USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 583 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 28 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.28) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -118:sc= 0.927 USER MOD Single : A 42 GLN : amide:sc= -0.0668 K(o=-0.067,f=-0.77) USER MOD Single : A 47 GLN : amide:sc= -0.661 K(o=-0.66,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.049) USER MOD Single : A 69 TYR OH : rot 90:sc= 0.255 USER MOD Single : A 72 CYS SG : rot 34:sc= -2.93! USER MOD Single : A 76 GLN : amide:sc= -2.86 K(o=-2.9,f=-3.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00756 USER MOD Single : A 88 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -2.355 -9.184 -6.960 1.00 0.00 N ATOM 104 CA VAL A 11 -1.696 -9.783 -5.806 1.00 0.00 C ATOM 105 C VAL A 11 -0.680 -8.825 -5.194 1.00 0.00 C ATOM 106 O VAL A 11 -0.290 -7.837 -5.816 1.00 0.00 O ATOM 107 CB VAL A 11 -0.984 -11.095 -6.185 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.994 -12.151 -6.605 1.00 0.00 C ATOM 109 CG2 VAL A 11 0.034 -10.851 -7.288 1.00 0.00 C ATOM 0 HA VAL A 11 -2.474 -9.999 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.453 -11.464 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.471 -13.070 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.679 -12.347 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.557 -11.794 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.527 -11.789 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.472 -10.456 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.778 -10.132 -6.944 1.00 0.00 H new ATOM 119 N GLY A 12 -0.253 -9.125 -3.971 1.00 0.00 N ATOM 120 CA GLY A 12 0.714 -8.281 -3.295 1.00 0.00 C ATOM 121 C GLY A 12 2.080 -8.931 -3.191 1.00 0.00 C ATOM 122 O GLY A 12 2.285 -10.041 -3.684 1.00 0.00 O ATOM 0 H GLY A 12 -0.560 -9.938 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.805 -7.336 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.350 -8.046 -2.295 1.00 0.00 H new ATOM 126 N ASP A 13 3.014 -8.241 -2.547 1.00 0.00 N ATOM 127 CA ASP A 13 4.367 -8.758 -2.380 1.00 0.00 C ATOM 128 C ASP A 13 4.461 -9.648 -1.144 1.00 0.00 C ATOM 129 O ASP A 13 3.603 -9.595 -0.263 1.00 0.00 O ATOM 130 CB ASP A 13 5.367 -7.605 -2.269 1.00 0.00 C ATOM 131 CG ASP A 13 6.782 -8.032 -2.610 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.021 -8.416 -3.774 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.649 -7.981 -1.713 1.00 0.00 O ATOM 0 H ASP A 13 2.859 -7.322 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 13 4.610 -9.358 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.063 -6.798 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.345 -7.205 -1.255 1.00 0.00 H new ATOM 138 N ASP A 14 5.509 -10.464 -1.086 1.00 0.00 N ATOM 139 CA ASP A 14 5.714 -11.364 0.042 1.00 0.00 C ATOM 140 C ASP A 14 6.855 -10.875 0.928 1.00 0.00 C ATOM 141 O ASP A 14 7.662 -11.668 1.413 1.00 0.00 O ATOM 142 CB ASP A 14 6.009 -12.781 -0.458 1.00 0.00 C ATOM 143 CG ASP A 14 4.871 -13.352 -1.280 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.086 -12.559 -1.839 1.00 0.00 O ATOM 145 OD2 ASP A 14 4.766 -14.594 -1.366 1.00 0.00 O ATOM 0 H ASP A 14 6.229 -10.520 -1.807 1.00 0.00 H new ATOM 0 HA ASP A 14 4.800 -11.379 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.918 -12.769 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.200 -13.432 0.395 1.00 0.00 H new ATOM 150 N PHE A 15 6.917 -9.564 1.134 1.00 0.00 N ATOM 151 CA PHE A 15 7.959 -8.969 1.962 1.00 0.00 C ATOM 152 C PHE A 15 7.573 -7.558 2.394 1.00 0.00 C ATOM 153 O PHE A 15 7.550 -6.634 1.580 1.00 0.00 O ATOM 154 CB PHE A 15 9.288 -8.939 1.202 1.00 0.00 C ATOM 155 CG PHE A 15 10.468 -9.341 2.040 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.722 -8.713 3.250 1.00 0.00 C ATOM 157 CD2 PHE A 15 11.323 -10.346 1.618 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.807 -9.081 4.022 1.00 0.00 C ATOM 159 CE2 PHE A 15 12.410 -10.718 2.386 1.00 0.00 C ATOM 160 CZ PHE A 15 12.652 -10.085 3.590 1.00 0.00 C ATOM 0 H PHE A 15 6.258 -8.893 0.739 1.00 0.00 H new ATOM 0 HA PHE A 15 8.073 -9.583 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.220 -9.605 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.453 -7.934 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.064 -7.928 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.138 -10.845 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.994 -8.584 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.069 -11.503 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.500 -10.375 4.192 1.00 0.00 H new ATOM 170 N LEU A 16 7.271 -7.399 3.678 1.00 0.00 N ATOM 171 CA LEU A 16 6.885 -6.100 4.219 1.00 0.00 C ATOM 172 C LEU A 16 8.041 -5.109 4.126 1.00 0.00 C ATOM 173 O LEU A 16 9.103 -5.427 3.592 1.00 0.00 O ATOM 174 CB LEU A 16 6.434 -6.243 5.674 1.00 0.00 C ATOM 175 CG LEU A 16 4.940 -6.512 5.864 1.00 0.00 C ATOM 176 CD1 LEU A 16 4.697 -7.294 7.145 1.00 0.00 C ATOM 177 CD2 LEU A 16 4.163 -5.205 5.880 1.00 0.00 C ATOM 0 H LEU A 16 7.286 -8.154 4.364 1.00 0.00 H new ATOM 0 HA LEU A 16 6.054 -5.718 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.996 -7.056 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.695 -5.331 6.211 1.00 0.00 H new ATOM 0 HG LEU A 16 4.588 -7.112 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.629 -7.476 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.224 -8.247 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.064 -6.721 7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.102 -5.414 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.518 -4.581 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.312 -4.682 4.935 1.00 0.00 H new ATOM 189 N GLY A 17 7.826 -3.907 4.652 1.00 0.00 N ATOM 190 CA GLY A 17 8.858 -2.887 4.619 1.00 0.00 C ATOM 191 C GLY A 17 9.120 -2.277 5.984 1.00 0.00 C ATOM 192 O GLY A 17 9.658 -1.174 6.082 1.00 0.00 O ATOM 0 H GLY A 17 6.956 -3.621 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.781 -3.322 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.564 -2.100 3.924 1.00 0.00 H new ATOM 196 N ASP A 18 8.741 -2.994 7.037 1.00 0.00 N ATOM 197 CA ASP A 18 8.939 -2.515 8.401 1.00 0.00 C ATOM 198 C ASP A 18 8.285 -1.151 8.603 1.00 0.00 C ATOM 199 O ASP A 18 8.756 -0.337 9.397 1.00 0.00 O ATOM 200 CB ASP A 18 10.435 -2.431 8.721 1.00 0.00 C ATOM 201 CG ASP A 18 10.785 -3.113 10.028 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.130 -2.813 11.049 1.00 0.00 O ATOM 203 OD2 ASP A 18 11.714 -3.948 10.032 1.00 0.00 O ATOM 0 H ASP A 18 8.295 -3.909 6.972 1.00 0.00 H new ATOM 0 HA ASP A 18 8.467 -3.225 9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.003 -2.889 7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.735 -1.384 8.769 1.00 0.00 H new ATOM 208 N PHE A 19 7.198 -0.908 7.879 1.00 0.00 N ATOM 209 CA PHE A 19 6.480 0.357 7.978 1.00 0.00 C ATOM 210 C PHE A 19 5.513 0.345 9.159 1.00 0.00 C ATOM 211 O PHE A 19 5.158 -0.717 9.672 1.00 0.00 O ATOM 212 CB PHE A 19 5.717 0.638 6.683 1.00 0.00 C ATOM 213 CG PHE A 19 6.607 0.994 5.527 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.053 2.294 5.354 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.000 0.028 4.615 1.00 0.00 C ATOM 216 CE1 PHE A 19 7.873 2.625 4.292 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.820 0.352 3.550 1.00 0.00 C ATOM 218 CZ PHE A 19 8.257 1.652 3.389 1.00 0.00 C ATOM 0 H PHE A 19 6.795 -1.571 7.217 1.00 0.00 H new ATOM 0 HA PHE A 19 7.212 1.148 8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.128 -0.241 6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.014 1.453 6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.756 3.058 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.662 -0.990 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.213 3.642 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.118 -0.410 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.898 1.908 2.558 1.00 0.00 H new ATOM 228 N VAL A 20 5.092 1.531 9.584 1.00 0.00 N ATOM 229 CA VAL A 20 4.167 1.658 10.704 1.00 0.00 C ATOM 230 C VAL A 20 2.921 2.438 10.301 1.00 0.00 C ATOM 231 O VAL A 20 2.790 2.869 9.156 1.00 0.00 O ATOM 232 CB VAL A 20 4.830 2.358 11.905 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.932 1.488 12.490 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.375 3.718 11.496 1.00 0.00 C ATOM 0 H VAL A 20 5.377 2.419 9.170 1.00 0.00 H new ATOM 0 HA VAL A 20 3.882 0.647 10.995 1.00 0.00 H new ATOM 0 HB VAL A 20 4.074 2.512 12.675 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.388 2.000 13.337 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.509 0.540 12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.689 1.300 11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.840 4.198 12.357 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.117 3.591 10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.560 4.342 11.130 1.00 0.00 H new ATOM 244 N VAL A 21 2.007 2.617 11.251 1.00 0.00 N ATOM 245 CA VAL A 21 0.772 3.346 10.995 1.00 0.00 C ATOM 246 C VAL A 21 0.853 4.769 11.534 1.00 0.00 C ATOM 247 O VAL A 21 1.061 4.980 12.729 1.00 0.00 O ATOM 248 CB VAL A 21 -0.441 2.637 11.628 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.737 3.300 11.188 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.441 1.159 11.270 1.00 0.00 C ATOM 0 H VAL A 21 2.100 2.267 12.204 1.00 0.00 H new ATOM 0 HA VAL A 21 0.641 3.377 9.913 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.366 2.725 12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.582 2.786 11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.736 4.344 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.823 3.246 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.305 0.674 11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.491 1.047 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.473 0.695 11.641 1.00 0.00 H new ATOM 260 N GLY A 22 0.686 5.744 10.646 1.00 0.00 N ATOM 261 CA GLY A 22 0.744 7.136 11.052 1.00 0.00 C ATOM 262 C GLY A 22 1.955 7.855 10.490 1.00 0.00 C ATOM 263 O GLY A 22 2.471 8.788 11.104 1.00 0.00 O ATOM 0 H GLY A 22 0.511 5.595 9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.162 7.645 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.764 7.193 12.140 1.00 0.00 H new ATOM 267 N GLU A 23 2.410 7.418 9.320 1.00 0.00 N ATOM 268 CA GLU A 23 3.569 8.025 8.676 1.00 0.00 C ATOM 269 C GLU A 23 3.310 8.248 7.189 1.00 0.00 C ATOM 270 O GLU A 23 2.532 7.524 6.568 1.00 0.00 O ATOM 271 CB GLU A 23 4.804 7.143 8.863 1.00 0.00 C ATOM 272 CG GLU A 23 4.631 5.731 8.330 1.00 0.00 C ATOM 273 CD GLU A 23 5.939 5.113 7.878 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.768 5.842 7.294 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.133 3.900 8.105 1.00 0.00 O ATOM 0 H GLU A 23 1.994 6.646 8.799 1.00 0.00 H new ATOM 0 HA GLU A 23 3.748 8.992 9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.652 7.610 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.048 7.094 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.187 5.106 9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.932 5.746 7.493 1.00 0.00 H new ATOM 282 N ARG A 24 3.966 9.256 6.624 1.00 0.00 N ATOM 283 CA ARG A 24 3.807 9.575 5.209 1.00 0.00 C ATOM 284 C ARG A 24 4.810 8.800 4.361 1.00 0.00 C ATOM 285 O ARG A 24 5.991 9.145 4.307 1.00 0.00 O ATOM 286 CB ARG A 24 3.977 11.080 4.983 1.00 0.00 C ATOM 287 CG ARG A 24 2.721 11.762 4.463 1.00 0.00 C ATOM 288 CD ARG A 24 1.998 12.521 5.566 1.00 0.00 C ATOM 289 NE ARG A 24 2.104 13.967 5.395 1.00 0.00 N ATOM 290 CZ ARG A 24 1.877 14.848 6.368 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.529 14.432 7.579 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.996 16.146 6.128 1.00 0.00 N ATOM 0 H ARG A 24 4.613 9.866 7.124 1.00 0.00 H new ATOM 0 HA ARG A 24 2.802 9.282 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.273 11.549 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.789 11.243 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.986 12.450 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.052 11.016 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.947 12.233 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.414 12.239 6.533 1.00 0.00 H new ATOM 0 HE ARG A 24 2.367 14.324 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.434 13.434 7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.356 15.110 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.261 16.470 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.822 16.820 6.873 1.00 0.00 H new ATOM 306 N VAL A 25 4.332 7.750 3.701 1.00 0.00 N ATOM 307 CA VAL A 25 5.187 6.926 2.855 1.00 0.00 C ATOM 308 C VAL A 25 4.934 7.206 1.378 1.00 0.00 C ATOM 309 O VAL A 25 3.791 7.379 0.956 1.00 0.00 O ATOM 310 CB VAL A 25 4.967 5.426 3.126 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.408 5.066 4.536 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.509 5.052 2.904 1.00 0.00 C ATOM 0 H VAL A 25 3.358 7.450 3.736 1.00 0.00 H new ATOM 0 HA VAL A 25 6.217 7.185 3.100 1.00 0.00 H new ATOM 0 HB VAL A 25 5.576 4.856 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.244 4.002 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.467 5.294 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.829 5.643 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.372 3.989 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.878 5.630 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.231 5.270 1.873 1.00 0.00 H new ATOM 322 N TRP A 26 6.008 7.249 0.596 1.00 0.00 N ATOM 323 CA TRP A 26 5.900 7.508 -0.835 1.00 0.00 C ATOM 324 C TRP A 26 5.452 6.256 -1.583 1.00 0.00 C ATOM 325 O TRP A 26 6.144 5.238 -1.580 1.00 0.00 O ATOM 326 CB TRP A 26 7.242 7.993 -1.389 1.00 0.00 C ATOM 327 CG TRP A 26 7.421 9.478 -1.293 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.482 10.365 -2.330 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.565 10.249 -0.096 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.654 11.641 -1.850 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.708 11.595 -0.481 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.586 9.932 1.266 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.870 12.622 0.446 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.746 10.953 2.184 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.885 12.284 1.771 1.00 0.00 C ATOM 0 H TRP A 26 6.962 7.108 0.929 1.00 0.00 H new ATOM 0 HA TRP A 26 5.150 8.285 -0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.050 7.501 -0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.327 7.690 -2.433 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.406 10.102 -3.375 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.729 12.484 -2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.479 8.909 1.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.980 13.649 0.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.764 10.720 3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.006 13.059 2.514 1.00 0.00 H new ATOM 346 N VAL A 27 4.289 6.339 -2.221 1.00 0.00 N ATOM 347 CA VAL A 27 3.748 5.213 -2.972 1.00 0.00 C ATOM 348 C VAL A 27 4.372 5.127 -4.360 1.00 0.00 C ATOM 349 O VAL A 27 4.051 5.919 -5.246 1.00 0.00 O ATOM 350 CB VAL A 27 2.218 5.317 -3.116 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.650 4.043 -3.722 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.574 5.608 -1.768 1.00 0.00 C ATOM 0 H VAL A 27 3.704 7.174 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 27 3.993 4.312 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 27 1.990 6.144 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.568 4.136 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.087 3.882 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.887 3.196 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.493 5.678 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.810 4.804 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.957 6.551 -1.378 1.00 0.00 H new ATOM 362 N ASN A 28 5.264 4.159 -4.543 1.00 0.00 N ATOM 363 CA ASN A 28 5.935 3.969 -5.824 1.00 0.00 C ATOM 364 C ASN A 28 6.718 5.216 -6.221 1.00 0.00 C ATOM 365 O ASN A 28 6.827 5.543 -7.403 1.00 0.00 O ATOM 366 CB ASN A 28 4.913 3.627 -6.911 1.00 0.00 C ATOM 367 CG ASN A 28 4.440 2.189 -6.827 1.00 0.00 C ATOM 368 OD1 ASN A 28 3.559 1.859 -6.034 1.00 0.00 O ATOM 369 ND2 ASN A 28 5.026 1.325 -7.648 1.00 0.00 N ATOM 0 H ASN A 28 5.539 3.494 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 28 6.637 3.141 -5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.056 4.294 -6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.356 3.804 -7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.750 0.343 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.752 1.643 -8.289 1.00 0.00 H new ATOM 376 N GLY A 29 7.261 5.909 -5.226 1.00 0.00 N ATOM 377 CA GLY A 29 8.026 7.113 -5.492 1.00 0.00 C ATOM 378 C GLY A 29 7.213 8.172 -6.210 1.00 0.00 C ATOM 379 O GLY A 29 7.764 8.998 -6.938 1.00 0.00 O ATOM 0 H GLY A 29 7.185 5.658 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.396 7.520 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.898 6.859 -6.094 1.00 0.00 H new ATOM 383 N VAL A 30 5.901 8.148 -6.006 1.00 0.00 N ATOM 384 CA VAL A 30 5.011 9.113 -6.639 1.00 0.00 C ATOM 385 C VAL A 30 4.659 10.246 -5.681 1.00 0.00 C ATOM 386 O VAL A 30 4.907 11.417 -5.968 1.00 0.00 O ATOM 387 CB VAL A 30 3.711 8.446 -7.128 1.00 0.00 C ATOM 388 CG1 VAL A 30 2.868 9.432 -7.922 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.023 7.210 -7.960 1.00 0.00 C ATOM 0 H VAL A 30 5.430 7.470 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 30 5.546 9.519 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 30 3.137 8.133 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.955 8.941 -8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.612 10.283 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.433 9.779 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.092 6.753 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.620 7.496 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.580 6.495 -7.355 1.00 0.00 H new ATOM 399 N LYS A 31 4.079 9.888 -4.539 1.00 0.00 N ATOM 400 CA LYS A 31 3.692 10.874 -3.536 1.00 0.00 C ATOM 401 C LYS A 31 3.519 10.220 -2.168 1.00 0.00 C ATOM 402 O LYS A 31 3.129 9.056 -2.073 1.00 0.00 O ATOM 403 CB LYS A 31 2.395 11.571 -3.950 1.00 0.00 C ATOM 404 CG LYS A 31 2.581 12.600 -5.053 1.00 0.00 C ATOM 405 CD LYS A 31 1.623 13.769 -4.892 1.00 0.00 C ATOM 406 CE LYS A 31 1.199 14.331 -6.240 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.202 14.835 -6.216 1.00 0.00 N ATOM 0 H LYS A 31 3.867 8.923 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 31 4.488 11.616 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.679 10.820 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.961 12.060 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.608 12.966 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.421 12.128 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.742 13.445 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.099 14.553 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.871 15.141 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.293 13.557 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.452 15.210 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.847 14.057 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.287 15.591 -5.507 1.00 0.00 H new ATOM 421 N PRO A 32 3.806 10.963 -1.085 1.00 0.00 N ATOM 422 CA PRO A 32 3.679 10.447 0.281 1.00 0.00 C ATOM 423 C PRO A 32 2.224 10.261 0.697 1.00 0.00 C ATOM 424 O PRO A 32 1.340 10.988 0.243 1.00 0.00 O ATOM 425 CB PRO A 32 4.344 11.531 1.132 1.00 0.00 C ATOM 426 CG PRO A 32 4.199 12.780 0.334 1.00 0.00 C ATOM 427 CD PRO A 32 4.277 12.360 -1.109 1.00 0.00 C ATOM 0 HA PRO A 32 4.133 9.462 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.860 11.624 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.393 11.300 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.250 13.271 0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.988 13.492 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.649 12.985 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.294 12.435 -1.495 1.00 0.00 H new ATOM 435 N GLY A 33 1.983 9.283 1.564 1.00 0.00 N ATOM 436 CA GLY A 33 0.632 9.019 2.027 1.00 0.00 C ATOM 437 C GLY A 33 0.601 8.464 3.438 1.00 0.00 C ATOM 438 O GLY A 33 1.530 7.776 3.862 1.00 0.00 O ATOM 0 H GLY A 33 2.698 8.669 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.052 9.941 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.151 8.312 1.351 1.00 0.00 H new ATOM 442 N VAL A 34 -0.469 8.763 4.165 1.00 0.00 N ATOM 443 CA VAL A 34 -0.619 8.290 5.537 1.00 0.00 C ATOM 444 C VAL A 34 -0.962 6.804 5.572 1.00 0.00 C ATOM 445 O VAL A 34 -1.957 6.373 4.989 1.00 0.00 O ATOM 446 CB VAL A 34 -1.711 9.075 6.286 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.715 8.709 7.762 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.516 10.572 6.101 1.00 0.00 C ATOM 0 H VAL A 34 -1.246 9.331 3.828 1.00 0.00 H new ATOM 0 HA VAL A 34 0.338 8.451 6.033 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.679 8.804 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.493 9.274 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.909 7.642 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.745 8.948 8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.298 11.110 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.541 10.863 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.569 10.818 5.040 1.00 0.00 H new ATOM 458 N VAL A 35 -0.132 6.027 6.259 1.00 0.00 N ATOM 459 CA VAL A 35 -0.348 4.589 6.370 1.00 0.00 C ATOM 460 C VAL A 35 -1.419 4.273 7.409 1.00 0.00 C ATOM 461 O VAL A 35 -1.328 4.703 8.559 1.00 0.00 O ATOM 462 CB VAL A 35 0.951 3.854 6.750 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.757 2.348 6.663 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.099 4.304 5.860 1.00 0.00 C ATOM 0 H VAL A 35 0.696 6.368 6.747 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.680 4.242 5.391 1.00 0.00 H new ATOM 0 HB VAL A 35 1.201 4.106 7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.685 1.845 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.035 2.043 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.481 2.075 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.008 3.774 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.860 4.084 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.252 5.377 5.979 1.00 0.00 H new ATOM 474 N GLN A 36 -2.434 3.521 6.995 1.00 0.00 N ATOM 475 CA GLN A 36 -3.524 3.149 7.890 1.00 0.00 C ATOM 476 C GLN A 36 -3.582 1.636 8.075 1.00 0.00 C ATOM 477 O GLN A 36 -3.818 1.145 9.179 1.00 0.00 O ATOM 478 CB GLN A 36 -4.859 3.661 7.343 1.00 0.00 C ATOM 479 CG GLN A 36 -5.295 4.986 7.948 1.00 0.00 C ATOM 480 CD GLN A 36 -5.648 4.866 9.418 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.789 4.573 9.773 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.665 5.093 10.282 1.00 0.00 N ATOM 0 H GLN A 36 -2.524 3.158 6.046 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.338 3.609 8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.780 3.773 6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.630 2.914 7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.495 5.717 7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.158 5.365 7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.733 5.333 9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.842 5.027 11.284 1.00 0.00 H new ATOM 491 N TYR A 37 -3.367 0.903 6.987 1.00 0.00 N ATOM 492 CA TYR A 37 -3.396 -0.555 7.031 1.00 0.00 C ATOM 493 C TYR A 37 -2.019 -1.136 6.726 1.00 0.00 C ATOM 494 O TYR A 37 -1.281 -0.606 5.895 1.00 0.00 O ATOM 495 CB TYR A 37 -4.424 -1.094 6.033 1.00 0.00 C ATOM 496 CG TYR A 37 -5.194 -2.290 6.544 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.319 -2.126 7.344 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.798 -3.584 6.229 1.00 0.00 C ATOM 499 CE1 TYR A 37 -7.026 -3.217 7.814 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.500 -4.680 6.694 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.613 -4.490 7.486 1.00 0.00 C ATOM 502 OH TYR A 37 -7.314 -5.578 7.952 1.00 0.00 O ATOM 0 H TYR A 37 -3.171 1.294 6.065 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.683 -0.859 8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.127 -0.299 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.913 -1.369 5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.646 -1.130 7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.926 -3.736 5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.898 -3.072 8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.179 -5.679 6.439 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.892 -6.402 7.629 1.00 0.00 H new ATOM 512 N LEU A 38 -1.681 -2.228 7.402 1.00 0.00 N ATOM 513 CA LEU A 38 -0.393 -2.883 7.204 1.00 0.00 C ATOM 514 C LEU A 38 -0.483 -4.371 7.529 1.00 0.00 C ATOM 515 O LEU A 38 -0.779 -4.752 8.661 1.00 0.00 O ATOM 516 CB LEU A 38 0.678 -2.223 8.076 1.00 0.00 C ATOM 517 CG LEU A 38 1.045 -0.792 7.679 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.914 -0.149 8.748 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.755 -0.780 6.333 1.00 0.00 C ATOM 0 H LEU A 38 -2.281 -2.679 8.093 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.116 -2.775 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.332 -2.220 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.579 -2.835 8.044 1.00 0.00 H new ATOM 0 HG LEU A 38 0.127 -0.212 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.166 0.869 8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.371 -0.126 9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.829 -0.728 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.009 0.245 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.666 -1.375 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.099 -1.202 5.572 1.00 0.00 H new ATOM 531 N GLY A 39 -0.225 -5.205 6.528 1.00 0.00 N ATOM 532 CA GLY A 39 -0.282 -6.641 6.726 1.00 0.00 C ATOM 533 C GLY A 39 -0.699 -7.385 5.472 1.00 0.00 C ATOM 534 O GLY A 39 0.142 -7.749 4.650 1.00 0.00 O ATOM 0 H GLY A 39 0.023 -4.912 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.696 -6.999 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.984 -6.866 7.528 1.00 0.00 H new ATOM 538 N GLU A 40 -2.000 -7.610 5.326 1.00 0.00 N ATOM 539 CA GLU A 40 -2.528 -8.315 4.164 1.00 0.00 C ATOM 540 C GLU A 40 -3.947 -7.854 3.845 1.00 0.00 C ATOM 541 O GLU A 40 -4.572 -7.147 4.635 1.00 0.00 O ATOM 542 CB GLU A 40 -2.513 -9.826 4.407 1.00 0.00 C ATOM 543 CG GLU A 40 -1.162 -10.471 4.144 1.00 0.00 C ATOM 544 CD GLU A 40 -1.275 -11.947 3.815 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.257 -12.768 4.757 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.383 -12.282 2.618 1.00 0.00 O ATOM 0 H GLU A 40 -2.708 -7.314 5.998 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.890 -8.085 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.806 -10.023 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.261 -10.296 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.672 -9.955 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.527 -10.345 5.021 1.00 0.00 H new ATOM 553 N THR A 41 -4.448 -8.259 2.682 1.00 0.00 N ATOM 554 CA THR A 41 -5.793 -7.888 2.259 1.00 0.00 C ATOM 555 C THR A 41 -6.683 -9.120 2.134 1.00 0.00 C ATOM 556 O THR A 41 -6.253 -10.240 2.405 1.00 0.00 O ATOM 557 CB THR A 41 -5.743 -7.144 0.924 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.974 -7.864 -0.023 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.151 -5.755 1.036 1.00 0.00 C ATOM 0 H THR A 41 -3.943 -8.844 2.016 1.00 0.00 H new ATOM 0 HA THR A 41 -6.217 -7.231 3.018 1.00 0.00 H new ATOM 0 HB THR A 41 -6.781 -7.055 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.197 -7.329 -0.289 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.145 -5.282 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.751 -5.158 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.130 -5.824 1.412 1.00 0.00 H new ATOM 567 N GLN A 42 -7.929 -8.905 1.721 1.00 0.00 N ATOM 568 CA GLN A 42 -8.880 -9.998 1.559 1.00 0.00 C ATOM 569 C GLN A 42 -9.182 -10.243 0.085 1.00 0.00 C ATOM 570 O GLN A 42 -9.409 -11.379 -0.332 1.00 0.00 O ATOM 571 CB GLN A 42 -10.176 -9.689 2.313 1.00 0.00 C ATOM 572 CG GLN A 42 -10.173 -10.175 3.752 1.00 0.00 C ATOM 573 CD GLN A 42 -10.573 -11.631 3.878 1.00 0.00 C ATOM 574 OE1 GLN A 42 -11.493 -12.094 3.203 1.00 0.00 O ATOM 575 NE2 GLN A 42 -9.883 -12.363 4.744 1.00 0.00 N ATOM 0 H GLN A 42 -8.303 -7.984 1.493 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.432 -10.901 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.345 -8.612 2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.012 -10.148 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.178 -10.038 4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.857 -9.562 4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.128 -11.939 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.108 -13.350 4.870 1.00 0.00 H new ATOM 584 N PHE A 43 -9.185 -9.171 -0.701 1.00 0.00 N ATOM 585 CA PHE A 43 -9.458 -9.272 -2.130 1.00 0.00 C ATOM 586 C PHE A 43 -8.419 -10.146 -2.824 1.00 0.00 C ATOM 587 O PHE A 43 -8.719 -10.821 -3.808 1.00 0.00 O ATOM 588 CB PHE A 43 -9.479 -7.880 -2.765 1.00 0.00 C ATOM 589 CG PHE A 43 -8.169 -7.153 -2.659 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.116 -7.468 -3.504 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.991 -6.153 -1.716 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.910 -6.800 -3.409 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.787 -5.482 -1.617 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.745 -5.806 -2.464 1.00 0.00 C ATOM 0 H PHE A 43 -9.002 -8.223 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.436 -9.736 -2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.750 -7.973 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.256 -7.283 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.240 -8.244 -4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.802 -5.895 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.097 -7.055 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.661 -4.705 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.803 -5.283 -2.388 1.00 0.00 H new ATOM 604 N ALA A 44 -7.196 -10.127 -2.304 1.00 0.00 N ATOM 605 CA ALA A 44 -6.112 -10.918 -2.873 1.00 0.00 C ATOM 606 C ALA A 44 -5.052 -11.234 -1.822 1.00 0.00 C ATOM 607 O ALA A 44 -4.852 -10.468 -0.880 1.00 0.00 O ATOM 608 CB ALA A 44 -5.487 -10.185 -4.051 1.00 0.00 C ATOM 0 H ALA A 44 -6.931 -9.573 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.530 -11.861 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.679 -10.787 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.244 -10.015 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.090 -9.227 -3.714 1.00 0.00 H new ATOM 614 N PRO A 45 -4.354 -12.374 -1.971 1.00 0.00 N ATOM 615 CA PRO A 45 -3.311 -12.789 -1.028 1.00 0.00 C ATOM 616 C PRO A 45 -2.070 -11.907 -1.113 1.00 0.00 C ATOM 617 O PRO A 45 -2.037 -10.937 -1.871 1.00 0.00 O ATOM 618 CB PRO A 45 -2.981 -14.217 -1.467 1.00 0.00 C ATOM 619 CG PRO A 45 -3.348 -14.264 -2.910 1.00 0.00 C ATOM 620 CD PRO A 45 -4.529 -13.346 -3.067 1.00 0.00 C ATOM 0 HA PRO A 45 -3.645 -12.714 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.925 -14.442 -1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.547 -14.949 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.516 -13.940 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.600 -15.279 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.531 -12.857 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.472 -13.886 -2.979 1.00 0.00 H new ATOM 628 N GLY A 46 -1.051 -12.248 -0.332 1.00 0.00 N ATOM 629 CA GLY A 46 0.177 -11.477 -0.334 1.00 0.00 C ATOM 630 C GLY A 46 0.120 -10.291 0.608 1.00 0.00 C ATOM 631 O GLY A 46 -0.953 -9.917 1.082 1.00 0.00 O ATOM 0 H GLY A 46 -1.054 -13.046 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.008 -12.123 -0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.379 -11.124 -1.345 1.00 0.00 H new ATOM 635 N GLN A 47 1.279 -9.698 0.880 1.00 0.00 N ATOM 636 CA GLN A 47 1.357 -8.547 1.772 1.00 0.00 C ATOM 637 C GLN A 47 0.819 -7.293 1.091 1.00 0.00 C ATOM 638 O GLN A 47 1.064 -7.064 -0.093 1.00 0.00 O ATOM 639 CB GLN A 47 2.802 -8.318 2.220 1.00 0.00 C ATOM 640 CG GLN A 47 3.433 -9.533 2.880 1.00 0.00 C ATOM 641 CD GLN A 47 3.131 -9.611 4.364 1.00 0.00 C ATOM 642 OE1 GLN A 47 2.813 -8.605 4.999 1.00 0.00 O ATOM 643 NE2 GLN A 47 3.229 -10.811 4.925 1.00 0.00 N ATOM 0 H GLN A 47 2.176 -9.996 0.496 1.00 0.00 H new ATOM 0 HA GLN A 47 0.742 -8.756 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.401 -8.032 1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.829 -7.481 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.071 -10.437 2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.513 -9.502 2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.496 -11.618 4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.037 -10.926 5.920 1.00 0.00 H new ATOM 652 N TRP A 48 0.084 -6.484 1.848 1.00 0.00 N ATOM 653 CA TRP A 48 -0.489 -5.253 1.316 1.00 0.00 C ATOM 654 C TRP A 48 -0.327 -4.105 2.307 1.00 0.00 C ATOM 655 O TRP A 48 0.003 -4.321 3.474 1.00 0.00 O ATOM 656 CB TRP A 48 -1.971 -5.454 0.990 1.00 0.00 C ATOM 657 CG TRP A 48 -2.201 -6.120 -0.332 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.313 -7.459 -0.566 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.348 -5.476 -1.603 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.521 -7.690 -1.904 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.546 -6.487 -2.562 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.332 -4.143 -2.024 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.727 -6.207 -3.914 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.511 -3.866 -3.366 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.707 -4.893 -4.297 1.00 0.00 C ATOM 0 H TRP A 48 -0.128 -6.659 2.830 1.00 0.00 H new ATOM 0 HA TRP A 48 0.046 -4.999 0.401 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.431 -6.053 1.776 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.471 -4.486 0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.248 -8.226 0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.638 -8.606 -2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.182 -3.344 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.878 -6.998 -4.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.499 -2.840 -3.702 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.845 -4.643 -5.339 1.00 0.00 H new ATOM 676 N ALA A 49 -0.560 -2.885 1.836 1.00 0.00 N ATOM 677 CA ALA A 49 -0.440 -1.704 2.681 1.00 0.00 C ATOM 678 C ALA A 49 -1.494 -0.661 2.321 1.00 0.00 C ATOM 679 O ALA A 49 -1.558 -0.197 1.183 1.00 0.00 O ATOM 680 CB ALA A 49 0.954 -1.109 2.561 1.00 0.00 C ATOM 0 H ALA A 49 -0.833 -2.689 0.873 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.606 -2.009 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.029 -0.227 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.693 -1.847 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.141 -0.826 1.525 1.00 0.00 H new ATOM 686 N GLY A 50 -2.318 -0.299 3.298 1.00 0.00 N ATOM 687 CA GLY A 50 -3.358 0.686 3.064 1.00 0.00 C ATOM 688 C GLY A 50 -2.883 2.103 3.320 1.00 0.00 C ATOM 689 O GLY A 50 -2.998 2.611 4.435 1.00 0.00 O ATOM 0 H GLY A 50 -2.285 -0.670 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.707 0.604 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.210 0.470 3.708 1.00 0.00 H new ATOM 693 N VAL A 51 -2.349 2.742 2.285 1.00 0.00 N ATOM 694 CA VAL A 51 -1.854 4.108 2.402 1.00 0.00 C ATOM 695 C VAL A 51 -2.901 5.113 1.937 1.00 0.00 C ATOM 696 O VAL A 51 -3.662 4.847 1.006 1.00 0.00 O ATOM 697 CB VAL A 51 -0.565 4.311 1.585 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.045 5.674 1.876 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.432 3.200 1.877 1.00 0.00 C ATOM 0 H VAL A 51 -2.248 2.335 1.355 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.636 4.276 3.457 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.819 4.272 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.955 5.798 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.667 6.455 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.285 5.746 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.337 3.360 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.681 3.205 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.007 2.238 1.612 1.00 0.00 H new ATOM 709 N VAL A 52 -2.934 6.271 2.589 1.00 0.00 N ATOM 710 CA VAL A 52 -3.887 7.318 2.242 1.00 0.00 C ATOM 711 C VAL A 52 -3.179 8.528 1.642 1.00 0.00 C ATOM 712 O VAL A 52 -2.392 9.194 2.315 1.00 0.00 O ATOM 713 CB VAL A 52 -4.701 7.770 3.470 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.799 8.739 3.060 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.287 6.567 4.197 1.00 0.00 C ATOM 0 H VAL A 52 -2.311 6.508 3.361 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.567 6.893 1.503 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.029 8.288 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.362 9.046 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.354 9.616 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.470 8.251 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.858 6.907 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.943 6.018 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.480 5.914 4.530 1.00 0.00 H new ATOM 725 N LEU A 53 -3.463 8.806 0.375 1.00 0.00 N ATOM 726 CA LEU A 53 -2.852 9.936 -0.316 1.00 0.00 C ATOM 727 C LEU A 53 -3.516 11.247 0.093 1.00 0.00 C ATOM 728 O LEU A 53 -4.742 11.333 0.177 1.00 0.00 O ATOM 729 CB LEU A 53 -2.955 9.751 -1.831 1.00 0.00 C ATOM 730 CG LEU A 53 -2.241 8.516 -2.382 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.901 8.048 -3.669 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.767 8.812 -2.614 1.00 0.00 C ATOM 0 H LEU A 53 -4.113 8.264 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.800 9.977 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.009 9.695 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.546 10.636 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.319 7.716 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.379 7.168 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.943 7.796 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.854 8.844 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.275 7.922 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.668 9.627 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.301 9.099 -1.671 1.00 0.00 H new ATOM 744 N ASP A 54 -2.700 12.264 0.349 1.00 0.00 N ATOM 745 CA ASP A 54 -3.209 13.570 0.749 1.00 0.00 C ATOM 746 C ASP A 54 -4.065 14.182 -0.354 1.00 0.00 C ATOM 747 O ASP A 54 -5.013 14.919 -0.082 1.00 0.00 O ATOM 748 CB ASP A 54 -2.050 14.508 1.092 1.00 0.00 C ATOM 749 CG ASP A 54 -2.374 15.426 2.255 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.589 14.913 3.374 1.00 0.00 O ATOM 751 OD2 ASP A 54 -2.413 16.657 2.048 1.00 0.00 O ATOM 0 H ASP A 54 -1.683 12.209 0.286 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.832 13.435 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.167 13.917 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.801 15.108 0.217 1.00 0.00 H new ATOM 756 N ASP A 55 -3.724 13.873 -1.602 1.00 0.00 N ATOM 757 CA ASP A 55 -4.462 14.393 -2.747 1.00 0.00 C ATOM 758 C ASP A 55 -5.334 13.306 -3.371 1.00 0.00 C ATOM 759 O ASP A 55 -5.039 12.116 -3.253 1.00 0.00 O ATOM 760 CB ASP A 55 -3.494 14.949 -3.792 1.00 0.00 C ATOM 761 CG ASP A 55 -2.548 15.983 -3.213 1.00 0.00 C ATOM 762 OD1 ASP A 55 -2.938 17.167 -3.134 1.00 0.00 O ATOM 763 OD2 ASP A 55 -1.418 15.608 -2.838 1.00 0.00 O ATOM 0 H ASP A 55 -2.942 13.265 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.110 15.197 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.915 14.130 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.062 15.397 -4.607 1.00 0.00 H new ATOM 768 N PRO A 56 -6.427 13.702 -4.047 1.00 0.00 N ATOM 769 CA PRO A 56 -7.343 12.755 -4.691 1.00 0.00 C ATOM 770 C PRO A 56 -6.710 12.065 -5.896 1.00 0.00 C ATOM 771 O PRO A 56 -7.159 12.233 -7.029 1.00 0.00 O ATOM 772 CB PRO A 56 -8.514 13.636 -5.132 1.00 0.00 C ATOM 773 CG PRO A 56 -7.931 14.998 -5.279 1.00 0.00 C ATOM 774 CD PRO A 56 -6.853 15.102 -4.236 1.00 0.00 C ATOM 0 HA PRO A 56 -7.631 11.946 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.941 13.285 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.316 13.627 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.522 15.141 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.691 15.766 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.029 15.732 -4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.230 15.536 -3.310 1.00 0.00 H new ATOM 782 N VAL A 57 -5.663 11.287 -5.640 1.00 0.00 N ATOM 783 CA VAL A 57 -4.967 10.571 -6.702 1.00 0.00 C ATOM 784 C VAL A 57 -4.770 9.103 -6.338 1.00 0.00 C ATOM 785 O VAL A 57 -3.794 8.476 -6.750 1.00 0.00 O ATOM 786 CB VAL A 57 -3.594 11.202 -7.000 1.00 0.00 C ATOM 787 CG1 VAL A 57 -3.759 12.523 -7.734 1.00 0.00 C ATOM 788 CG2 VAL A 57 -2.804 11.394 -5.714 1.00 0.00 C ATOM 0 H VAL A 57 -5.279 11.137 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.592 10.642 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.036 10.523 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.778 12.953 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.281 12.353 -8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.337 13.212 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.837 11.841 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.356 12.051 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.652 10.428 -5.233 1.00 0.00 H new ATOM 798 N GLY A 58 -5.703 8.561 -5.562 1.00 0.00 N ATOM 799 CA GLY A 58 -5.613 7.170 -5.155 1.00 0.00 C ATOM 800 C GLY A 58 -6.388 6.246 -6.073 1.00 0.00 C ATOM 801 O GLY A 58 -6.468 6.482 -7.279 1.00 0.00 O ATOM 0 H GLY A 58 -6.519 9.059 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.566 6.867 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.991 7.067 -4.138 1.00 0.00 H new ATOM 805 N LYS A 59 -6.960 5.191 -5.502 1.00 0.00 N ATOM 806 CA LYS A 59 -7.732 4.227 -6.278 1.00 0.00 C ATOM 807 C LYS A 59 -9.059 3.916 -5.592 1.00 0.00 C ATOM 808 O LYS A 59 -10.124 4.041 -6.195 1.00 0.00 O ATOM 809 CB LYS A 59 -6.931 2.939 -6.471 1.00 0.00 C ATOM 810 CG LYS A 59 -5.904 3.023 -7.589 1.00 0.00 C ATOM 811 CD LYS A 59 -5.553 1.646 -8.128 1.00 0.00 C ATOM 812 CE LYS A 59 -4.670 1.740 -9.363 1.00 0.00 C ATOM 813 NZ LYS A 59 -4.454 0.408 -9.992 1.00 0.00 N ATOM 0 H LYS A 59 -6.904 4.982 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.941 4.666 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.422 2.694 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.620 2.121 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.294 3.642 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.002 3.511 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.041 1.071 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.468 1.106 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.128 2.414 -10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.708 2.173 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.848 0.514 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.993 -0.228 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.370 0.006 -10.276 1.00 0.00 H new ATOM 827 N ASN A 60 -8.986 3.510 -4.329 1.00 0.00 N ATOM 828 CA ASN A 60 -10.182 3.180 -3.562 1.00 0.00 C ATOM 829 C ASN A 60 -10.469 4.251 -2.515 1.00 0.00 C ATOM 830 O ASN A 60 -9.840 5.310 -2.506 1.00 0.00 O ATOM 831 CB ASN A 60 -10.018 1.819 -2.884 1.00 0.00 C ATOM 832 CG ASN A 60 -9.549 0.746 -3.847 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.221 0.444 -4.834 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.391 0.162 -3.563 1.00 0.00 N ATOM 0 H ASN A 60 -8.112 3.402 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.025 3.136 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.303 1.907 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.969 1.518 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.025 -0.568 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.867 0.444 -2.734 1.00 0.00 H new ATOM 841 N ASP A 61 -11.424 3.970 -1.633 1.00 0.00 N ATOM 842 CA ASP A 61 -11.794 4.908 -0.582 1.00 0.00 C ATOM 843 C ASP A 61 -11.824 4.218 0.778 1.00 0.00 C ATOM 844 O ASP A 61 -12.599 4.593 1.658 1.00 0.00 O ATOM 845 CB ASP A 61 -13.160 5.529 -0.882 1.00 0.00 C ATOM 846 CG ASP A 61 -14.225 4.483 -1.144 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.704 3.867 -0.168 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.581 4.281 -2.323 1.00 0.00 O ATOM 0 H ASP A 61 -11.955 3.099 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.042 5.697 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.465 6.152 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.076 6.183 -1.750 1.00 0.00 H new ATOM 853 N GLY A 62 -10.976 3.209 0.943 1.00 0.00 N ATOM 854 CA GLY A 62 -10.921 2.484 2.198 1.00 0.00 C ATOM 855 C GLY A 62 -11.581 1.121 2.111 1.00 0.00 C ATOM 856 O GLY A 62 -11.210 0.196 2.833 1.00 0.00 O ATOM 0 H GLY A 62 -10.325 2.880 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.880 2.362 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.410 3.072 2.975 1.00 0.00 H new ATOM 860 N ALA A 63 -12.563 0.998 1.223 1.00 0.00 N ATOM 861 CA ALA A 63 -13.277 -0.260 1.044 1.00 0.00 C ATOM 862 C ALA A 63 -12.923 -0.907 -0.292 1.00 0.00 C ATOM 863 O ALA A 63 -12.968 -0.260 -1.338 1.00 0.00 O ATOM 864 CB ALA A 63 -14.778 -0.033 1.141 1.00 0.00 C ATOM 0 H ALA A 63 -12.882 1.754 0.617 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.971 -0.939 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.299 -0.981 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.021 0.378 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.091 0.667 0.366 1.00 0.00 H new ATOM 870 N VAL A 64 -12.572 -2.188 -0.248 1.00 0.00 N ATOM 871 CA VAL A 64 -12.211 -2.924 -1.455 1.00 0.00 C ATOM 872 C VAL A 64 -13.014 -4.215 -1.570 1.00 0.00 C ATOM 873 O VAL A 64 -12.882 -5.116 -0.740 1.00 0.00 O ATOM 874 CB VAL A 64 -10.709 -3.262 -1.480 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.323 -3.891 -2.810 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.875 -2.018 -1.208 1.00 0.00 C ATOM 0 H VAL A 64 -12.530 -2.738 0.610 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.443 -2.278 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.507 -3.986 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.258 -4.122 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.893 -4.808 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.541 -3.194 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.817 -2.278 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.081 -1.268 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.130 -1.616 -0.227 1.00 0.00 H new ATOM 886 N GLY A 65 -13.847 -4.299 -2.602 1.00 0.00 N ATOM 887 CA GLY A 65 -14.658 -5.484 -2.806 1.00 0.00 C ATOM 888 C GLY A 65 -15.818 -5.568 -1.834 1.00 0.00 C ATOM 889 O GLY A 65 -16.875 -4.983 -2.067 1.00 0.00 O ATOM 0 H GLY A 65 -13.975 -3.567 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.042 -5.486 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.033 -6.371 -2.699 1.00 0.00 H new ATOM 893 N GLY A 66 -15.620 -6.297 -0.740 1.00 0.00 N ATOM 894 CA GLY A 66 -16.666 -6.442 0.255 1.00 0.00 C ATOM 895 C GLY A 66 -16.128 -6.414 1.672 1.00 0.00 C ATOM 896 O GLY A 66 -16.726 -6.991 2.580 1.00 0.00 O ATOM 0 H GLY A 66 -14.753 -6.790 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.395 -5.641 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.193 -7.381 0.089 1.00 0.00 H new ATOM 900 N VAL A 67 -14.996 -5.744 1.861 1.00 0.00 N ATOM 901 CA VAL A 67 -14.378 -5.645 3.177 1.00 0.00 C ATOM 902 C VAL A 67 -13.776 -4.261 3.399 1.00 0.00 C ATOM 903 O VAL A 67 -13.007 -3.768 2.573 1.00 0.00 O ATOM 904 CB VAL A 67 -13.277 -6.705 3.364 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.785 -6.718 4.803 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.784 -8.079 2.954 1.00 0.00 C ATOM 0 H VAL A 67 -14.488 -5.262 1.119 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.167 -5.819 3.909 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.436 -6.446 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.007 -7.474 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.379 -5.739 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.616 -6.951 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.992 -8.815 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.642 -8.349 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.081 -8.059 1.905 1.00 0.00 H new ATOM 916 N ARG A 68 -14.131 -3.639 4.518 1.00 0.00 N ATOM 917 CA ARG A 68 -13.626 -2.311 4.848 1.00 0.00 C ATOM 918 C ARG A 68 -12.326 -2.405 5.640 1.00 0.00 C ATOM 919 O ARG A 68 -12.151 -3.306 6.461 1.00 0.00 O ATOM 920 CB ARG A 68 -14.670 -1.530 5.647 1.00 0.00 C ATOM 921 CG ARG A 68 -14.742 -0.057 5.277 1.00 0.00 C ATOM 922 CD ARG A 68 -15.179 0.794 6.458 1.00 0.00 C ATOM 923 NE ARG A 68 -16.614 1.066 6.436 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.305 1.487 7.493 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.697 1.686 8.656 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.608 1.711 7.386 1.00 0.00 N ATOM 0 H ARG A 68 -14.766 -4.033 5.212 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.424 -1.784 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.649 -1.984 5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.443 -1.619 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.766 0.279 4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.441 0.078 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.921 0.285 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.631 1.736 6.448 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.116 0.925 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.695 1.516 8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.232 2.009 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.080 1.561 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.138 2.034 8.195 1.00 0.00 H new ATOM 940 N TYR A 69 -11.416 -1.469 5.388 1.00 0.00 N ATOM 941 CA TYR A 69 -10.131 -1.446 6.078 1.00 0.00 C ATOM 942 C TYR A 69 -9.990 -0.184 6.922 1.00 0.00 C ATOM 943 O TYR A 69 -9.984 -0.245 8.152 1.00 0.00 O ATOM 944 CB TYR A 69 -8.985 -1.529 5.069 1.00 0.00 C ATOM 945 CG TYR A 69 -9.051 -2.748 4.177 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.994 -2.840 3.161 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.167 -3.807 4.349 1.00 0.00 C ATOM 948 CE1 TYR A 69 -10.058 -3.952 2.344 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.224 -4.923 3.536 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.170 -4.990 2.535 1.00 0.00 C ATOM 951 OH TYR A 69 -9.229 -6.100 1.723 1.00 0.00 O ATOM 0 H TYR A 69 -11.545 -0.717 4.711 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.086 -2.311 6.740 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.994 -0.634 4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.037 -1.534 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.689 -2.028 3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.424 -3.757 5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.799 -4.008 1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.531 -5.738 3.684 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.652 -5.965 0.942 1.00 0.00 H new ATOM 961 N PHE A 70 -9.877 0.960 6.255 1.00 0.00 N ATOM 962 CA PHE A 70 -9.735 2.237 6.944 1.00 0.00 C ATOM 963 C PHE A 70 -10.737 3.257 6.411 1.00 0.00 C ATOM 964 O PHE A 70 -11.219 3.139 5.285 1.00 0.00 O ATOM 965 CB PHE A 70 -8.311 2.773 6.782 1.00 0.00 C ATOM 966 CG PHE A 70 -7.828 2.774 5.360 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.225 1.649 4.818 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.974 3.899 4.565 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.779 1.647 3.511 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.530 3.903 3.257 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.932 2.775 2.729 1.00 0.00 C ATOM 0 H PHE A 70 -9.881 1.029 5.237 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.937 2.074 8.003 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.268 3.790 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.634 2.170 7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.103 0.764 5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.441 4.784 4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.311 0.764 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.650 4.787 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.585 2.775 1.706 1.00 0.00 H new ATOM 981 N GLU A 71 -11.047 4.257 7.230 1.00 0.00 N ATOM 982 CA GLU A 71 -11.991 5.298 6.842 1.00 0.00 C ATOM 983 C GLU A 71 -11.259 6.564 6.410 1.00 0.00 C ATOM 984 O GLU A 71 -10.604 7.221 7.219 1.00 0.00 O ATOM 985 CB GLU A 71 -12.939 5.613 8.001 1.00 0.00 C ATOM 986 CG GLU A 71 -14.091 6.526 7.613 1.00 0.00 C ATOM 987 CD GLU A 71 -14.976 6.879 8.792 1.00 0.00 C ATOM 988 OE1 GLU A 71 -14.652 7.849 9.508 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.994 6.186 8.999 1.00 0.00 O ATOM 0 H GLU A 71 -10.658 4.368 8.166 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.572 4.930 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.342 4.680 8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.372 6.079 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.693 7.441 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.692 6.040 6.844 1.00 0.00 H new ATOM 996 N CYS A 72 -11.377 6.901 5.129 1.00 0.00 N ATOM 997 CA CYS A 72 -10.725 8.090 4.590 1.00 0.00 C ATOM 998 C CYS A 72 -11.471 8.610 3.363 1.00 0.00 C ATOM 999 O CYS A 72 -12.329 7.922 2.810 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.273 7.778 4.224 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.090 8.111 5.552 1.00 0.00 S ATOM 0 H CYS A 72 -11.917 6.369 4.446 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.741 8.864 5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.198 6.728 3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.996 8.365 3.349 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.646 7.862 6.701 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.152 9.839 2.922 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.797 10.451 1.754 1.00 0.00 C ATOM 1009 C PRO A 73 -11.764 9.540 0.532 1.00 0.00 C ATOM 1010 O PRO A 73 -11.077 8.519 0.524 1.00 0.00 O ATOM 1011 CB PRO A 73 -10.963 11.710 1.506 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.375 12.042 2.834 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.141 10.728 3.524 1.00 0.00 C ATOM 0 HA PRO A 73 -12.854 10.652 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.186 11.530 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.580 12.526 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.442 12.595 2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.050 12.672 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.130 10.359 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.272 10.812 4.603 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.511 9.918 -0.501 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.568 9.136 -1.730 1.00 0.00 C ATOM 1023 C ALA A 74 -11.366 9.426 -2.622 1.00 0.00 C ATOM 1024 O ALA A 74 -10.793 10.515 -2.574 1.00 0.00 O ATOM 1025 CB ALA A 74 -13.862 9.419 -2.476 1.00 0.00 C ATOM 0 H ALA A 74 -13.085 10.761 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.541 8.080 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.891 8.828 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.711 9.153 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.913 10.479 -2.726 1.00 0.00 H new ATOM 1031 N LEU A 75 -10.989 8.446 -3.436 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.855 8.597 -4.341 1.00 0.00 C ATOM 1033 C LEU A 75 -8.572 8.882 -3.566 1.00 0.00 C ATOM 1034 O LEU A 75 -7.654 9.521 -4.080 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.120 9.723 -5.340 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.151 9.398 -6.424 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.296 10.565 -7.389 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -10.756 8.133 -7.170 1.00 0.00 C ATOM 0 H LEU A 75 -11.452 7.539 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.729 7.660 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.457 10.603 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.179 9.989 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.115 9.228 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.033 10.316 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.624 11.450 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.336 10.766 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.499 7.916 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.782 8.276 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.703 7.299 -6.470 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.515 8.405 -2.327 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.344 8.610 -1.481 1.00 0.00 C ATOM 1052 C GLN A 76 -6.847 7.289 -0.906 1.00 0.00 C ATOM 1053 O GLN A 76 -5.643 7.038 -0.847 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.670 9.584 -0.349 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.524 11.045 -0.741 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.694 11.985 0.436 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.497 12.917 0.390 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.936 11.745 1.500 1.00 0.00 N ATOM 0 H GLN A 76 -9.266 7.874 -1.886 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.552 9.035 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.692 9.407 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.015 9.377 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.542 11.201 -1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.263 11.288 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.283 10.961 1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.006 12.345 2.322 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.783 6.448 -0.482 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.424 5.162 0.085 1.00 0.00 C ATOM 1069 C GLY A 77 -6.920 4.187 -0.961 1.00 0.00 C ATOM 1070 O GLY A 77 -7.659 3.310 -1.408 1.00 0.00 O ATOM 0 H GLY A 77 -8.785 6.634 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.655 5.305 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.292 4.735 0.587 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.659 4.340 -1.351 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.057 3.466 -2.350 1.00 0.00 C ATOM 1076 C ILE A 78 -4.407 2.250 -1.697 1.00 0.00 C ATOM 1077 O ILE A 78 -3.956 2.315 -0.553 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.001 4.216 -3.190 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.469 3.316 -4.307 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.862 4.703 -2.305 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.994 4.080 -5.523 1.00 0.00 C ATOM 0 H ILE A 78 -5.034 5.061 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.861 3.133 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.476 5.085 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.645 2.718 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.253 2.621 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.127 5.229 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.255 5.379 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.387 3.850 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.630 3.379 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.821 4.658 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.188 4.755 -5.236 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.365 1.142 -2.429 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.772 -0.090 -1.920 1.00 0.00 C ATOM 1095 C PHE A 79 -2.578 -0.511 -2.772 1.00 0.00 C ATOM 1096 O PHE A 79 -2.649 -0.515 -4.001 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.815 -1.209 -1.891 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.419 -1.431 -0.534 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.753 -2.184 0.420 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.652 -0.886 -0.212 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -5.306 -2.391 1.669 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.210 -1.090 1.037 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.536 -1.843 1.978 1.00 0.00 C ATOM 0 H PHE A 79 -4.735 1.071 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.422 0.096 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.609 -0.973 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.351 -2.136 -2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.791 -2.614 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.183 -0.296 -0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.777 -2.981 2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.172 -0.661 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.970 -2.003 2.954 1.00 0.00 H new ATOM 1113 N THR A 80 -1.483 -0.867 -2.109 1.00 0.00 N ATOM 1114 CA THR A 80 -0.272 -1.292 -2.803 1.00 0.00 C ATOM 1115 C THR A 80 0.600 -2.154 -1.897 1.00 0.00 C ATOM 1116 O THR A 80 0.318 -2.305 -0.708 1.00 0.00 O ATOM 1117 CB THR A 80 0.519 -0.075 -3.285 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.729 -0.476 -3.903 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.869 0.890 -2.173 1.00 0.00 C ATOM 0 H THR A 80 -1.409 -0.870 -1.092 1.00 0.00 H new ATOM 0 HA THR A 80 -0.568 -1.888 -3.666 1.00 0.00 H new ATOM 0 HB THR A 80 -0.136 0.434 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.220 0.316 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.429 1.730 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.046 1.257 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.476 0.379 -1.426 1.00 0.00 H new ATOM 1127 N ARG A 81 1.661 -2.719 -2.465 1.00 0.00 N ATOM 1128 CA ARG A 81 2.573 -3.567 -1.706 1.00 0.00 C ATOM 1129 C ARG A 81 3.497 -2.724 -0.829 1.00 0.00 C ATOM 1130 O ARG A 81 3.926 -1.641 -1.228 1.00 0.00 O ATOM 1131 CB ARG A 81 3.403 -4.435 -2.654 1.00 0.00 C ATOM 1132 CG ARG A 81 2.587 -5.070 -3.769 1.00 0.00 C ATOM 1133 CD ARG A 81 2.986 -4.529 -5.133 1.00 0.00 C ATOM 1134 NE ARG A 81 2.392 -5.300 -6.223 1.00 0.00 N ATOM 1135 CZ ARG A 81 2.351 -4.884 -7.487 1.00 0.00 C ATOM 1136 NH1 ARG A 81 2.867 -3.709 -7.824 1.00 0.00 N ATOM 1137 NH2 ARG A 81 1.792 -5.646 -8.416 1.00 0.00 N ATOM 0 H ARG A 81 1.910 -2.605 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 81 1.978 -4.213 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.192 -3.825 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.891 -5.222 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.725 -6.151 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.527 -4.881 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.676 -3.487 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.072 -4.546 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 81 1.985 -6.209 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.298 -3.119 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.832 -3.396 -8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.394 -6.550 -8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.760 -5.328 -9.385 1.00 0.00 H new ATOM 1151 N PRO A 82 3.818 -3.210 0.384 1.00 0.00 N ATOM 1152 CA PRO A 82 4.696 -2.492 1.314 1.00 0.00 C ATOM 1153 C PRO A 82 6.028 -2.112 0.677 1.00 0.00 C ATOM 1154 O PRO A 82 6.532 -1.007 0.880 1.00 0.00 O ATOM 1155 CB PRO A 82 4.916 -3.497 2.449 1.00 0.00 C ATOM 1156 CG PRO A 82 3.731 -4.397 2.394 1.00 0.00 C ATOM 1157 CD PRO A 82 3.352 -4.494 0.943 1.00 0.00 C ATOM 0 HA PRO A 82 4.256 -1.550 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.843 -4.054 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.987 -2.995 3.414 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.968 -5.380 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.908 -3.996 2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.834 -5.343 0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.277 -4.622 0.816 1.00 0.00 H new ATOM 1165 N SER A 83 6.595 -3.035 -0.093 1.00 0.00 N ATOM 1166 CA SER A 83 7.870 -2.798 -0.761 1.00 0.00 C ATOM 1167 C SER A 83 7.783 -1.593 -1.693 1.00 0.00 C ATOM 1168 O SER A 83 8.759 -0.865 -1.873 1.00 0.00 O ATOM 1169 CB SER A 83 8.294 -4.038 -1.550 1.00 0.00 C ATOM 1170 OG SER A 83 7.487 -4.210 -2.703 1.00 0.00 O ATOM 0 H SER A 83 6.191 -3.955 -0.270 1.00 0.00 H new ATOM 0 HA SER A 83 8.618 -2.588 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.339 -3.946 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.219 -4.920 -0.915 1.00 0.00 H new ATOM 0 HG SER A 83 7.779 -5.008 -3.191 1.00 0.00 H new ATOM 1176 N LYS A 84 6.610 -1.389 -2.281 1.00 0.00 N ATOM 1177 CA LYS A 84 6.397 -0.272 -3.195 1.00 0.00 C ATOM 1178 C LYS A 84 6.523 1.061 -2.464 1.00 0.00 C ATOM 1179 O LYS A 84 6.946 2.060 -3.045 1.00 0.00 O ATOM 1180 CB LYS A 84 5.021 -0.379 -3.853 1.00 0.00 C ATOM 1181 CG LYS A 84 4.792 -1.698 -4.574 1.00 0.00 C ATOM 1182 CD LYS A 84 5.304 -1.647 -6.005 1.00 0.00 C ATOM 1183 CE LYS A 84 5.957 -2.958 -6.410 1.00 0.00 C ATOM 1184 NZ LYS A 84 7.147 -2.740 -7.278 1.00 0.00 N ATOM 0 H LYS A 84 5.792 -1.982 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 84 7.165 -0.316 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.252 -0.253 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.903 0.439 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.295 -2.501 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.728 -1.933 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.477 -1.427 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.023 -0.834 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.255 -3.507 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.231 -3.577 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.564 -3.658 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.859 -2.239 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.851 -2.170 -6.766 1.00 0.00 H new ATOM 1198 N LEU A 85 6.154 1.067 -1.188 1.00 0.00 N ATOM 1199 CA LEU A 85 6.226 2.278 -0.377 1.00 0.00 C ATOM 1200 C LEU A 85 7.669 2.589 0.007 1.00 0.00 C ATOM 1201 O LEU A 85 8.484 1.684 0.184 1.00 0.00 O ATOM 1202 CB LEU A 85 5.371 2.126 0.882 1.00 0.00 C ATOM 1203 CG LEU A 85 3.970 1.557 0.650 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.292 1.250 1.976 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.131 2.528 -0.167 1.00 0.00 C ATOM 0 H LEU A 85 5.802 0.248 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 85 5.840 3.107 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.897 1.479 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.276 3.102 1.358 1.00 0.00 H new ATOM 0 HG LEU A 85 4.064 0.627 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.297 0.846 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.884 0.519 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.209 2.165 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.137 2.108 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.045 3.474 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.608 2.699 -1.132 1.00 0.00 H new ATOM 1217 N THR A 86 7.978 3.876 0.134 1.00 0.00 N ATOM 1218 CA THR A 86 9.323 4.307 0.497 1.00 0.00 C ATOM 1219 C THR A 86 9.276 5.487 1.462 1.00 0.00 C ATOM 1220 O THR A 86 8.250 6.155 1.591 1.00 0.00 O ATOM 1221 CB THR A 86 10.114 4.689 -0.756 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.308 5.438 -1.648 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.647 3.492 -1.514 1.00 0.00 C ATOM 0 H THR A 86 7.315 4.638 -0.009 1.00 0.00 H new ATOM 0 HA THR A 86 9.822 3.475 0.994 1.00 0.00 H new ATOM 0 HB THR A 86 10.958 5.278 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.831 5.674 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.198 3.832 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.312 2.919 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.816 2.862 -1.830 1.00 0.00 H new ATOM 1231 N ARG A 87 10.393 5.737 2.137 1.00 0.00 N ATOM 1232 CA ARG A 87 10.480 6.838 3.090 1.00 0.00 C ATOM 1233 C ARG A 87 11.237 8.019 2.490 1.00 0.00 C ATOM 1234 O ARG A 87 11.891 8.779 3.206 1.00 0.00 O ATOM 1235 CB ARG A 87 11.169 6.370 4.376 1.00 0.00 C ATOM 1236 CG ARG A 87 10.236 6.304 5.576 1.00 0.00 C ATOM 1237 CD ARG A 87 10.653 7.277 6.670 1.00 0.00 C ATOM 1238 NE ARG A 87 10.685 6.640 7.985 1.00 0.00 N ATOM 1239 CZ ARG A 87 10.742 7.312 9.132 1.00 0.00 C ATOM 1240 NH1 ARG A 87 10.770 8.640 9.132 1.00 0.00 N ATOM 1241 NH2 ARG A 87 10.769 6.656 10.284 1.00 0.00 N ATOM 0 H ARG A 87 11.250 5.193 2.042 1.00 0.00 H new ATOM 0 HA ARG A 87 9.467 7.165 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.602 5.384 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.993 7.046 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.218 6.529 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.228 5.290 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.638 7.682 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.960 8.118 6.691 1.00 0.00 H new ATOM 0 HE ARG A 87 10.662 5.621 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.748 9.151 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.814 9.149 10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.746 5.636 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.813 7.171 11.163 1.00 0.00 H new ATOM 1255 N GLN A 88 11.143 8.169 1.172 1.00 0.00 N ATOM 1256 CA GLN A 88 11.819 9.259 0.478 1.00 0.00 C ATOM 1257 C GLN A 88 11.471 9.257 -1.008 1.00 0.00 C ATOM 1258 O GLN A 88 11.210 8.205 -1.592 1.00 0.00 O ATOM 1259 CB GLN A 88 13.334 9.145 0.658 1.00 0.00 C ATOM 1260 CG GLN A 88 13.919 7.863 0.090 1.00 0.00 C ATOM 1261 CD GLN A 88 15.403 7.724 0.370 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.852 6.716 0.914 1.00 0.00 O ATOM 1263 NE2 GLN A 88 16.172 8.742 0.000 1.00 0.00 N ATOM 0 H GLN A 88 10.606 7.550 0.564 1.00 0.00 H new ATOM 0 HA GLN A 88 11.478 10.199 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.814 9.998 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.571 9.203 1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.392 7.008 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.752 7.838 -0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.756 9.559 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.178 8.707 0.164 1.00 0.00 H new ATOM 1272 N PRO A 89 11.462 10.441 -1.643 1.00 0.00 N ATOM 1273 CA PRO A 89 11.144 10.571 -3.069 1.00 0.00 C ATOM 1274 C PRO A 89 12.242 10.003 -3.962 1.00 0.00 C ATOM 1275 O PRO A 89 13.427 10.108 -3.648 1.00 0.00 O ATOM 1276 CB PRO A 89 11.021 12.083 -3.270 1.00 0.00 C ATOM 1277 CG PRO A 89 11.868 12.676 -2.199 1.00 0.00 C ATOM 1278 CD PRO A 89 11.761 11.746 -1.022 1.00 0.00 C ATOM 0 HA PRO A 89 10.244 10.017 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.368 12.381 -4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.985 12.411 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.903 12.771 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.523 13.677 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.688 11.715 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.972 12.055 -0.336 1.00 0.00 H new