USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 LYS NZ :NH3+ -119:sc= 0.0653 (180deg=-0.221) USER MOD Set 1.2: A 78 GLN :FLIP amide:sc= -1.03 F(o=-7.6!,f=-0.97) USER MOD Set 2.1: A 32 SER OG : rot 140:sc= 0 USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0 USER MOD Set 2.3: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 14 TYR OH : rot 79:sc= -1.24 USER MOD Single : A 15 SER OG : rot 36:sc= 0.839 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0271 (180deg=-0.232) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 75:sc= 0.00104 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.204 USER MOD Single : A 55 SER OG : rot 120:sc= -0.501 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -121:sc= -3.32 (180deg=-6.22!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0272 X(o=-0.027,f=-0.5) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.738 F(o=-4.5!,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.503 -7.766 1.841 1.00 0.55 N ATOM 139 CA SER A 12 -9.817 -8.424 2.943 1.00 0.45 C ATOM 140 C SER A 12 -8.504 -7.723 3.275 1.00 0.39 C ATOM 141 O SER A 12 -7.924 -7.026 2.435 1.00 0.38 O ATOM 142 CB SER A 12 -9.550 -9.891 2.604 1.00 0.51 C ATOM 143 OG SER A 12 -8.894 -10.550 3.673 1.00 0.90 O ATOM 0 HA SER A 12 -10.465 -8.369 3.818 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.492 -10.394 2.386 1.00 0.51 H new ATOM 0 HB3 SER A 12 -8.939 -9.954 1.704 1.00 0.51 H new ATOM 0 HG SER A 12 -8.736 -11.487 3.432 1.00 0.90 H new ATOM 149 N LEU A 13 -8.048 -7.916 4.510 1.00 0.41 N ATOM 150 CA LEU A 13 -6.803 -7.321 4.976 1.00 0.40 C ATOM 151 C LEU A 13 -5.666 -8.329 4.862 1.00 0.45 C ATOM 152 O LEU A 13 -5.552 -9.241 5.681 1.00 0.68 O ATOM 153 CB LEU A 13 -6.947 -6.867 6.432 1.00 0.56 C ATOM 154 CG LEU A 13 -8.211 -6.064 6.743 1.00 0.63 C ATOM 155 CD1 LEU A 13 -8.387 -5.910 8.246 1.00 0.89 C ATOM 156 CD2 LEU A 13 -8.153 -4.702 6.071 1.00 0.79 C ATOM 0 H LEU A 13 -8.527 -8.484 5.209 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.576 -6.455 4.354 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.929 -7.748 7.074 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -6.079 -6.263 6.695 1.00 0.56 H new ATOM 0 HG LEU A 13 -9.071 -6.606 6.350 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -9.291 -5.336 8.450 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.471 -6.895 8.705 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -7.525 -5.388 8.662 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -9.060 -4.143 6.302 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -7.285 -4.153 6.436 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -8.072 -4.832 4.992 1.00 0.79 H new ATOM 168 N TYR A 14 -4.825 -8.164 3.846 1.00 0.36 N ATOM 169 CA TYR A 14 -3.709 -9.079 3.633 1.00 0.50 C ATOM 170 C TYR A 14 -2.382 -8.325 3.578 1.00 0.31 C ATOM 171 O TYR A 14 -2.336 -7.155 3.199 1.00 0.37 O ATOM 172 CB TYR A 14 -3.922 -9.881 2.346 1.00 0.80 C ATOM 173 CG TYR A 14 -3.907 -9.043 1.086 1.00 0.68 C ATOM 174 CD1 TYR A 14 -5.026 -8.314 0.690 1.00 0.71 C ATOM 175 CD2 TYR A 14 -2.773 -8.989 0.287 1.00 1.20 C ATOM 176 CE1 TYR A 14 -5.007 -7.558 -0.466 1.00 1.34 C ATOM 177 CE2 TYR A 14 -2.749 -8.232 -0.868 1.00 1.90 C ATOM 178 CZ TYR A 14 -3.868 -7.519 -1.241 1.00 1.98 C ATOM 179 OH TYR A 14 -3.846 -6.768 -2.393 1.00 2.73 O ATOM 0 H TYR A 14 -4.894 -7.411 3.162 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.668 -9.768 4.476 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.145 -10.642 2.272 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -4.876 -10.404 2.410 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -5.920 -8.340 1.295 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -1.895 -9.548 0.573 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -5.882 -6.999 -0.762 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -1.857 -8.199 -1.476 1.00 1.90 H new ATOM 0 HH TYR A 14 -3.714 -5.824 -2.166 1.00 2.73 H new ATOM 189 N SER A 15 -1.305 -9.002 3.962 1.00 0.43 N ATOM 190 CA SER A 15 0.018 -8.388 3.966 1.00 0.38 C ATOM 191 C SER A 15 0.985 -9.145 3.062 1.00 0.33 C ATOM 192 O SER A 15 0.803 -10.333 2.791 1.00 0.41 O ATOM 193 CB SER A 15 0.574 -8.336 5.391 1.00 0.59 C ATOM 194 OG SER A 15 1.864 -7.752 5.413 1.00 1.19 O ATOM 0 H SER A 15 -1.322 -9.973 4.274 1.00 0.43 H new ATOM 0 HA SER A 15 -0.086 -7.374 3.581 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.100 -7.762 6.027 1.00 0.59 H new ATOM 0 HB3 SER A 15 0.620 -9.344 5.804 1.00 0.59 H new ATOM 0 HG SER A 15 1.911 -7.037 4.745 1.00 1.19 H new ATOM 200 N VAL A 16 2.014 -8.441 2.598 1.00 0.32 N ATOM 201 CA VAL A 16 3.025 -9.027 1.726 1.00 0.33 C ATOM 202 C VAL A 16 4.425 -8.685 2.229 1.00 0.31 C ATOM 203 O VAL A 16 4.687 -7.551 2.628 1.00 0.44 O ATOM 204 CB VAL A 16 2.873 -8.527 0.275 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.805 -9.286 -0.657 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.428 -8.651 -0.184 1.00 0.56 C ATOM 0 H VAL A 16 2.169 -7.456 2.814 1.00 0.32 H new ATOM 0 HA VAL A 16 2.883 -10.108 1.741 1.00 0.33 H new ATOM 0 HB VAL A 16 3.151 -7.473 0.244 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.681 -8.917 -1.675 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.837 -9.137 -0.340 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.566 -10.349 -0.625 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.340 -8.293 -1.210 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.119 -9.695 -0.136 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.788 -8.053 0.465 1.00 0.56 H new ATOM 216 N GLU A 17 5.322 -9.667 2.203 1.00 0.33 N ATOM 217 CA GLU A 17 6.691 -9.463 2.669 1.00 0.34 C ATOM 218 C GLU A 17 7.593 -8.961 1.545 1.00 0.32 C ATOM 219 O GLU A 17 7.844 -9.670 0.570 1.00 0.38 O ATOM 220 CB GLU A 17 7.253 -10.763 3.249 1.00 0.45 C ATOM 221 CG GLU A 17 6.471 -11.288 4.443 1.00 0.71 C ATOM 222 CD GLU A 17 7.043 -12.581 4.993 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.646 -13.660 4.506 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.890 -12.513 5.909 1.00 1.74 O ATOM 0 H GLU A 17 5.127 -10.609 1.865 1.00 0.33 H new ATOM 0 HA GLU A 17 6.667 -8.702 3.449 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.262 -11.524 2.469 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.289 -10.600 3.548 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.467 -10.534 5.230 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.434 -11.450 4.150 1.00 0.71 H new ATOM 231 N LEU A 18 8.077 -7.730 1.694 1.00 0.31 N ATOM 232 CA LEU A 18 8.960 -7.120 0.704 1.00 0.34 C ATOM 233 C LEU A 18 10.256 -6.651 1.357 1.00 0.38 C ATOM 234 O LEU A 18 10.242 -5.784 2.232 1.00 0.68 O ATOM 235 CB LEU A 18 8.265 -5.934 0.026 1.00 0.40 C ATOM 236 CG LEU A 18 7.664 -6.220 -1.353 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.752 -6.611 -2.341 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.606 -7.310 -1.265 1.00 0.71 C ATOM 0 H LEU A 18 7.871 -7.133 2.495 1.00 0.31 H new ATOM 0 HA LEU A 18 9.196 -7.872 -0.049 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.471 -5.578 0.682 1.00 0.40 H new ATOM 0 HB3 LEU A 18 8.985 -5.122 -0.073 1.00 0.40 H new ATOM 0 HG LEU A 18 7.186 -5.308 -1.711 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.305 -6.810 -3.315 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.471 -5.797 -2.432 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.261 -7.507 -1.986 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.193 -7.497 -2.256 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.057 -8.225 -0.882 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.809 -6.990 -0.594 1.00 0.71 H new ATOM 250 N PHE A 19 11.374 -7.227 0.930 1.00 0.41 N ATOM 251 CA PHE A 19 12.678 -6.865 1.476 1.00 0.43 C ATOM 252 C PHE A 19 13.488 -6.056 0.469 1.00 0.49 C ATOM 253 O PHE A 19 13.573 -6.419 -0.704 1.00 0.59 O ATOM 254 CB PHE A 19 13.451 -8.124 1.880 1.00 0.48 C ATOM 255 CG PHE A 19 13.498 -9.176 0.809 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.507 -10.141 0.721 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.535 -9.200 -0.112 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.549 -11.109 -0.264 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.582 -10.166 -1.099 1.00 2.08 C ATOM 260 CZ PHE A 19 13.582 -11.125 -1.173 1.00 1.94 C ATOM 0 H PHE A 19 11.404 -7.946 0.208 1.00 0.41 H new ATOM 0 HA PHE A 19 12.515 -6.247 2.359 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.470 -7.844 2.146 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.994 -8.549 2.774 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.693 -10.136 1.430 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.315 -8.455 -0.057 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.770 -11.854 -0.321 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.394 -10.174 -1.810 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.614 -11.882 -1.942 1.00 1.94 H new ATOM 270 N ARG A 20 14.077 -4.954 0.927 1.00 0.52 N ATOM 271 CA ARG A 20 14.884 -4.112 0.049 1.00 0.66 C ATOM 272 C ARG A 20 16.367 -4.252 0.375 1.00 0.68 C ATOM 273 O ARG A 20 16.854 -3.688 1.355 1.00 0.83 O ATOM 274 CB ARG A 20 14.458 -2.647 0.159 1.00 0.73 C ATOM 275 CG ARG A 20 14.882 -1.805 -1.036 1.00 0.99 C ATOM 276 CD ARG A 20 14.493 -0.345 -0.865 1.00 1.19 C ATOM 277 NE ARG A 20 15.282 0.311 0.173 1.00 1.60 N ATOM 278 CZ ARG A 20 15.553 1.614 0.184 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.088 2.401 -0.778 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.289 2.129 1.159 1.00 3.06 N ATOM 0 H ARG A 20 14.012 -4.626 1.891 1.00 0.52 H new ATOM 0 HA ARG A 20 14.721 -4.446 -0.976 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.374 -2.598 0.263 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.885 -2.219 1.066 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.961 -1.880 -1.169 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.421 -2.200 -1.941 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.629 0.180 -1.811 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.435 -0.279 -0.613 1.00 1.19 H new ATOM 0 HE ARG A 20 15.647 -0.262 0.934 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.521 2.008 -1.529 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.298 3.399 -0.766 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.647 1.527 1.900 1.00 3.06 H new ATOM 0 HH22 ARG A 20 16.497 3.128 1.168 1.00 3.06 H new ATOM 294 N GLU A 21 17.081 -5.008 -0.455 1.00 0.82 N ATOM 295 CA GLU A 21 18.510 -5.228 -0.255 1.00 0.93 C ATOM 296 C GLU A 21 19.298 -4.914 -1.525 1.00 1.16 C ATOM 297 O GLU A 21 20.527 -4.985 -1.536 1.00 1.57 O ATOM 298 CB GLU A 21 18.768 -6.672 0.181 1.00 1.09 C ATOM 299 CG GLU A 21 18.105 -7.707 -0.713 1.00 1.62 C ATOM 300 CD GLU A 21 18.289 -9.122 -0.201 1.00 2.00 C ATOM 301 OE1 GLU A 21 17.559 -9.515 0.734 1.00 2.58 O ATOM 302 OE2 GLU A 21 19.164 -9.838 -0.734 1.00 2.21 O ATOM 0 H GLU A 21 16.693 -5.479 -1.273 1.00 0.82 H new ATOM 0 HA GLU A 21 18.849 -4.553 0.531 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.843 -6.852 0.195 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.410 -6.804 1.202 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.040 -7.488 -0.789 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.519 -7.632 -1.719 1.00 1.62 H new ATOM 309 N LYS A 22 18.584 -4.566 -2.590 1.00 1.11 N ATOM 310 CA LYS A 22 19.218 -4.238 -3.862 1.00 1.40 C ATOM 311 C LYS A 22 19.673 -2.780 -3.881 1.00 1.31 C ATOM 312 O LYS A 22 19.185 -1.957 -3.105 1.00 1.38 O ATOM 313 CB LYS A 22 18.257 -4.499 -5.027 1.00 1.65 C ATOM 314 CG LYS A 22 18.074 -5.974 -5.357 1.00 2.00 C ATOM 315 CD LYS A 22 17.305 -6.707 -4.270 1.00 2.54 C ATOM 316 CE LYS A 22 17.151 -8.183 -4.595 1.00 3.05 C ATOM 317 NZ LYS A 22 16.406 -8.396 -5.866 1.00 3.72 N ATOM 0 H LYS A 22 17.566 -4.504 -2.598 1.00 1.11 H new ATOM 0 HA LYS A 22 20.093 -4.878 -3.976 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.285 -4.067 -4.787 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.626 -3.982 -5.913 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.544 -6.071 -6.305 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.050 -6.440 -5.488 1.00 2.00 H new ATOM 0 HD2 LYS A 22 17.824 -6.595 -3.318 1.00 2.54 H new ATOM 0 HD3 LYS A 22 16.320 -6.255 -4.152 1.00 2.54 H new ATOM 0 HE2 LYS A 22 18.136 -8.643 -4.670 1.00 3.05 H new ATOM 0 HE3 LYS A 22 16.628 -8.682 -3.779 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 16.145 -9.399 -5.951 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 15.545 -7.813 -5.866 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 17.007 -8.125 -6.670 1.00 3.72 H new ATOM 331 N ASP A 23 20.608 -2.469 -4.774 1.00 1.46 N ATOM 332 CA ASP A 23 21.133 -1.113 -4.896 1.00 1.51 C ATOM 333 C ASP A 23 20.223 -0.251 -5.767 1.00 1.31 C ATOM 334 O ASP A 23 20.694 0.619 -6.502 1.00 1.58 O ATOM 335 CB ASP A 23 22.545 -1.143 -5.486 1.00 1.91 C ATOM 336 CG ASP A 23 23.509 -1.946 -4.638 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.995 -1.409 -3.620 1.00 2.87 O ATOM 338 OD2 ASP A 23 23.779 -3.114 -4.991 1.00 2.58 O ATOM 0 H ASP A 23 21.018 -3.139 -5.425 1.00 1.46 H new ATOM 0 HA ASP A 23 21.171 -0.674 -3.899 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.508 -1.568 -6.489 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.916 -0.123 -5.585 1.00 1.91 H new ATOM 343 N THR A 24 18.919 -0.497 -5.680 1.00 1.02 N ATOM 344 CA THR A 24 17.946 0.256 -6.463 1.00 0.98 C ATOM 345 C THR A 24 17.430 1.464 -5.685 1.00 1.01 C ATOM 346 O THR A 24 16.954 2.437 -6.271 1.00 1.16 O ATOM 347 CB THR A 24 16.753 -0.625 -6.873 1.00 1.17 C ATOM 348 OG1 THR A 24 16.013 -1.020 -5.711 1.00 1.38 O ATOM 349 CG2 THR A 24 17.227 -1.862 -7.620 1.00 1.19 C ATOM 0 H THR A 24 18.513 -1.211 -5.076 1.00 1.02 H new ATOM 0 HA THR A 24 18.460 0.599 -7.361 1.00 0.98 H new ATOM 0 HB THR A 24 16.110 -0.043 -7.533 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.255 -1.579 -5.981 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.367 -2.470 -7.900 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.766 -1.560 -8.518 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.889 -2.443 -6.978 1.00 1.19 H new ATOM 357 N SER A 25 17.529 1.387 -4.359 1.00 1.05 N ATOM 358 CA SER A 25 17.082 2.466 -3.481 1.00 1.35 C ATOM 359 C SER A 25 15.610 2.799 -3.714 1.00 1.17 C ATOM 360 O SER A 25 15.166 3.911 -3.431 1.00 1.39 O ATOM 361 CB SER A 25 17.940 3.715 -3.695 1.00 1.79 C ATOM 362 OG SER A 25 19.305 3.449 -3.419 1.00 2.45 O ATOM 0 H SER A 25 17.918 0.583 -3.867 1.00 1.05 H new ATOM 0 HA SER A 25 17.194 2.125 -2.452 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.834 4.061 -4.723 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.585 4.519 -3.050 1.00 1.79 H new ATOM 0 HG SER A 25 19.833 4.262 -3.565 1.00 2.45 H new ATOM 368 N SER A 26 14.858 1.827 -4.223 1.00 0.84 N ATOM 369 CA SER A 26 13.439 2.023 -4.493 1.00 0.72 C ATOM 370 C SER A 26 12.657 0.729 -4.283 1.00 0.58 C ATOM 371 O SER A 26 13.221 -0.363 -4.334 1.00 0.69 O ATOM 372 CB SER A 26 13.238 2.528 -5.922 1.00 0.81 C ATOM 373 OG SER A 26 13.904 3.762 -6.125 1.00 1.40 O ATOM 0 H SER A 26 15.208 0.898 -4.456 1.00 0.84 H new ATOM 0 HA SER A 26 13.062 2.769 -3.793 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.613 1.788 -6.629 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.173 2.649 -6.122 1.00 0.81 H new ATOM 0 HG SER A 26 14.868 3.605 -6.199 1.00 1.40 H new ATOM 379 N LEU A 27 11.354 0.862 -4.050 1.00 0.42 N ATOM 380 CA LEU A 27 10.492 -0.295 -3.835 1.00 0.32 C ATOM 381 C LEU A 27 9.464 -0.425 -4.953 1.00 0.29 C ATOM 382 O LEU A 27 8.630 -1.328 -4.939 1.00 0.41 O ATOM 383 CB LEU A 27 9.778 -0.190 -2.485 1.00 0.35 C ATOM 384 CG LEU A 27 10.673 -0.355 -1.257 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.881 -0.096 0.015 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.288 -1.747 -1.224 1.00 0.43 C ATOM 0 H LEU A 27 10.872 1.760 -4.005 1.00 0.42 H new ATOM 0 HA LEU A 27 11.122 -1.185 -3.836 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.286 0.781 -2.428 1.00 0.35 H new ATOM 0 HB3 LEU A 27 8.995 -0.947 -2.447 1.00 0.35 H new ATOM 0 HG LEU A 27 11.479 0.376 -1.320 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.533 -0.218 0.880 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.487 0.920 -0.002 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.055 -0.805 0.080 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.922 -1.844 -0.342 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.495 -2.494 -1.185 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.888 -1.901 -2.121 1.00 0.43 H new ATOM 398 N GLY A 28 9.529 0.485 -5.918 1.00 0.29 N ATOM 399 CA GLY A 28 8.600 0.454 -7.032 1.00 0.31 C ATOM 400 C GLY A 28 7.176 0.773 -6.617 1.00 0.29 C ATOM 401 O GLY A 28 6.224 0.387 -7.297 1.00 0.52 O ATOM 0 H GLY A 28 10.209 1.244 -5.949 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.922 1.170 -7.788 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.627 -0.533 -7.495 1.00 0.31 H new ATOM 405 N ILE A 29 7.029 1.479 -5.500 1.00 0.35 N ATOM 406 CA ILE A 29 5.712 1.852 -4.996 1.00 0.32 C ATOM 407 C ILE A 29 5.353 3.276 -5.411 1.00 0.30 C ATOM 408 O ILE A 29 5.941 4.240 -4.920 1.00 0.35 O ATOM 409 CB ILE A 29 5.647 1.744 -3.458 1.00 0.37 C ATOM 410 CG1 ILE A 29 6.063 0.341 -3.006 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.246 2.077 -2.964 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.164 0.190 -1.502 1.00 0.84 C ATOM 0 H ILE A 29 7.807 1.805 -4.926 1.00 0.35 H new ATOM 0 HA ILE A 29 4.995 1.156 -5.431 1.00 0.32 H new ATOM 0 HB ILE A 29 6.342 2.463 -3.026 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.342 -0.382 -3.387 1.00 0.46 H new ATOM 0 HG13 ILE A 29 7.027 0.096 -3.452 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.215 1.997 -1.877 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.988 3.094 -3.260 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.531 1.379 -3.400 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.463 -0.829 -1.258 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.906 0.888 -1.115 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.196 0.402 -1.049 1.00 0.84 H new ATOM 424 N SER A 30 4.387 3.402 -6.316 1.00 0.27 N ATOM 425 CA SER A 30 3.955 4.710 -6.794 1.00 0.29 C ATOM 426 C SER A 30 2.582 5.070 -6.236 1.00 0.28 C ATOM 427 O SER A 30 1.556 4.629 -6.755 1.00 0.35 O ATOM 428 CB SER A 30 3.920 4.731 -8.323 1.00 0.33 C ATOM 429 OG SER A 30 3.557 6.013 -8.809 1.00 0.95 O ATOM 0 H SER A 30 3.889 2.615 -6.732 1.00 0.27 H new ATOM 0 HA SER A 30 4.673 5.451 -6.444 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.898 4.454 -8.716 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.209 3.988 -8.684 1.00 0.33 H new ATOM 0 HG SER A 30 3.544 6.000 -9.789 1.00 0.95 H new ATOM 435 N ILE A 31 2.569 5.872 -5.175 1.00 0.25 N ATOM 436 CA ILE A 31 1.320 6.288 -4.546 1.00 0.27 C ATOM 437 C ILE A 31 0.713 7.487 -5.268 1.00 0.31 C ATOM 438 O ILE A 31 1.406 8.212 -5.982 1.00 0.41 O ATOM 439 CB ILE A 31 1.529 6.643 -3.062 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.588 7.741 -2.919 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.930 5.401 -2.278 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.753 8.249 -1.503 1.00 0.39 C ATOM 0 H ILE A 31 3.409 6.246 -4.733 1.00 0.25 H new ATOM 0 HA ILE A 31 0.634 5.444 -4.614 1.00 0.27 H new ATOM 0 HB ILE A 31 0.591 7.021 -2.655 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.546 7.358 -3.272 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.321 8.577 -3.566 1.00 0.31 H new ATOM 0 HG21 ILE A 31 2.075 5.663 -1.230 1.00 0.35 H new ATOM 0 HG22 ILE A 31 1.144 4.650 -2.359 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.858 4.999 -2.683 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.519 9.024 -1.481 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.808 8.664 -1.153 1.00 0.39 H new ATOM 0 HD13 ILE A 31 3.051 7.426 -0.854 1.00 0.39 H new ATOM 454 N SER A 32 -0.588 7.688 -5.075 1.00 0.37 N ATOM 455 CA SER A 32 -1.295 8.796 -5.710 1.00 0.44 C ATOM 456 C SER A 32 -2.275 9.447 -4.739 1.00 0.55 C ATOM 457 O SER A 32 -2.782 8.799 -3.824 1.00 0.59 O ATOM 458 CB SER A 32 -2.041 8.305 -6.951 1.00 0.48 C ATOM 459 OG SER A 32 -2.737 9.367 -7.579 1.00 1.32 O ATOM 0 H SER A 32 -1.174 7.098 -4.484 1.00 0.37 H new ATOM 0 HA SER A 32 -0.558 9.542 -6.007 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.334 7.863 -7.653 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.744 7.521 -6.670 1.00 0.48 H new ATOM 0 HG SER A 32 -2.655 9.282 -8.552 1.00 1.32 H new ATOM 465 N GLY A 33 -2.536 10.735 -4.948 1.00 0.70 N ATOM 466 CA GLY A 33 -3.455 11.456 -4.086 1.00 0.87 C ATOM 467 C GLY A 33 -4.848 11.554 -4.677 1.00 0.88 C ATOM 468 O GLY A 33 -5.003 11.759 -5.881 1.00 0.95 O ATOM 0 H GLY A 33 -2.127 11.291 -5.699 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.508 10.957 -3.119 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -3.068 12.459 -3.906 1.00 0.87 H new ATOM 634 N ILE A 46 -3.700 7.620 1.097 1.00 0.46 N ATOM 635 CA ILE A 46 -2.573 7.087 0.343 1.00 0.39 C ATOM 636 C ILE A 46 -2.897 5.710 -0.225 1.00 0.39 C ATOM 637 O ILE A 46 -3.317 4.810 0.505 1.00 0.57 O ATOM 638 CB ILE A 46 -1.308 6.985 1.219 1.00 0.38 C ATOM 639 CG1 ILE A 46 -0.977 8.344 1.848 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.133 6.467 0.403 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.691 9.436 0.837 1.00 0.55 C ATOM 0 HA ILE A 46 -2.383 7.780 -0.476 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.502 6.276 2.024 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.811 8.655 2.477 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.111 8.230 2.500 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.750 6.402 1.038 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.371 5.479 0.010 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.064 7.149 -0.424 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.466 10.366 1.360 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.163 9.149 0.223 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.564 9.580 0.200 1.00 0.55 H new ATOM 653 N TYR A 47 -2.702 5.551 -1.529 1.00 0.30 N ATOM 654 CA TYR A 47 -2.970 4.281 -2.192 1.00 0.30 C ATOM 655 C TYR A 47 -2.094 4.120 -3.429 1.00 0.26 C ATOM 656 O TYR A 47 -1.857 5.078 -4.164 1.00 0.29 O ATOM 657 CB TYR A 47 -4.449 4.182 -2.580 1.00 0.36 C ATOM 658 CG TYR A 47 -4.902 5.247 -3.554 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.218 6.526 -3.115 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.010 4.975 -4.912 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.629 7.505 -4.001 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.419 5.947 -5.804 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.743 7.203 -5.345 1.00 0.58 C ATOM 664 OH TYR A 47 -6.135 8.180 -6.231 1.00 0.70 O ATOM 0 H TYR A 47 -2.359 6.286 -2.148 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.733 3.478 -1.494 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.634 3.201 -3.018 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.056 4.248 -1.677 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.141 6.760 -2.063 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.770 3.987 -5.276 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.859 8.498 -3.645 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.484 5.722 -6.858 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.841 9.056 -5.903 1.00 0.70 H new ATOM 674 N VAL A 48 -1.612 2.901 -3.649 1.00 0.26 N ATOM 675 CA VAL A 48 -0.761 2.610 -4.796 1.00 0.25 C ATOM 676 C VAL A 48 -1.579 2.561 -6.080 1.00 0.28 C ATOM 677 O VAL A 48 -2.452 1.708 -6.237 1.00 0.39 O ATOM 678 CB VAL A 48 -0.019 1.271 -4.619 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.838 0.964 -5.838 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.828 1.297 -3.356 1.00 0.29 C ATOM 0 H VAL A 48 -1.797 2.098 -3.047 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.028 3.414 -4.863 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.760 0.478 -4.520 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.353 0.014 -5.691 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.204 0.900 -6.722 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.573 1.757 -5.975 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.346 0.344 -3.245 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.560 2.102 -3.425 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.186 1.464 -2.491 1.00 0.29 H new ATOM 690 N LYS A 49 -1.293 3.481 -6.993 1.00 0.31 N ATOM 691 CA LYS A 49 -2.003 3.542 -8.264 1.00 0.38 C ATOM 692 C LYS A 49 -1.144 2.985 -9.395 1.00 0.32 C ATOM 693 O LYS A 49 -1.663 2.515 -10.409 1.00 0.37 O ATOM 694 CB LYS A 49 -2.413 4.985 -8.574 1.00 0.49 C ATOM 695 CG LYS A 49 -3.117 5.146 -9.912 1.00 0.61 C ATOM 696 CD LYS A 49 -3.617 6.569 -10.116 1.00 0.84 C ATOM 697 CE LYS A 49 -4.787 6.888 -9.198 1.00 1.65 C ATOM 698 NZ LYS A 49 -5.342 8.245 -9.459 1.00 2.40 N ATOM 0 H LYS A 49 -0.574 4.195 -6.877 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.900 2.929 -8.182 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.070 5.345 -7.782 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.525 5.616 -8.563 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.432 4.882 -10.718 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.957 4.453 -9.967 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.805 7.271 -9.928 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.921 6.703 -11.154 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -5.570 6.143 -9.335 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -4.463 6.822 -8.160 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -6.137 8.425 -8.814 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -4.602 8.959 -9.303 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -5.675 8.301 -10.443 1.00 2.40 H new ATOM 712 N SER A 50 0.172 3.033 -9.211 1.00 0.28 N ATOM 713 CA SER A 50 1.102 2.534 -10.218 1.00 0.35 C ATOM 714 C SER A 50 2.284 1.816 -9.571 1.00 0.28 C ATOM 715 O SER A 50 2.509 1.927 -8.366 1.00 0.25 O ATOM 716 CB SER A 50 1.608 3.687 -11.088 1.00 0.49 C ATOM 717 OG SER A 50 2.494 3.218 -12.090 1.00 1.28 O ATOM 0 H SER A 50 0.618 3.412 -8.375 1.00 0.28 H new ATOM 0 HA SER A 50 0.567 1.818 -10.843 1.00 0.35 H new ATOM 0 HB2 SER A 50 0.763 4.194 -11.554 1.00 0.49 H new ATOM 0 HB3 SER A 50 2.116 4.422 -10.464 1.00 0.49 H new ATOM 0 HG SER A 50 2.802 3.973 -12.634 1.00 1.28 H new ATOM 723 N LEU A 51 3.031 1.077 -10.385 1.00 0.32 N ATOM 724 CA LEU A 51 4.193 0.338 -9.906 1.00 0.27 C ATOM 725 C LEU A 51 5.365 0.487 -10.871 1.00 0.27 C ATOM 726 O LEU A 51 5.187 0.896 -12.019 1.00 0.42 O ATOM 727 CB LEU A 51 3.848 -1.142 -9.732 1.00 0.30 C ATOM 728 CG LEU A 51 2.801 -1.448 -8.657 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.405 -2.915 -8.706 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.331 -1.084 -7.277 1.00 0.32 C ATOM 0 H LEU A 51 2.851 0.974 -11.384 1.00 0.32 H new ATOM 0 HA LEU A 51 4.483 0.752 -8.940 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.489 -1.529 -10.686 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.762 -1.685 -9.491 1.00 0.30 H new ATOM 0 HG LEU A 51 1.915 -0.844 -8.855 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.660 -3.117 -7.936 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.986 -3.146 -9.685 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.284 -3.535 -8.532 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.574 -1.308 -6.526 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.231 -1.662 -7.069 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.568 -0.021 -7.247 1.00 0.32 H new ATOM 742 N ILE A 52 6.562 0.154 -10.400 1.00 0.24 N ATOM 743 CA ILE A 52 7.764 0.254 -11.221 1.00 0.24 C ATOM 744 C ILE A 52 8.274 -1.132 -11.621 1.00 0.23 C ATOM 745 O ILE A 52 8.877 -1.830 -10.807 1.00 0.28 O ATOM 746 CB ILE A 52 8.886 1.008 -10.478 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.406 2.401 -10.051 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.129 1.108 -11.351 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.967 3.279 -11.204 1.00 1.26 C ATOM 0 H ILE A 52 6.726 -0.188 -9.453 1.00 0.24 H new ATOM 0 HA ILE A 52 7.493 0.810 -12.118 1.00 0.24 H new ATOM 0 HB ILE A 52 9.145 0.447 -9.580 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.575 2.290 -9.354 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.210 2.902 -9.511 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.911 1.643 -10.811 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.480 0.107 -11.600 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.888 1.646 -12.268 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.642 4.246 -10.821 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.801 3.422 -11.891 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.141 2.801 -11.731 1.00 1.26 H new ATOM 761 N PRO A 53 8.039 -1.552 -12.883 1.00 0.31 N ATOM 762 CA PRO A 53 8.483 -2.864 -13.372 1.00 0.35 C ATOM 763 C PRO A 53 9.975 -3.086 -13.158 1.00 0.34 C ATOM 764 O PRO A 53 10.794 -2.225 -13.481 1.00 0.46 O ATOM 765 CB PRO A 53 8.161 -2.820 -14.868 1.00 0.43 C ATOM 766 CG PRO A 53 7.068 -1.815 -14.994 1.00 0.82 C ATOM 767 CD PRO A 53 7.329 -0.787 -13.927 1.00 0.47 C ATOM 0 HA PRO A 53 7.992 -3.680 -12.842 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.034 -2.530 -15.452 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.844 -3.797 -15.233 1.00 0.43 H new ATOM 0 HG2 PRO A 53 7.069 -1.359 -15.984 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.092 -2.280 -14.858 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.934 0.038 -14.303 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.402 -0.356 -13.549 1.00 0.47 H new ATOM 775 N GLY A 54 10.322 -4.248 -12.615 1.00 0.39 N ATOM 776 CA GLY A 54 11.716 -4.563 -12.362 1.00 0.41 C ATOM 777 C GLY A 54 12.105 -4.340 -10.915 1.00 0.39 C ATOM 778 O GLY A 54 13.227 -4.646 -10.513 1.00 0.49 O ATOM 0 H GLY A 54 9.662 -4.978 -12.345 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.905 -5.602 -12.630 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.347 -3.948 -13.004 1.00 0.41 H new ATOM 782 N SER A 55 11.173 -3.806 -10.130 1.00 0.35 N ATOM 783 CA SER A 55 11.424 -3.539 -8.718 1.00 0.35 C ATOM 784 C SER A 55 10.965 -4.708 -7.852 1.00 0.32 C ATOM 785 O SER A 55 10.266 -5.602 -8.326 1.00 0.36 O ATOM 786 CB SER A 55 10.712 -2.256 -8.286 1.00 0.37 C ATOM 787 OG SER A 55 10.982 -1.955 -6.928 1.00 1.23 O ATOM 0 H SER A 55 10.238 -3.550 -10.448 1.00 0.35 H new ATOM 0 HA SER A 55 12.498 -3.412 -8.583 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.035 -1.427 -8.916 1.00 0.37 H new ATOM 0 HB3 SER A 55 9.637 -2.367 -8.430 1.00 0.37 H new ATOM 0 HG SER A 55 11.419 -1.080 -6.868 1.00 1.23 H new ATOM 793 N ALA A 56 11.362 -4.692 -6.582 1.00 0.35 N ATOM 794 CA ALA A 56 10.998 -5.752 -5.647 1.00 0.36 C ATOM 795 C ALA A 56 9.488 -5.972 -5.603 1.00 0.32 C ATOM 796 O ALA A 56 9.006 -7.075 -5.864 1.00 0.34 O ATOM 797 CB ALA A 56 11.524 -5.425 -4.257 1.00 0.42 C ATOM 0 H ALA A 56 11.938 -3.954 -6.176 1.00 0.35 H new ATOM 0 HA ALA A 56 11.456 -6.677 -5.997 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.247 -6.222 -3.567 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.610 -5.335 -4.291 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.092 -4.484 -3.917 1.00 0.42 H new ATOM 803 N ALA A 57 8.750 -4.916 -5.275 1.00 0.30 N ATOM 804 CA ALA A 57 7.293 -4.990 -5.188 1.00 0.30 C ATOM 805 C ALA A 57 6.688 -5.598 -6.451 1.00 0.30 C ATOM 806 O ALA A 57 5.791 -6.440 -6.378 1.00 0.35 O ATOM 807 CB ALA A 57 6.711 -3.608 -4.941 1.00 0.32 C ATOM 0 H ALA A 57 9.137 -3.996 -5.064 1.00 0.30 H new ATOM 0 HA ALA A 57 7.041 -5.640 -4.350 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.625 -3.676 -4.878 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.104 -3.209 -4.006 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.986 -2.945 -5.762 1.00 0.32 H new ATOM 813 N ALA A 58 7.185 -5.168 -7.606 1.00 0.31 N ATOM 814 CA ALA A 58 6.689 -5.660 -8.888 1.00 0.33 C ATOM 815 C ALA A 58 7.038 -7.132 -9.102 1.00 0.34 C ATOM 816 O ALA A 58 6.266 -7.879 -9.704 1.00 0.44 O ATOM 817 CB ALA A 58 7.248 -4.815 -10.023 1.00 0.37 C ATOM 0 H ALA A 58 7.933 -4.478 -7.681 1.00 0.31 H new ATOM 0 HA ALA A 58 5.602 -5.577 -8.879 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.872 -5.190 -10.975 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.936 -3.779 -9.893 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.337 -4.870 -10.016 1.00 0.37 H new ATOM 823 N LEU A 59 8.202 -7.543 -8.607 1.00 0.35 N ATOM 824 CA LEU A 59 8.653 -8.924 -8.753 1.00 0.39 C ATOM 825 C LEU A 59 7.715 -9.895 -8.043 1.00 0.42 C ATOM 826 O LEU A 59 7.469 -10.999 -8.528 1.00 0.57 O ATOM 827 CB LEU A 59 10.074 -9.081 -8.207 1.00 0.47 C ATOM 828 CG LEU A 59 11.179 -8.476 -9.078 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.503 -8.471 -8.330 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.308 -9.244 -10.386 1.00 0.61 C ATOM 0 H LEU A 59 8.850 -6.940 -8.101 1.00 0.35 H new ATOM 0 HA LEU A 59 8.648 -9.162 -9.817 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.119 -8.621 -7.220 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.279 -10.143 -8.074 1.00 0.47 H new ATOM 0 HG LEU A 59 10.910 -7.445 -9.310 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.277 -8.038 -8.963 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.405 -7.878 -7.420 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.777 -9.493 -8.069 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.098 -8.800 -10.992 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.554 -10.284 -10.174 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.364 -9.198 -10.930 1.00 0.61 H new ATOM 842 N ASP A 60 7.194 -9.481 -6.892 1.00 0.44 N ATOM 843 CA ASP A 60 6.286 -10.321 -6.120 1.00 0.52 C ATOM 844 C ASP A 60 5.018 -10.627 -6.911 1.00 0.61 C ATOM 845 O ASP A 60 4.557 -11.768 -6.946 1.00 0.79 O ATOM 846 CB ASP A 60 5.926 -9.644 -4.796 1.00 0.74 C ATOM 847 CG ASP A 60 7.095 -9.605 -3.832 1.00 1.08 C ATOM 848 OD1 ASP A 60 8.125 -8.985 -4.173 1.00 1.32 O ATOM 849 OD2 ASP A 60 6.980 -10.187 -2.734 1.00 1.86 O ATOM 0 H ASP A 60 7.385 -8.570 -6.474 1.00 0.44 H new ATOM 0 HA ASP A 60 6.796 -11.261 -5.910 1.00 0.52 H new ATOM 0 HB2 ASP A 60 5.585 -8.627 -4.992 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.094 -10.175 -4.333 1.00 0.74 H new ATOM 854 N GLY A 61 4.459 -9.600 -7.544 1.00 0.72 N ATOM 855 CA GLY A 61 3.251 -9.779 -8.328 1.00 1.06 C ATOM 856 C GLY A 61 1.993 -9.725 -7.483 1.00 0.83 C ATOM 857 O GLY A 61 0.924 -9.360 -7.972 1.00 0.94 O ATOM 0 H GLY A 61 4.822 -8.647 -7.528 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.202 -9.006 -9.095 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.296 -10.738 -8.844 1.00 1.06 H new ATOM 861 N ARG A 62 2.123 -10.087 -6.210 1.00 0.63 N ATOM 862 CA ARG A 62 0.991 -10.081 -5.291 1.00 0.59 C ATOM 863 C ARG A 62 0.434 -8.672 -5.115 1.00 0.52 C ATOM 864 O ARG A 62 -0.702 -8.493 -4.678 1.00 0.69 O ATOM 865 CB ARG A 62 1.412 -10.648 -3.934 1.00 0.67 C ATOM 866 CG ARG A 62 1.859 -12.099 -3.996 1.00 0.81 C ATOM 867 CD ARG A 62 2.296 -12.604 -2.631 1.00 1.05 C ATOM 868 NE ARG A 62 1.239 -12.466 -1.634 1.00 1.31 N ATOM 869 CZ ARG A 62 1.384 -12.795 -0.353 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.536 -13.282 0.085 1.00 2.26 N ATOM 871 NH2 ARG A 62 0.375 -12.633 0.493 1.00 2.59 N ATOM 0 H ARG A 62 3.003 -10.389 -5.792 1.00 0.63 H new ATOM 0 HA ARG A 62 0.207 -10.708 -5.716 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.225 -10.043 -3.532 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.577 -10.563 -3.239 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.043 -12.717 -4.370 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.683 -12.197 -4.703 1.00 0.81 H new ATOM 0 HD2 ARG A 62 2.587 -13.651 -2.708 1.00 1.05 H new ATOM 0 HD3 ARG A 62 3.177 -12.051 -2.305 1.00 1.05 H new ATOM 0 HE ARG A 62 0.338 -12.096 -1.937 1.00 1.31 H new ATOM 0 HH11 ARG A 62 3.316 -13.406 -0.561 1.00 2.26 H new ATOM 0 HH12 ARG A 62 2.643 -13.533 1.068 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -0.513 -12.256 0.162 1.00 2.59 H new ATOM 0 HH22 ARG A 62 0.487 -12.886 1.475 1.00 2.59 H new ATOM 885 N ILE A 63 1.244 -7.676 -5.457 1.00 0.48 N ATOM 886 CA ILE A 63 0.834 -6.282 -5.342 1.00 0.48 C ATOM 887 C ILE A 63 0.009 -5.861 -6.554 1.00 0.49 C ATOM 888 O ILE A 63 0.548 -5.641 -7.639 1.00 0.59 O ATOM 889 CB ILE A 63 2.051 -5.342 -5.195 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.779 -5.599 -3.872 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.617 -3.885 -5.284 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.587 -6.880 -3.852 1.00 0.92 C ATOM 0 H ILE A 63 2.189 -7.809 -5.816 1.00 0.48 H new ATOM 0 HA ILE A 63 0.224 -6.199 -4.443 1.00 0.48 H new ATOM 0 HB ILE A 63 2.740 -5.550 -6.014 1.00 0.58 H new ATOM 0 HG12 ILE A 63 3.443 -4.760 -3.665 1.00 0.66 H new ATOM 0 HG13 ILE A 63 2.046 -5.631 -3.066 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.488 -3.239 -5.178 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.146 -3.704 -6.250 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.905 -3.668 -4.487 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.072 -6.989 -2.882 1.00 0.92 H new ATOM 0 HD12 ILE A 63 2.927 -7.730 -4.026 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.345 -6.844 -4.634 1.00 0.92 H new ATOM 904 N GLU A 64 -1.302 -5.753 -6.360 1.00 0.51 N ATOM 905 CA GLU A 64 -2.208 -5.364 -7.434 1.00 0.58 C ATOM 906 C GLU A 64 -2.450 -3.852 -7.417 1.00 0.56 C ATOM 907 O GLU A 64 -2.636 -3.266 -6.350 1.00 0.66 O ATOM 908 CB GLU A 64 -3.541 -6.103 -7.288 1.00 0.79 C ATOM 909 CG GLU A 64 -4.414 -6.046 -8.531 1.00 1.09 C ATOM 910 CD GLU A 64 -3.925 -6.970 -9.630 1.00 1.39 C ATOM 911 OE1 GLU A 64 -2.848 -6.700 -10.200 1.00 1.98 O ATOM 912 OE2 GLU A 64 -4.620 -7.966 -9.919 1.00 1.67 O ATOM 0 H GLU A 64 -1.761 -5.930 -5.466 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.749 -5.632 -8.385 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -3.342 -7.146 -7.043 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -4.092 -5.677 -6.449 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -5.437 -6.313 -8.265 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -4.439 -5.023 -8.906 1.00 1.09 H new ATOM 919 N PRO A 65 -2.447 -3.198 -8.598 1.00 0.56 N ATOM 920 CA PRO A 65 -2.675 -1.751 -8.696 1.00 0.64 C ATOM 921 C PRO A 65 -3.938 -1.313 -7.963 1.00 0.72 C ATOM 922 O PRO A 65 -4.817 -2.130 -7.684 1.00 1.44 O ATOM 923 CB PRO A 65 -2.824 -1.515 -10.200 1.00 0.77 C ATOM 924 CG PRO A 65 -2.054 -2.621 -10.831 1.00 0.83 C ATOM 925 CD PRO A 65 -2.219 -3.808 -9.923 1.00 0.62 C ATOM 0 HA PRO A 65 -1.867 -1.180 -8.239 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.871 -1.537 -10.503 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -2.429 -0.541 -10.490 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.431 -2.838 -11.831 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.003 -2.354 -10.938 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -3.059 -4.433 -10.227 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -1.332 -4.442 -9.926 1.00 0.62 H new ATOM 933 N ASN A 66 -4.021 -0.021 -7.657 1.00 0.60 N ATOM 934 CA ASN A 66 -5.174 0.532 -6.953 1.00 0.59 C ATOM 935 C ASN A 66 -5.364 -0.153 -5.604 1.00 0.51 C ATOM 936 O ASN A 66 -6.480 -0.517 -5.230 1.00 0.73 O ATOM 937 CB ASN A 66 -6.437 0.384 -7.803 1.00 0.66 C ATOM 938 CG ASN A 66 -6.288 1.018 -9.172 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.882 0.361 -10.132 1.00 2.15 O ATOM 940 ND2 ASN A 66 -6.610 2.303 -9.269 1.00 2.01 N ATOM 0 H ASN A 66 -3.301 0.664 -7.886 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.990 1.592 -6.777 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.672 -0.674 -7.919 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.278 0.842 -7.283 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -6.525 2.784 -10.165 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -6.942 2.809 -8.448 1.00 2.01 H new ATOM 947 N ASP A 67 -4.263 -0.325 -4.880 1.00 0.36 N ATOM 948 CA ASP A 67 -4.299 -0.968 -3.572 1.00 0.34 C ATOM 949 C ASP A 67 -4.394 0.067 -2.455 1.00 0.30 C ATOM 950 O ASP A 67 -3.795 1.140 -2.537 1.00 0.38 O ATOM 951 CB ASP A 67 -3.055 -1.834 -3.376 1.00 0.41 C ATOM 952 CG ASP A 67 -2.963 -2.399 -1.973 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.504 -1.670 -1.070 1.00 1.46 O ATOM 954 OD2 ASP A 67 -3.351 -3.570 -1.778 1.00 2.02 O ATOM 0 H ASP A 67 -3.334 -0.028 -5.178 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.186 -1.600 -3.530 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.068 -2.653 -4.095 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.165 -1.240 -3.585 1.00 0.41 H new ATOM 959 N LYS A 68 -5.146 -0.266 -1.412 1.00 0.27 N ATOM 960 CA LYS A 68 -5.326 0.626 -0.276 1.00 0.28 C ATOM 961 C LYS A 68 -4.285 0.354 0.809 1.00 0.26 C ATOM 962 O LYS A 68 -4.413 -0.598 1.577 1.00 0.38 O ATOM 963 CB LYS A 68 -6.732 0.448 0.298 1.00 0.37 C ATOM 964 CG LYS A 68 -7.019 1.331 1.498 1.00 0.53 C ATOM 965 CD LYS A 68 -7.229 2.774 1.080 1.00 0.53 C ATOM 966 CE LYS A 68 -7.372 3.682 2.286 1.00 0.58 C ATOM 967 NZ LYS A 68 -6.108 3.776 3.065 1.00 1.02 N ATOM 0 H LYS A 68 -5.643 -1.153 -1.331 1.00 0.27 H new ATOM 0 HA LYS A 68 -5.196 1.652 -0.621 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.463 0.662 -0.482 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.868 -0.595 0.585 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -7.906 0.967 2.017 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.190 1.271 2.203 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -6.388 3.105 0.471 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.121 2.849 0.458 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.670 4.677 1.957 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -8.168 3.307 2.930 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -6.268 3.422 4.030 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -5.372 3.204 2.604 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -5.799 4.768 3.107 1.00 1.02 H new ATOM 981 N ILE A 69 -3.256 1.196 0.869 1.00 0.24 N ATOM 982 CA ILE A 69 -2.203 1.044 1.867 1.00 0.21 C ATOM 983 C ILE A 69 -2.700 1.478 3.243 1.00 0.21 C ATOM 984 O ILE A 69 -3.331 2.525 3.380 1.00 0.29 O ATOM 985 CB ILE A 69 -0.953 1.872 1.507 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.487 1.551 0.081 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.164 1.609 2.510 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.075 0.108 -0.120 1.00 0.28 C ATOM 0 H ILE A 69 -3.130 1.989 0.239 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.933 -0.012 1.885 1.00 0.21 H new ATOM 0 HB ILE A 69 -1.213 2.930 1.551 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.291 1.789 -0.616 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.354 2.197 -0.170 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.040 2.200 2.243 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.171 1.888 3.509 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.423 0.550 2.497 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.241 -0.040 -1.153 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.751 -0.131 0.550 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.920 -0.545 0.097 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.410 0.669 4.259 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.838 0.979 5.619 1.00 0.21 C ATOM 1002 C LEU A 70 -1.652 1.381 6.491 1.00 0.20 C ATOM 1003 O LEU A 70 -1.632 2.471 7.067 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.556 -0.223 6.237 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.796 -0.702 5.480 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.376 -1.942 6.144 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.842 0.403 5.408 1.00 0.38 C ATOM 0 H LEU A 70 -1.884 -0.200 4.167 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.528 1.821 5.570 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.850 -1.051 6.307 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.848 0.033 7.255 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.500 -0.959 4.463 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.258 -2.271 5.594 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.631 -2.737 6.144 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.656 -1.708 7.171 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.716 0.042 4.866 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.135 0.693 6.417 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.424 1.266 4.890 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.665 0.498 6.587 1.00 0.20 N ATOM 1020 CA ARG A 71 0.513 0.773 7.396 1.00 0.25 C ATOM 1021 C ARG A 71 1.706 -0.069 6.956 1.00 0.18 C ATOM 1022 O ARG A 71 1.569 -1.252 6.646 1.00 0.26 O ATOM 1023 CB ARG A 71 0.208 0.512 8.873 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.152 -0.932 9.175 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.238 -1.183 10.671 1.00 0.77 C ATOM 1026 NE ARG A 71 1.021 -0.883 11.345 1.00 1.38 N ATOM 1027 CZ ARG A 71 1.269 -1.181 12.617 1.00 1.65 C ATOM 1028 NH1 ARG A 71 0.348 -1.790 13.351 1.00 1.17 N ATOM 1029 NH2 ARG A 71 2.441 -0.872 13.155 1.00 2.61 N ATOM 0 H ARG A 71 -0.658 -0.408 6.118 1.00 0.20 H new ATOM 0 HA ARG A 71 0.774 1.822 7.257 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.076 0.793 9.469 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.615 1.155 9.184 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.107 -1.175 8.709 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.595 -1.594 8.736 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.033 -0.571 11.097 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.507 -2.224 10.850 1.00 0.77 H new ATOM 0 HE ARG A 71 1.754 -0.418 10.809 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -0.554 -2.031 12.940 1.00 1.17 H new ATOM 0 HH12 ARG A 71 0.541 -2.017 14.326 1.00 1.17 H new ATOM 0 HH21 ARG A 71 3.153 -0.405 12.593 1.00 2.61 H new ATOM 0 HH22 ARG A 71 2.630 -1.101 14.131 1.00 2.61 H new ATOM 1043 N VAL A 72 2.874 0.562 6.931 1.00 0.21 N ATOM 1044 CA VAL A 72 4.110 -0.107 6.549 1.00 0.17 C ATOM 1045 C VAL A 72 4.758 -0.744 7.780 1.00 0.17 C ATOM 1046 O VAL A 72 4.269 -0.572 8.895 1.00 0.20 O ATOM 1047 CB VAL A 72 5.093 0.891 5.895 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.222 0.167 5.177 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.352 1.811 4.935 1.00 0.28 C ATOM 0 H VAL A 72 2.990 1.546 7.174 1.00 0.21 H new ATOM 0 HA VAL A 72 3.872 -0.884 5.822 1.00 0.17 H new ATOM 0 HB VAL A 72 5.537 1.494 6.687 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.895 0.897 4.728 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.774 -0.445 5.891 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.807 -0.471 4.397 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.057 2.508 4.482 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.878 1.216 4.154 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.590 2.368 5.480 1.00 0.28 H new ATOM 1059 N ASP A 73 5.837 -1.495 7.575 1.00 0.18 N ATOM 1060 CA ASP A 73 6.542 -2.151 8.675 1.00 0.21 C ATOM 1061 C ASP A 73 6.779 -1.200 9.851 1.00 0.22 C ATOM 1062 O ASP A 73 7.568 -0.260 9.754 1.00 0.23 O ATOM 1063 CB ASP A 73 7.883 -2.696 8.184 1.00 0.26 C ATOM 1064 CG ASP A 73 8.521 -3.646 9.180 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.236 -4.859 9.109 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.309 -3.176 10.028 1.00 0.56 O ATOM 0 H ASP A 73 6.244 -1.665 6.655 1.00 0.18 H new ATOM 0 HA ASP A 73 5.912 -2.969 9.025 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.737 -3.213 7.236 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.562 -1.865 7.993 1.00 0.26 H new ATOM 1071 N ASP A 74 6.087 -1.458 10.960 1.00 0.25 N ATOM 1072 CA ASP A 74 6.221 -0.649 12.173 1.00 0.29 C ATOM 1073 C ASP A 74 5.990 0.837 11.901 1.00 0.25 C ATOM 1074 O ASP A 74 6.540 1.694 12.593 1.00 0.29 O ATOM 1075 CB ASP A 74 7.605 -0.856 12.792 1.00 0.35 C ATOM 1076 CG ASP A 74 7.804 -2.271 13.301 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.239 -3.132 12.509 1.00 2.01 O ATOM 1078 OD2 ASP A 74 7.522 -2.517 14.493 1.00 1.34 O ATOM 0 H ASP A 74 5.422 -2.227 11.044 1.00 0.25 H new ATOM 0 HA ASP A 74 5.453 -0.979 12.872 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.370 -0.629 12.050 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.741 -0.154 13.615 1.00 0.35 H new ATOM 1083 N VAL A 75 5.171 1.134 10.898 1.00 0.27 N ATOM 1084 CA VAL A 75 4.863 2.517 10.540 1.00 0.27 C ATOM 1085 C VAL A 75 3.437 2.634 10.010 1.00 0.37 C ATOM 1086 O VAL A 75 2.989 1.800 9.227 1.00 0.79 O ATOM 1087 CB VAL A 75 5.839 3.062 9.475 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.440 4.467 9.048 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.269 3.048 9.993 1.00 0.41 C ATOM 0 H VAL A 75 4.707 0.436 10.317 1.00 0.27 H new ATOM 0 HA VAL A 75 4.968 3.110 11.449 1.00 0.27 H new ATOM 0 HB VAL A 75 5.786 2.410 8.603 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.141 4.832 8.297 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.435 4.448 8.627 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.458 5.129 9.914 1.00 0.40 H new ATOM 0 HG21 VAL A 75 7.938 3.436 9.225 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.339 3.671 10.884 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.556 2.026 10.241 1.00 0.41 H new ATOM 1099 N ASN A 76 2.729 3.674 10.441 1.00 0.30 N ATOM 1100 CA ASN A 76 1.356 3.896 10.000 1.00 0.37 C ATOM 1101 C ASN A 76 1.300 5.011 8.960 1.00 0.42 C ATOM 1102 O ASN A 76 1.884 6.078 9.154 1.00 0.58 O ATOM 1103 CB ASN A 76 0.466 4.248 11.195 1.00 0.46 C ATOM 1104 CG ASN A 76 0.534 3.205 12.294 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.365 3.293 13.198 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.343 2.209 12.221 1.00 2.08 N ATOM 0 H ASN A 76 3.082 4.374 11.093 1.00 0.30 H new ATOM 0 HA ASN A 76 0.989 2.977 9.544 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.768 5.215 11.597 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.566 4.350 10.858 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -0.345 1.478 12.932 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.014 2.176 11.454 1.00 2.08 H new ATOM 1113 N VAL A 77 0.595 4.762 7.857 1.00 0.35 N ATOM 1114 CA VAL A 77 0.479 5.753 6.789 1.00 0.43 C ATOM 1115 C VAL A 77 -0.946 6.285 6.675 1.00 0.53 C ATOM 1116 O VAL A 77 -1.369 6.731 5.609 1.00 0.67 O ATOM 1117 CB VAL A 77 0.910 5.167 5.430 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.367 4.732 5.469 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.013 4.003 5.041 1.00 0.53 C ATOM 0 H VAL A 77 0.099 3.889 7.680 1.00 0.35 H new ATOM 0 HA VAL A 77 1.145 6.575 7.050 1.00 0.43 H new ATOM 0 HB VAL A 77 0.808 5.946 4.674 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.650 4.321 4.500 1.00 0.45 H new ATOM 0 HG12 VAL A 77 2.997 5.591 5.697 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.499 3.971 6.238 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.333 3.603 4.079 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.080 3.223 5.799 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -1.018 4.348 4.966 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.680 6.237 7.781 1.00 0.59 N ATOM 1130 CA GLN A 78 -3.058 6.718 7.807 1.00 0.72 C ATOM 1131 C GLN A 78 -3.129 8.160 8.303 1.00 0.61 C ATOM 1132 O GLN A 78 -4.114 8.564 8.922 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.915 5.817 8.695 1.00 0.93 C ATOM 1134 CG GLN A 78 -4.231 4.469 8.071 1.00 0.62 C ATOM 1135 CD GLN A 78 -5.206 4.578 6.914 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -5.093 3.665 5.957 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -6.051 5.472 6.882 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.345 5.870 8.672 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.444 6.689 6.788 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.399 5.657 9.642 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.849 6.330 8.924 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -3.307 4.009 7.721 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.648 3.809 8.832 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.102 6.153 7.640 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.700 5.532 6.098 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.082 8.933 8.027 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.056 10.322 8.453 1.00 0.48 C ATOM 1148 C GLY A 79 -0.722 10.993 8.185 1.00 0.41 C ATOM 1149 O GLY A 79 -0.261 11.810 8.982 1.00 0.55 O ATOM 0 H GLY A 79 -1.254 8.624 7.518 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.844 10.871 7.937 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.277 10.375 9.519 1.00 0.48 H new ATOM 1153 N MET A 80 -0.104 10.652 7.059 1.00 0.32 N ATOM 1154 CA MET A 80 1.183 11.232 6.689 1.00 0.33 C ATOM 1155 C MET A 80 1.143 11.777 5.265 1.00 0.30 C ATOM 1156 O MET A 80 0.516 11.190 4.383 1.00 0.34 O ATOM 1157 CB MET A 80 2.295 10.190 6.822 1.00 0.39 C ATOM 1158 CG MET A 80 2.422 9.612 8.222 1.00 0.46 C ATOM 1159 SD MET A 80 3.935 8.655 8.448 1.00 0.52 S ATOM 1160 CE MET A 80 3.786 7.455 7.126 1.00 0.48 C ATOM 0 H MET A 80 -0.472 9.978 6.388 1.00 0.32 H new ATOM 0 HA MET A 80 1.391 12.058 7.369 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.108 9.379 6.119 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.244 10.645 6.538 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.399 10.424 8.949 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.561 8.976 8.427 1.00 0.46 H new ATOM 0 HE1 MET A 80 3.790 6.449 7.546 1.00 0.48 H new ATOM 0 HE2 MET A 80 2.852 7.620 6.588 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.625 7.565 6.439 1.00 0.48 H new ATOM 1170 N ALA A 81 1.816 12.903 5.050 1.00 0.29 N ATOM 1171 CA ALA A 81 1.860 13.535 3.736 1.00 0.31 C ATOM 1172 C ALA A 81 2.500 12.616 2.702 1.00 0.26 C ATOM 1173 O ALA A 81 3.198 11.664 3.053 1.00 0.23 O ATOM 1174 CB ALA A 81 2.616 14.853 3.809 1.00 0.39 C ATOM 0 H ALA A 81 2.340 13.398 5.772 1.00 0.29 H new ATOM 0 HA ALA A 81 0.834 13.731 3.423 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.641 15.313 2.821 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.115 15.522 4.509 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.635 14.670 4.150 1.00 0.39 H new ATOM 1180 N GLN A 82 2.259 12.907 1.427 1.00 0.33 N ATOM 1181 CA GLN A 82 2.809 12.105 0.340 1.00 0.35 C ATOM 1182 C GLN A 82 4.324 11.977 0.469 1.00 0.31 C ATOM 1183 O GLN A 82 4.852 10.874 0.610 1.00 0.31 O ATOM 1184 CB GLN A 82 2.449 12.725 -1.012 1.00 0.42 C ATOM 1185 CG GLN A 82 2.954 11.926 -2.204 1.00 0.51 C ATOM 1186 CD GLN A 82 2.502 12.510 -3.529 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.184 13.353 -4.112 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.347 12.064 -4.008 1.00 0.74 N ATOM 0 H GLN A 82 1.686 13.693 1.121 1.00 0.33 H new ATOM 0 HA GLN A 82 2.373 11.108 0.401 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.365 12.819 -1.082 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.860 13.733 -1.061 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.043 11.891 -2.179 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.600 10.898 -2.124 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.816 11.364 -3.489 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.991 12.421 -4.895 1.00 0.74 H new ATOM 1197 N SER A 83 5.016 13.112 0.425 1.00 0.32 N ATOM 1198 CA SER A 83 6.472 13.131 0.531 1.00 0.35 C ATOM 1199 C SER A 83 6.947 12.429 1.801 1.00 0.30 C ATOM 1200 O SER A 83 8.063 11.913 1.850 1.00 0.35 O ATOM 1201 CB SER A 83 6.987 14.572 0.512 1.00 0.44 C ATOM 1202 OG SER A 83 6.626 15.227 -0.691 1.00 1.48 O ATOM 0 H SER A 83 4.591 14.033 0.316 1.00 0.32 H new ATOM 0 HA SER A 83 6.874 12.592 -0.327 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.580 15.118 1.363 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.072 14.575 0.620 1.00 0.44 H new ATOM 0 HG SER A 83 6.965 16.146 -0.677 1.00 1.48 H new ATOM 1208 N ASP A 84 6.098 12.414 2.823 1.00 0.24 N ATOM 1209 CA ASP A 84 6.443 11.777 4.089 1.00 0.24 C ATOM 1210 C ASP A 84 6.504 10.259 3.936 1.00 0.20 C ATOM 1211 O ASP A 84 7.510 9.632 4.270 1.00 0.24 O ATOM 1212 CB ASP A 84 5.428 12.158 5.169 1.00 0.27 C ATOM 1213 CG ASP A 84 5.843 11.679 6.545 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.683 10.474 6.828 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.329 12.510 7.341 1.00 0.97 O ATOM 0 H ASP A 84 5.169 12.834 2.800 1.00 0.24 H new ATOM 0 HA ASP A 84 7.429 12.131 4.390 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.308 13.241 5.185 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.456 11.733 4.917 1.00 0.27 H new ATOM 1220 N VAL A 85 5.421 9.673 3.427 1.00 0.19 N ATOM 1221 CA VAL A 85 5.353 8.229 3.229 1.00 0.22 C ATOM 1222 C VAL A 85 6.506 7.744 2.356 1.00 0.21 C ATOM 1223 O VAL A 85 7.076 6.680 2.599 1.00 0.24 O ATOM 1224 CB VAL A 85 4.020 7.806 2.580 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.912 6.290 2.514 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.843 8.397 3.343 1.00 0.30 C ATOM 0 H VAL A 85 4.580 10.177 3.145 1.00 0.19 H new ATOM 0 HA VAL A 85 5.424 7.772 4.216 1.00 0.22 H new ATOM 0 HB VAL A 85 3.996 8.193 1.561 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.964 6.012 2.053 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.735 5.892 1.920 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.960 5.878 3.522 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.911 8.088 2.870 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.862 8.042 4.374 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.912 9.485 3.332 1.00 0.30 H new ATOM 1236 N VAL A 86 6.843 8.530 1.337 1.00 0.22 N ATOM 1237 CA VAL A 86 7.933 8.182 0.436 1.00 0.25 C ATOM 1238 C VAL A 86 9.238 8.023 1.208 1.00 0.24 C ATOM 1239 O VAL A 86 9.881 6.976 1.143 1.00 0.26 O ATOM 1240 CB VAL A 86 8.120 9.245 -0.666 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.258 8.859 -1.599 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.829 9.440 -1.446 1.00 0.34 C ATOM 0 H VAL A 86 6.377 9.410 1.116 1.00 0.22 H new ATOM 0 HA VAL A 86 7.670 7.235 -0.036 1.00 0.25 H new ATOM 0 HB VAL A 86 8.378 10.190 -0.188 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.372 9.622 -2.369 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.184 8.776 -1.029 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.034 7.901 -2.069 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.981 10.194 -2.219 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.539 8.498 -1.910 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.041 9.769 -0.769 1.00 0.34 H new ATOM 1252 N GLU A 87 9.615 9.069 1.943 1.00 0.25 N ATOM 1253 CA GLU A 87 10.843 9.055 2.736 1.00 0.26 C ATOM 1254 C GLU A 87 10.951 7.773 3.553 1.00 0.24 C ATOM 1255 O GLU A 87 12.025 7.182 3.658 1.00 0.26 O ATOM 1256 CB GLU A 87 10.891 10.271 3.664 1.00 0.32 C ATOM 1257 CG GLU A 87 11.056 11.592 2.932 1.00 0.75 C ATOM 1258 CD GLU A 87 12.360 11.676 2.164 1.00 1.04 C ATOM 1259 OE1 GLU A 87 12.389 11.244 0.992 1.00 1.51 O ATOM 1260 OE2 GLU A 87 13.354 12.174 2.734 1.00 1.19 O ATOM 0 H GLU A 87 9.086 9.939 2.005 1.00 0.25 H new ATOM 0 HA GLU A 87 11.688 9.097 2.049 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.974 10.304 4.253 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.716 10.149 4.366 1.00 0.32 H new ATOM 0 HG2 GLU A 87 10.223 11.727 2.242 1.00 0.75 H new ATOM 0 HG3 GLU A 87 11.009 12.410 3.651 1.00 0.75 H new ATOM 1267 N VAL A 88 9.830 7.350 4.132 1.00 0.22 N ATOM 1268 CA VAL A 88 9.796 6.128 4.929 1.00 0.22 C ATOM 1269 C VAL A 88 10.288 4.941 4.115 1.00 0.23 C ATOM 1270 O VAL A 88 11.177 4.201 4.542 1.00 0.25 O ATOM 1271 CB VAL A 88 8.373 5.829 5.440 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.295 4.431 6.037 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.940 6.875 6.457 1.00 0.27 C ATOM 0 H VAL A 88 8.935 7.835 4.064 1.00 0.22 H new ATOM 0 HA VAL A 88 10.454 6.284 5.784 1.00 0.22 H new ATOM 0 HB VAL A 88 7.690 5.872 4.592 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.281 4.243 6.391 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.556 3.695 5.276 1.00 0.26 H new ATOM 0 HG13 VAL A 88 8.991 4.353 6.872 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.933 6.648 6.807 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.628 6.867 7.302 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.948 7.861 5.991 1.00 0.27 H new ATOM 1283 N LEU A 89 9.704 4.769 2.934 1.00 0.24 N ATOM 1284 CA LEU A 89 10.077 3.676 2.052 1.00 0.28 C ATOM 1285 C LEU A 89 11.572 3.712 1.747 1.00 0.32 C ATOM 1286 O LEU A 89 12.190 2.678 1.494 1.00 0.39 O ATOM 1287 CB LEU A 89 9.276 3.748 0.749 1.00 0.32 C ATOM 1288 CG LEU A 89 7.754 3.740 0.915 1.00 0.34 C ATOM 1289 CD1 LEU A 89 7.072 3.920 -0.431 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.293 2.450 1.577 1.00 0.35 C ATOM 0 H LEU A 89 8.970 5.375 2.568 1.00 0.24 H new ATOM 0 HA LEU A 89 9.849 2.738 2.558 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.562 4.655 0.216 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.561 2.905 0.120 1.00 0.32 H new ATOM 0 HG LEU A 89 7.475 4.574 1.559 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.991 3.912 -0.295 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.376 4.871 -0.868 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.360 3.106 -1.097 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.209 2.464 1.686 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.585 1.600 0.960 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.755 2.360 2.560 1.00 0.35 H new ATOM 1302 N ARG A 90 12.147 4.913 1.777 1.00 0.31 N ATOM 1303 CA ARG A 90 13.569 5.090 1.505 1.00 0.37 C ATOM 1304 C ARG A 90 14.401 4.732 2.734 1.00 0.37 C ATOM 1305 O ARG A 90 15.540 4.281 2.617 1.00 0.48 O ATOM 1306 CB ARG A 90 13.859 6.535 1.092 1.00 0.41 C ATOM 1307 CG ARG A 90 12.862 7.104 0.094 1.00 0.49 C ATOM 1308 CD ARG A 90 12.931 6.395 -1.249 1.00 0.72 C ATOM 1309 NE ARG A 90 11.946 6.921 -2.191 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.029 6.770 -3.510 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.042 6.100 -4.042 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.096 7.287 -4.299 1.00 2.10 N ATOM 0 H ARG A 90 11.648 5.777 1.987 1.00 0.31 H new ATOM 0 HA ARG A 90 13.842 4.423 0.687 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.864 7.163 1.983 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.859 6.585 0.661 1.00 0.41 H new ATOM 0 HG2 ARG A 90 11.854 7.016 0.499 1.00 0.49 H new ATOM 0 HG3 ARG A 90 13.057 8.167 -0.047 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.931 6.507 -1.668 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.763 5.328 -1.106 1.00 0.72 H new ATOM 0 HE ARG A 90 11.148 7.434 -1.815 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.760 5.699 -3.439 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.103 5.986 -5.054 1.00 1.82 H new ATOM 0 HH21 ARG A 90 10.314 7.801 -3.894 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.161 7.170 -5.310 1.00 2.10 H new ATOM 1326 N ASN A 91 13.822 4.941 3.912 1.00 0.32 N ATOM 1327 CA ASN A 91 14.506 4.646 5.165 1.00 0.36 C ATOM 1328 C ASN A 91 14.544 3.142 5.422 1.00 0.36 C ATOM 1329 O ASN A 91 15.342 2.661 6.229 1.00 0.42 O ATOM 1330 CB ASN A 91 13.809 5.356 6.326 1.00 0.38 C ATOM 1331 CG ASN A 91 13.777 6.861 6.148 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.694 7.449 5.575 1.00 1.11 O ATOM 1333 ND2 ASN A 91 12.717 7.493 6.639 1.00 1.14 N ATOM 0 H ASN A 91 12.879 5.314 4.025 1.00 0.32 H new ATOM 0 HA ASN A 91 15.531 5.009 5.087 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.789 4.982 6.417 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.322 5.114 7.257 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.640 8.506 6.548 1.00 1.14 H new ATOM 0 HD22 ASN A 91 11.980 6.965 7.107 1.00 1.14 H new ATOM 1340 N ALA A 92 13.672 2.410 4.735 1.00 0.32 N ATOM 1341 CA ALA A 92 13.602 0.959 4.884 1.00 0.34 C ATOM 1342 C ALA A 92 14.960 0.302 4.644 1.00 0.46 C ATOM 1343 O ALA A 92 15.734 0.105 5.581 1.00 0.55 O ATOM 1344 CB ALA A 92 12.559 0.385 3.936 1.00 0.32 C ATOM 0 H ALA A 92 13.003 2.798 4.069 1.00 0.32 H new ATOM 0 HA ALA A 92 13.309 0.742 5.911 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.515 -0.698 4.056 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.584 0.815 4.164 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.830 0.626 2.908 1.00 0.32 H new ATOM 1350 N GLY A 93 15.247 -0.036 3.388 1.00 0.53 N ATOM 1351 CA GLY A 93 16.513 -0.672 3.060 1.00 0.68 C ATOM 1352 C GLY A 93 16.694 -2.004 3.765 1.00 0.66 C ATOM 1353 O GLY A 93 17.807 -2.521 3.855 1.00 0.76 O ATOM 0 H GLY A 93 14.627 0.119 2.593 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.571 -0.824 1.982 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.332 -0.006 3.332 1.00 0.68 H new ATOM 1357 N ASN A 94 15.596 -2.556 4.267 1.00 0.54 N ATOM 1358 CA ASN A 94 15.629 -3.831 4.975 1.00 0.54 C ATOM 1359 C ASN A 94 14.334 -4.616 4.736 1.00 0.43 C ATOM 1360 O ASN A 94 13.411 -4.109 4.097 1.00 0.39 O ATOM 1361 CB ASN A 94 15.846 -3.579 6.474 1.00 0.59 C ATOM 1362 CG ASN A 94 15.047 -2.399 6.998 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.873 -2.169 6.422 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 15.480 -1.703 7.916 1.00 2.52 N flip ATOM 0 H ASN A 94 14.668 -2.139 4.197 1.00 0.54 H new ATOM 0 HA ASN A 94 16.456 -4.430 4.593 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.570 -4.474 7.031 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.906 -3.404 6.658 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.387 -1.914 8.331 1.00 2.52 H new ATOM 0 HD22 ASN A 94 14.931 -0.915 8.261 1.00 2.52 H new ATOM 1371 N PRO A 95 14.258 -5.885 5.201 1.00 0.41 N ATOM 1372 CA PRO A 95 13.046 -6.699 5.050 1.00 0.35 C ATOM 1373 C PRO A 95 11.860 -6.083 5.785 1.00 0.32 C ATOM 1374 O PRO A 95 11.705 -6.262 6.994 1.00 0.45 O ATOM 1375 CB PRO A 95 13.425 -8.047 5.678 1.00 0.44 C ATOM 1376 CG PRO A 95 14.915 -8.065 5.685 1.00 0.64 C ATOM 1377 CD PRO A 95 15.341 -6.637 5.861 1.00 0.51 C ATOM 0 HA PRO A 95 12.737 -6.783 4.008 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.025 -8.138 6.688 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.023 -8.879 5.099 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.295 -8.689 6.494 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.305 -8.478 4.755 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.434 -6.370 6.914 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.308 -6.444 5.396 1.00 0.51 H new ATOM 1385 N VAL A 96 11.027 -5.355 5.048 1.00 0.28 N ATOM 1386 CA VAL A 96 9.862 -4.699 5.632 1.00 0.33 C ATOM 1387 C VAL A 96 8.569 -5.416 5.266 1.00 0.28 C ATOM 1388 O VAL A 96 8.497 -6.121 4.260 1.00 0.30 O ATOM 1389 CB VAL A 96 9.758 -3.231 5.173 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.922 -2.417 5.713 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.703 -3.149 3.655 1.00 0.38 C ATOM 0 H VAL A 96 11.137 -5.204 4.045 1.00 0.28 H new ATOM 0 HA VAL A 96 9.998 -4.736 6.713 1.00 0.33 H new ATOM 0 HB VAL A 96 8.835 -2.811 5.572 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.830 -1.384 5.378 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.913 -2.447 6.803 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.859 -2.835 5.347 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.630 -2.105 3.349 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.608 -3.588 3.234 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.832 -3.695 3.292 1.00 0.38 H new ATOM 1401 N ARG A 97 7.550 -5.225 6.095 1.00 0.24 N ATOM 1402 CA ARG A 97 6.248 -5.832 5.871 1.00 0.22 C ATOM 1403 C ARG A 97 5.273 -4.792 5.332 1.00 0.18 C ATOM 1404 O ARG A 97 5.301 -3.630 5.745 1.00 0.18 O ATOM 1405 CB ARG A 97 5.716 -6.438 7.171 1.00 0.27 C ATOM 1406 CG ARG A 97 4.406 -7.189 7.005 1.00 0.69 C ATOM 1407 CD ARG A 97 3.941 -7.786 8.323 1.00 0.71 C ATOM 1408 NE ARG A 97 2.668 -8.486 8.188 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.960 -8.931 9.222 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.402 -8.748 10.459 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.809 -9.557 9.020 1.00 2.37 N ATOM 0 H ARG A 97 7.604 -4.649 6.935 1.00 0.24 H new ATOM 0 HA ARG A 97 6.352 -6.629 5.135 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.465 -7.118 7.578 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.578 -5.642 7.902 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.643 -6.513 6.620 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.530 -7.982 6.268 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.697 -8.478 8.694 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.842 -6.994 9.065 1.00 0.71 H new ATOM 0 HE ARG A 97 2.301 -8.643 7.249 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.286 -8.265 10.618 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.858 -9.090 11.251 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.465 -9.698 8.070 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.267 -9.898 9.814 1.00 2.37 H new ATOM 1425 N LEU A 98 4.417 -5.213 4.408 1.00 0.19 N ATOM 1426 CA LEU A 98 3.445 -4.312 3.801 1.00 0.18 C ATOM 1427 C LEU A 98 2.016 -4.718 4.152 1.00 0.18 C ATOM 1428 O LEU A 98 1.486 -5.683 3.603 1.00 0.30 O ATOM 1429 CB LEU A 98 3.613 -4.309 2.280 1.00 0.23 C ATOM 1430 CG LEU A 98 5.042 -4.100 1.773 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.125 -4.409 0.287 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.503 -2.675 2.041 1.00 0.37 C ATOM 0 H LEU A 98 4.376 -6.172 4.063 1.00 0.19 H new ATOM 0 HA LEU A 98 3.626 -3.312 4.195 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.243 -5.257 1.890 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.981 -3.525 1.864 1.00 0.23 H new ATOM 0 HG LEU A 98 5.701 -4.782 2.311 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.147 -4.256 -0.060 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.834 -5.445 0.114 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.453 -3.748 -0.260 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.521 -2.547 1.673 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.841 -1.976 1.529 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.477 -2.480 3.113 1.00 0.37 H new ATOM 1444 N LEU A 99 1.395 -3.977 5.066 1.00 0.18 N ATOM 1445 CA LEU A 99 0.021 -4.262 5.466 1.00 0.19 C ATOM 1446 C LEU A 99 -0.948 -3.389 4.677 1.00 0.19 C ATOM 1447 O LEU A 99 -0.991 -2.170 4.858 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.167 -4.034 6.968 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.519 -4.489 7.525 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.706 -5.986 7.321 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.636 -4.135 9.000 1.00 0.36 C ATOM 0 H LEU A 99 1.819 -3.180 5.541 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.188 -5.310 5.250 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.625 -4.559 7.502 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.043 -2.972 7.178 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.306 -3.966 6.981 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.672 -6.290 7.723 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.668 -6.216 6.256 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.912 -6.526 7.837 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.603 -4.466 9.378 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.840 -4.629 9.557 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.549 -3.056 9.123 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.726 -4.017 3.800 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.679 -3.287 2.973 1.00 0.23 C ATOM 1465 C LEU A 100 -3.970 -4.078 2.770 1.00 0.24 C ATOM 1466 O LEU A 100 -4.038 -5.271 3.067 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.042 -2.955 1.620 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.038 -3.993 1.103 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.750 -5.263 0.666 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.217 -3.420 -0.043 1.00 0.31 C ATOM 0 H LEU A 100 -1.715 -5.025 3.645 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.938 -2.363 3.490 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.835 -2.839 0.881 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.537 -1.992 1.700 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.361 -4.246 1.919 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.018 -5.984 0.303 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.289 -5.688 1.513 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.455 -5.029 -0.132 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.489 -4.171 -0.396 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.881 -3.134 -0.859 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.329 -2.543 0.304 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.991 -3.394 2.267 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.286 -4.013 2.011 1.00 0.29 C ATOM 1484 C ILE A 101 -6.665 -3.868 0.543 1.00 0.32 C ATOM 1485 O ILE A 101 -6.466 -2.810 -0.058 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.391 -3.388 2.889 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.771 -3.919 2.477 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.346 -1.872 2.791 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.921 -3.299 3.244 1.00 0.45 C ATOM 0 H ILE A 101 -4.946 -2.404 2.027 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.199 -5.070 2.262 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.214 -3.672 3.926 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.917 -3.736 1.412 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.792 -4.999 2.621 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.130 -1.444 3.415 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.375 -1.514 3.132 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.501 -1.570 1.755 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.862 -3.725 2.896 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.801 -3.504 4.308 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.928 -2.221 3.081 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.212 -4.933 -0.032 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.613 -4.915 -1.435 1.00 0.46 C ATOM 1503 C ARG A 102 -8.504 -6.108 -1.758 1.00 0.60 C ATOM 1504 O ARG A 102 -8.332 -7.193 -1.205 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.376 -4.918 -2.338 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.695 -4.919 -3.825 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.384 -3.633 -4.255 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.667 -3.620 -5.689 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.490 -2.752 -6.270 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.106 -1.826 -5.548 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.699 -2.811 -7.580 1.00 2.20 N ATOM 0 H ARG A 102 -7.388 -5.816 0.448 1.00 0.39 H new ATOM 0 HA ARG A 102 -8.182 -4.003 -1.618 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.769 -4.043 -2.108 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -5.772 -5.795 -2.106 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.774 -5.046 -4.394 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -7.335 -5.770 -4.059 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.315 -3.517 -3.700 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.753 -2.781 -4.002 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.208 -4.316 -6.277 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.950 -1.777 -4.541 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.736 -1.163 -5.999 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.228 -3.522 -8.140 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.330 -2.145 -8.026 1.00 2.20 H new