USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 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 30 SER OG : rot -137:sc= 0.0163 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.353 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0176 (180deg=-0.256) USER MOD Single : A 24 THR OG1 : rot 115:sc= 0.443 USER MOD Single : A 25 SER OG : rot -39:sc= 1.04 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -130:sc= -0.376 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= -0.0128 (180deg=-0.139) USER MOD Single : A 55 SER OG : rot -91:sc= 0.0361 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0382 K(o=0.038,f=-4.7!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.411 F(o=-1.3,f=-0.41) USER MOD Single : A 80 MET CE :methyl -118:sc= -3.48 (180deg=-4.1) 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 :FLIP amide:sc= -0.756 F(o=-1.9!,f=-0.76) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.705 F(o=-4.6!,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.667 -7.814 1.485 1.00 0.55 N ATOM 139 CA SER A 12 -9.840 -8.734 2.257 1.00 0.45 C ATOM 140 C SER A 12 -8.486 -8.105 2.567 1.00 0.39 C ATOM 141 O SER A 12 -7.957 -7.325 1.773 1.00 0.38 O ATOM 142 CB SER A 12 -9.649 -10.046 1.494 1.00 0.51 C ATOM 143 OG SER A 12 -8.819 -10.939 2.217 1.00 0.90 O ATOM 0 HA SER A 12 -10.348 -8.946 3.198 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.619 -10.510 1.314 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.207 -9.842 0.519 1.00 0.51 H new ATOM 0 HG SER A 12 -8.713 -11.771 1.710 1.00 0.90 H new ATOM 149 N LEU A 13 -7.930 -8.446 3.725 1.00 0.41 N ATOM 150 CA LEU A 13 -6.640 -7.910 4.142 1.00 0.40 C ATOM 151 C LEU A 13 -5.491 -8.734 3.569 1.00 0.45 C ATOM 152 O LEU A 13 -5.398 -9.938 3.807 1.00 0.68 O ATOM 153 CB LEU A 13 -6.550 -7.871 5.671 1.00 0.56 C ATOM 154 CG LEU A 13 -7.548 -6.935 6.354 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.527 -7.141 7.861 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.234 -5.487 6.009 1.00 0.79 C ATOM 0 H LEU A 13 -8.353 -9.092 4.392 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.556 -6.895 3.755 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.700 -8.880 6.055 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.541 -7.570 5.953 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.548 -7.169 5.990 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.243 -6.467 8.330 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.795 -8.172 8.091 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.528 -6.932 8.243 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -7.952 -4.832 6.502 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.227 -5.242 6.348 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.297 -5.348 4.930 1.00 0.79 H new ATOM 168 N TYR A 14 -4.621 -8.073 2.812 1.00 0.36 N ATOM 169 CA TYR A 14 -3.476 -8.736 2.198 1.00 0.50 C ATOM 170 C TYR A 14 -2.167 -8.221 2.790 1.00 0.31 C ATOM 171 O TYR A 14 -2.067 -7.056 3.181 1.00 0.37 O ATOM 172 CB TYR A 14 -3.487 -8.513 0.684 1.00 0.80 C ATOM 173 CG TYR A 14 -4.607 -9.238 -0.029 1.00 0.68 C ATOM 174 CD1 TYR A 14 -5.888 -8.698 -0.088 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.382 -10.462 -0.647 1.00 1.20 C ATOM 176 CE1 TYR A 14 -6.909 -9.360 -0.743 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.399 -11.128 -1.303 1.00 1.90 C ATOM 178 CZ TYR A 14 -6.660 -10.573 -1.348 1.00 1.98 C ATOM 179 OH TYR A 14 -7.675 -11.234 -2.000 1.00 2.73 O ATOM 0 H TYR A 14 -4.688 -7.076 2.609 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.551 -9.804 2.404 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.572 -7.445 0.484 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.533 -8.840 0.270 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.087 -7.748 0.385 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.395 -10.900 -0.614 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -7.898 -8.928 -0.781 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.207 -12.079 -1.778 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.333 -12.073 -2.372 1.00 2.73 H new ATOM 189 N SER A 15 -1.164 -9.092 2.851 1.00 0.43 N ATOM 190 CA SER A 15 0.135 -8.721 3.403 1.00 0.38 C ATOM 191 C SER A 15 1.271 -9.413 2.658 1.00 0.33 C ATOM 192 O SER A 15 1.193 -10.604 2.355 1.00 0.41 O ATOM 193 CB SER A 15 0.200 -9.079 4.887 1.00 0.59 C ATOM 194 OG SER A 15 -0.879 -8.503 5.600 1.00 1.19 O ATOM 0 H SER A 15 -1.225 -10.057 2.526 1.00 0.43 H new ATOM 0 HA SER A 15 0.252 -7.644 3.284 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.179 -10.163 5.004 1.00 0.59 H new ATOM 0 HB3 SER A 15 1.144 -8.731 5.307 1.00 0.59 H new ATOM 0 HG SER A 15 -0.814 -8.749 6.546 1.00 1.19 H new ATOM 200 N VAL A 16 2.325 -8.656 2.368 1.00 0.32 N ATOM 201 CA VAL A 16 3.485 -9.194 1.670 1.00 0.33 C ATOM 202 C VAL A 16 4.775 -8.721 2.330 1.00 0.31 C ATOM 203 O VAL A 16 4.936 -7.534 2.619 1.00 0.44 O ATOM 204 CB VAL A 16 3.498 -8.784 0.184 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.636 -9.477 -0.549 1.00 0.53 C ATOM 206 CG2 VAL A 16 2.163 -9.100 -0.469 1.00 0.56 C ATOM 0 H VAL A 16 2.398 -7.667 2.607 1.00 0.32 H new ATOM 0 HA VAL A 16 3.418 -10.280 1.730 1.00 0.33 H new ATOM 0 HB VAL A 16 3.659 -7.708 0.124 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.630 -9.176 -1.597 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.586 -9.195 -0.096 1.00 0.53 H new ATOM 0 HG13 VAL A 16 4.508 -10.557 -0.481 1.00 0.53 H new ATOM 0 HG21 VAL A 16 2.192 -8.803 -1.518 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.968 -10.170 -0.400 1.00 0.56 H new ATOM 0 HG23 VAL A 16 1.370 -8.553 0.041 1.00 0.56 H new ATOM 216 N GLU A 17 5.691 -9.653 2.566 1.00 0.33 N ATOM 217 CA GLU A 17 6.963 -9.330 3.200 1.00 0.34 C ATOM 218 C GLU A 17 8.044 -9.044 2.164 1.00 0.32 C ATOM 219 O GLU A 17 8.312 -9.864 1.286 1.00 0.38 O ATOM 220 CB GLU A 17 7.406 -10.476 4.110 1.00 0.45 C ATOM 221 CG GLU A 17 6.442 -10.751 5.252 1.00 0.71 C ATOM 222 CD GLU A 17 6.872 -11.929 6.107 1.00 1.18 C ATOM 223 OE1 GLU A 17 7.632 -11.716 7.075 1.00 1.74 O ATOM 224 OE2 GLU A 17 6.445 -13.064 5.809 1.00 1.42 O ATOM 0 H GLU A 17 5.576 -10.638 2.328 1.00 0.33 H new ATOM 0 HA GLU A 17 6.818 -8.430 3.797 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.517 -11.381 3.513 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.388 -10.243 4.522 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.363 -9.862 5.878 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.449 -10.945 4.846 1.00 0.71 H new ATOM 231 N LEU A 18 8.658 -7.872 2.275 1.00 0.31 N ATOM 232 CA LEU A 18 9.719 -7.470 1.359 1.00 0.34 C ATOM 233 C LEU A 18 11.019 -7.222 2.115 1.00 0.38 C ATOM 234 O LEU A 18 11.005 -6.857 3.292 1.00 0.68 O ATOM 235 CB LEU A 18 9.318 -6.209 0.587 1.00 0.40 C ATOM 236 CG LEU A 18 8.614 -6.451 -0.753 1.00 0.46 C ATOM 237 CD1 LEU A 18 9.521 -7.222 -1.701 1.00 0.81 C ATOM 238 CD2 LEU A 18 7.302 -7.193 -0.547 1.00 0.71 C ATOM 0 H LEU A 18 8.438 -7.181 2.993 1.00 0.31 H new ATOM 0 HA LEU A 18 9.875 -8.283 0.649 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.662 -5.610 1.219 1.00 0.40 H new ATOM 0 HB3 LEU A 18 10.214 -5.615 0.405 1.00 0.40 H new ATOM 0 HG LEU A 18 8.391 -5.483 -1.201 1.00 0.46 H new ATOM 0 HD11 LEU A 18 9.005 -7.385 -2.647 1.00 0.81 H new ATOM 0 HD12 LEU A 18 10.432 -6.650 -1.878 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.777 -8.184 -1.257 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.820 -7.354 -1.511 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.499 -8.155 -0.075 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.646 -6.602 0.093 1.00 0.71 H new ATOM 250 N PHE A 19 12.139 -7.422 1.432 1.00 0.41 N ATOM 251 CA PHE A 19 13.451 -7.223 2.037 1.00 0.43 C ATOM 252 C PHE A 19 14.261 -6.211 1.233 1.00 0.49 C ATOM 253 O PHE A 19 14.739 -6.520 0.143 1.00 0.59 O ATOM 254 CB PHE A 19 14.214 -8.549 2.102 1.00 0.48 C ATOM 255 CG PHE A 19 13.413 -9.693 2.660 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.545 -10.406 1.850 1.00 0.74 C ATOM 257 CD2 PHE A 19 13.523 -10.050 3.994 1.00 1.50 C ATOM 258 CE1 PHE A 19 11.802 -11.454 2.359 1.00 1.25 C ATOM 259 CE2 PHE A 19 12.782 -11.097 4.510 1.00 2.08 C ATOM 260 CZ PHE A 19 11.944 -11.816 3.690 1.00 1.94 C ATOM 0 H PHE A 19 12.166 -7.722 0.458 1.00 0.41 H new ATOM 0 HA PHE A 19 13.305 -6.842 3.048 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.551 -8.811 1.099 1.00 0.48 H new ATOM 0 HB3 PHE A 19 15.106 -8.413 2.713 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.448 -10.140 0.808 1.00 0.74 H new ATOM 0 HD2 PHE A 19 14.196 -9.504 4.639 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.113 -11.989 1.722 1.00 1.25 H new ATOM 0 HE2 PHE A 19 12.861 -11.350 5.557 1.00 2.08 H new ATOM 0 HZ PHE A 19 11.398 -12.661 4.082 1.00 1.94 H new ATOM 270 N ARG A 20 14.417 -5.001 1.768 1.00 0.52 N ATOM 271 CA ARG A 20 15.180 -3.972 1.067 1.00 0.66 C ATOM 272 C ARG A 20 16.611 -3.907 1.591 1.00 0.68 C ATOM 273 O ARG A 20 16.838 -3.773 2.793 1.00 0.83 O ATOM 274 CB ARG A 20 14.510 -2.603 1.203 1.00 0.73 C ATOM 275 CG ARG A 20 14.964 -1.608 0.145 1.00 0.99 C ATOM 276 CD ARG A 20 14.553 -0.187 0.492 1.00 1.19 C ATOM 277 NE ARG A 20 15.548 0.476 1.329 1.00 1.60 N ATOM 278 CZ ARG A 20 15.999 1.708 1.107 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.542 2.410 0.079 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.910 2.236 1.911 1.00 3.06 N ATOM 0 H ARG A 20 14.033 -4.713 2.668 1.00 0.52 H new ATOM 0 HA ARG A 20 15.206 -4.241 0.011 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.429 -2.726 1.137 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.725 -2.197 2.191 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.048 -1.658 0.041 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.538 -1.884 -0.820 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.411 0.384 -0.425 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.594 -0.202 1.010 1.00 1.19 H new ATOM 0 HE ARG A 20 15.919 -0.034 2.130 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.843 2.006 -0.544 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.890 3.354 -0.089 1.00 2.52 H new ATOM 0 HH21 ARG A 20 17.266 1.698 2.701 1.00 3.06 H new ATOM 0 HH22 ARG A 20 17.255 3.180 1.740 1.00 3.06 H new ATOM 294 N GLU A 21 17.574 -4.012 0.679 1.00 0.82 N ATOM 295 CA GLU A 21 18.985 -3.963 1.045 1.00 0.93 C ATOM 296 C GLU A 21 19.791 -3.194 0.006 1.00 1.16 C ATOM 297 O GLU A 21 20.735 -2.476 0.341 1.00 1.57 O ATOM 298 CB GLU A 21 19.545 -5.380 1.197 1.00 1.09 C ATOM 299 CG GLU A 21 21.001 -5.418 1.631 1.00 1.62 C ATOM 300 CD GLU A 21 21.226 -4.761 2.978 1.00 2.00 C ATOM 301 OE1 GLU A 21 21.474 -3.537 3.008 1.00 2.58 O ATOM 302 OE2 GLU A 21 21.155 -5.470 4.004 1.00 2.21 O ATOM 0 H GLU A 21 17.402 -4.132 -0.319 1.00 0.82 H new ATOM 0 HA GLU A 21 19.068 -3.443 1.999 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.943 -5.923 1.926 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.444 -5.905 0.247 1.00 1.09 H new ATOM 0 HG2 GLU A 21 21.336 -6.454 1.676 1.00 1.62 H new ATOM 0 HG3 GLU A 21 21.613 -4.918 0.880 1.00 1.62 H new ATOM 309 N LYS A 22 19.410 -3.348 -1.254 1.00 1.11 N ATOM 310 CA LYS A 22 20.090 -2.671 -2.352 1.00 1.40 C ATOM 311 C LYS A 22 19.847 -1.168 -2.297 1.00 1.31 C ATOM 312 O LYS A 22 18.840 -0.712 -1.755 1.00 1.38 O ATOM 313 CB LYS A 22 19.615 -3.229 -3.695 1.00 1.65 C ATOM 314 CG LYS A 22 20.081 -4.651 -3.966 1.00 2.00 C ATOM 315 CD LYS A 22 21.588 -4.718 -4.163 1.00 2.54 C ATOM 316 CE LYS A 22 22.055 -6.143 -4.402 1.00 3.05 C ATOM 317 NZ LYS A 22 21.760 -7.027 -3.240 1.00 3.72 N ATOM 0 H LYS A 22 18.630 -3.938 -1.543 1.00 1.11 H new ATOM 0 HA LYS A 22 21.160 -2.851 -2.251 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.526 -3.201 -3.725 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.973 -2.580 -4.495 1.00 1.65 H new ATOM 0 HG2 LYS A 22 19.793 -5.294 -3.134 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.580 -5.036 -4.854 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.873 -4.094 -5.010 1.00 2.54 H new ATOM 0 HD3 LYS A 22 22.089 -4.312 -3.284 1.00 2.54 H new ATOM 0 HE2 LYS A 22 21.568 -6.540 -5.293 1.00 3.05 H new ATOM 0 HE3 LYS A 22 23.127 -6.146 -4.597 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 22.306 -7.908 -3.326 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 22.023 -6.541 -2.359 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 20.744 -7.250 -3.223 1.00 3.72 H new ATOM 331 N ASP A 23 20.776 -0.403 -2.860 1.00 1.46 N ATOM 332 CA ASP A 23 20.668 1.051 -2.873 1.00 1.51 C ATOM 333 C ASP A 23 19.811 1.526 -4.044 1.00 1.31 C ATOM 334 O ASP A 23 20.257 2.324 -4.868 1.00 1.58 O ATOM 335 CB ASP A 23 22.058 1.685 -2.948 1.00 1.91 C ATOM 336 CG ASP A 23 22.925 1.322 -1.758 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.553 0.242 -1.787 1.00 2.58 O ATOM 338 OD2 ASP A 23 22.975 2.117 -0.796 1.00 2.87 O ATOM 0 H ASP A 23 21.614 -0.767 -3.314 1.00 1.46 H new ATOM 0 HA ASP A 23 20.184 1.363 -1.947 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.552 1.364 -3.865 1.00 1.91 H new ATOM 0 HB3 ASP A 23 21.957 2.769 -3.003 1.00 1.91 H new ATOM 343 N THR A 24 18.579 1.030 -4.112 1.00 1.02 N ATOM 344 CA THR A 24 17.662 1.408 -5.180 1.00 0.98 C ATOM 345 C THR A 24 16.794 2.592 -4.762 1.00 1.01 C ATOM 346 O THR A 24 16.245 3.302 -5.604 1.00 1.16 O ATOM 347 CB THR A 24 16.751 0.235 -5.588 1.00 1.17 C ATOM 348 OG1 THR A 24 16.021 -0.238 -4.449 1.00 1.38 O ATOM 349 CG2 THR A 24 17.567 -0.902 -6.182 1.00 1.19 C ATOM 0 H THR A 24 18.194 0.366 -3.440 1.00 1.02 H new ATOM 0 HA THR A 24 18.275 1.691 -6.036 1.00 0.98 H new ATOM 0 HB THR A 24 16.052 0.592 -6.344 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.065 -0.068 -4.580 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.902 -1.719 -6.463 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.098 -0.546 -7.065 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.287 -1.257 -5.445 1.00 1.19 H new ATOM 357 N SER A 25 16.678 2.790 -3.450 1.00 1.05 N ATOM 358 CA SER A 25 15.888 3.888 -2.897 1.00 1.35 C ATOM 359 C SER A 25 14.436 3.820 -3.361 1.00 1.17 C ATOM 360 O SER A 25 13.705 4.809 -3.288 1.00 1.39 O ATOM 361 CB SER A 25 16.503 5.234 -3.294 1.00 1.79 C ATOM 362 OG SER A 25 15.796 6.313 -2.707 1.00 2.45 O ATOM 0 H SER A 25 17.124 2.201 -2.747 1.00 1.05 H new ATOM 0 HA SER A 25 15.899 3.793 -1.811 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.547 5.266 -2.981 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.492 5.336 -4.379 1.00 1.79 H new ATOM 0 HG SER A 25 14.835 6.124 -2.728 1.00 2.45 H new ATOM 368 N SER A 26 14.020 2.649 -3.834 1.00 0.84 N ATOM 369 CA SER A 26 12.653 2.459 -4.307 1.00 0.72 C ATOM 370 C SER A 26 12.239 0.996 -4.202 1.00 0.58 C ATOM 371 O SER A 26 13.037 0.094 -4.460 1.00 0.69 O ATOM 372 CB SER A 26 12.521 2.933 -5.754 1.00 0.81 C ATOM 373 OG SER A 26 11.202 2.744 -6.236 1.00 1.40 O ATOM 0 H SER A 26 14.609 1.819 -3.900 1.00 0.84 H new ATOM 0 HA SER A 26 11.992 3.052 -3.675 1.00 0.72 H new ATOM 0 HB2 SER A 26 12.788 3.988 -5.820 1.00 0.81 H new ATOM 0 HB3 SER A 26 13.223 2.387 -6.384 1.00 0.81 H new ATOM 0 HG SER A 26 11.144 3.057 -7.163 1.00 1.40 H new ATOM 379 N LEU A 27 10.986 0.768 -3.823 1.00 0.42 N ATOM 380 CA LEU A 27 10.465 -0.586 -3.683 1.00 0.32 C ATOM 381 C LEU A 27 9.487 -0.908 -4.806 1.00 0.29 C ATOM 382 O LEU A 27 9.148 -2.069 -5.033 1.00 0.41 O ATOM 383 CB LEU A 27 9.781 -0.761 -2.325 1.00 0.35 C ATOM 384 CG LEU A 27 10.702 -0.626 -1.111 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.893 -0.660 0.176 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.747 -1.732 -1.111 1.00 0.43 C ATOM 0 H LEU A 27 10.313 1.503 -3.607 1.00 0.42 H new ATOM 0 HA LEU A 27 11.304 -1.278 -3.745 1.00 0.32 H new ATOM 0 HB2 LEU A 27 8.983 -0.023 -2.240 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.310 -1.744 -2.297 1.00 0.35 H new ATOM 0 HG LEU A 27 11.215 0.334 -1.172 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.563 -0.563 1.030 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.180 0.164 0.179 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.355 -1.606 0.243 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.394 -1.621 -0.241 1.00 0.43 H new ATOM 0 HD22 LEU A 27 11.251 -2.702 -1.073 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.346 -1.666 -2.019 1.00 0.43 H new ATOM 398 N GLY A 28 9.037 0.130 -5.507 1.00 0.29 N ATOM 399 CA GLY A 28 8.107 -0.065 -6.605 1.00 0.31 C ATOM 400 C GLY A 28 6.706 0.417 -6.278 1.00 0.29 C ATOM 401 O GLY A 28 5.755 0.104 -6.995 1.00 0.52 O ATOM 0 H GLY A 28 9.300 1.100 -5.334 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.473 0.465 -7.484 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.072 -1.124 -6.862 1.00 0.31 H new ATOM 405 N ILE A 29 6.579 1.182 -5.199 1.00 0.35 N ATOM 406 CA ILE A 29 5.283 1.705 -4.782 1.00 0.32 C ATOM 407 C ILE A 29 5.087 3.136 -5.270 1.00 0.30 C ATOM 408 O ILE A 29 5.783 4.052 -4.833 1.00 0.35 O ATOM 409 CB ILE A 29 5.134 1.672 -3.248 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.321 0.244 -2.727 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.777 2.221 -2.832 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.369 0.151 -1.217 1.00 0.84 C ATOM 0 H ILE A 29 7.357 1.453 -4.598 1.00 0.35 H new ATOM 0 HA ILE A 29 4.522 1.064 -5.228 1.00 0.32 H new ATOM 0 HB ILE A 29 5.907 2.304 -2.810 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.505 -0.378 -3.095 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.244 -0.166 -3.137 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.689 2.190 -1.746 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.681 3.251 -3.175 1.00 0.36 H new ATOM 0 HG23 ILE A 29 2.988 1.615 -3.277 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.503 -0.889 -0.921 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.202 0.745 -0.842 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.436 0.530 -0.799 1.00 0.84 H new ATOM 424 N SER A 30 4.134 3.322 -6.180 1.00 0.27 N ATOM 425 CA SER A 30 3.848 4.645 -6.725 1.00 0.29 C ATOM 426 C SER A 30 2.465 5.120 -6.296 1.00 0.28 C ATOM 427 O SER A 30 1.450 4.676 -6.835 1.00 0.35 O ATOM 428 CB SER A 30 3.939 4.624 -8.252 1.00 0.33 C ATOM 429 OG SER A 30 3.667 5.904 -8.796 1.00 0.95 O ATOM 0 H SER A 30 3.549 2.575 -6.554 1.00 0.27 H new ATOM 0 HA SER A 30 4.592 5.339 -6.334 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.934 4.300 -8.556 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.232 3.897 -8.652 1.00 0.33 H new ATOM 0 HG SER A 30 3.084 5.810 -9.578 1.00 0.95 H new ATOM 435 N ILE A 31 2.430 6.028 -5.325 1.00 0.25 N ATOM 436 CA ILE A 31 1.172 6.564 -4.825 1.00 0.27 C ATOM 437 C ILE A 31 0.893 7.949 -5.401 1.00 0.31 C ATOM 438 O ILE A 31 1.816 8.720 -5.665 1.00 0.41 O ATOM 439 CB ILE A 31 1.169 6.652 -3.287 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.385 7.442 -2.796 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.152 5.256 -2.680 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.347 7.761 -1.317 1.00 0.39 C ATOM 0 H ILE A 31 3.260 6.407 -4.870 1.00 0.25 H new ATOM 0 HA ILE A 31 0.389 5.876 -5.145 1.00 0.27 H new ATOM 0 HB ILE A 31 0.269 7.177 -2.967 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.289 6.872 -3.013 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.453 8.374 -3.358 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.150 5.332 -1.593 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.257 4.727 -3.008 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.037 4.708 -3.004 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.241 8.322 -1.043 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.462 8.358 -1.096 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.311 6.834 -0.746 1.00 0.39 H new ATOM 454 N SER A 32 -0.385 8.255 -5.597 1.00 0.37 N ATOM 455 CA SER A 32 -0.791 9.547 -6.139 1.00 0.44 C ATOM 456 C SER A 32 -1.572 10.346 -5.101 1.00 0.55 C ATOM 457 O SER A 32 -2.505 9.833 -4.483 1.00 0.59 O ATOM 458 CB SER A 32 -1.638 9.350 -7.395 1.00 0.48 C ATOM 459 OG SER A 32 -0.879 8.744 -8.428 1.00 1.32 O ATOM 0 H SER A 32 -1.159 7.625 -5.388 1.00 0.37 H new ATOM 0 HA SER A 32 0.107 10.106 -6.401 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.503 8.729 -7.161 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.020 10.313 -7.736 1.00 0.48 H new ATOM 0 HG SER A 32 -0.984 9.258 -9.256 1.00 1.32 H new ATOM 465 N GLY A 33 -1.183 11.604 -4.913 1.00 0.70 N ATOM 466 CA GLY A 33 -1.856 12.454 -3.948 1.00 0.87 C ATOM 467 C GLY A 33 -3.305 12.709 -4.312 1.00 0.88 C ATOM 468 O GLY A 33 -3.614 13.047 -5.456 1.00 0.95 O ATOM 0 H GLY A 33 -0.413 12.050 -5.412 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -1.808 11.989 -2.963 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -1.329 13.406 -3.877 1.00 0.87 H new ATOM 634 N ILE A 46 -3.981 7.585 1.200 1.00 0.46 N ATOM 635 CA ILE A 46 -2.880 7.047 0.407 1.00 0.39 C ATOM 636 C ILE A 46 -3.289 5.754 -0.287 1.00 0.39 C ATOM 637 O ILE A 46 -3.844 4.851 0.341 1.00 0.57 O ATOM 638 CB ILE A 46 -1.637 6.782 1.281 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.185 8.070 1.979 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.505 6.201 0.442 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.786 9.177 1.025 1.00 0.55 C ATOM 0 HA ILE A 46 -2.631 7.796 -0.345 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.905 6.053 2.046 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.992 8.428 2.618 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.341 7.842 2.629 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.363 6.021 1.077 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.829 5.261 -0.005 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.238 6.905 -0.346 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.479 10.054 1.594 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.043 8.840 0.402 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.635 9.434 0.391 1.00 0.55 H new ATOM 653 N TYR A 47 -3.014 5.667 -1.586 1.00 0.30 N ATOM 654 CA TYR A 47 -3.360 4.480 -2.358 1.00 0.30 C ATOM 655 C TYR A 47 -2.417 4.299 -3.546 1.00 0.26 C ATOM 656 O TYR A 47 -2.112 5.253 -4.262 1.00 0.29 O ATOM 657 CB TYR A 47 -4.810 4.569 -2.843 1.00 0.36 C ATOM 658 CG TYR A 47 -5.060 5.679 -3.841 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.144 7.006 -3.434 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.216 5.398 -5.192 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.376 8.018 -4.345 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.447 6.405 -6.109 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.526 7.713 -5.680 1.00 0.58 C ATOM 664 OH TYR A 47 -5.758 8.719 -6.591 1.00 0.70 O ATOM 0 H TYR A 47 -2.554 6.402 -2.123 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.254 3.612 -1.708 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -5.089 3.618 -3.296 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.462 4.716 -1.982 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.026 7.249 -2.388 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -5.156 4.375 -5.532 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.439 9.044 -4.012 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.565 6.169 -7.156 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.839 8.335 -7.489 1.00 0.70 H new ATOM 674 N VAL A 48 -1.956 3.066 -3.746 1.00 0.26 N ATOM 675 CA VAL A 48 -1.052 2.754 -4.847 1.00 0.25 C ATOM 676 C VAL A 48 -1.782 2.822 -6.184 1.00 0.28 C ATOM 677 O VAL A 48 -2.663 2.009 -6.465 1.00 0.39 O ATOM 678 CB VAL A 48 -0.427 1.354 -4.686 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.493 1.034 -5.855 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.327 1.258 -3.370 1.00 0.29 C ATOM 0 H VAL A 48 -2.195 2.267 -3.158 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.257 3.499 -4.827 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.232 0.619 -4.678 1.00 0.27 H new ATOM 0 HG11 VAL A 48 0.922 0.041 -5.719 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.077 1.059 -6.784 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.294 1.772 -5.901 1.00 0.29 H new ATOM 0 HG21 VAL A 48 0.762 0.263 -3.272 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.121 2.005 -3.350 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.360 1.437 -2.543 1.00 0.29 H new ATOM 690 N LYS A 49 -1.404 3.799 -7.002 1.00 0.31 N ATOM 691 CA LYS A 49 -2.018 3.989 -8.309 1.00 0.38 C ATOM 692 C LYS A 49 -1.300 3.169 -9.377 1.00 0.32 C ATOM 693 O LYS A 49 -1.907 2.751 -10.362 1.00 0.37 O ATOM 694 CB LYS A 49 -1.990 5.470 -8.688 1.00 0.49 C ATOM 695 CG LYS A 49 -2.747 5.792 -9.966 1.00 0.61 C ATOM 696 CD LYS A 49 -2.593 7.255 -10.343 1.00 0.84 C ATOM 697 CE LYS A 49 -3.454 7.622 -11.537 1.00 1.65 C ATOM 698 NZ LYS A 49 -3.126 6.798 -12.733 1.00 2.40 N ATOM 0 H LYS A 49 -0.672 4.474 -6.780 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.052 3.648 -8.252 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.413 6.053 -7.870 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -0.953 5.787 -8.802 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.379 5.164 -10.777 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.803 5.557 -9.835 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.865 7.880 -9.493 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -1.548 7.464 -10.571 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -4.505 7.488 -11.281 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.315 8.677 -11.774 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -3.623 7.178 -13.563 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -2.100 6.824 -12.902 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -3.425 5.815 -12.570 1.00 2.40 H new ATOM 712 N SER A 50 -0.006 2.942 -9.174 1.00 0.28 N ATOM 713 CA SER A 50 0.793 2.174 -10.124 1.00 0.35 C ATOM 714 C SER A 50 2.012 1.558 -9.448 1.00 0.28 C ATOM 715 O SER A 50 2.317 1.859 -8.292 1.00 0.25 O ATOM 716 CB SER A 50 1.237 3.067 -11.284 1.00 0.49 C ATOM 717 OG SER A 50 2.003 4.165 -10.819 1.00 1.28 O ATOM 0 H SER A 50 0.511 3.278 -8.362 1.00 0.28 H new ATOM 0 HA SER A 50 0.171 1.366 -10.509 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.825 2.483 -11.992 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.362 3.432 -11.822 1.00 0.49 H new ATOM 0 HG SER A 50 2.276 4.719 -11.580 1.00 1.28 H new ATOM 723 N LEU A 51 2.707 0.693 -10.180 1.00 0.32 N ATOM 724 CA LEU A 51 3.896 0.026 -9.661 1.00 0.27 C ATOM 725 C LEU A 51 5.065 0.178 -10.629 1.00 0.27 C ATOM 726 O LEU A 51 4.869 0.307 -11.837 1.00 0.42 O ATOM 727 CB LEU A 51 3.607 -1.458 -9.421 1.00 0.30 C ATOM 728 CG LEU A 51 2.510 -1.749 -8.396 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.121 -3.218 -8.435 1.00 0.40 C ATOM 730 CD2 LEU A 51 2.970 -1.357 -6.999 1.00 0.32 C ATOM 0 H LEU A 51 2.466 0.437 -11.138 1.00 0.32 H new ATOM 0 HA LEU A 51 4.166 0.494 -8.714 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.326 -1.915 -10.370 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.527 -1.943 -9.093 1.00 0.30 H new ATOM 0 HG LEU A 51 1.633 -1.154 -8.651 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.339 -3.407 -7.699 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.752 -3.470 -9.429 1.00 0.40 H new ATOM 0 HD13 LEU A 51 2.992 -3.831 -8.205 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.178 -1.571 -6.282 1.00 0.32 H new ATOM 0 HD22 LEU A 51 3.861 -1.927 -6.736 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.201 -0.292 -6.978 1.00 0.32 H new ATOM 742 N ILE A 52 6.280 0.161 -10.089 1.00 0.24 N ATOM 743 CA ILE A 52 7.481 0.296 -10.904 1.00 0.24 C ATOM 744 C ILE A 52 7.898 -1.055 -11.491 1.00 0.23 C ATOM 745 O ILE A 52 8.289 -1.960 -10.755 1.00 0.28 O ATOM 746 CB ILE A 52 8.652 0.874 -10.081 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.243 2.202 -9.431 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.881 1.062 -10.960 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.854 3.280 -10.423 1.00 1.26 C ATOM 0 H ILE A 52 6.458 0.055 -9.090 1.00 0.24 H new ATOM 0 HA ILE A 52 7.244 0.984 -11.716 1.00 0.24 H new ATOM 0 HB ILE A 52 8.903 0.167 -9.291 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.405 2.022 -8.758 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.070 2.566 -8.820 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.696 1.470 -10.363 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.182 0.100 -11.375 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.646 1.750 -11.772 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.578 4.187 -9.885 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.697 3.490 -11.081 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.006 2.939 -11.017 1.00 1.26 H new ATOM 761 N PRO A 53 7.818 -1.211 -12.828 1.00 0.31 N ATOM 762 CA PRO A 53 8.185 -2.465 -13.502 1.00 0.35 C ATOM 763 C PRO A 53 9.632 -2.872 -13.232 1.00 0.34 C ATOM 764 O PRO A 53 10.548 -2.057 -13.343 1.00 0.46 O ATOM 765 CB PRO A 53 7.991 -2.148 -14.991 1.00 0.43 C ATOM 766 CG PRO A 53 7.053 -0.992 -15.019 1.00 0.82 C ATOM 767 CD PRO A 53 7.361 -0.189 -13.788 1.00 0.47 C ATOM 0 HA PRO A 53 7.582 -3.302 -13.149 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.939 -1.899 -15.468 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.579 -3.004 -15.526 1.00 0.43 H new ATOM 0 HG2 PRO A 53 7.193 -0.396 -15.921 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.016 -1.329 -15.018 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.131 0.559 -13.977 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.482 0.343 -13.423 1.00 0.47 H new ATOM 775 N GLY A 54 9.827 -4.139 -12.873 1.00 0.39 N ATOM 776 CA GLY A 54 11.162 -4.639 -12.598 1.00 0.41 C ATOM 777 C GLY A 54 11.612 -4.365 -11.176 1.00 0.39 C ATOM 778 O GLY A 54 12.785 -4.541 -10.847 1.00 0.49 O ATOM 0 H GLY A 54 9.083 -4.828 -12.768 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.187 -5.713 -12.781 1.00 0.41 H new ATOM 0 HA3 GLY A 54 11.867 -4.180 -13.292 1.00 0.41 H new ATOM 782 N SER A 55 10.681 -3.934 -10.329 1.00 0.35 N ATOM 783 CA SER A 55 10.999 -3.639 -8.936 1.00 0.35 C ATOM 784 C SER A 55 10.593 -4.793 -8.025 1.00 0.32 C ATOM 785 O SER A 55 9.912 -5.723 -8.456 1.00 0.36 O ATOM 786 CB SER A 55 10.304 -2.353 -8.490 1.00 0.37 C ATOM 787 OG SER A 55 10.744 -1.956 -7.203 1.00 1.23 O ATOM 0 H SER A 55 9.705 -3.782 -10.582 1.00 0.35 H new ATOM 0 HA SER A 55 12.078 -3.504 -8.861 1.00 0.35 H new ATOM 0 HB2 SER A 55 10.507 -1.558 -9.208 1.00 0.37 H new ATOM 0 HB3 SER A 55 9.225 -2.504 -8.478 1.00 0.37 H new ATOM 0 HG SER A 55 10.164 -2.355 -6.521 1.00 1.23 H new ATOM 793 N ALA A 56 11.012 -4.725 -6.764 1.00 0.35 N ATOM 794 CA ALA A 56 10.696 -5.768 -5.793 1.00 0.36 C ATOM 795 C ALA A 56 9.191 -5.983 -5.674 1.00 0.32 C ATOM 796 O ALA A 56 8.700 -7.102 -5.829 1.00 0.34 O ATOM 797 CB ALA A 56 11.288 -5.420 -4.436 1.00 0.42 C ATOM 0 H ALA A 56 11.571 -3.958 -6.391 1.00 0.35 H new ATOM 0 HA ALA A 56 11.138 -6.699 -6.147 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.045 -6.206 -3.721 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.371 -5.331 -4.523 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.873 -4.473 -4.090 1.00 0.42 H new ATOM 803 N ALA A 57 8.466 -4.901 -5.395 1.00 0.30 N ATOM 804 CA ALA A 57 7.015 -4.959 -5.248 1.00 0.30 C ATOM 805 C ALA A 57 6.363 -5.699 -6.413 1.00 0.30 C ATOM 806 O ALA A 57 5.473 -6.525 -6.216 1.00 0.35 O ATOM 807 CB ALA A 57 6.443 -3.554 -5.136 1.00 0.32 C ATOM 0 H ALA A 57 8.863 -3.970 -5.266 1.00 0.30 H new ATOM 0 HA ALA A 57 6.794 -5.512 -4.335 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.360 -3.610 -5.027 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.870 -3.055 -4.266 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.688 -2.989 -6.035 1.00 0.32 H new ATOM 813 N ALA A 58 6.814 -5.395 -7.626 1.00 0.31 N ATOM 814 CA ALA A 58 6.274 -6.026 -8.825 1.00 0.33 C ATOM 815 C ALA A 58 6.610 -7.514 -8.873 1.00 0.34 C ATOM 816 O ALA A 58 5.824 -8.320 -9.375 1.00 0.44 O ATOM 817 CB ALA A 58 6.797 -5.326 -10.070 1.00 0.37 C ATOM 0 H ALA A 58 7.553 -4.715 -7.805 1.00 0.31 H new ATOM 0 HA ALA A 58 5.189 -5.931 -8.793 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.386 -5.807 -10.958 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.495 -4.279 -10.052 1.00 0.37 H new ATOM 0 HB3 ALA A 58 7.885 -5.390 -10.093 1.00 0.37 H new ATOM 823 N LEU A 59 7.779 -7.873 -8.350 1.00 0.35 N ATOM 824 CA LEU A 59 8.217 -9.266 -8.341 1.00 0.39 C ATOM 825 C LEU A 59 7.321 -10.120 -7.449 1.00 0.42 C ATOM 826 O LEU A 59 7.093 -11.296 -7.733 1.00 0.57 O ATOM 827 CB LEU A 59 9.672 -9.368 -7.870 1.00 0.47 C ATOM 828 CG LEU A 59 10.711 -8.780 -8.828 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.099 -8.844 -8.213 1.00 0.66 C ATOM 830 CD2 LEU A 59 10.685 -9.513 -10.163 1.00 0.61 C ATOM 0 H LEU A 59 8.439 -7.220 -7.928 1.00 0.35 H new ATOM 0 HA LEU A 59 8.146 -9.643 -9.361 1.00 0.39 H new ATOM 0 HB2 LEU A 59 9.762 -8.863 -6.908 1.00 0.47 H new ATOM 0 HB3 LEU A 59 9.910 -10.418 -7.702 1.00 0.47 H new ATOM 0 HG LEU A 59 10.460 -7.734 -9.006 1.00 0.53 H new ATOM 0 HD11 LEU A 59 12.825 -8.422 -8.908 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.112 -8.274 -7.284 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.357 -9.882 -8.005 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.431 -9.080 -10.830 1.00 0.61 H new ATOM 0 HD22 LEU A 59 10.909 -10.568 -10.003 1.00 0.61 H new ATOM 0 HD23 LEU A 59 9.697 -9.416 -10.612 1.00 0.61 H new ATOM 842 N ASP A 60 6.816 -9.526 -6.371 1.00 0.44 N ATOM 843 CA ASP A 60 5.944 -10.242 -5.446 1.00 0.52 C ATOM 844 C ASP A 60 4.707 -10.767 -6.166 1.00 0.61 C ATOM 845 O ASP A 60 4.322 -11.924 -6.001 1.00 0.79 O ATOM 846 CB ASP A 60 5.528 -9.333 -4.288 1.00 0.74 C ATOM 847 CG ASP A 60 6.715 -8.826 -3.495 1.00 1.08 C ATOM 848 OD1 ASP A 60 7.223 -9.580 -2.638 1.00 1.32 O ATOM 849 OD2 ASP A 60 7.136 -7.675 -3.730 1.00 1.86 O ATOM 0 H ASP A 60 6.995 -8.554 -6.118 1.00 0.44 H new ATOM 0 HA ASP A 60 6.500 -11.090 -5.046 1.00 0.52 H new ATOM 0 HB2 ASP A 60 4.967 -8.484 -4.680 1.00 0.74 H new ATOM 0 HB3 ASP A 60 4.858 -9.879 -3.624 1.00 0.74 H new ATOM 854 N GLY A 61 4.089 -9.902 -6.967 1.00 0.72 N ATOM 855 CA GLY A 61 2.903 -10.291 -7.709 1.00 1.06 C ATOM 856 C GLY A 61 1.632 -10.124 -6.902 1.00 0.83 C ATOM 857 O GLY A 61 0.578 -9.807 -7.451 1.00 0.94 O ATOM 0 H GLY A 61 4.389 -8.938 -7.115 1.00 0.72 H new ATOM 0 HA2 GLY A 61 2.834 -9.692 -8.617 1.00 1.06 H new ATOM 0 HA3 GLY A 61 2.998 -11.331 -8.020 1.00 1.06 H new ATOM 861 N ARG A 62 1.733 -10.340 -5.594 1.00 0.63 N ATOM 862 CA ARG A 62 0.583 -10.214 -4.706 1.00 0.59 C ATOM 863 C ARG A 62 0.131 -8.761 -4.611 1.00 0.52 C ATOM 864 O ARG A 62 -1.018 -8.479 -4.269 1.00 0.69 O ATOM 865 CB ARG A 62 0.929 -10.751 -3.315 1.00 0.67 C ATOM 866 CG ARG A 62 1.388 -12.199 -3.320 1.00 0.81 C ATOM 867 CD ARG A 62 1.708 -12.689 -1.917 1.00 1.05 C ATOM 868 NE ARG A 62 0.555 -12.587 -1.027 1.00 1.31 N ATOM 869 CZ ARG A 62 0.495 -13.157 0.172 1.00 1.93 C ATOM 870 NH1 ARG A 62 1.517 -13.872 0.623 1.00 2.26 N ATOM 871 NH2 ARG A 62 -0.589 -13.015 0.922 1.00 2.59 N ATOM 0 H ARG A 62 2.600 -10.603 -5.126 1.00 0.63 H new ATOM 0 HA ARG A 62 -0.236 -10.802 -5.119 1.00 0.59 H new ATOM 0 HB2 ARG A 62 1.713 -10.131 -2.880 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.055 -10.658 -2.671 1.00 0.67 H new ATOM 0 HG2 ARG A 62 0.611 -12.826 -3.757 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.271 -12.299 -3.951 1.00 0.81 H new ATOM 0 HD2 ARG A 62 2.041 -13.726 -1.962 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.534 -12.107 -1.509 1.00 1.05 H new ATOM 0 HE ARG A 62 -0.251 -12.047 -1.344 1.00 1.31 H new ATOM 0 HH11 ARG A 62 2.353 -13.986 0.049 1.00 2.26 H new ATOM 0 HH12 ARG A 62 1.467 -14.308 1.544 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -1.378 -12.468 0.579 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -0.634 -13.453 1.842 1.00 2.59 H new ATOM 885 N ILE A 63 1.042 -7.843 -4.919 1.00 0.48 N ATOM 886 CA ILE A 63 0.736 -6.419 -4.872 1.00 0.48 C ATOM 887 C ILE A 63 0.296 -5.911 -6.241 1.00 0.49 C ATOM 888 O ILE A 63 1.073 -5.918 -7.195 1.00 0.59 O ATOM 889 CB ILE A 63 1.951 -5.598 -4.395 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.428 -6.099 -3.031 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.597 -4.119 -4.330 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.747 -5.502 -2.590 1.00 0.92 C ATOM 0 H ILE A 63 1.997 -8.060 -5.203 1.00 0.48 H new ATOM 0 HA ILE A 63 -0.079 -6.291 -4.159 1.00 0.48 H new ATOM 0 HB ILE A 63 2.763 -5.726 -5.111 1.00 0.58 H new ATOM 0 HG12 ILE A 63 1.668 -5.870 -2.284 1.00 0.66 H new ATOM 0 HG13 ILE A 63 2.524 -7.184 -3.066 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.464 -3.552 -3.992 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.300 -3.772 -5.320 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.773 -3.972 -3.632 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.020 -5.904 -1.615 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.521 -5.753 -3.316 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.651 -4.418 -2.522 1.00 0.92 H new ATOM 904 N GLU A 64 -0.956 -5.474 -6.328 1.00 0.51 N ATOM 905 CA GLU A 64 -1.502 -4.962 -7.579 1.00 0.58 C ATOM 906 C GLU A 64 -1.923 -3.500 -7.422 1.00 0.56 C ATOM 907 O GLU A 64 -2.154 -3.035 -6.306 1.00 0.66 O ATOM 908 CB GLU A 64 -2.698 -5.810 -8.019 1.00 0.79 C ATOM 909 CG GLU A 64 -3.919 -5.651 -7.127 1.00 1.09 C ATOM 910 CD GLU A 64 -5.055 -6.577 -7.518 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.758 -6.270 -8.503 1.00 1.98 O ATOM 912 OE2 GLU A 64 -5.240 -7.609 -6.840 1.00 1.67 O ATOM 0 H GLU A 64 -1.612 -5.464 -5.547 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.727 -5.020 -8.344 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.967 -5.541 -9.040 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -2.403 -6.859 -8.033 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.636 -5.847 -6.093 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -4.265 -4.618 -7.173 1.00 1.09 H new ATOM 919 N PRO A 65 -2.028 -2.752 -8.538 1.00 0.56 N ATOM 920 CA PRO A 65 -2.426 -1.338 -8.503 1.00 0.64 C ATOM 921 C PRO A 65 -3.804 -1.142 -7.879 1.00 0.72 C ATOM 922 O PRO A 65 -4.470 -2.108 -7.506 1.00 1.44 O ATOM 923 CB PRO A 65 -2.442 -0.928 -9.982 1.00 0.77 C ATOM 924 CG PRO A 65 -2.533 -2.210 -10.735 1.00 0.83 C ATOM 925 CD PRO A 65 -1.777 -3.212 -9.915 1.00 0.62 C ATOM 0 HA PRO A 65 -1.748 -0.741 -7.893 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.290 -0.279 -10.203 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.540 -0.376 -10.249 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.571 -2.514 -10.867 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -2.101 -2.112 -11.731 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.141 -4.226 -10.077 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.714 -3.213 -10.155 1.00 0.62 H new ATOM 933 N ASN A 66 -4.226 0.116 -7.771 1.00 0.60 N ATOM 934 CA ASN A 66 -5.525 0.446 -7.189 1.00 0.59 C ATOM 935 C ASN A 66 -5.656 -0.142 -5.787 1.00 0.51 C ATOM 936 O ASN A 66 -6.740 -0.553 -5.373 1.00 0.73 O ATOM 937 CB ASN A 66 -6.658 -0.070 -8.081 1.00 0.66 C ATOM 938 CG ASN A 66 -6.635 0.551 -9.464 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.008 0.024 -10.383 1.00 2.15 O ATOM 940 ND2 ASN A 66 -7.319 1.679 -9.618 1.00 2.01 N ATOM 0 H ASN A 66 -3.686 0.925 -8.079 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.598 1.531 -7.118 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.581 -1.154 -8.171 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.616 0.143 -7.606 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -7.339 2.144 -10.526 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.825 2.081 -8.828 1.00 2.01 H new ATOM 947 N ASP A 67 -4.543 -0.174 -5.062 1.00 0.36 N ATOM 948 CA ASP A 67 -4.525 -0.716 -3.705 1.00 0.34 C ATOM 949 C ASP A 67 -4.563 0.404 -2.672 1.00 0.30 C ATOM 950 O ASP A 67 -4.125 1.521 -2.942 1.00 0.38 O ATOM 951 CB ASP A 67 -3.275 -1.573 -3.496 1.00 0.41 C ATOM 952 CG ASP A 67 -3.079 -1.969 -2.047 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.463 -1.185 -1.296 1.00 1.46 O ATOM 954 OD2 ASP A 67 -3.542 -3.063 -1.663 1.00 2.02 O ATOM 0 H ASP A 67 -3.640 0.169 -5.390 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.412 -1.336 -3.575 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.348 -2.472 -4.108 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.399 -1.023 -3.841 1.00 0.41 H new ATOM 959 N LYS A 68 -5.093 0.105 -1.488 1.00 0.27 N ATOM 960 CA LYS A 68 -5.171 1.098 -0.426 1.00 0.28 C ATOM 961 C LYS A 68 -4.221 0.746 0.714 1.00 0.26 C ATOM 962 O LYS A 68 -4.559 -0.042 1.597 1.00 0.38 O ATOM 963 CB LYS A 68 -6.602 1.212 0.098 1.00 0.37 C ATOM 964 CG LYS A 68 -6.766 2.282 1.163 1.00 0.53 C ATOM 965 CD LYS A 68 -8.226 2.497 1.521 1.00 0.53 C ATOM 966 CE LYS A 68 -8.381 3.606 2.547 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.809 3.853 2.885 1.00 1.02 N ATOM 0 H LYS A 68 -5.471 -0.810 -1.244 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.872 2.061 -0.841 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.270 1.432 -0.735 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.909 0.250 0.508 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -6.211 1.995 2.056 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.336 3.219 0.807 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.791 2.747 0.623 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.647 1.572 1.915 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.834 3.342 3.452 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.935 4.523 2.161 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.872 4.617 3.588 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -10.326 4.129 2.026 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -10.228 2.986 3.277 1.00 1.02 H new ATOM 981 N ILE A 69 -3.030 1.336 0.685 1.00 0.24 N ATOM 982 CA ILE A 69 -2.026 1.090 1.714 1.00 0.21 C ATOM 983 C ILE A 69 -2.542 1.500 3.089 1.00 0.21 C ATOM 984 O ILE A 69 -3.091 2.589 3.258 1.00 0.29 O ATOM 985 CB ILE A 69 -0.720 1.854 1.419 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.187 1.491 0.030 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.324 1.561 2.488 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.194 0.032 -0.120 1.00 0.28 C ATOM 0 H ILE A 69 -2.736 1.989 -0.041 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.820 0.020 1.708 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.935 2.922 1.435 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.944 1.737 -0.715 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.685 2.108 -0.186 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.239 2.109 2.263 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.055 1.872 3.462 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.536 0.492 2.506 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.562 -0.146 -1.130 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.974 -0.216 0.599 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.680 -0.593 0.063 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.361 0.619 4.066 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.807 0.886 5.427 1.00 0.21 C ATOM 1002 C LEU A 70 -1.640 1.322 6.305 1.00 0.20 C ATOM 1003 O LEU A 70 -1.592 2.463 6.773 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.472 -0.358 6.022 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.683 -0.885 5.248 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.137 -2.221 5.816 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.820 0.125 5.286 1.00 0.38 C ATOM 0 H LEU A 70 -1.908 -0.286 3.940 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.535 1.697 5.392 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.728 -1.152 6.086 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.784 -0.131 7.041 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.390 -1.034 4.209 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -5.999 -2.581 5.254 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.325 -2.944 5.738 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.413 -2.096 6.863 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.673 -0.266 4.731 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.112 0.305 6.321 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.491 1.061 4.834 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.694 0.414 6.523 1.00 0.20 N ATOM 1020 CA ARG A 71 0.463 0.718 7.353 1.00 0.25 C ATOM 1021 C ARG A 71 1.693 -0.079 6.926 1.00 0.18 C ATOM 1022 O ARG A 71 1.615 -1.282 6.665 1.00 0.26 O ATOM 1023 CB ARG A 71 0.147 0.438 8.823 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.355 -0.971 9.083 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.640 -1.194 10.559 1.00 0.77 C ATOM 1026 NE ARG A 71 -1.556 -0.192 11.096 1.00 1.38 N ATOM 1027 CZ ARG A 71 -2.198 -0.320 12.253 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -2.025 -1.406 12.996 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -3.014 0.639 12.668 1.00 2.61 N ATOM 0 H ARG A 71 -0.706 -0.531 6.139 1.00 0.20 H new ATOM 0 HA ARG A 71 0.689 1.776 7.224 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.045 0.610 9.417 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.603 1.150 9.166 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.262 -1.148 8.505 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.387 -1.692 8.741 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.066 -2.187 10.700 1.00 0.77 H new ATOM 0 HD3 ARG A 71 0.296 -1.166 11.117 1.00 0.77 H new ATOM 0 HE ARG A 71 -1.713 0.656 10.551 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.398 -2.146 12.680 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -2.519 -1.501 13.883 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -3.149 1.475 12.100 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -3.507 0.541 13.556 1.00 2.61 H new ATOM 1043 N VAL A 72 2.825 0.613 6.853 1.00 0.21 N ATOM 1044 CA VAL A 72 4.089 -0.006 6.481 1.00 0.17 C ATOM 1045 C VAL A 72 4.781 -0.560 7.726 1.00 0.17 C ATOM 1046 O VAL A 72 4.336 -0.309 8.846 1.00 0.20 O ATOM 1047 CB VAL A 72 5.018 1.013 5.782 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.231 0.329 5.166 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.251 1.794 4.725 1.00 0.28 C ATOM 0 H VAL A 72 2.891 1.612 7.049 1.00 0.21 H new ATOM 0 HA VAL A 72 3.880 -0.819 5.785 1.00 0.17 H new ATOM 0 HB VAL A 72 5.379 1.709 6.539 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.863 1.074 4.683 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.799 -0.177 5.947 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.901 -0.401 4.427 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.920 2.507 4.243 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.856 1.105 3.979 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.427 2.331 5.196 1.00 0.28 H new ATOM 1059 N ASP A 73 5.848 -1.328 7.530 1.00 0.18 N ATOM 1060 CA ASP A 73 6.595 -1.908 8.643 1.00 0.21 C ATOM 1061 C ASP A 73 6.875 -0.872 9.734 1.00 0.22 C ATOM 1062 O ASP A 73 7.548 0.130 9.492 1.00 0.23 O ATOM 1063 CB ASP A 73 7.914 -2.495 8.140 1.00 0.26 C ATOM 1064 CG ASP A 73 8.553 -3.433 9.146 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.201 -4.632 9.147 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.407 -2.970 9.930 1.00 0.56 O ATOM 0 H ASP A 73 6.216 -1.564 6.609 1.00 0.18 H new ATOM 0 HA ASP A 73 5.983 -2.699 9.076 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.737 -3.032 7.208 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.606 -1.684 7.914 1.00 0.26 H new ATOM 1071 N ASP A 74 6.338 -1.128 10.928 1.00 0.25 N ATOM 1072 CA ASP A 74 6.515 -0.251 12.090 1.00 0.29 C ATOM 1073 C ASP A 74 6.270 1.223 11.760 1.00 0.25 C ATOM 1074 O ASP A 74 6.702 2.108 12.501 1.00 0.29 O ATOM 1075 CB ASP A 74 7.917 -0.428 12.687 1.00 0.35 C ATOM 1076 CG ASP A 74 9.007 0.191 11.833 1.00 1.20 C ATOM 1077 OD1 ASP A 74 9.247 1.409 11.968 1.00 1.34 O ATOM 1078 OD2 ASP A 74 9.624 -0.543 11.032 1.00 2.01 O ATOM 0 H ASP A 74 5.766 -1.951 11.118 1.00 0.25 H new ATOM 0 HA ASP A 74 5.765 -0.547 12.823 1.00 0.29 H new ATOM 0 HB2 ASP A 74 7.942 0.021 13.680 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.121 -1.491 12.812 1.00 0.35 H new ATOM 1083 N VAL A 75 5.572 1.485 10.660 1.00 0.27 N ATOM 1084 CA VAL A 75 5.274 2.856 10.248 1.00 0.27 C ATOM 1085 C VAL A 75 3.928 2.931 9.533 1.00 0.37 C ATOM 1086 O VAL A 75 3.828 2.612 8.348 1.00 0.79 O ATOM 1087 CB VAL A 75 6.366 3.426 9.318 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.976 4.807 8.812 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.708 3.481 10.032 1.00 0.41 C ATOM 0 H VAL A 75 5.201 0.768 10.037 1.00 0.27 H new ATOM 0 HA VAL A 75 5.240 3.455 11.158 1.00 0.27 H new ATOM 0 HB VAL A 75 6.461 2.760 8.460 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.760 5.190 8.158 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.041 4.740 8.256 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.848 5.482 9.658 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.463 3.886 9.358 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.626 4.120 10.911 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.998 2.476 10.340 1.00 0.41 H new ATOM 1099 N ASN A 76 2.898 3.358 10.257 1.00 0.30 N ATOM 1100 CA ASN A 76 1.559 3.478 9.685 1.00 0.37 C ATOM 1101 C ASN A 76 1.456 4.717 8.802 1.00 0.42 C ATOM 1102 O ASN A 76 2.050 5.752 9.103 1.00 0.58 O ATOM 1103 CB ASN A 76 0.508 3.535 10.797 1.00 0.46 C ATOM 1104 CG ASN A 76 0.665 4.757 11.682 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.768 5.274 11.858 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.442 5.224 12.247 1.00 2.08 N ATOM 0 H ASN A 76 2.963 3.626 11.239 1.00 0.30 H new ATOM 0 HA ASN A 76 1.373 2.599 9.068 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.487 3.538 10.352 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.581 2.636 11.408 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -0.398 6.042 12.854 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.336 4.764 12.074 1.00 2.08 H new ATOM 1113 N VAL A 77 0.697 4.606 7.714 1.00 0.35 N ATOM 1114 CA VAL A 77 0.526 5.722 6.788 1.00 0.43 C ATOM 1115 C VAL A 77 -0.930 6.174 6.730 1.00 0.53 C ATOM 1116 O VAL A 77 -1.400 6.661 5.702 1.00 0.67 O ATOM 1117 CB VAL A 77 0.998 5.351 5.368 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.478 5.004 5.367 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.174 4.199 4.813 1.00 0.53 C ATOM 0 H VAL A 77 0.193 3.759 7.453 1.00 0.35 H new ATOM 0 HA VAL A 77 1.140 6.541 7.163 1.00 0.43 H new ATOM 0 HB VAL A 77 0.852 6.217 4.722 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.790 4.745 4.355 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.053 5.862 5.716 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.653 4.156 6.029 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.523 3.952 3.810 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.284 3.328 5.460 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.876 4.490 4.771 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.639 6.012 7.842 1.00 0.59 N ATOM 1130 CA GLN A 78 -3.043 6.400 7.917 1.00 0.72 C ATOM 1131 C GLN A 78 -3.191 7.847 8.377 1.00 0.61 C ATOM 1132 O GLN A 78 -4.062 8.164 9.188 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.800 5.472 8.870 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.865 4.031 8.392 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.630 3.882 7.090 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.921 3.983 5.972 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.843 3.680 7.090 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.265 5.615 8.704 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.468 6.313 6.917 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.321 5.500 9.848 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.814 5.849 9.001 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.852 3.650 8.260 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.338 3.419 9.159 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.348 3.609 7.973 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.344 3.583 6.207 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.338 8.723 7.856 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.401 10.123 8.229 1.00 0.48 C ATOM 1148 C GLY A 79 -1.093 10.856 8.001 1.00 0.41 C ATOM 1149 O GLY A 79 -0.815 11.856 8.663 1.00 0.55 O ATOM 0 H GLY A 79 -1.607 8.489 7.184 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -3.189 10.611 7.656 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.676 10.201 9.281 1.00 0.48 H new ATOM 1153 N MET A 80 -0.288 10.361 7.064 1.00 0.32 N ATOM 1154 CA MET A 80 0.993 10.986 6.755 1.00 0.33 C ATOM 1155 C MET A 80 1.019 11.480 5.312 1.00 0.30 C ATOM 1156 O MET A 80 0.539 10.802 4.404 1.00 0.34 O ATOM 1157 CB MET A 80 2.138 9.999 6.992 1.00 0.39 C ATOM 1158 CG MET A 80 2.142 9.398 8.389 1.00 0.46 C ATOM 1159 SD MET A 80 3.717 8.626 8.811 1.00 0.52 S ATOM 1160 CE MET A 80 3.927 7.497 7.437 1.00 0.48 C ATOM 0 H MET A 80 -0.500 9.532 6.508 1.00 0.32 H new ATOM 0 HA MET A 80 1.122 11.843 7.417 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.071 9.195 6.259 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.087 10.508 6.821 1.00 0.39 H new ATOM 0 HG2 MET A 80 1.918 10.178 9.116 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.347 8.656 8.463 1.00 0.46 H new ATOM 0 HE1 MET A 80 3.948 6.472 7.808 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.097 7.614 6.740 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.864 7.717 6.926 1.00 0.48 H new ATOM 1170 N ALA A 81 1.583 12.668 5.112 1.00 0.29 N ATOM 1171 CA ALA A 81 1.673 13.262 3.783 1.00 0.31 C ATOM 1172 C ALA A 81 2.462 12.370 2.832 1.00 0.26 C ATOM 1173 O ALA A 81 3.213 11.498 3.269 1.00 0.23 O ATOM 1174 CB ALA A 81 2.308 14.641 3.863 1.00 0.39 C ATOM 0 H ALA A 81 1.985 13.239 5.856 1.00 0.29 H new ATOM 0 HA ALA A 81 0.661 13.361 3.390 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.369 15.072 2.864 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.701 15.285 4.500 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.310 14.556 4.283 1.00 0.39 H new ATOM 1180 N GLN A 82 2.287 12.592 1.533 1.00 0.33 N ATOM 1181 CA GLN A 82 2.982 11.802 0.521 1.00 0.35 C ATOM 1182 C GLN A 82 4.490 11.817 0.753 1.00 0.31 C ATOM 1183 O GLN A 82 5.110 10.767 0.916 1.00 0.31 O ATOM 1184 CB GLN A 82 2.662 12.332 -0.878 1.00 0.42 C ATOM 1185 CG GLN A 82 3.331 11.544 -1.994 1.00 0.51 C ATOM 1186 CD GLN A 82 2.971 12.064 -3.373 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.643 12.944 -3.912 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.908 11.519 -3.951 1.00 0.74 N ATOM 0 H GLN A 82 1.670 13.312 1.156 1.00 0.33 H new ATOM 0 HA GLN A 82 2.634 10.772 0.600 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.582 12.312 -1.027 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.974 13.374 -0.943 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.413 11.586 -1.865 1.00 0.51 H new ATOM 0 HG3 GLN A 82 3.041 10.496 -1.918 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.381 10.792 -3.467 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.618 11.827 -4.879 1.00 0.74 H new ATOM 1197 N SER A 83 5.070 13.015 0.772 1.00 0.32 N ATOM 1198 CA SER A 83 6.507 13.175 0.979 1.00 0.35 C ATOM 1199 C SER A 83 6.982 12.388 2.198 1.00 0.30 C ATOM 1200 O SER A 83 8.106 11.887 2.223 1.00 0.35 O ATOM 1201 CB SER A 83 6.855 14.655 1.150 1.00 0.44 C ATOM 1202 OG SER A 83 6.178 15.212 2.263 1.00 1.48 O ATOM 0 H SER A 83 4.565 13.892 0.646 1.00 0.32 H new ATOM 0 HA SER A 83 7.017 12.783 0.099 1.00 0.35 H new ATOM 0 HB2 SER A 83 7.931 14.766 1.282 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.587 15.202 0.246 1.00 0.44 H new ATOM 0 HG SER A 83 6.418 16.158 2.352 1.00 1.48 H new ATOM 1208 N ASP A 84 6.119 12.280 3.205 1.00 0.24 N ATOM 1209 CA ASP A 84 6.457 11.553 4.424 1.00 0.24 C ATOM 1210 C ASP A 84 6.561 10.054 4.155 1.00 0.20 C ATOM 1211 O ASP A 84 7.513 9.402 4.581 1.00 0.24 O ATOM 1212 CB ASP A 84 5.411 11.818 5.509 1.00 0.27 C ATOM 1213 CG ASP A 84 5.821 11.251 6.854 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.743 10.017 7.028 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.221 12.042 7.735 1.00 0.97 O ATOM 0 H ASP A 84 5.183 12.686 3.201 1.00 0.24 H new ATOM 0 HA ASP A 84 7.427 11.909 4.771 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.252 12.892 5.603 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.459 11.381 5.208 1.00 0.27 H new ATOM 1220 N VAL A 85 5.577 9.512 3.446 1.00 0.19 N ATOM 1221 CA VAL A 85 5.565 8.090 3.125 1.00 0.22 C ATOM 1222 C VAL A 85 6.738 7.725 2.220 1.00 0.21 C ATOM 1223 O VAL A 85 7.239 6.601 2.254 1.00 0.24 O ATOM 1224 CB VAL A 85 4.248 7.680 2.435 1.00 0.27 C ATOM 1225 CG1 VAL A 85 4.141 6.166 2.340 1.00 0.32 C ATOM 1226 CG2 VAL A 85 3.052 8.256 3.177 1.00 0.30 C ATOM 0 H VAL A 85 4.779 10.034 3.084 1.00 0.19 H new ATOM 0 HA VAL A 85 5.653 7.550 4.067 1.00 0.22 H new ATOM 0 HB VAL A 85 4.251 8.087 1.424 1.00 0.27 H new ATOM 0 HG11 VAL A 85 3.205 5.897 1.850 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.978 5.778 1.760 1.00 0.32 H new ATOM 0 HG13 VAL A 85 4.163 5.736 3.341 1.00 0.32 H new ATOM 0 HG21 VAL A 85 2.133 7.955 2.674 1.00 0.30 H new ATOM 0 HG22 VAL A 85 3.045 7.882 4.201 1.00 0.30 H new ATOM 0 HG23 VAL A 85 3.120 9.344 3.188 1.00 0.30 H new ATOM 1236 N VAL A 86 7.174 8.689 1.415 1.00 0.22 N ATOM 1237 CA VAL A 86 8.286 8.478 0.497 1.00 0.25 C ATOM 1238 C VAL A 86 9.593 8.247 1.253 1.00 0.24 C ATOM 1239 O VAL A 86 10.237 7.209 1.092 1.00 0.26 O ATOM 1240 CB VAL A 86 8.448 9.676 -0.461 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.668 9.497 -1.351 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.193 9.854 -1.304 1.00 0.34 C ATOM 0 H VAL A 86 6.772 9.626 1.381 1.00 0.22 H new ATOM 0 HA VAL A 86 8.057 7.586 -0.086 1.00 0.25 H new ATOM 0 HB VAL A 86 8.595 10.575 0.138 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.761 10.354 -2.018 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.562 9.420 -0.732 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.557 8.588 -1.942 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.323 10.703 -1.975 1.00 0.34 H new ATOM 0 HG22 VAL A 86 7.017 8.952 -1.890 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.339 10.034 -0.651 1.00 0.34 H new ATOM 1252 N GLU A 87 9.982 9.218 2.078 1.00 0.25 N ATOM 1253 CA GLU A 87 11.214 9.110 2.853 1.00 0.26 C ATOM 1254 C GLU A 87 11.234 7.822 3.670 1.00 0.24 C ATOM 1255 O GLU A 87 12.282 7.199 3.832 1.00 0.26 O ATOM 1256 CB GLU A 87 11.382 10.321 3.774 1.00 0.32 C ATOM 1257 CG GLU A 87 10.277 10.462 4.804 1.00 0.75 C ATOM 1258 CD GLU A 87 10.439 11.693 5.674 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.257 11.651 6.617 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.750 12.701 5.409 1.00 1.51 O ATOM 0 H GLU A 87 9.464 10.084 2.226 1.00 0.25 H new ATOM 0 HA GLU A 87 12.048 9.086 2.152 1.00 0.26 H new ATOM 0 HB2 GLU A 87 12.339 10.244 4.289 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.418 11.226 3.167 1.00 0.32 H new ATOM 0 HG2 GLU A 87 9.315 10.507 4.294 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.261 9.575 5.437 1.00 0.75 H new ATOM 1267 N VAL A 88 10.071 7.425 4.182 1.00 0.22 N ATOM 1268 CA VAL A 88 9.961 6.204 4.977 1.00 0.22 C ATOM 1269 C VAL A 88 10.454 4.992 4.191 1.00 0.23 C ATOM 1270 O VAL A 88 11.345 4.268 4.638 1.00 0.25 O ATOM 1271 CB VAL A 88 8.507 5.952 5.428 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.356 4.553 6.013 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.071 7.003 6.438 1.00 0.27 C ATOM 0 H VAL A 88 9.193 7.930 4.061 1.00 0.22 H new ATOM 0 HA VAL A 88 10.587 6.344 5.859 1.00 0.22 H new ATOM 0 HB VAL A 88 7.862 6.026 4.553 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.323 4.398 6.324 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.623 3.813 5.259 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.014 4.446 6.875 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.043 6.809 6.744 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.723 6.962 7.310 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.134 7.992 5.984 1.00 0.27 H new ATOM 1283 N LEU A 89 9.863 4.777 3.021 1.00 0.24 N ATOM 1284 CA LEU A 89 10.231 3.651 2.171 1.00 0.28 C ATOM 1285 C LEU A 89 11.717 3.688 1.818 1.00 0.32 C ATOM 1286 O LEU A 89 12.328 2.651 1.561 1.00 0.39 O ATOM 1287 CB LEU A 89 9.391 3.656 0.893 1.00 0.32 C ATOM 1288 CG LEU A 89 7.878 3.597 1.111 1.00 0.34 C ATOM 1289 CD1 LEU A 89 7.140 3.824 -0.199 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.479 2.262 1.722 1.00 0.35 C ATOM 0 H LEU A 89 9.126 5.369 2.639 1.00 0.24 H new ATOM 0 HA LEU A 89 10.035 2.734 2.726 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.626 4.557 0.326 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.687 2.806 0.278 1.00 0.32 H new ATOM 0 HG LEU A 89 7.600 4.391 1.804 1.00 0.34 H new ATOM 0 HD11 LEU A 89 6.065 3.778 -0.024 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.401 4.804 -0.599 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.424 3.053 -0.915 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.399 2.238 1.870 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.772 1.453 1.052 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.980 2.137 2.682 1.00 0.35 H new ATOM 1302 N ARG A 90 12.291 4.888 1.806 1.00 0.31 N ATOM 1303 CA ARG A 90 13.705 5.054 1.479 1.00 0.37 C ATOM 1304 C ARG A 90 14.583 4.893 2.717 1.00 0.37 C ATOM 1305 O ARG A 90 15.791 4.679 2.607 1.00 0.48 O ATOM 1306 CB ARG A 90 13.946 6.426 0.849 1.00 0.41 C ATOM 1307 CG ARG A 90 13.087 6.688 -0.376 1.00 0.49 C ATOM 1308 CD ARG A 90 13.407 8.032 -1.005 1.00 0.72 C ATOM 1309 NE ARG A 90 12.470 8.370 -2.071 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.825 8.945 -3.215 1.00 1.59 C ATOM 1311 NH1 ARG A 90 14.099 9.234 -3.449 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.906 9.229 -4.128 1.00 2.10 N ATOM 0 H ARG A 90 11.801 5.757 2.018 1.00 0.31 H new ATOM 0 HA ARG A 90 13.975 4.276 0.765 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.750 7.198 1.593 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.997 6.510 0.571 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.245 5.896 -1.108 1.00 0.49 H new ATOM 0 HG3 ARG A 90 12.034 6.658 -0.096 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.380 8.807 -0.239 1.00 0.72 H new ATOM 0 HD3 ARG A 90 14.421 8.014 -1.405 1.00 0.72 H new ATOM 0 HE ARG A 90 11.484 8.152 -1.930 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.808 9.015 -2.750 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.369 9.675 -4.328 1.00 1.82 H new ATOM 0 HH21 ARG A 90 10.926 9.006 -3.952 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.179 9.670 -5.006 1.00 2.10 H new ATOM 1326 N ASN A 91 13.974 4.999 3.892 1.00 0.32 N ATOM 1327 CA ASN A 91 14.705 4.865 5.148 1.00 0.36 C ATOM 1328 C ASN A 91 14.696 3.418 5.632 1.00 0.36 C ATOM 1329 O ASN A 91 15.448 3.054 6.537 1.00 0.42 O ATOM 1330 CB ASN A 91 14.103 5.781 6.216 1.00 0.38 C ATOM 1331 CG ASN A 91 14.273 7.253 5.888 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.354 7.587 5.191 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 13.443 8.083 6.258 1.00 1.14 N flip ATOM 0 H ASN A 91 12.976 5.177 4.002 1.00 0.32 H new ATOM 0 HA ASN A 91 15.739 5.161 4.971 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.042 5.557 6.325 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.573 5.570 7.177 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.626 7.785 6.791 1.00 1.14 H new ATOM 0 HD22 ASN A 91 13.572 9.069 6.031 1.00 1.14 H new ATOM 1340 N ALA A 92 13.835 2.603 5.026 1.00 0.32 N ATOM 1341 CA ALA A 92 13.723 1.192 5.385 1.00 0.34 C ATOM 1342 C ALA A 92 15.089 0.507 5.400 1.00 0.46 C ATOM 1343 O ALA A 92 15.717 0.380 6.452 1.00 0.55 O ATOM 1344 CB ALA A 92 12.787 0.481 4.420 1.00 0.32 C ATOM 0 H ALA A 92 13.203 2.898 4.282 1.00 0.32 H new ATOM 0 HA ALA A 92 13.312 1.134 6.393 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.710 -0.571 4.696 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.800 0.941 4.465 1.00 0.32 H new ATOM 0 HB3 ALA A 92 13.179 0.562 3.406 1.00 0.32 H new ATOM 1350 N GLY A 93 15.544 0.064 4.230 1.00 0.53 N ATOM 1351 CA GLY A 93 16.831 -0.605 4.137 1.00 0.68 C ATOM 1352 C GLY A 93 16.873 -1.897 4.930 1.00 0.66 C ATOM 1353 O GLY A 93 17.949 -2.416 5.231 1.00 0.76 O ATOM 0 H GLY A 93 15.045 0.156 3.345 1.00 0.53 H new ATOM 0 HA2 GLY A 93 17.052 -0.817 3.091 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.612 0.065 4.498 1.00 0.68 H new ATOM 1357 N ASN A 94 15.699 -2.416 5.270 1.00 0.54 N ATOM 1358 CA ASN A 94 15.594 -3.652 6.038 1.00 0.54 C ATOM 1359 C ASN A 94 14.347 -4.446 5.630 1.00 0.43 C ATOM 1360 O ASN A 94 13.545 -3.970 4.823 1.00 0.39 O ATOM 1361 CB ASN A 94 15.558 -3.317 7.535 1.00 0.59 C ATOM 1362 CG ASN A 94 14.697 -2.107 7.846 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.634 -1.916 7.072 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.982 -1.354 8.776 1.00 2.52 N flip ATOM 0 H ASN A 94 14.802 -1.998 5.025 1.00 0.54 H new ATOM 0 HA ASN A 94 16.464 -4.275 5.830 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.180 -4.178 8.086 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.574 -3.135 7.886 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.808 -1.537 9.346 1.00 2.52 H new ATOM 0 HD22 ASN A 94 14.392 -0.546 8.977 1.00 2.52 H new ATOM 1371 N PRO A 95 14.182 -5.687 6.142 1.00 0.41 N ATOM 1372 CA PRO A 95 13.001 -6.507 5.843 1.00 0.35 C ATOM 1373 C PRO A 95 11.719 -5.837 6.325 1.00 0.32 C ATOM 1374 O PRO A 95 11.311 -6.013 7.474 1.00 0.45 O ATOM 1375 CB PRO A 95 13.250 -7.805 6.622 1.00 0.44 C ATOM 1376 CG PRO A 95 14.719 -7.838 6.855 1.00 0.64 C ATOM 1377 CD PRO A 95 15.137 -6.405 7.008 1.00 0.51 C ATOM 0 HA PRO A 95 12.870 -6.665 4.773 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.701 -7.812 7.563 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.921 -8.675 6.054 1.00 0.44 H new ATOM 0 HG2 PRO A 95 14.961 -8.414 7.748 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.237 -8.310 6.021 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.070 -6.073 8.044 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.168 -6.249 6.689 1.00 0.51 H new ATOM 1385 N VAL A 96 11.086 -5.069 5.444 1.00 0.28 N ATOM 1386 CA VAL A 96 9.858 -4.364 5.790 1.00 0.33 C ATOM 1387 C VAL A 96 8.619 -5.130 5.343 1.00 0.28 C ATOM 1388 O VAL A 96 8.621 -5.783 4.299 1.00 0.30 O ATOM 1389 CB VAL A 96 9.816 -2.958 5.164 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.837 -2.046 5.824 1.00 0.64 C ATOM 1391 CG2 VAL A 96 10.051 -3.033 3.662 1.00 0.38 C ATOM 0 H VAL A 96 11.403 -4.919 4.486 1.00 0.28 H new ATOM 0 HA VAL A 96 9.856 -4.279 6.877 1.00 0.33 H new ATOM 0 HB VAL A 96 8.825 -2.537 5.333 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.791 -1.057 5.367 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.617 -1.964 6.889 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.836 -2.461 5.690 1.00 0.64 H new ATOM 0 HG21 VAL A 96 10.018 -2.029 3.238 1.00 0.38 H new ATOM 0 HG22 VAL A 96 11.028 -3.476 3.468 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.276 -3.647 3.203 1.00 0.38 H new ATOM 1401 N ARG A 97 7.564 -5.038 6.143 1.00 0.24 N ATOM 1402 CA ARG A 97 6.307 -5.698 5.838 1.00 0.22 C ATOM 1403 C ARG A 97 5.318 -4.685 5.276 1.00 0.18 C ATOM 1404 O ARG A 97 5.287 -3.529 5.709 1.00 0.18 O ATOM 1405 CB ARG A 97 5.733 -6.363 7.091 1.00 0.27 C ATOM 1406 CG ARG A 97 4.496 -7.203 6.819 1.00 0.69 C ATOM 1407 CD ARG A 97 4.005 -7.896 8.080 1.00 0.71 C ATOM 1408 NE ARG A 97 2.829 -8.724 7.824 1.00 1.21 N ATOM 1409 CZ ARG A 97 2.040 -9.204 8.781 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.301 -8.944 10.056 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.988 -9.946 8.463 1.00 2.37 N ATOM 0 H ARG A 97 7.558 -4.507 7.014 1.00 0.24 H new ATOM 0 HA ARG A 97 6.486 -6.472 5.092 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.499 -6.994 7.541 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.486 -5.592 7.821 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.705 -6.569 6.420 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.722 -7.949 6.057 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.803 -8.516 8.488 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.765 -7.148 8.835 1.00 0.71 H new ATOM 0 HE ARG A 97 2.600 -8.947 6.855 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.109 -8.374 10.305 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.693 -9.314 10.787 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.784 -10.149 7.484 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.383 -10.314 9.197 1.00 2.37 H new ATOM 1425 N LEU A 98 4.517 -5.121 4.315 1.00 0.19 N ATOM 1426 CA LEU A 98 3.538 -4.247 3.682 1.00 0.18 C ATOM 1427 C LEU A 98 2.112 -4.684 4.006 1.00 0.18 C ATOM 1428 O LEU A 98 1.632 -5.693 3.491 1.00 0.30 O ATOM 1429 CB LEU A 98 3.746 -4.249 2.168 1.00 0.23 C ATOM 1430 CG LEU A 98 5.152 -3.863 1.703 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.333 -4.191 0.229 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.409 -2.385 1.950 1.00 0.37 C ATOM 0 H LEU A 98 4.525 -6.076 3.956 1.00 0.19 H new ATOM 0 HA LEU A 98 3.681 -3.239 4.072 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.515 -5.244 1.787 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.030 -3.561 1.718 1.00 0.23 H new ATOM 0 HG LEU A 98 5.875 -4.441 2.279 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.338 -3.910 -0.085 1.00 0.30 H new ATOM 0 HD12 LEU A 98 5.190 -5.260 0.074 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.601 -3.638 -0.359 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.414 -2.129 1.613 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.679 -1.792 1.399 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.319 -2.173 3.015 1.00 0.37 H new ATOM 1444 N LEU A 99 1.438 -3.918 4.858 1.00 0.18 N ATOM 1445 CA LEU A 99 0.063 -4.230 5.231 1.00 0.19 C ATOM 1446 C LEU A 99 -0.910 -3.360 4.441 1.00 0.19 C ATOM 1447 O LEU A 99 -1.133 -2.198 4.780 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.145 -4.020 6.734 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.491 -4.510 7.277 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.637 -6.009 7.072 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.633 -4.157 8.750 1.00 0.36 C ATOM 0 H LEU A 99 1.819 -3.082 5.301 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.129 -5.277 4.995 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.654 -4.531 7.271 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.047 -2.957 6.954 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.286 -4.009 6.725 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.599 -6.338 7.464 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.582 -6.238 6.008 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.835 -6.528 7.597 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.595 -4.513 9.118 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.830 -4.629 9.316 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.575 -3.075 8.872 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.486 -3.931 3.386 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.428 -3.201 2.542 1.00 0.23 C ATOM 1465 C LEU A 100 -3.732 -3.975 2.365 1.00 0.24 C ATOM 1466 O LEU A 100 -3.801 -5.170 2.648 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.798 -2.911 1.175 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.805 -3.964 0.673 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.501 -5.293 0.427 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.115 -3.483 -0.595 1.00 0.31 C ATOM 0 H LEU A 100 -1.318 -4.894 3.096 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.661 -2.258 3.037 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.596 -2.809 0.440 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.287 -1.949 1.226 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.050 -4.114 1.445 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.775 -6.024 0.071 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -1.947 -5.648 1.356 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.281 -5.162 -0.323 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.587 -4.243 -0.938 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.861 -3.302 -1.369 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.424 -2.559 -0.388 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.765 -3.281 1.895 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.067 -3.901 1.680 1.00 0.29 C ATOM 1484 C ILE A 101 -6.466 -3.847 0.207 1.00 0.32 C ATOM 1485 O ILE A 101 -6.251 -2.838 -0.473 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.163 -3.231 2.534 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.507 -3.937 2.327 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.274 -1.751 2.194 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.604 -3.440 3.245 1.00 0.45 C ATOM 0 H ILE A 101 -4.725 -2.290 1.656 1.00 0.25 H new ATOM 0 HA ILE A 101 -5.975 -4.943 1.987 1.00 0.29 H new ATOM 0 HB ILE A 101 -6.887 -3.320 3.585 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.822 -3.802 1.292 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.373 -5.007 2.482 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.052 -1.294 2.806 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.321 -1.260 2.392 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.528 -1.638 1.140 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.525 -3.986 3.040 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.310 -3.600 4.282 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.767 -2.376 3.074 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.046 -4.943 -0.275 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.484 -5.039 -1.663 1.00 0.46 C ATOM 1503 C ARG A 102 -8.916 -5.554 -1.746 1.00 0.60 C ATOM 1504 O ARG A 102 -9.281 -6.512 -1.065 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.555 -5.965 -2.452 1.00 0.70 C ATOM 1506 CG ARG A 102 -5.271 -5.295 -2.909 1.00 1.27 C ATOM 1507 CD ARG A 102 -5.546 -4.229 -3.957 1.00 1.35 C ATOM 1508 NE ARG A 102 -6.245 -4.775 -5.119 1.00 1.49 N ATOM 1509 CZ ARG A 102 -7.294 -4.191 -5.693 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -7.768 -3.050 -5.210 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -7.870 -4.749 -6.748 1.00 2.20 N ATOM 0 H ARG A 102 -7.224 -5.781 0.279 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.447 -4.040 -2.098 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.305 -6.827 -1.834 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.088 -6.343 -3.325 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -4.769 -4.845 -2.053 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -4.593 -6.044 -3.319 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -6.144 -3.431 -3.516 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -4.604 -3.782 -4.276 1.00 1.35 H new ATOM 0 HE ARG A 102 -5.909 -5.654 -5.512 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -7.328 -2.619 -4.397 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -8.572 -2.604 -5.652 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -7.509 -5.627 -7.121 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -8.674 -4.300 -7.187 1.00 2.20 H new