378 1.00 0.00 C ATOM 163 O VAL A 11 18.474 -12.883 1.391 1.00 0.00 O ATOM 164 CB VAL A 11 15.994 -12.809 3.420 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.783 -14.115 3.536 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.701 -12.328 4.841 1.00 0.00 C ATOM 0 H VAL A 11 14.985 -10.750 2.329 1.00 0.00 H new ATOM 0 HA VAL A 11 17.634 -11.460 3.327 1.00 0.00 H new ATOM 0 HB VAL A 11 15.074 -12.978 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.185 -14.855 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.019 -14.487 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.708 -13.934 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.123 -13.086 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.640 -12.155 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.131 -11.400 4.801 1.00 0.00 H new ATOM 176 N GLU A 12 16.729 -12.073 0.241 1.00 0.00 N ATOM 177 CA GLU A 12 17.287 -12.478 -1.042 1.00 0.00 C ATOM 178 C GLU A 12 18.452 -11.571 -1.424 1.00 0.00 C ATOM 179 O GLU A 12 19.428 -12.028 -2.017 1.00 0.00 O ATOM 180 CB GLU A 12 16.206 -12.399 -2.117 1.00 0.00 C ATOM 181 CG GLU A 12 15.184 -13.520 -1.943 1.00 0.00 C ATOM 182 CD GLU A 12 14.131 -13.471 -3.051 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.372 -14.100 -4.107 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.094 -12.805 -2.836 1.00 0.00 O ATOM 0 H GLU A 12 15.811 -11.632 0.188 1.00 0.00 H new ATOM 0 HA GLU A 12 17.650 -13.503 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.705 -11.433 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.663 -12.468 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.690 -14.485 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.700 -13.429 -0.971 1.00 0.00 H new ATOM 191 N ARG A 13 18.358 -10.281 -1.086 1.00 0.00 N ATOM 192 CA ARG A 13 19.359 -9.297 -1.462 1.00 0.00 C ATOM 193 C ARG A 13 20.658 -9.490 -0.684 1.00 0.00 C ATOM 194 O ARG A 13 21.739 -9.337 -1.247 1.00 0.00 O ATOM 195 CB ARG A 13 18.755 -7.904 -1.259 1.00 0.00 C ATOM 196 CG ARG A 13 19.714 -6.797 -1.697 1.00 0.00 C ATOM 197 CD ARG A 13 18.974 -5.459 -1.749 1.00 0.00 C ATOM 198 NE ARG A 13 17.969 -5.440 -2.821 1.00 0.00 N ATOM 199 CZ ARG A 13 17.101 -4.445 -3.015 1.00 0.00 C ATOM 200 NH1 ARG A 13 17.105 -3.374 -2.227 1.00 0.00 N ATOM 201 NH2 ARG A 13 16.220 -4.522 -4.008 1.00 0.00 N ATOM 0 H ARG A 13 17.584 -9.897 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 13 19.629 -9.420 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.827 -7.825 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.500 -7.769 -0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.551 -6.733 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.130 -7.031 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.489 -5.273 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.690 -4.652 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 13 17.933 -6.237 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.777 -3.306 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.436 -2.621 -2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.209 -5.339 -4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.555 -3.764 -4.160 1.00 0.00 H new ATOM 215 N VAL A 14 20.575 -9.831 0.604 1.00 0.00 N ATOM 216 CA VAL A 14 21.768 -10.059 1.415 1.00 0.00 C ATOM 217 C VAL A 14 22.449 -11.363 1.021 1.00 0.00 C ATOM 218 O VAL A 14 23.651 -11.516 1.238 1.00 0.00 O ATOM 219 CB VAL A 14 21.418 -10.055 2.903 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.811 -8.708 3.284 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.428 -11.155 3.264 1.00 0.00 C ATOM 0 H VAL A 14 19.695 -9.955 1.105 1.00 0.00 H new ATOM 0 HA VAL A 14 22.467 -9.244 1.229 1.00 0.00 H new ATOM 0 HB VAL A 14 22.342 -10.233 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.562 -8.708 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.530 -7.914 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.907 -8.538 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.210 -11.112 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.506 -11.015 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.859 -12.126 3.020 1.00 0.00 H new ATOM 231 N GLN A 15 21.698 -12.304 0.440 1.00 0.00 N ATOM 232 CA GLN A 15 22.274 -13.546 -0.058 1.00 0.00 C ATOM 233 C GLN A 15 22.961 -13.309 -1.407 1.00 0.00 C ATOM 234 O GLN A 15 23.790 -14.115 -1.828 1.00 0.00 O ATOM 235 CB GLN A 15 21.182 -14.609 -0.163 1.00 0.00 C ATOM 236 CG GLN A 15 20.730 -15.055 1.234 1.00 0.00 C ATOM 237 CD GLN A 15 19.572 -16.045 1.169 1.00 0.00 C ATOM 238 OE1 GLN A 15 18.969 -16.246 0.118 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.246 -16.675 2.292 1.00 0.00 N ATOM 0 H GLN A 15 20.690 -12.224 0.305 1.00 0.00 H new ATOM 0 HA GLN A 15 23.033 -13.903 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.332 -14.212 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.554 -15.467 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.569 -15.512 1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.429 -14.182 1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.764 -16.488 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.477 -17.345 2.296 1.00 0.00 H new ATOM 248 N LYS A 16 22.624 -12.207 -2.089 1.00 0.00 N ATOM 249 CA LYS A 16 23.311 -11.772 -3.295 1.00 0.00 C ATOM 250 C LYS A 16 24.625 -11.066 -2.959 1.00 0.00 C ATOM 251 O LYS A 16 25.384 -10.729 -3.866 1.00 0.00 O ATOM 252 CB LYS A 16 22.387 -10.859 -4.102 1.00 0.00 C ATOM 253 CG LYS A 16 22.149 -11.457 -5.488 1.00 0.00 C ATOM 254 CD LYS A 16 21.272 -12.714 -5.432 1.00 0.00 C ATOM 255 CE LYS A 16 19.834 -12.375 -5.043 1.00 0.00 C ATOM 256 NZ LYS A 16 19.170 -11.569 -6.083 1.00 0.00 N ATOM 0 H LYS A 16 21.859 -11.592 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 16 23.561 -12.647 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.437 -10.736 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.831 -9.868 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.674 -10.712 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.107 -11.704 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.281 -13.209 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.689 -13.418 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.273 -13.295 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.830 -11.829 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.142 -11.583 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.514 -10.589 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.385 -11.966 -7.020 1.00 0.00 H new ATOM 270 N GLY A 17 24.894 -10.842 -1.670 1.00 0.00 N ATOM 271 CA GLY A 17 26.137 -10.244 -1.207 1.00 0.00 C ATOM 272 C GLY A 17 25.974 -8.776 -0.821 1.00 0.00 C ATOM 273 O GLY A 17 26.953 -8.127 -0.454 1.00 0.00 O ATOM 0 H GLY A 17 24.246 -11.074 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.507 -10.803 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.890 -10.328 -1.990 1.00 0.00 H new ATOM 277 N ASP A 18 24.753 -8.242 -0.896 1.00 0.00 N ATOM 278 CA ASP A 18 24.480 -6.865 -0.527 1.00 0.00 C ATOM 279 C ASP A 18 24.171 -6.789 0.967 1.00 0.00 C ATOM 280 O ASP A 18 23.012 -6.797 1.373 1.00 0.00 O ATOM 281 CB ASP A 18 23.325 -6.350 -1.385 1.00 0.00 C ATOM 282 CG ASP A 18 23.799 -5.982 -2.786 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.563 -4.998 -2.895 1.00 0.00 O ATOM 284 OD2 ASP A 18 23.395 -6.687 -3.738 1.00 0.00 O ATOM 0 H ASP A 18 23.932 -8.757 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 18 25.348 -6.232 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.549 -7.112 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.876 -5.478 -0.909 1.00 0.00 H new ATOM 289 N GLN A 19 25.220 -6.716 1.790 1.00 0.00 N ATOM 290 CA GLN A 19 25.087 -6.673 3.239 1.00 0.00 C ATOM 291 C GLN A 19 24.379 -5.389 3.680 1.00 0.00 C ATOM 292 O GLN A 19 23.847 -5.326 4.786 1.00 0.00 O ATOM 293 CB GLN A 19 26.485 -6.819 3.852 1.00 0.00 C ATOM 294 CG GLN A 19 26.450 -6.945 5.380 1.00 0.00 C ATOM 295 CD GLN A 19 26.385 -5.600 6.099 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.588 -4.542 5.506 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.101 -5.633 7.397 1.00 0.00 N ATOM 0 H GLN A 19 26.186 -6.685 1.464 1.00 0.00 H new ATOM 0 HA GLN A 19 24.465 -7.495 3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.973 -7.698 3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.090 -5.955 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.586 -7.544 5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.337 -7.484 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.938 -6.527 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.046 -4.765 7.929 1.00 0.00 H new ATOM 306 N LYS A 20 24.365 -4.367 2.817 1.00 0.00 N ATOM 307 CA LYS A 20 23.682 -3.111 3.091 1.00 0.00 C ATOM 308 C LYS A 20 22.189 -3.334 3.308 1.00 0.00 C ATOM 309 O LYS A 20 21.537 -2.538 3.981 1.00 0.00 O ATOM 310 CB LYS A 20 23.922 -2.157 1.919 1.00 0.00 C ATOM 311 CG LYS A 20 23.295 -2.692 0.630 1.00 0.00 C ATOM 312 CD LYS A 20 23.669 -1.803 -0.555 1.00 0.00 C ATOM 313 CE LYS A 20 22.986 -2.316 -1.823 1.00 0.00 C ATOM 314 NZ LYS A 20 23.390 -1.528 -2.999 1.00 0.00 N ATOM 0 H LYS A 20 24.830 -4.394 1.909 1.00 0.00 H new ATOM 0 HA LYS A 20 24.080 -2.676 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.502 -1.179 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.993 -2.017 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.635 -3.712 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.211 -2.731 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.367 -0.774 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.751 -1.798 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.241 -3.364 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.904 -2.266 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.912 -1.898 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.124 -0.533 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.420 -1.596 -3.126 1.00 0.00 H new ATOM 328 N ALA A 21 21.637 -4.415 2.747 1.00 0.00 N ATOM 329 CA ALA A 21 20.228 -4.724 2.916 1.00 0.00 C ATOM 330 C ALA A 21 19.980 -5.451 4.234 1.00 0.00 C ATOM 331 O ALA A 21 18.847 -5.481 4.709 1.00 0.00 O ATOM 332 CB ALA A 21 19.749 -5.556 1.729 1.00 0.00 C ATOM 0 H ALA A 21 22.150 -5.085 2.174 1.00 0.00 H new ATOM 0 HA ALA A 21 19.660 -3.794 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.692 -5.790 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.891 -4.991 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.322 -6.482 1.679 1.00 0.00 H new ATOM 338 N PHE A 22 21.024 -6.036 4.831 1.00 0.00 N ATOM 339 CA PHE A 22 20.881 -6.689 6.120 1.00 0.00 C ATOM 340 C PHE A 22 20.830 -5.624 7.204 1.00 0.00 C ATOM 341 O PHE A 22 20.099 -5.761 8.178 1.00 0.00 O ATOM 342 CB PHE A 22 22.034 -7.657 6.368 1.00 0.00 C ATOM 343 CG PHE A 22 21.842 -8.440 7.646 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.797 -9.370 7.743 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.701 -8.237 8.736 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.605 -10.089 8.928 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.508 -8.955 9.922 1.00 0.00 C ATOM 348 CZ PHE A 22 21.458 -9.883 10.019 1.00 0.00 C ATOM 0 H PHE A 22 21.966 -6.067 4.440 1.00 0.00 H new ATOM 0 HA PHE A 22 19.958 -7.269 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.117 -8.347 5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.971 -7.102 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.139 -9.532 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.511 -7.527 8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.798 -10.803 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.167 -8.795 10.763 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.309 -10.437 10.934 1.00 0.00 H new ATOM 358 N ASN A 23 21.608 -4.552 7.040 1.00 0.00 N ATOM 359 CA ASN A 23 21.609 -3.447 7.983 1.00 0.00 C ATOM 360 C ASN A 23 20.216 -2.828 8.048 1.00 0.00 C ATOM 361 O ASN A 23 19.731 -2.502 9.129 1.00 0.00 O ATOM 362 CB ASN A 23 22.641 -2.431 7.497 1.00 0.00 C ATOM 363 CG ASN A 23 22.497 -1.089 8.193 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.964 -0.904 9.314 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.843 -0.151 7.520 1.00 0.00 N ATOM 0 H ASN A 23 22.248 -4.432 6.255 1.00 0.00 H new ATOM 0 HA ASN A 23 21.868 -3.784 8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.643 -2.823 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.534 -2.294 6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.710 0.773 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.474 -0.354 6.591 1.00 0.00 H new ATOM 372 N LEU A 24 19.574 -2.666 6.892 1.00 0.00 N ATOM 373 CA LEU A 24 18.229 -2.117 6.824 1.00 0.00 C ATOM 374 C LEU A 24 17.175 -3.145 7.249 1.00 0.00 C ATOM 375 O LEU A 24 16.051 -2.770 7.574 1.00 0.00 O ATOM 376 CB LEU A 24 17.952 -1.628 5.405 1.00 0.00 C ATOM 377 CG LEU A 24 18.932 -0.537 4.966 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.718 -0.247 3.485 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.723 0.751 5.763 1.00 0.00 C ATOM 0 H LEU A 24 19.971 -2.911 5.985 1.00 0.00 H new ATOM 0 HA LEU A 24 18.165 -1.281 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.014 -2.469 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.934 -1.243 5.348 1.00 0.00 H new ATOM 0 HG LEU A 24 19.947 -0.891 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.412 0.529 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.895 -1.154 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.694 0.092 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.434 1.506 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.707 1.115 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.878 0.552 6.823 1.00 0.00 H new ATOM 391 N LEU A 25 17.524 -4.433 7.251 1.00 0.00 N ATOM 392 CA LEU A 25 16.619 -5.485 7.681 1.00 0.00 C ATOM 393 C LEU A 25 16.619 -5.619 9.199 1.00 0.00 C ATOM 394 O LEU A 25 15.556 -5.789 9.790 1.00 0.00 O ATOM 395 CB LEU A 25 17.032 -6.794 6.993 1.00 0.00 C ATOM 396 CG LEU A 25 16.183 -7.998 7.409 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.718 -7.810 7.018 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.722 -9.237 6.701 1.00 0.00 C ATOM 0 H LEU A 25 18.440 -4.769 6.954 1.00 0.00 H new ATOM 0 HA LEU A 25 15.598 -5.237 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.961 -6.665 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.078 -7.001 7.221 1.00 0.00 H new ATOM 0 HG LEU A 25 16.239 -8.104 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.144 -8.683 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.321 -6.922 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.642 -7.691 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.129 -10.106 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.662 -9.094 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.761 -9.397 6.989 1.00 0.00 H new ATOM 410 N VAL A 26 17.783 -5.542 9.845 1.00 0.00 N ATOM 411 CA VAL A 26 17.817 -5.740 11.285 1.00 0.00 C ATOM 412 C VAL A 26 17.214 -4.560 12.030 1.00 0.00 C ATOM 413 O VAL A 26 16.755 -4.752 13.148 1.00 0.00 O ATOM 414 CB VAL A 26 19.223 -6.035 11.805 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.833 -7.241 11.100 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.142 -4.824 11.680 1.00 0.00 C ATOM 0 H VAL A 26 18.684 -5.350 9.408 1.00 0.00 H new ATOM 0 HA VAL A 26 17.205 -6.620 11.481 1.00 0.00 H new ATOM 0 HB VAL A 26 19.124 -6.270 12.865 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.833 -7.425 11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.209 -8.118 11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.894 -7.044 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.131 -5.077 12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.220 -4.533 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.732 -3.995 12.257 1.00 0.00 H new ATOM 426 N VAL A 27 17.192 -3.348 11.457 1.00 0.00 N ATOM 427 CA VAL A 27 16.604 -2.211 12.160 1.00 0.00 C ATOM 428 C VAL A 27 15.094 -2.388 12.315 1.00 0.00 C ATOM 429 O VAL A 27 14.506 -1.850 13.253 1.00 0.00 O ATOM 430 CB VAL A 27 16.914 -0.887 11.456 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.407 -0.584 11.512 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.490 -0.911 9.994 1.00 0.00 C ATOM 0 H VAL A 27 17.566 -3.137 10.532 1.00 0.00 H new ATOM 0 HA VAL A 27 17.056 -2.176 13.151 1.00 0.00 H new ATOM 0 HB VAL A 27 16.350 -0.116 11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.606 0.361 11.006 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.725 -0.513 12.552 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.959 -1.383 11.018 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.727 0.047 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 27 17.022 -1.708 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.417 -1.089 9.929 1.00 0.00 H new ATOM 442 N ARG A 28 14.461 -3.137 11.408 1.00 0.00 N ATOM 443 CA ARG A 28 13.031 -3.408 11.499 1.00 0.00 C ATOM 444 C ARG A 28 12.768 -4.337 12.677 1.00 0.00 C ATOM 445 O ARG A 28 11.718 -4.265 13.313 1.00 0.00 O ATOM 446 CB ARG A 28 12.546 -4.071 10.207 1.00 0.00 C ATOM 447 CG ARG A 28 13.061 -3.343 8.963 1.00 0.00 C ATOM 448 CD ARG A 28 12.499 -3.981 7.690 1.00 0.00 C ATOM 449 NE ARG A 28 11.059 -3.738 7.545 1.00 0.00 N ATOM 450 CZ ARG A 28 10.413 -3.682 6.376 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.062 -3.853 5.227 1.00 0.00 N ATOM 452 NH2 ARG A 28 9.104 -3.451 6.352 1.00 0.00 N ATOM 0 H ARG A 28 14.920 -3.565 10.604 1.00 0.00 H new ATOM 0 HA ARG A 28 12.494 -2.471 11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.879 -5.109 10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.456 -4.086 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.774 -2.292 9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.150 -3.376 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.024 -3.582 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.686 -5.055 7.709 1.00 0.00 H new ATOM 0 HE ARG A 28 10.513 -3.602 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.067 -4.030 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.555 -3.807 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.594 -3.317 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.610 -3.408 5.461 1.00 0.00 H new ATOM 466 N TYR A 29 13.735 -5.208 12.959 1.00 0.00 N ATOM 467 CA TYR A 29 13.639 -6.170 14.043 1.00 0.00 C ATOM 468 C TYR A 29 14.390 -5.713 15.293 1.00 0.00 C ATOM 469 O TYR A 29 14.271 -6.334 16.339 1.00 0.00 O ATOM 470 CB TYR A 29 14.140 -7.522 13.543 1.00 0.00 C ATOM 471 CG TYR A 29 13.212 -8.123 12.513 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.239 -7.680 11.182 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.308 -9.120 12.901 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.347 -8.209 10.241 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.418 -9.662 11.966 1.00 0.00 C ATOM 476 CZ TYR A 29 11.431 -9.205 10.632 1.00 0.00 C ATOM 477 OH TYR A 29 10.554 -9.725 9.727 1.00 0.00 O ATOM 0 H TYR A 29 14.609 -5.262 12.436 1.00 0.00 H new ATOM 0 HA TYR A 29 12.595 -6.259 14.345 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.134 -7.403 13.111 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.239 -8.206 14.386 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.952 -6.927 10.881 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.297 -9.471 13.922 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.361 -7.855 9.221 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.721 -10.430 12.267 1.00 0.00 H new ATOM 0 HH TYR A 29 10.953 -9.698 8.832 1.00 0.00 H new ATOM 487 N GLN A 30 15.167 -4.635 15.216 1.00 0.00 N ATOM 488 CA GLN A 30 15.974 -4.186 16.338 1.00 0.00 C ATOM 489 C GLN A 30 15.090 -3.788 17.519 1.00 0.00 C ATOM 490 O GLN A 30 15.502 -3.911 18.670 1.00 0.00 O ATOM 491 CB GLN A 30 16.851 -3.036 15.843 1.00 0.00 C ATOM 492 CG GLN A 30 17.921 -2.597 16.838 1.00 0.00 C ATOM 493 CD GLN A 30 18.816 -1.552 16.184 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.892 -0.412 16.634 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.500 -1.939 15.111 1.00 0.00 N ATOM 0 H GLN A 30 15.252 -4.056 14.381 1.00 0.00 H new ATOM 0 HA GLN A 30 16.613 -4.989 16.706 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.335 -3.336 14.914 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.215 -2.182 15.610 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.455 -2.185 17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.515 -3.455 17.154 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.411 -2.895 14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.114 -1.280 14.632 1.00 0.00 H new ATOM 504 N HIS A 31 13.872 -3.316 17.238 1.00 0.00 N ATOM 505 CA HIS A 31 12.911 -2.988 18.282 1.00 0.00 C ATOM 506 C HIS A 31 12.089 -4.215 18.690 1.00 0.00 C ATOM 507 O HIS A 31 11.696 -4.340 19.850 1.00 0.00 O ATOM 508 CB HIS A 31 12.005 -1.862 17.781 1.00 0.00 C ATOM 509 CG HIS A 31 11.000 -1.410 18.807 1.00 0.00 C ATOM 510 ND1 HIS A 31 9.625 -1.650 18.750 1.00 0.00 N ATOM 511 CD2 HIS A 31 11.289 -0.698 19.935 1.00 0.00 C ATOM 512 CE1 HIS A 31 9.119 -1.074 19.855 1.00 0.00 C ATOM 513 NE2 HIS A 31 10.092 -0.496 20.582 1.00 0.00 N ATOM 0 H HIS A 31 13.532 -3.154 16.290 1.00 0.00 H new ATOM 0 HA HIS A 31 13.447 -2.657 19.171 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.621 -1.012 17.486 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.478 -2.198 16.888 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.263 -0.360 20.256 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.073 -1.075 20.123 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.964 0.005 21.461 1.00 0.00 H new ATOM 521 N LYS A 32 11.827 -5.129 17.750 1.00 0.00 N ATOM 522 CA LYS A 32 10.976 -6.283 18.012 1.00 0.00 C ATOM 523 C LYS A 32 11.733 -7.402 18.724 1.00 0.00 C ATOM 524 O LYS A 32 11.160 -8.117 19.543 1.00 0.00 O ATOM 525 CB LYS A 32 10.406 -6.801 16.688 1.00 0.00 C ATOM 526 CG LYS A 32 9.603 -5.715 15.970 1.00 0.00 C ATOM 527 CD LYS A 32 9.062 -6.276 14.653 1.00 0.00 C ATOM 528 CE LYS A 32 8.273 -5.190 13.923 1.00 0.00 C ATOM 529 NZ LYS A 32 7.738 -5.692 12.644 1.00 0.00 N ATOM 0 H LYS A 32 12.196 -5.087 16.800 1.00 0.00 H new ATOM 0 HA LYS A 32 10.169 -5.964 18.671 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.219 -7.140 16.046 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.768 -7.664 16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.780 -5.378 16.600 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.234 -4.847 15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.885 -6.625 14.029 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.422 -7.137 14.847 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.453 -4.846 14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.917 -4.330 13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.207 -4.935 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.524 -5.998 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.106 -6.498 12.825 1.00 0.00 H new ATOM 543 N VAL A 33 13.021 -7.552 18.419 1.00 0.00 N ATOM 544 CA VAL A 33 13.873 -8.568 19.013 1.00 0.00 C ATOM 545 C VAL A 33 14.223 -8.165 20.436 1.00 0.00 C ATOM 546 O VAL A 33 14.299 -9.015 21.322 1.00 0.00 O ATOM 547 CB VAL A 33 15.145 -8.683 18.177 1.00 0.00 C ATOM 548 CG1 VAL A 33 16.068 -9.760 18.699 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.860 -9.181 16.774 1.00 0.00 C ATOM 0 H VAL A 33 13.504 -6.961 17.743 1.00 0.00 H new ATOM 0 HA VAL A 33 13.358 -9.528 19.035 1.00 0.00 H new ATOM 0 HB VAL A 33 15.571 -7.680 18.211 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.961 -9.808 18.075 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.354 -9.528 19.725 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.556 -10.722 18.674 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.793 -9.247 16.215 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.396 -10.166 16.825 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.185 -8.488 16.272 1.00 0.00 H new ATOM 559 N ALA A 34 14.430 -6.866 20.655 1.00 0.00 N ATOM 560 CA ALA A 34 14.725 -6.351 21.978 1.00 0.00 C ATOM 561 C ALA A 34 13.549 -6.589 22.919 1.00 0.00 C ATOM 562 O ALA A 34 13.748 -6.705 24.124 1.00 0.00 O ATOM 563 CB ALA A 34 15.023 -4.857 21.862 1.00 0.00 C ATOM 0 H ALA A 34 14.397 -6.154 19.925 1.00 0.00 H new ATOM 0 HA ALA A 34 15.591 -6.869 22.390 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.247 -4.453 22.849 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.880 -4.707 21.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.155 -4.344 21.449 1.00 0.00 H new ATOM 569 N SER A 35 12.327 -6.668 22.386 1.00 0.00 N ATOM 570 CA SER A 35 11.144 -6.869 23.206 1.00 0.00 C ATOM 571 C SER A 35 11.066 -8.303 23.719 1.00 0.00 C ATOM 572 O SER A 35 10.864 -8.524 24.914 1.00 0.00 O ATOM 573 CB SER A 35 9.901 -6.532 22.385 1.00 0.00 C ATOM 574 OG SER A 35 8.753 -6.571 23.205 1.00 0.00 O ATOM 0 H SER A 35 12.138 -6.595 21.386 1.00 0.00 H new ATOM 0 HA SER A 35 11.202 -6.211 24.073 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.007 -5.542 21.941 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.795 -7.241 21.564 1.00 0.00 H new ATOM 0 HG SER A 35 7.961 -6.352 22.670 1.00 0.00 H new ATOM 580 N LEU A 36 11.225 -9.289 22.830 1.00 0.00 N ATOM 581 CA LEU A 36 11.098 -10.684 23.224 1.00 0.00 C ATOM 582 C LEU A 36 12.322 -11.151 23.999 1.00 0.00 C ATOM 583 O LEU A 36 12.226 -12.090 24.783 1.00 0.00 O ATOM 584 CB LEU A 36 10.840 -11.561 21.995 1.00 0.00 C ATOM 585 CG LEU A 36 12.074 -11.738 21.104 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.935 -12.929 21.533 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.611 -12.025 19.685 1.00 0.00 C ATOM 0 H LEU A 36 11.440 -9.143 21.844 1.00 0.00 H new ATOM 0 HA LEU A 36 10.242 -10.778 23.892 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.494 -12.541 22.323 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.036 -11.120 21.406 1.00 0.00 H new ATOM 0 HG LEU A 36 12.662 -10.824 21.181 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.797 -13.012 20.871 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.277 -12.780 22.557 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.345 -13.844 21.477 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.479 -12.154 19.038 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.013 -12.936 19.675 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.009 -11.191 19.323 1.00 0.00 H new ATOM 599 N VAL A 37 13.475 -10.511 23.791 1.00 0.00 N ATOM 600 CA VAL A 37 14.689 -10.909 24.484 1.00 0.00 C ATOM 601 C VAL A 37 14.825 -10.229 25.852 1.00 0.00 C ATOM 602 O VAL A 37 15.608 -10.679 26.684 1.00 0.00 O ATOM 603 CB VAL A 37 15.893 -10.659 23.579 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.364 -9.217 23.706 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.050 -11.581 23.945 1.00 0.00 C ATOM 0 H VAL A 37 13.587 -9.723 23.153 1.00 0.00 H new ATOM 0 HA VAL A 37 14.638 -11.976 24.699 1.00 0.00 H new ATOM 0 HB VAL A 37 15.580 -10.859 22.554 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.223 -9.056 23.054 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.557 -8.544 23.416 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.650 -9.017 24.739 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.895 -11.383 23.286 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.346 -11.401 24.979 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.737 -12.619 23.833 1.00 0.00 H new ATOM 615 N SER A 38 14.073 -9.151 26.102 1.00 0.00 N ATOM 616 CA SER A 38 14.118 -8.443 27.376 1.00 0.00 C ATOM 617 C SER A 38 13.579 -9.303 28.519 1.00 0.00 C ATOM 618 O SER A 38 13.760 -8.947 29.684 1.00 0.00 O ATOM 619 CB SER A 38 13.302 -7.158 27.281 1.00 0.00 C ATOM 620 OG SER A 38 14.045 -6.155 26.629 1.00 0.00 O ATOM 0 H SER A 38 13.421 -8.751 25.428 1.00 0.00 H new ATOM 0 HA SER A 38 15.161 -8.210 27.590 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.376 -7.346 26.737 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.022 -6.822 28.279 1.00 0.00 H new ATOM 0 HG SER A 38 13.840 -6.166 25.671 1.00 0.00 H new ATOM 626 N ARG A 39 12.922 -10.430 28.220 1.00 0.00 N ATOM 627 CA ARG A 39 12.479 -11.357 29.260 1.00 0.00 C ATOM 628 C ARG A 39 13.508 -12.453 29.523 1.00 0.00 C ATOM 629 O ARG A 39 13.313 -13.274 30.418 1.00 0.00 O ATOM 630 CB ARG A 39 11.100 -11.931 28.920 1.00 0.00 C ATOM 631 CG ARG A 39 11.169 -12.999 27.828 1.00 0.00 C ATOM 632 CD ARG A 39 9.760 -13.440 27.454 1.00 0.00 C ATOM 633 NE ARG A 39 9.796 -14.535 26.479 1.00 0.00 N ATOM 634 CZ ARG A 39 8.810 -14.820 25.626 1.00 0.00 C ATOM 635 NH1 ARG A 39 7.695 -14.091 25.597 1.00 0.00 N ATOM 636 NH2 ARG A 39 8.938 -15.845 24.790 1.00 0.00 N ATOM 0 H ARG A 39 12.688 -10.718 27.270 1.00 0.00 H new ATOM 0 HA ARG A 39 12.385 -10.796 30.190 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.656 -12.361 29.818 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.443 -11.124 28.595 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.682 -12.604 26.951 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.748 -13.854 28.178 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.226 -13.761 28.348 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.209 -12.596 27.039 1.00 0.00 H new ATOM 0 HE ARG A 39 10.632 -15.119 26.451 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.585 -13.301 26.233 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.951 -14.323 24.939 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.787 -16.410 24.802 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.187 -16.067 24.136 1.00 0.00 H new ATOM 650 N TYR A 40 14.599 -12.472 28.750 1.00 0.00 N ATOM 651 CA TYR A 40 15.662 -13.452 28.914 1.00 0.00 C ATOM 652 C TYR A 40 16.959 -12.795 29.392 1.00 0.00 C ATOM 653 O TYR A 40 17.830 -13.482 29.922 1.00 0.00 O ATOM 654 CB TYR A 40 15.870 -14.199 27.595 1.00 0.00 C ATOM 655 CG TYR A 40 14.667 -15.002 27.138 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.363 -16.226 27.757 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.860 -14.531 26.092 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.261 -16.979 27.324 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.769 -15.286 25.641 1.00 0.00 C ATOM 660 CZ TYR A 40 12.463 -16.513 26.261 1.00 0.00 C ATOM 661 OH TYR A 40 11.394 -17.240 25.832 1.00 0.00 O ATOM 0 H TYR A 40 14.764 -11.806 27.995 1.00 0.00 H new ATOM 0 HA TYR A 40 15.368 -14.166 29.684 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.127 -13.478 26.819 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.722 -14.871 27.701 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.978 -16.588 28.567 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.081 -13.580 25.631 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.025 -17.916 27.806 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.165 -14.928 24.821 1.00 0.00 H new ATOM 0 HH TYR A 40 11.024 -17.751 26.582 1.00 0.00 H new ATOM 671 N VAL A 41 17.098 -11.476 29.215 1.00 0.00 N ATOM 672 CA VAL A 41 18.217 -10.706 29.748 1.00 0.00 C ATOM 673 C VAL A 41 17.719 -9.336 30.211 1.00 0.00 C ATOM 674 O VAL A 41 16.720 -8.839 29.688 1.00 0.00 O ATOM 675 CB VAL A 41 19.337 -10.547 28.710 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.086 -11.868 28.528 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.797 -10.074 27.360 1.00 0.00 C ATOM 0 H VAL A 41 16.428 -10.912 28.692 1.00 0.00 H new ATOM 0 HA VAL A 41 18.634 -11.248 30.597 1.00 0.00 H new ATOM 0 HB VAL A 41 20.022 -9.787 29.086 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.877 -11.739 27.789 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.524 -12.172 29.479 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.392 -12.636 28.186 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.621 -9.974 26.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.079 -10.801 26.980 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.305 -9.109 27.483 1.00 0.00 H new ATOM 687 N PRO A 42 18.392 -8.714 31.187 1.00 0.00 N ATOM 688 CA PRO A 42 17.993 -7.432 31.751 1.00 0.00 C ATOM 689 C PRO A 42 18.202 -6.295 30.755 1.00 0.00 C ATOM 690 O PRO A 42 18.840 -6.470 29.716 1.00 0.00 O ATOM 691 CB PRO A 42 18.865 -7.256 32.995 1.00 0.00 C ATOM 692 CG PRO A 42 20.136 -8.012 32.620 1.00 0.00 C ATOM 693 CD PRO A 42 19.597 -9.202 31.833 1.00 0.00 C ATOM 0 HA PRO A 42 16.931 -7.410 31.996 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.065 -6.205 33.204 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.392 -7.674 33.884 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.809 -7.400 32.019 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.694 -8.328 33.501 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.324 -9.551 31.099 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.379 -10.043 32.491 1.00 0.00 H new ATOM 701 N SER A 43 17.657 -5.120 31.082 1.00 0.00 N ATOM 702 CA SER A 43 17.686 -3.956 30.203 1.00 0.00 C ATOM 703 C SER A 43 19.105 -3.437 29.970 1.00 0.00 C ATOM 704 O SER A 43 19.318 -2.604 29.094 1.00 0.00 O ATOM 705 CB SER A 43 16.821 -2.852 30.803 1.00 0.00 C ATOM 706 OG SER A 43 15.510 -3.335 31.017 1.00 0.00 O ATOM 0 H SER A 43 17.182 -4.952 31.969 1.00 0.00 H new ATOM 0 HA SER A 43 17.294 -4.261 29.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.251 -2.511 31.745 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.797 -1.992 30.134 1.00 0.00 H new ATOM 0 HG SER A 43 14.958 -2.623 31.404 1.00 0.00 H new ATOM 712 N GLY A 44 20.083 -3.919 30.747 1.00 0.00 N ATOM 713 CA GLY A 44 21.472 -3.524 30.577 1.00 0.00 C ATOM 714 C GLY A 44 22.227 -4.408 29.583 1.00 0.00 C ATOM 715 O GLY A 44 23.269 -4.003 29.074 1.00 0.00 O ATOM 0 H GLY A 44 19.928 -4.587 31.502 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.511 -2.489 30.237 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.975 -3.561 31.543 1.00 0.00 H new ATOM 719 N ASP A 45 21.710 -5.611 29.306 1.00 0.00 N ATOM 720 CA ASP A 45 22.371 -6.571 28.432 1.00 0.00 C ATOM 721 C ASP A 45 21.553 -6.862 27.173 1.00 0.00 C ATOM 722 O ASP A 45 22.019 -7.572 26.284 1.00 0.00 O ATOM 723 CB ASP A 45 22.655 -7.849 29.218 1.00 0.00 C ATOM 724 CG ASP A 45 23.677 -7.603 30.328 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.888 -7.618 30.013 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.242 -7.401 31.483 1.00 0.00 O ATOM 0 H ASP A 45 20.822 -5.940 29.684 1.00 0.00 H new ATOM 0 HA ASP A 45 23.312 -6.139 28.090 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.728 -8.226 29.651 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.027 -8.619 28.542 1.00 0.00 H new ATOM 731 N VAL A 46 20.333 -6.323 27.080 1.00 0.00 N ATOM 732 CA VAL A 46 19.487 -6.540 25.916 1.00 0.00 C ATOM 733 C VAL A 46 20.048 -5.945 24.619 1.00 0.00 C ATOM 734 O VAL A 46 19.844 -6.555 23.571 1.00 0.00 O ATOM 735 CB VAL A 46 18.064 -6.037 26.194 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.004 -4.596 26.686 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.209 -6.114 24.935 1.00 0.00 C ATOM 0 H VAL A 46 19.915 -5.734 27.800 1.00 0.00 H new ATOM 0 HA VAL A 46 19.462 -7.617 25.748 1.00 0.00 H new ATOM 0 HB VAL A 46 17.688 -6.690 26.982 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.966 -4.314 26.860 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.565 -4.505 27.616 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.438 -3.937 25.934 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.204 -5.753 25.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.654 -5.497 24.155 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.156 -7.148 24.594 1.00 0.00 H new ATOM 747 N PRO A 47 20.745 -4.798 24.612 1.00 0.00 N ATOM 748 CA PRO A 47 21.182 -4.207 23.359 1.00 0.00 C ATOM 749 C PRO A 47 22.346 -4.985 22.755 1.00 0.00 C ATOM 750 O PRO A 47 22.546 -4.960 21.544 1.00 0.00 O ATOM 751 CB PRO A 47 21.599 -2.784 23.719 1.00 0.00 C ATOM 752 CG PRO A 47 22.107 -2.934 25.152 1.00 0.00 C ATOM 753 CD PRO A 47 21.163 -3.979 25.740 1.00 0.00 C ATOM 0 HA PRO A 47 20.394 -4.224 22.606 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.375 -2.409 23.052 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.762 -2.089 23.657 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.145 -3.266 25.180 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.058 -1.992 25.699 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.665 -4.580 26.498 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.307 -3.508 26.223 1.00 0.00 H new ATOM 761 N ASP A 48 23.116 -5.682 23.594 1.00 0.00 N ATOM 762 CA ASP A 48 24.267 -6.432 23.124 1.00 0.00 C ATOM 763 C ASP A 48 23.844 -7.811 22.616 1.00 0.00 C ATOM 764 O ASP A 48 24.505 -8.379 21.749 1.00 0.00 O ATOM 765 CB ASP A 48 25.279 -6.552 24.265 1.00 0.00 C ATOM 766 CG ASP A 48 26.603 -7.133 23.768 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.339 -6.387 23.082 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.867 -8.315 24.079 1.00 0.00 O ATOM 0 H ASP A 48 22.958 -5.738 24.600 1.00 0.00 H new ATOM 0 HA ASP A 48 24.729 -5.907 22.288 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.452 -5.571 24.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.872 -7.188 25.051 1.00 0.00 H new ATOM 773 N VAL A 49 22.743 -8.348 23.152 1.00 0.00 N ATOM 774 CA VAL A 49 22.241 -9.648 22.734 1.00 0.00 C ATOM 775 C VAL A 49 21.450 -9.521 21.435 1.00 0.00 C ATOM 776 O VAL A 49 21.418 -10.461 20.645 1.00 0.00 O ATOM 777 CB VAL A 49 21.408 -10.262 23.863 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.743 -11.562 23.417 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.318 -10.593 25.049 1.00 0.00 C ATOM 0 H VAL A 49 22.186 -7.896 23.877 1.00 0.00 H new ATOM 0 HA VAL A 49 23.076 -10.319 22.532 1.00 0.00 H new ATOM 0 HB VAL A 49 20.643 -9.536 24.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.159 -11.973 24.240 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.086 -11.363 22.570 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.508 -12.279 23.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.725 -11.030 25.852 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.082 -11.304 24.734 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.796 -9.681 25.406 1.00 0.00 H new ATOM 789 N VAL A 50 20.808 -8.370 21.197 1.00 0.00 N ATOM 790 CA VAL A 50 20.149 -8.123 19.919 1.00 0.00 C ATOM 791 C VAL A 50 21.214 -7.966 18.843 1.00 0.00 C ATOM 792 O VAL A 50 21.016 -8.393 17.707 1.00 0.00 O ATOM 793 CB VAL A 50 19.281 -6.864 20.014 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.798 -6.416 18.638 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.051 -7.155 20.866 1.00 0.00 C ATOM 0 H VAL A 50 20.734 -7.606 21.868 1.00 0.00 H new ATOM 0 HA VAL A 50 19.500 -8.961 19.663 1.00 0.00 H new ATOM 0 HB VAL A 50 19.891 -6.077 20.457 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.185 -5.521 18.741 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.657 -6.196 18.004 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.206 -7.211 18.184 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.434 -6.259 20.933 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.474 -7.959 20.409 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.364 -7.456 21.866 1.00 0.00 H new ATOM 805 N GLN A 51 22.354 -7.355 19.184 1.00 0.00 N ATOM 806 CA GLN A 51 23.434 -7.200 18.228 1.00 0.00 C ATOM 807 C GLN A 51 24.067 -8.556 17.933 1.00 0.00 C ATOM 808 O GLN A 51 24.329 -8.868 16.775 1.00 0.00 O ATOM 809 CB GLN A 51 24.462 -6.207 18.768 1.00 0.00 C ATOM 810 CG GLN A 51 25.575 -5.976 17.744 1.00 0.00 C ATOM 811 CD GLN A 51 26.588 -4.933 18.216 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.460 -4.359 19.296 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.609 -4.679 17.403 1.00 0.00 N ATOM 0 H GLN A 51 22.543 -6.966 20.108 1.00 0.00 H new ATOM 0 HA GLN A 51 23.041 -6.804 17.291 1.00 0.00 H new ATOM 0 HB2 GLN A 51 23.974 -5.261 19.003 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.888 -6.585 19.697 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.089 -6.917 17.550 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.136 -5.652 16.800 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.687 -5.172 16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.314 -3.991 17.669 1.00 0.00 H new ATOM 822 N GLU A 52 24.314 -9.374 18.962 1.00 0.00 N ATOM 823 CA GLU A 52 24.908 -10.686 18.739 1.00 0.00 C ATOM 824 C GLU A 52 23.923 -11.580 17.990 1.00 0.00 C ATOM 825 O GLU A 52 24.340 -12.453 17.231 1.00 0.00 O ATOM 826 CB GLU A 52 25.322 -11.316 20.068 1.00 0.00 C ATOM 827 CG GLU A 52 26.087 -12.623 19.822 1.00 0.00 C ATOM 828 CD GLU A 52 26.587 -13.257 21.117 1.00 0.00 C ATOM 829 OE1 GLU A 52 26.970 -12.500 22.037 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.585 -14.508 21.178 1.00 0.00 O ATOM 0 H GLU A 52 24.115 -9.152 19.937 1.00 0.00 H new ATOM 0 HA GLU A 52 25.804 -10.574 18.129 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.947 -10.621 20.629 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.439 -11.512 20.676 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.438 -13.328 19.302 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.935 -12.427 19.166 1.00 0.00 H new ATOM 837 N ALA A 53 22.617 -11.371 18.191 1.00 0.00 N ATOM 838 CA ALA A 53 21.612 -12.146 17.489 1.00 0.00 C ATOM 839 C ALA A 53 21.619 -11.799 16.003 1.00 0.00 C ATOM 840 O ALA A 53 21.389 -12.674 15.175 1.00 0.00 O ATOM 841 CB ALA A 53 20.242 -11.875 18.104 1.00 0.00 C ATOM 0 H ALA A 53 22.242 -10.673 18.833 1.00 0.00 H new ATOM 0 HA ALA A 53 21.838 -13.208 17.587 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.485 -12.457 17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.252 -12.161 19.156 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.008 -10.814 18.018 1.00 0.00 H new ATOM 847 N PHE A 54 21.886 -10.536 15.652 1.00 0.00 N ATOM 848 CA PHE A 54 21.985 -10.128 14.259 1.00 0.00 C ATOM 849 C PHE A 54 23.304 -10.573 13.631 1.00 0.00 C ATOM 850 O PHE A 54 23.334 -10.901 12.448 1.00 0.00 O ATOM 851 CB PHE A 54 21.822 -8.612 14.163 1.00 0.00 C ATOM 852 CG PHE A 54 20.453 -8.089 14.563 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.300 -8.858 14.341 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.335 -6.822 15.156 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.046 -8.361 14.705 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.073 -6.318 15.503 1.00 0.00 C ATOM 857 CZ PHE A 54 17.931 -7.091 15.282 1.00 0.00 C ATOM 0 H PHE A 54 22.037 -9.781 16.321 1.00 0.00 H new ATOM 0 HA PHE A 54 21.187 -10.615 13.699 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.574 -8.140 14.795 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.027 -8.303 13.138 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.382 -9.835 13.888 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.220 -6.233 15.346 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.162 -8.959 14.541 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.985 -5.334 15.940 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.959 -6.709 15.556 1.00 0.00 H new ATOM 867 N ILE A 55 24.400 -10.593 14.397 1.00 0.00 N ATOM 868 CA ILE A 55 25.680 -11.053 13.871 1.00 0.00 C ATOM 869 C ILE A 55 25.622 -12.565 13.665 1.00 0.00 C ATOM 870 O ILE A 55 26.191 -13.085 12.705 1.00 0.00 O ATOM 871 CB ILE A 55 26.809 -10.669 14.838 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.925 -9.140 14.940 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.137 -11.261 14.362 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.908 -8.704 16.030 1.00 0.00 C ATOM 0 H ILE A 55 24.423 -10.298 15.373 1.00 0.00 H new ATOM 0 HA ILE A 55 25.882 -10.577 12.912 1.00 0.00 H new ATOM 0 HB ILE A 55 26.575 -11.072 15.823 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.248 -8.737 13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.943 -8.716 15.149 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.930 -10.982 15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.057 -12.347 14.321 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.372 -10.877 13.369 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.955 -7.616 16.063 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.572 -9.082 16.995 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.898 -9.104 15.808 1.00 0.00 H new ATOM 886 N LYS A 56 24.930 -13.269 14.564 1.00 0.00 N ATOM 887 CA LYS A 56 24.774 -14.712 14.497 1.00 0.00 C ATOM 888 C LYS A 56 23.736 -15.085 13.441 1.00 0.00 C ATOM 889 O LYS A 56 23.857 -16.124 12.792 1.00 0.00 O ATOM 890 CB LYS A 56 24.360 -15.186 15.890 1.00 0.00 C ATOM 891 CG LYS A 56 24.274 -16.707 15.991 1.00 0.00 C ATOM 892 CD LYS A 56 23.771 -17.108 17.383 1.00 0.00 C ATOM 893 CE LYS A 56 24.668 -16.578 18.506 1.00 0.00 C ATOM 894 NZ LYS A 56 26.034 -17.135 18.426 1.00 0.00 N ATOM 0 H LYS A 56 24.461 -12.844 15.363 1.00 0.00 H new ATOM 0 HA LYS A 56 25.705 -15.197 14.203 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.077 -14.817 16.623 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.392 -14.753 16.144 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.601 -17.094 15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.253 -17.149 15.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.758 -16.730 17.523 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.718 -18.195 17.447 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.715 -15.490 18.451 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.229 -16.830 19.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.596 -16.793 19.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.988 -18.174 18.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.481 -16.831 17.538 1.00 0.00 H new ATOM 908 N ALA A 57 22.715 -14.243 13.264 1.00 0.00 N ATOM 909 CA ALA A 57 21.680 -14.506 12.282 1.00 0.00 C ATOM 910 C ALA A 57 22.252 -14.400 10.876 1.00 0.00 C ATOM 911 O ALA A 57 21.924 -15.223 10.032 1.00 0.00 O ATOM 912 CB ALA A 57 20.528 -13.517 12.460 1.00 0.00 C ATOM 0 H ALA A 57 22.590 -13.378 13.790 1.00 0.00 H new ATOM 0 HA ALA A 57 21.302 -15.518 12.429 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.755 -13.721 11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.109 -13.623 13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.898 -12.500 12.328 1.00 0.00 H new ATOM 918 N TYR A 58 23.102 -13.408 10.604 1.00 0.00 N ATOM 919 CA TYR A 58 23.639 -13.224 9.267 1.00 0.00 C ATOM 920 C TYR A 58 24.489 -14.418 8.843 1.00 0.00 C ATOM 921 O TYR A 58 24.461 -14.823 7.679 1.00 0.00 O ATOM 922 CB TYR A 58 24.471 -11.951 9.251 1.00 0.00 C ATOM 923 CG TYR A 58 24.971 -11.582 7.872 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.076 -11.070 6.919 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.323 -11.754 7.549 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.542 -10.697 5.650 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.792 -11.396 6.279 1.00 0.00 C ATOM 928 CZ TYR A 58 25.904 -10.859 5.325 1.00 0.00 C ATOM 929 OH TYR A 58 26.355 -10.498 4.091 1.00 0.00 O ATOM 0 H TYR A 58 23.428 -12.728 11.291 1.00 0.00 H new ATOM 0 HA TYR A 58 22.815 -13.143 8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.873 -11.129 9.645 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.324 -12.074 9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.029 -10.963 7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.004 -12.163 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.858 -10.286 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.834 -11.531 6.030 1.00 0.00 H new ATOM 0 HH TYR A 58 27.317 -10.673 4.030 1.00 0.00 H new ATOM 939 N ARG A 59 25.248 -14.988 9.782 1.00 0.00 N ATOM 940 CA ARG A 59 26.088 -16.155 9.522 1.00 0.00 C ATOM 941 C ARG A 59 25.247 -17.407 9.306 1.00 0.00 C ATOM 942 O ARG A 59 25.724 -18.377 8.722 1.00 0.00 O ATOM 943 CB ARG A 59 27.053 -16.352 10.690 1.00 0.00 C ATOM 944 CG ARG A 59 27.998 -15.159 10.817 1.00 0.00 C ATOM 945 CD ARG A 59 28.795 -15.291 12.109 1.00 0.00 C ATOM 946 NE ARG A 59 29.767 -16.384 12.032 1.00 0.00 N ATOM 947 CZ ARG A 59 30.602 -16.718 13.023 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.592 -16.046 14.171 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.452 -17.727 12.863 1.00 0.00 N ATOM 0 H ARG A 59 25.296 -14.652 10.744 1.00 0.00 H new ATOM 0 HA ARG A 59 26.654 -15.981 8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.491 -16.477 11.615 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.630 -17.265 10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.672 -15.120 9.961 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.431 -14.228 10.818 1.00 0.00 H new ATOM 0 HD2 ARG A 59 29.314 -14.355 12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 59 28.114 -15.467 12.941 1.00 0.00 H new ATOM 0 HE ARG A 59 29.810 -16.925 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.944 -15.269 14.301 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.232 -16.308 14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.468 -18.246 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.089 -17.982 13.618 1.00 0.00 H new ATOM 963 N ALA A 60 23.995 -17.388 9.771 1.00 0.00 N ATOM 964 CA ALA A 60 23.065 -18.494 9.591 1.00 0.00 C ATOM 965 C ALA A 60 22.048 -18.186 8.485 1.00 0.00 C ATOM 966 O ALA A 60 21.312 -19.074 8.061 1.00 0.00 O ATOM 967 CB ALA A 60 22.378 -18.770 10.926 1.00 0.00 C ATOM 0 H ALA A 60 23.601 -16.599 10.284 1.00 0.00 H new ATOM 0 HA ALA A 60 23.607 -19.385 9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.677 -19.596 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.127 -19.032 11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.839 -17.879 11.249 1.00 0.00 H new ATOM 973 N LEU A 61 22.004 -16.937 8.013 1.00 0.00 N ATOM 974 CA LEU A 61 21.055 -16.499 7.003 1.00 0.00 C ATOM 975 C LEU A 61 21.467 -17.024 5.632 1.00 0.00 C ATOM 976 O LEU A 61 20.635 -17.167 4.737 1.00 0.00 O ATOM 977 CB LEU A 61 21.015 -14.968 7.009 1.00 0.00 C ATOM 978 CG LEU A 61 19.836 -14.420 6.206 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.518 -14.774 6.885 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.957 -12.905 6.150 1.00 0.00 C ATOM 0 H LEU A 61 22.635 -16.200 8.328 1.00 0.00 H new ATOM 0 HA LEU A 61 20.062 -16.891 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.950 -14.612 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.946 -14.580 6.596 1.00 0.00 H new ATOM 0 HG LEU A 61 19.851 -14.854 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.689 -14.376 6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.425 -15.858 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.496 -14.342 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.123 -12.494 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.939 -12.501 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.896 -12.633 5.667 1.00 0.00 H new ATOM 992 N ASP A 62 22.760 -17.314 5.473 1.00 0.00 N ATOM 993 CA ASP A 62 23.270 -17.952 4.265 1.00 0.00 C ATOM 994 C ASP A 62 22.743 -19.386 4.147 1.00 0.00 C ATOM 995 O ASP A 62 22.916 -20.024 3.107 1.00 0.00 O ATOM 996 CB ASP A 62 24.795 -17.924 4.321 1.00 0.00 C ATOM 997 CG ASP A 62 25.424 -18.476 3.044 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.186 -17.866 1.978 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.133 -19.503 3.144 1.00 0.00 O ATOM 0 H ASP A 62 23.475 -17.114 6.173 1.00 0.00 H new ATOM 0 HA ASP A 62 22.927 -17.414 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.133 -16.900 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.137 -18.508 5.176 1.00 0.00 H new ATOM 1004 N SER A 63 22.104 -19.889 5.207 1.00 0.00 N ATOM 1005 CA SER A 63 21.529 -21.222 5.245 1.00 0.00 C ATOM 1006 C SER A 63 20.001 -21.171 5.294 1.00 0.00 C ATOM 1007 O SER A 63 19.350 -22.213 5.357 1.00 0.00 O ATOM 1008 CB SER A 63 22.095 -21.979 6.446 1.00 0.00 C ATOM 1009 OG SER A 63 23.508 -22.034 6.369 1.00 0.00 O ATOM 0 H SER A 63 21.974 -19.367 6.073 1.00 0.00 H new ATOM 0 HA SER A 63 21.798 -21.749 4.330 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.793 -21.487 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.686 -22.989 6.474 1.00 0.00 H new ATOM 0 HG SER A 63 23.859 -22.520 7.144 1.00 0.00 H new ATOM 1015 N PHE A 64 19.415 -19.967 5.266 1.00 0.00 N ATOM 1016 CA PHE A 64 17.970 -19.806 5.233 1.00 0.00 C ATOM 1017 C PHE A 64 17.445 -20.154 3.843 1.00 0.00 C ATOM 1018 O PHE A 64 18.128 -19.935 2.843 1.00 0.00 O ATOM 1019 CB PHE A 64 17.603 -18.379 5.634 1.00 0.00 C ATOM 1020 CG PHE A 64 16.110 -18.131 5.663 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.338 -18.648 6.714 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.498 -17.389 4.641 1.00 0.00 C ATOM 1023 CE1 PHE A 64 13.955 -18.420 6.744 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.116 -17.156 4.676 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.344 -17.670 5.726 1.00 0.00 C ATOM 0 H PHE A 64 19.932 -19.088 5.266 1.00 0.00 H new ATOM 0 HA PHE A 64 17.503 -20.485 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.019 -18.167 6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.067 -17.682 4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.809 -19.221 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.091 -16.998 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.359 -18.821 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.646 -16.580 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.280 -17.490 5.753 1.00 0.00 H new ATOM 1099 N PHE A 70 10.497 -15.553 8.123 1.00 0.00 N ATOM 1100 CA PHE A 70 11.769 -14.994 8.549 1.00 0.00 C ATOM 1101 C PHE A 70 11.700 -14.461 9.976 1.00 0.00 C ATOM 1102 O PHE A 70 12.692 -14.532 10.699 1.00 0.00 O ATOM 1103 CB PHE A 70 12.181 -13.859 7.613 1.00 0.00 C ATOM 1104 CG PHE A 70 13.428 -13.148 8.090 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.661 -13.820 8.100 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.354 -11.820 8.539 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.810 -13.169 8.567 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.507 -11.169 9.000 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.737 -11.843 9.014 1.00 0.00 C ATOM 0 HA PHE A 70 12.506 -15.796 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.353 -14.259 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.364 -13.142 7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.723 -14.839 7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.408 -11.299 8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.755 -13.691 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.448 -10.147 9.345 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.625 -11.341 9.368 1.00 0.00 H new ATOM 1119 N TYR A 71 10.552 -13.928 10.398 1.00 0.00 N ATOM 1120 CA TYR A 71 10.461 -13.364 11.731 1.00 0.00 C ATOM 1121 C TYR A 71 10.518 -14.471 12.782 1.00 0.00 C ATOM 1122 O TYR A 71 11.128 -14.280 13.834 1.00 0.00 O ATOM 1123 CB TYR A 71 9.195 -12.515 11.866 1.00 0.00 C ATOM 1124 CG TYR A 71 7.891 -13.276 11.766 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.380 -13.935 12.890 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.189 -13.309 10.550 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.166 -14.632 12.807 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.974 -14.001 10.457 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.457 -14.667 11.589 1.00 0.00 C ATOM 1130 OH TYR A 71 4.278 -15.346 11.504 1.00 0.00 O ATOM 0 H TYR A 71 9.696 -13.878 9.846 1.00 0.00 H new ATOM 0 HA TYR A 71 11.315 -12.708 11.899 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.223 -12.001 12.827 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.208 -11.747 11.093 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.922 -13.907 13.824 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.587 -12.800 9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.775 -15.141 13.675 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.435 -14.025 9.522 1.00 0.00 H new ATOM 0 HH TYR A 71 3.920 -15.268 10.595 1.00 0.00 H new ATOM 1140 N THR A 72 9.898 -15.626 12.510 1.00 0.00 N ATOM 1141 CA THR A 72 9.938 -16.739 13.447 1.00 0.00 C ATOM 1142 C THR A 72 11.343 -17.322 13.475 1.00 0.00 C ATOM 1143 O THR A 72 11.831 -17.714 14.530 1.00 0.00 O ATOM 1144 CB THR A 72 8.938 -17.820 13.033 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.642 -17.273 12.961 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.933 -18.952 14.060 1.00 0.00 C ATOM 0 H THR A 72 9.370 -15.807 11.656 1.00 0.00 H new ATOM 0 HA THR A 72 9.669 -16.379 14.440 1.00 0.00 H new ATOM 0 HB THR A 72 9.233 -18.208 12.058 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.692 -16.299 13.059 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.218 -19.716 13.756 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.929 -19.391 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.649 -18.557 15.035 1.00 0.00 H new ATOM 1154 N TRP A 73 11.994 -17.375 12.307 1.00 0.00 N ATOM 1155 CA TRP A 73 13.333 -17.921 12.197 1.00 0.00 C ATOM 1156 C TRP A 73 14.348 -17.017 12.893 1.00 0.00 C ATOM 1157 O TRP A 73 15.329 -17.512 13.448 1.00 0.00 O ATOM 1158 CB TRP A 73 13.666 -18.075 10.715 1.00 0.00 C ATOM 1159 CG TRP A 73 15.065 -18.523 10.442 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.462 -19.798 10.245 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.273 -17.708 10.339 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.821 -19.835 10.038 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.377 -18.575 10.104 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.548 -16.331 10.432 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.687 -18.105 10.000 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.861 -15.846 10.317 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.929 -16.729 10.110 1.00 0.00 C ATOM 0 H TRP A 73 11.604 -17.042 11.425 1.00 0.00 H new ATOM 0 HA TRP A 73 13.378 -18.893 12.689 1.00 0.00 H new ATOM 0 HB2 TRP A 73 12.975 -18.792 10.272 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.499 -17.120 10.216 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.810 -20.659 10.249 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.351 -20.688 9.858 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.737 -15.637 10.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.504 -18.793 9.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.049 -14.785 10.389 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.937 -16.350 10.035 1.00 0.00 H new ATOM 1178 N LEU A 74 14.122 -15.700 12.871 1.00 0.00 N ATOM 1179 CA LEU A 74 15.044 -14.745 13.469 1.00 0.00 C ATOM 1180 C LEU A 74 14.869 -14.683 14.980 1.00 0.00 C ATOM 1181 O LEU A 74 15.843 -14.520 15.710 1.00 0.00 O ATOM 1182 CB LEU A 74 14.796 -13.368 12.845 1.00 0.00 C ATOM 1183 CG LEU A 74 15.725 -12.301 13.435 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.189 -12.604 13.117 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.361 -10.936 12.859 1.00 0.00 C ATOM 0 H LEU A 74 13.301 -15.274 12.441 1.00 0.00 H new ATOM 0 HA LEU A 74 16.068 -15.064 13.273 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.946 -13.425 11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.758 -13.077 13.007 1.00 0.00 H new ATOM 0 HG LEU A 74 15.599 -12.301 14.518 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.823 -11.830 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.460 -13.572 13.539 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.329 -12.627 12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.021 -10.177 13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.474 -10.957 11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.328 -10.698 13.112 1.00 0.00 H new ATOM 1197 N TYR A 75 13.632 -14.814 15.463 1.00 0.00 N ATOM 1198 CA TYR A 75 13.365 -14.753 16.889 1.00 0.00 C ATOM 1199 C TYR A 75 13.921 -15.973 17.617 1.00 0.00 C ATOM 1200 O TYR A 75 14.124 -15.917 18.827 1.00 0.00 O ATOM 1201 CB TYR A 75 11.867 -14.561 17.129 1.00 0.00 C ATOM 1202 CG TYR A 75 11.323 -13.234 16.629 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.154 -12.104 16.542 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.975 -13.134 16.256 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.643 -10.878 16.100 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.457 -11.912 15.794 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.292 -10.781 15.713 1.00 0.00 C ATOM 1208 OH TYR A 75 9.794 -9.597 15.255 1.00 0.00 O ATOM 0 H TYR A 75 12.806 -14.962 14.884 1.00 0.00 H new ATOM 0 HA TYR A 75 13.884 -13.891 17.308 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.325 -15.371 16.640 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.668 -14.644 18.197 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.195 -12.182 16.818 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.332 -13.999 16.324 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.283 -10.009 16.056 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.420 -11.840 15.501 1.00 0.00 H new ATOM 0 HH TYR A 75 10.364 -9.260 14.533 1.00 0.00 H new ATOM 1218 N ARG A 76 14.174 -17.072 16.897 1.00 0.00 N ATOM 1219 CA ARG A 76 14.826 -18.238 17.481 1.00 0.00 C ATOM 1220 C ARG A 76 16.307 -17.957 17.687 1.00 0.00 C ATOM 1221 O ARG A 76 16.926 -18.553 18.565 1.00 0.00 O ATOM 1222 CB ARG A 76 14.638 -19.446 16.564 1.00 0.00 C ATOM 1223 CG ARG A 76 13.179 -19.888 16.578 1.00 0.00 C ATOM 1224 CD ARG A 76 12.968 -21.029 15.584 1.00 0.00 C ATOM 1225 NE ARG A 76 11.569 -21.468 15.580 1.00 0.00 N ATOM 1226 CZ ARG A 76 11.067 -22.364 14.724 1.00 0.00 C ATOM 1227 NH1 ARG A 76 11.836 -22.926 13.795 1.00 0.00 N ATOM 1228 NH2 ARG A 76 9.784 -22.704 14.796 1.00 0.00 N ATOM 0 H ARG A 76 13.935 -17.173 15.910 1.00 0.00 H new ATOM 0 HA ARG A 76 14.375 -18.455 18.449 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.940 -19.192 15.548 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.278 -20.265 16.892 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.898 -20.212 17.580 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.534 -19.048 16.322 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.254 -20.703 14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.615 -21.867 15.843 1.00 0.00 H new ATOM 0 HE ARG A 76 10.939 -21.065 16.274 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.822 -22.675 13.729 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.439 -23.608 13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.183 -22.281 15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.400 -23.387 14.143 1.00 0.00 H new ATOM 1242 N ILE A 77 16.885 -17.054 16.889 1.00 0.00 N ATOM 1243 CA ILE A 77 18.286 -16.692 17.045 1.00 0.00 C ATOM 1244 C ILE A 77 18.450 -15.819 18.284 1.00 0.00 C ATOM 1245 O ILE A 77 19.455 -15.925 18.987 1.00 0.00 O ATOM 1246 CB ILE A 77 18.803 -15.929 15.812 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.416 -16.577 14.477 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.327 -15.813 15.904 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.869 -18.030 14.340 1.00 0.00 C ATOM 0 H ILE A 77 16.403 -16.566 16.134 1.00 0.00 H new ATOM 0 HA ILE A 77 18.867 -17.608 17.152 1.00 0.00 H new ATOM 0 HB ILE A 77 18.329 -14.948 15.823 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.333 -16.532 14.363 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.847 -15.994 13.663 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.704 -15.274 15.035 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.597 -15.273 16.811 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.767 -16.810 15.931 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.558 -18.418 13.370 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.955 -18.082 14.421 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.417 -18.628 15.132 1.00 0.00 H new ATOM 1261 N ALA A 78 17.471 -14.954 18.563 1.00 0.00 N ATOM 1262 CA ALA A 78 17.578 -13.990 19.643 1.00 0.00 C ATOM 1263 C ALA A 78 17.424 -14.636 21.019 1.00 0.00 C ATOM 1264 O ALA A 78 18.104 -14.231 21.961 1.00 0.00 O ATOM 1265 CB ALA A 78 16.533 -12.900 19.428 1.00 0.00 C ATOM 0 H ALA A 78 16.592 -14.908 18.047 1.00 0.00 H new ATOM 0 HA ALA A 78 18.578 -13.557 19.625 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.601 -12.167 20.232 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.712 -12.407 18.472 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.538 -13.345 19.426 1.00 0.00 H new ATOM 1271 N VAL A 79 16.546 -15.637 21.151 1.00 0.00 N ATOM 1272 CA VAL A 79 16.325 -16.279 22.440 1.00 0.00 C ATOM 1273 C VAL A 79 17.405 -17.320 22.723 1.00 0.00 C ATOM 1274 O VAL A 79 17.723 -17.574 23.884 1.00 0.00 O ATOM 1275 CB VAL A 79 14.907 -16.863 22.494 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.700 -17.961 21.451 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.631 -17.463 23.871 1.00 0.00 C ATOM 0 H VAL A 79 15.985 -16.013 20.386 1.00 0.00 H new ATOM 0 HA VAL A 79 16.403 -15.536 23.234 1.00 0.00 H new ATOM 0 HB VAL A 79 14.223 -16.040 22.287 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.683 -18.346 21.525 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.861 -17.551 20.454 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.408 -18.770 21.629 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.621 -17.873 23.893 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.350 -18.257 24.073 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.725 -16.687 24.631 1.00 0.00 H new ATOM 1287 N ASN A 80 17.978 -17.925 21.677 1.00 0.00 N ATOM 1288 CA ASN A 80 19.051 -18.893 21.860 1.00 0.00 C ATOM 1289 C ASN A 80 20.364 -18.178 22.174 1.00 0.00 C ATOM 1290 O ASN A 80 21.246 -18.756 22.803 1.00 0.00 O ATOM 1291 CB ASN A 80 19.175 -19.763 20.604 1.00 0.00 C ATOM 1292 CG ASN A 80 17.995 -20.717 20.434 1.00 0.00 C ATOM 1293 OD1 ASN A 80 17.110 -20.796 21.284 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.974 -21.449 19.327 1.00 0.00 N ATOM 0 H ASN A 80 17.716 -17.760 20.705 1.00 0.00 H new ATOM 0 HA ASN A 80 18.818 -19.539 22.706 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.248 -19.120 19.727 1.00 0.00 H new ATOM 0 HB3 ASN A 80 20.099 -20.339 20.655 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.208 -22.101 19.161 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.724 -21.359 18.642 1.00 0.00 H new ATOM 1301 N THR A 81 20.503 -16.920 21.743 1.00 0.00 N ATOM 1302 CA THR A 81 21.695 -16.136 22.037 1.00 0.00 C ATOM 1303 C THR A 81 21.623 -15.591 23.461 1.00 0.00 C ATOM 1304 O THR A 81 22.656 -15.399 24.097 1.00 0.00 O ATOM 1305 CB THR A 81 21.835 -14.998 21.018 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.959 -15.535 19.721 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.087 -14.164 21.290 1.00 0.00 C ATOM 0 H THR A 81 19.802 -16.428 21.190 1.00 0.00 H new ATOM 0 HA THR A 81 22.576 -16.774 21.961 1.00 0.00 H new ATOM 0 HB THR A 81 20.948 -14.370 21.103 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.128 -15.993 19.476 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.160 -13.365 20.552 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.026 -13.731 22.288 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.970 -14.800 21.224 1.00 0.00 H new ATOM 1315 N ALA A 82 20.414 -15.341 23.972 1.00 0.00 N ATOM 1316 CA ALA A 82 20.245 -14.790 25.308 1.00 0.00 C ATOM 1317 C ALA A 82 20.528 -15.838 26.382 1.00 0.00 C ATOM 1318 O ALA A 82 21.035 -15.506 27.452 1.00 0.00 O ATOM 1319 CB ALA A 82 18.819 -14.260 25.437 1.00 0.00 C ATOM 0 H ALA A 82 19.540 -15.514 23.475 1.00 0.00 H new ATOM 0 HA ALA A 82 20.959 -13.980 25.455 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.675 -13.843 26.434 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.650 -13.484 24.691 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.112 -15.075 25.279 1.00 0.00 H new ATOM 1325 N LYS A 83 20.208 -17.106 26.108 1.00 0.00 N ATOM 1326 CA LYS A 83 20.499 -18.183 27.045 1.00 0.00 C ATOM 1327 C LYS A 83 21.983 -18.530 26.995 1.00 0.00 C ATOM 1328 O LYS A 83 22.555 -18.936 28.009 1.00 0.00 O ATOM 1329 CB LYS A 83 19.625 -19.391 26.713 1.00 0.00 C ATOM 1330 CG LYS A 83 18.159 -19.069 27.009 1.00 0.00 C ATOM 1331 CD LYS A 83 17.267 -20.239 26.597 1.00 0.00 C ATOM 1332 CE LYS A 83 15.806 -19.947 26.943 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.593 -19.910 28.404 1.00 0.00 N ATOM 0 H LYS A 83 19.750 -17.406 25.248 1.00 0.00 H new ATOM 0 HA LYS A 83 20.270 -17.865 28.062 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.743 -19.659 25.663 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.943 -20.253 27.299 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.032 -18.862 28.072 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.861 -18.169 26.471 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.364 -20.419 25.526 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.592 -21.148 27.104 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.511 -18.992 26.507 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.166 -20.711 26.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.574 -19.948 28.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.065 -20.726 28.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.990 -19.030 28.791 1.00 0.00 H new ATOM 1347 N ASN A 84 22.611 -18.366 25.828 1.00 0.00 N ATOM 1348 CA ASN A 84 24.043 -18.583 25.686 1.00 0.00 C ATOM 1349 C ASN A 84 24.823 -17.422 26.308 1.00 0.00 C ATOM 1350 O ASN A 84 25.976 -17.587 26.701 1.00 0.00 O ATOM 1351 CB ASN A 84 24.362 -18.731 24.198 1.00 0.00 C ATOM 1352 CG ASN A 84 25.839 -19.014 23.962 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.300 -20.131 24.182 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.589 -18.013 23.519 1.00 0.00 N ATOM 0 H ASN A 84 22.143 -18.082 24.967 1.00 0.00 H new ATOM 0 HA ASN A 84 24.341 -19.491 26.211 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.765 -19.540 23.777 1.00 0.00 H new ATOM 0 HB3 ASN A 84 24.078 -17.819 23.673 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.584 -18.158 23.350 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.170 -17.099 23.348 1.00 0.00 H new