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 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 36:sc= 0.105 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.0638 (180deg=-0.381) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -41:sc= 1.08 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 170:sc=-0.00141 USER MOD Single : A 32 SER OG : rot -80:sc= -0.403 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.279 F(o=-1.5,f=-0.28) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.11) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.363 F(o=-1.2,f=-0.36) USER MOD Single : A 80 MET CE :methyl -115:sc= -2.74 (180deg=-4.03!) USER MOD Single : A 82 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.68) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.3) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.24 F(o=-2.1!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.924 -7.051 1.879 1.00 0.55 N ATOM 139 CA SER A 12 -10.176 -8.025 2.665 1.00 0.45 C ATOM 140 C SER A 12 -8.768 -7.515 2.959 1.00 0.39 C ATOM 141 O SER A 12 -8.133 -6.891 2.108 1.00 0.38 O ATOM 142 CB SER A 12 -10.103 -9.361 1.923 1.00 0.51 C ATOM 143 OG SER A 12 -9.333 -10.307 2.645 1.00 0.90 O ATOM 0 HA SER A 12 -10.697 -8.172 3.611 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.110 -9.750 1.768 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.665 -9.209 0.937 1.00 0.51 H new ATOM 0 HG SER A 12 -9.304 -11.152 2.149 1.00 0.90 H new ATOM 149 N LEU A 13 -8.288 -7.784 4.170 1.00 0.41 N ATOM 150 CA LEU A 13 -6.957 -7.349 4.580 1.00 0.40 C ATOM 151 C LEU A 13 -5.877 -8.274 4.026 1.00 0.45 C ATOM 152 O LEU A 13 -5.867 -9.473 4.307 1.00 0.68 O ATOM 153 CB LEU A 13 -6.859 -7.300 6.106 1.00 0.56 C ATOM 154 CG LEU A 13 -7.800 -6.308 6.789 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.721 -6.455 8.302 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.460 -4.886 6.373 1.00 0.79 C ATOM 0 H LEU A 13 -8.801 -8.301 4.884 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.796 -6.350 4.175 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -7.061 -8.297 6.499 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.834 -7.051 6.380 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.821 -6.526 6.476 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.397 -5.741 8.773 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.008 -7.468 8.585 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.701 -6.261 8.634 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.138 -4.190 6.867 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.434 -4.658 6.661 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.564 -4.788 5.292 1.00 0.79 H new ATOM 168 N TYR A 14 -4.968 -7.706 3.241 1.00 0.36 N ATOM 169 CA TYR A 14 -3.875 -8.471 2.651 1.00 0.50 C ATOM 170 C TYR A 14 -2.530 -8.000 3.200 1.00 0.31 C ATOM 171 O TYR A 14 -2.405 -6.872 3.678 1.00 0.37 O ATOM 172 CB TYR A 14 -3.895 -8.340 1.126 1.00 0.80 C ATOM 173 CG TYR A 14 -5.034 -9.086 0.465 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.895 -10.421 0.105 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.246 -8.458 0.200 1.00 0.71 C ATOM 176 CE1 TYR A 14 -5.929 -11.109 -0.500 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.284 -9.140 -0.404 1.00 1.34 C ATOM 178 CZ TYR A 14 -7.121 -10.465 -0.751 1.00 1.98 C ATOM 179 OH TYR A 14 -8.154 -11.146 -1.354 1.00 2.73 O ATOM 0 H TYR A 14 -4.967 -6.715 2.998 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.010 -9.520 2.916 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.962 -7.285 0.862 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.950 -8.709 0.726 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -3.963 -10.929 0.302 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.378 -7.421 0.471 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.804 -12.146 -0.775 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.219 -8.638 -0.604 1.00 1.34 H new ATOM 0 HH TYR A 14 -8.923 -10.548 -1.458 1.00 2.73 H new ATOM 189 N SER A 15 -1.525 -8.867 3.130 1.00 0.43 N ATOM 190 CA SER A 15 -0.196 -8.528 3.626 1.00 0.38 C ATOM 191 C SER A 15 0.888 -9.239 2.825 1.00 0.33 C ATOM 192 O SER A 15 0.809 -10.445 2.584 1.00 0.41 O ATOM 193 CB SER A 15 -0.074 -8.892 5.107 1.00 0.59 C ATOM 194 OG SER A 15 1.202 -8.542 5.615 1.00 1.19 O ATOM 0 H SER A 15 -1.605 -9.805 2.737 1.00 0.43 H new ATOM 0 HA SER A 15 -0.058 -7.453 3.509 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.849 -8.378 5.676 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.240 -9.962 5.237 1.00 0.59 H new ATOM 0 HG SER A 15 1.506 -7.712 5.192 1.00 1.19 H new ATOM 200 N VAL A 16 1.902 -8.483 2.414 1.00 0.32 N ATOM 201 CA VAL A 16 3.008 -9.034 1.643 1.00 0.33 C ATOM 202 C VAL A 16 4.342 -8.728 2.316 1.00 0.31 C ATOM 203 O VAL A 16 4.620 -7.582 2.670 1.00 0.44 O ATOM 204 CB VAL A 16 3.030 -8.477 0.207 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.133 -9.136 -0.607 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.676 -8.668 -0.460 1.00 0.56 C ATOM 0 H VAL A 16 1.979 -7.484 2.604 1.00 0.32 H new ATOM 0 HA VAL A 16 2.859 -10.113 1.599 1.00 0.33 H new ATOM 0 HB VAL A 16 3.238 -7.408 0.255 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.132 -8.729 -1.618 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.097 -8.940 -0.138 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.961 -10.212 -0.649 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.710 -8.269 -1.474 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.435 -9.730 -0.496 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.911 -8.142 0.112 1.00 0.56 H new ATOM 216 N GLU A 17 5.162 -9.759 2.486 1.00 0.33 N ATOM 217 CA GLU A 17 6.466 -9.599 3.118 1.00 0.34 C ATOM 218 C GLU A 17 7.564 -9.417 2.076 1.00 0.32 C ATOM 219 O GLU A 17 7.907 -10.352 1.352 1.00 0.38 O ATOM 220 CB GLU A 17 6.782 -10.812 3.996 1.00 0.45 C ATOM 221 CG GLU A 17 5.761 -11.048 5.096 1.00 0.71 C ATOM 222 CD GLU A 17 6.078 -12.274 5.930 1.00 1.18 C ATOM 223 OE1 GLU A 17 5.643 -13.380 5.546 1.00 1.42 O ATOM 224 OE2 GLU A 17 6.759 -12.128 6.966 1.00 1.74 O ATOM 0 H GLU A 17 4.947 -10.713 2.196 1.00 0.33 H new ATOM 0 HA GLU A 17 6.429 -8.704 3.739 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.838 -11.701 3.367 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.765 -10.678 4.447 1.00 0.45 H new ATOM 0 HG2 GLU A 17 5.721 -10.172 5.744 1.00 0.71 H new ATOM 0 HG3 GLU A 17 4.772 -11.161 4.651 1.00 0.71 H new ATOM 231 N LEU A 18 8.109 -8.208 2.004 1.00 0.31 N ATOM 232 CA LEU A 18 9.172 -7.904 1.055 1.00 0.34 C ATOM 233 C LEU A 18 10.463 -7.552 1.781 1.00 0.38 C ATOM 234 O LEU A 18 10.461 -7.306 2.988 1.00 0.68 O ATOM 235 CB LEU A 18 8.761 -6.757 0.134 1.00 0.40 C ATOM 236 CG LEU A 18 7.627 -7.082 -0.842 1.00 0.46 C ATOM 237 CD1 LEU A 18 7.471 -5.961 -1.850 1.00 0.81 C ATOM 238 CD2 LEU A 18 7.885 -8.404 -1.558 1.00 0.71 C ATOM 0 H LEU A 18 7.832 -7.422 2.592 1.00 0.31 H new ATOM 0 HA LEU A 18 9.345 -8.794 0.451 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.459 -5.909 0.748 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.633 -6.441 -0.439 1.00 0.40 H new ATOM 0 HG LEU A 18 6.703 -7.180 -0.273 1.00 0.46 H new ATOM 0 HD11 LEU A 18 6.662 -6.202 -2.540 1.00 0.81 H new ATOM 0 HD12 LEU A 18 7.239 -5.032 -1.328 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.400 -5.841 -2.408 1.00 0.81 H new ATOM 0 HD21 LEU A 18 7.065 -8.612 -2.245 1.00 0.71 H new ATOM 0 HD22 LEU A 18 8.819 -8.339 -2.116 1.00 0.71 H new ATOM 0 HD23 LEU A 18 7.956 -9.207 -0.825 1.00 0.71 H new ATOM 250 N PHE A 19 11.566 -7.534 1.041 1.00 0.41 N ATOM 251 CA PHE A 19 12.864 -7.213 1.620 1.00 0.43 C ATOM 252 C PHE A 19 13.771 -6.549 0.594 1.00 0.49 C ATOM 253 O PHE A 19 13.874 -7.007 -0.545 1.00 0.59 O ATOM 254 CB PHE A 19 13.528 -8.479 2.170 1.00 0.48 C ATOM 255 CG PHE A 19 13.782 -9.536 1.130 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.766 -10.389 0.731 1.00 0.74 C ATOM 257 CD2 PHE A 19 15.034 -9.672 0.550 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.994 -11.361 -0.226 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.267 -10.641 -0.408 1.00 2.08 C ATOM 260 CZ PHE A 19 14.257 -11.494 -0.786 1.00 1.94 C ATOM 0 H PHE A 19 11.587 -7.737 0.042 1.00 0.41 H new ATOM 0 HA PHE A 19 12.705 -6.511 2.439 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.475 -8.207 2.636 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.896 -8.898 2.953 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.785 -10.294 1.172 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.836 -9.014 0.850 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.192 -12.014 -0.537 1.00 1.25 H new ATOM 0 HE2 PHE A 19 16.244 -10.728 -0.860 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.446 -12.266 -1.517 1.00 1.94 H new ATOM 270 N ARG A 20 14.425 -5.462 0.996 1.00 0.52 N ATOM 271 CA ARG A 20 15.326 -4.753 0.097 1.00 0.66 C ATOM 272 C ARG A 20 16.777 -4.943 0.523 1.00 0.68 C ATOM 273 O ARG A 20 17.154 -4.621 1.648 1.00 0.83 O ATOM 274 CB ARG A 20 14.979 -3.263 0.048 1.00 0.73 C ATOM 275 CG ARG A 20 15.949 -2.435 -0.785 1.00 0.99 C ATOM 276 CD ARG A 20 16.069 -2.966 -2.206 1.00 1.19 C ATOM 277 NE ARG A 20 14.777 -3.025 -2.883 1.00 1.60 N ATOM 278 CZ ARG A 20 14.584 -3.632 -4.050 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.595 -4.229 -4.666 1.00 2.52 N ATOM 280 NH2 ARG A 20 13.377 -3.645 -4.601 1.00 3.06 N ATOM 0 H ARG A 20 14.348 -5.058 1.929 1.00 0.52 H new ATOM 0 HA ARG A 20 15.202 -5.171 -0.902 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.974 -3.146 -0.358 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.960 -2.870 1.064 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.612 -1.399 -0.811 1.00 0.99 H new ATOM 0 HG3 ARG A 20 16.931 -2.439 -0.311 1.00 0.99 H new ATOM 0 HD2 ARG A 20 16.746 -2.329 -2.774 1.00 1.19 H new ATOM 0 HD3 ARG A 20 16.512 -3.962 -2.184 1.00 1.19 H new ATOM 0 HE ARG A 20 13.978 -2.576 -2.436 1.00 1.60 H new ATOM 0 HH11 ARG A 20 16.524 -4.223 -4.245 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.444 -4.694 -5.561 1.00 2.52 H new ATOM 0 HH21 ARG A 20 12.596 -3.189 -4.129 1.00 3.06 H new ATOM 0 HH22 ARG A 20 13.230 -4.111 -5.496 1.00 3.06 H new ATOM 294 N GLU A 21 17.585 -5.476 -0.389 1.00 0.82 N ATOM 295 CA GLU A 21 18.997 -5.716 -0.117 1.00 0.93 C ATOM 296 C GLU A 21 19.871 -4.973 -1.120 1.00 1.16 C ATOM 297 O GLU A 21 21.022 -4.641 -0.832 1.00 1.57 O ATOM 298 CB GLU A 21 19.295 -7.215 -0.169 1.00 1.09 C ATOM 299 CG GLU A 21 20.703 -7.575 0.277 1.00 1.62 C ATOM 300 CD GLU A 21 20.946 -7.270 1.742 1.00 2.00 C ATOM 301 OE1 GLU A 21 21.335 -6.126 2.054 1.00 2.58 O ATOM 302 OE2 GLU A 21 20.749 -8.178 2.578 1.00 2.21 O ATOM 0 H GLU A 21 17.284 -5.750 -1.324 1.00 0.82 H new ATOM 0 HA GLU A 21 19.224 -5.343 0.882 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.578 -7.741 0.462 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.144 -7.571 -1.188 1.00 1.09 H new ATOM 0 HG2 GLU A 21 20.877 -8.636 0.097 1.00 1.62 H new ATOM 0 HG3 GLU A 21 21.424 -7.026 -0.329 1.00 1.62 H new ATOM 309 N LYS A 22 19.312 -4.716 -2.295 1.00 1.11 N ATOM 310 CA LYS A 22 20.030 -4.010 -3.350 1.00 1.40 C ATOM 311 C LYS A 22 20.195 -2.537 -2.996 1.00 1.31 C ATOM 312 O LYS A 22 19.594 -2.047 -2.039 1.00 1.38 O ATOM 313 CB LYS A 22 19.286 -4.146 -4.681 1.00 1.65 C ATOM 314 CG LYS A 22 19.243 -5.568 -5.219 1.00 2.00 C ATOM 315 CD LYS A 22 20.622 -6.048 -5.647 1.00 2.54 C ATOM 316 CE LYS A 22 20.561 -7.435 -6.267 1.00 3.05 C ATOM 317 NZ LYS A 22 19.676 -7.471 -7.464 1.00 3.72 N ATOM 0 H LYS A 22 18.360 -4.987 -2.543 1.00 1.11 H new ATOM 0 HA LYS A 22 21.019 -4.458 -3.448 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.265 -3.785 -4.554 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.763 -3.502 -5.420 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.846 -6.235 -4.454 1.00 2.00 H new ATOM 0 HG3 LYS A 22 18.561 -5.616 -6.068 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.046 -5.346 -6.365 1.00 2.54 H new ATOM 0 HD3 LYS A 22 21.287 -6.063 -4.784 1.00 2.54 H new ATOM 0 HE2 LYS A 22 21.565 -7.751 -6.549 1.00 3.05 H new ATOM 0 HE3 LYS A 22 20.199 -8.148 -5.526 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 19.865 -8.336 -8.010 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 18.681 -7.464 -7.161 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 19.862 -6.638 -8.059 1.00 3.72 H new ATOM 331 N ASP A 23 21.013 -1.833 -3.773 1.00 1.46 N ATOM 332 CA ASP A 23 21.256 -0.415 -3.539 1.00 1.51 C ATOM 333 C ASP A 23 20.343 0.443 -4.413 1.00 1.31 C ATOM 334 O ASP A 23 20.805 1.337 -5.123 1.00 1.58 O ATOM 335 CB ASP A 23 22.723 -0.077 -3.817 1.00 1.91 C ATOM 336 CG ASP A 23 23.088 1.326 -3.372 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.284 1.530 -2.155 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.173 2.222 -4.239 1.00 2.87 O ATOM 0 H ASP A 23 21.518 -2.222 -4.569 1.00 1.46 H new ATOM 0 HA ASP A 23 21.034 -0.197 -2.494 1.00 1.51 H new ATOM 0 HB2 ASP A 23 23.362 -0.796 -3.304 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.921 -0.180 -4.884 1.00 1.91 H new ATOM 343 N THR A 24 19.044 0.162 -4.356 1.00 1.02 N ATOM 344 CA THR A 24 18.066 0.908 -5.140 1.00 0.98 C ATOM 345 C THR A 24 17.307 1.904 -4.269 1.00 1.01 C ATOM 346 O THR A 24 16.781 2.903 -4.764 1.00 1.16 O ATOM 347 CB THR A 24 17.052 -0.031 -5.821 1.00 1.17 C ATOM 348 OG1 THR A 24 16.322 -0.763 -4.830 1.00 1.38 O ATOM 349 CG2 THR A 24 17.755 -1.002 -6.758 1.00 1.19 C ATOM 0 H THR A 24 18.645 -0.576 -3.776 1.00 1.02 H new ATOM 0 HA THR A 24 18.624 1.446 -5.906 1.00 0.98 H new ATOM 0 HB THR A 24 16.363 0.578 -6.406 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.678 -1.357 -5.270 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.018 -1.654 -7.226 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.287 -0.444 -7.528 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.465 -1.605 -6.192 1.00 1.19 H new ATOM 357 N SER A 25 17.255 1.620 -2.969 1.00 1.05 N ATOM 358 CA SER A 25 16.563 2.483 -2.014 1.00 1.35 C ATOM 359 C SER A 25 15.090 2.648 -2.384 1.00 1.17 C ATOM 360 O SER A 25 14.438 3.603 -1.958 1.00 1.39 O ATOM 361 CB SER A 25 17.242 3.853 -1.944 1.00 1.79 C ATOM 362 OG SER A 25 16.626 4.681 -0.972 1.00 2.45 O ATOM 0 H SER A 25 17.686 0.795 -2.552 1.00 1.05 H new ATOM 0 HA SER A 25 16.617 2.008 -1.035 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.297 3.727 -1.702 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.194 4.336 -2.920 1.00 1.79 H new ATOM 0 HG SER A 25 15.653 4.576 -1.022 1.00 2.45 H new ATOM 368 N SER A 26 14.569 1.712 -3.172 1.00 0.84 N ATOM 369 CA SER A 26 13.173 1.762 -3.595 1.00 0.72 C ATOM 370 C SER A 26 12.580 0.360 -3.701 1.00 0.58 C ATOM 371 O SER A 26 13.297 -0.613 -3.933 1.00 0.69 O ATOM 372 CB SER A 26 13.051 2.480 -4.939 1.00 0.81 C ATOM 373 OG SER A 26 13.803 1.819 -5.942 1.00 1.40 O ATOM 0 H SER A 26 15.091 0.912 -3.530 1.00 0.84 H new ATOM 0 HA SER A 26 12.614 2.316 -2.840 1.00 0.72 H new ATOM 0 HB2 SER A 26 12.003 2.525 -5.237 1.00 0.81 H new ATOM 0 HB3 SER A 26 13.399 3.508 -4.838 1.00 0.81 H new ATOM 0 HG SER A 26 13.707 2.297 -6.792 1.00 1.40 H new ATOM 379 N LEU A 27 11.264 0.269 -3.531 1.00 0.42 N ATOM 380 CA LEU A 27 10.568 -1.010 -3.609 1.00 0.32 C ATOM 381 C LEU A 27 9.627 -1.042 -4.808 1.00 0.29 C ATOM 382 O LEU A 27 9.065 -2.085 -5.139 1.00 0.41 O ATOM 383 CB LEU A 27 9.783 -1.266 -2.320 1.00 0.35 C ATOM 384 CG LEU A 27 10.640 -1.567 -1.089 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.792 -1.545 0.174 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.332 -2.914 -1.242 1.00 0.43 C ATOM 0 H LEU A 27 10.658 1.067 -3.338 1.00 0.42 H new ATOM 0 HA LEU A 27 11.313 -1.796 -3.733 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.165 -0.393 -2.109 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.105 -2.103 -2.486 1.00 0.35 H new ATOM 0 HG LEU A 27 11.402 -0.792 -1.003 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.420 -1.761 1.038 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.340 -0.560 0.292 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.007 -2.298 0.098 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.938 -3.114 -0.358 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.582 -3.698 -1.353 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.972 -2.896 -2.124 1.00 0.43 H new ATOM 398 N GLY A 28 9.461 0.108 -5.454 1.00 0.29 N ATOM 399 CA GLY A 28 8.592 0.191 -6.615 1.00 0.31 C ATOM 400 C GLY A 28 7.209 0.717 -6.278 1.00 0.29 C ATOM 401 O GLY A 28 6.434 1.055 -7.171 1.00 0.52 O ATOM 0 H GLY A 28 9.913 0.985 -5.194 1.00 0.29 H new ATOM 0 HA2 GLY A 28 9.051 0.840 -7.361 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.500 -0.797 -7.066 1.00 0.31 H new ATOM 405 N ILE A 29 6.902 0.786 -4.987 1.00 0.35 N ATOM 406 CA ILE A 29 5.604 1.272 -4.533 1.00 0.32 C ATOM 407 C ILE A 29 5.398 2.733 -4.918 1.00 0.30 C ATOM 408 O ILE A 29 6.030 3.627 -4.355 1.00 0.35 O ATOM 409 CB ILE A 29 5.459 1.129 -3.004 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.677 -0.327 -2.583 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.091 1.621 -2.549 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.782 -0.515 -1.085 1.00 0.84 C ATOM 0 H ILE A 29 7.535 0.511 -4.236 1.00 0.35 H new ATOM 0 HA ILE A 29 4.846 0.661 -5.023 1.00 0.32 H new ATOM 0 HB ILE A 29 6.220 1.744 -2.524 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.853 -0.933 -2.960 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.587 -0.700 -3.052 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.006 1.513 -1.468 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.974 2.671 -2.819 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.313 1.032 -3.035 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.936 -1.571 -0.861 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.624 0.063 -0.704 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.862 -0.173 -0.610 1.00 0.84 H new ATOM 424 N SER A 30 4.510 2.970 -5.881 1.00 0.27 N ATOM 425 CA SER A 30 4.217 4.327 -6.335 1.00 0.29 C ATOM 426 C SER A 30 2.798 4.727 -5.951 1.00 0.28 C ATOM 427 O SER A 30 1.826 4.155 -6.447 1.00 0.35 O ATOM 428 CB SER A 30 4.398 4.435 -7.850 1.00 0.33 C ATOM 429 OG SER A 30 4.170 5.761 -8.297 1.00 0.95 O ATOM 0 H SER A 30 3.982 2.241 -6.361 1.00 0.27 H new ATOM 0 HA SER A 30 4.916 5.007 -5.847 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.407 4.124 -8.122 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.709 3.755 -8.351 1.00 0.33 H new ATOM 0 HG SER A 30 4.446 5.842 -9.234 1.00 0.95 H new ATOM 435 N ILE A 31 2.681 5.713 -5.068 1.00 0.25 N ATOM 436 CA ILE A 31 1.377 6.184 -4.617 1.00 0.27 C ATOM 437 C ILE A 31 0.924 7.408 -5.408 1.00 0.31 C ATOM 438 O ILE A 31 1.620 7.865 -6.316 1.00 0.41 O ATOM 439 CB ILE A 31 1.397 6.532 -3.116 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.424 7.634 -2.837 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.707 5.289 -2.292 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.377 8.165 -1.420 1.00 0.39 C ATOM 0 H ILE A 31 3.473 6.201 -4.651 1.00 0.25 H new ATOM 0 HA ILE A 31 0.672 5.370 -4.786 1.00 0.27 H new ATOM 0 HB ILE A 31 0.412 6.901 -2.829 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.423 7.247 -3.037 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.257 8.458 -3.530 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.718 5.548 -1.233 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.943 4.533 -2.473 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.682 4.896 -2.580 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.132 8.942 -1.297 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.390 8.583 -1.221 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.575 7.353 -0.720 1.00 0.39 H new ATOM 454 N SER A 32 -0.247 7.932 -5.057 1.00 0.37 N ATOM 455 CA SER A 32 -0.797 9.102 -5.734 1.00 0.44 C ATOM 456 C SER A 32 -1.910 9.735 -4.902 1.00 0.55 C ATOM 457 O SER A 32 -2.752 9.035 -4.341 1.00 0.59 O ATOM 458 CB SER A 32 -1.332 8.715 -7.113 1.00 0.48 C ATOM 459 OG SER A 32 -2.334 7.718 -7.011 1.00 1.32 O ATOM 0 H SER A 32 -0.833 7.565 -4.308 1.00 0.37 H new ATOM 0 HA SER A 32 0.003 9.832 -5.856 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.740 9.596 -7.608 1.00 0.48 H new ATOM 0 HB3 SER A 32 -0.514 8.351 -7.734 1.00 0.48 H new ATOM 0 HG SER A 32 -1.912 6.841 -6.895 1.00 1.32 H new ATOM 465 N GLY A 33 -1.905 11.063 -4.830 1.00 0.70 N ATOM 466 CA GLY A 33 -2.917 11.770 -4.065 1.00 0.87 C ATOM 467 C GLY A 33 -4.150 12.091 -4.888 1.00 0.88 C ATOM 468 O GLY A 33 -4.063 12.781 -5.904 1.00 0.95 O ATOM 0 H GLY A 33 -1.218 11.662 -5.288 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.206 11.166 -3.205 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.493 12.696 -3.676 1.00 0.87 H new ATOM 634 N ILE A 46 -3.923 7.801 1.133 1.00 0.46 N ATOM 635 CA ILE A 46 -2.782 7.284 0.388 1.00 0.39 C ATOM 636 C ILE A 46 -3.101 5.920 -0.217 1.00 0.39 C ATOM 637 O ILE A 46 -3.609 5.033 0.467 1.00 0.57 O ATOM 638 CB ILE A 46 -1.538 7.159 1.294 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.264 8.483 2.015 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.325 6.729 0.483 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.976 9.642 1.082 1.00 0.55 C ATOM 0 HA ILE A 46 -2.569 7.992 -0.413 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.735 6.393 2.045 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.125 8.733 2.634 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.416 8.351 2.687 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.541 6.647 1.140 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.522 5.763 0.019 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.124 7.469 -0.291 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.792 10.543 1.667 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.096 9.415 0.480 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.832 9.803 0.427 1.00 0.55 H new ATOM 653 N TYR A 47 -2.801 5.760 -1.504 1.00 0.30 N ATOM 654 CA TYR A 47 -3.064 4.505 -2.199 1.00 0.30 C ATOM 655 C TYR A 47 -2.114 4.311 -3.377 1.00 0.26 C ATOM 656 O TYR A 47 -1.735 5.272 -4.048 1.00 0.29 O ATOM 657 CB TYR A 47 -4.513 4.470 -2.691 1.00 0.36 C ATOM 658 CG TYR A 47 -4.873 5.620 -3.605 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.299 6.838 -3.087 1.00 0.43 C ATOM 660 CD2 TYR A 47 -4.789 5.487 -4.984 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.628 7.891 -3.920 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.116 6.535 -5.824 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.536 7.733 -5.287 1.00 0.58 C ATOM 664 OH TYR A 47 -5.863 8.778 -6.121 1.00 0.70 O ATOM 0 H TYR A 47 -2.376 6.483 -2.085 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.899 3.691 -1.492 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.686 3.531 -3.217 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.180 4.480 -1.829 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.374 6.963 -2.017 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.463 4.549 -5.408 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.955 8.832 -3.503 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.043 6.416 -6.895 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.743 8.502 -7.054 1.00 0.70 H new ATOM 674 N VAL A 48 -1.732 3.060 -3.619 1.00 0.26 N ATOM 675 CA VAL A 48 -0.831 2.730 -4.717 1.00 0.25 C ATOM 676 C VAL A 48 -1.583 2.684 -6.044 1.00 0.28 C ATOM 677 O VAL A 48 -2.648 2.074 -6.144 1.00 0.39 O ATOM 678 CB VAL A 48 -0.136 1.375 -4.486 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.794 1.039 -5.642 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.623 1.383 -3.169 1.00 0.29 C ATOM 0 H VAL A 48 -2.034 2.257 -3.067 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.075 3.514 -4.755 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.903 0.602 -4.435 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.273 0.078 -5.456 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.220 0.985 -6.567 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.556 1.813 -5.733 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.108 0.418 -3.022 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.378 2.169 -3.189 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.072 1.568 -2.350 1.00 0.29 H new ATOM 690 N LYS A 49 -1.018 3.332 -7.060 1.00 0.31 N ATOM 691 CA LYS A 49 -1.634 3.371 -8.382 1.00 0.38 C ATOM 692 C LYS A 49 -0.661 2.887 -9.454 1.00 0.32 C ATOM 693 O LYS A 49 -1.077 2.391 -10.501 1.00 0.37 O ATOM 694 CB LYS A 49 -2.101 4.793 -8.706 1.00 0.49 C ATOM 695 CG LYS A 49 -2.799 4.913 -10.052 1.00 0.61 C ATOM 696 CD LYS A 49 -3.202 6.350 -10.351 1.00 0.84 C ATOM 697 CE LYS A 49 -4.311 6.826 -9.425 1.00 1.65 C ATOM 698 NZ LYS A 49 -4.708 8.234 -9.710 1.00 2.40 N ATOM 0 H LYS A 49 -0.134 3.837 -6.992 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.496 2.703 -8.373 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.780 5.131 -7.923 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.240 5.461 -8.692 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.138 4.549 -10.839 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.684 4.277 -10.061 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.334 7.001 -10.245 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.534 6.427 -11.386 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -5.179 6.175 -9.534 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.979 6.745 -8.390 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -5.466 8.520 -9.058 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.887 8.859 -9.582 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -5.049 8.307 -10.690 1.00 2.40 H new ATOM 712 N SER A 50 0.634 3.031 -9.186 1.00 0.28 N ATOM 713 CA SER A 50 1.658 2.612 -10.137 1.00 0.35 C ATOM 714 C SER A 50 2.716 1.742 -9.464 1.00 0.28 C ATOM 715 O SER A 50 2.847 1.735 -8.239 1.00 0.25 O ATOM 716 CB SER A 50 2.319 3.834 -10.777 1.00 0.49 C ATOM 717 OG SER A 50 1.371 4.619 -11.478 1.00 1.28 O ATOM 0 H SER A 50 0.998 3.433 -8.322 1.00 0.28 H new ATOM 0 HA SER A 50 1.172 2.019 -10.912 1.00 0.35 H new ATOM 0 HB2 SER A 50 2.797 4.438 -10.006 1.00 0.49 H new ATOM 0 HB3 SER A 50 3.104 3.510 -11.460 1.00 0.49 H new ATOM 0 HG SER A 50 1.819 5.395 -11.876 1.00 1.28 H new ATOM 723 N LEU A 51 3.469 1.011 -10.280 1.00 0.32 N ATOM 724 CA LEU A 51 4.520 0.132 -9.780 1.00 0.27 C ATOM 725 C LEU A 51 5.736 0.166 -10.701 1.00 0.27 C ATOM 726 O LEU A 51 5.612 -0.008 -11.914 1.00 0.42 O ATOM 727 CB LEU A 51 3.999 -1.301 -9.662 1.00 0.30 C ATOM 728 CG LEU A 51 2.840 -1.496 -8.684 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.264 -2.897 -8.814 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.297 -1.239 -7.256 1.00 0.32 C ATOM 0 H LEU A 51 3.370 1.010 -11.295 1.00 0.32 H new ATOM 0 HA LEU A 51 4.820 0.486 -8.794 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.680 -1.637 -10.649 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.823 -1.946 -9.357 1.00 0.30 H new ATOM 0 HG LEU A 51 2.058 -0.777 -8.930 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.440 -3.018 -8.111 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.899 -3.047 -9.830 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.039 -3.631 -8.595 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.459 -1.383 -6.574 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.097 -1.934 -6.999 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.664 -0.216 -7.170 1.00 0.32 H new ATOM 742 N ILE A 52 6.910 0.389 -10.118 1.00 0.24 N ATOM 743 CA ILE A 52 8.146 0.443 -10.886 1.00 0.24 C ATOM 744 C ILE A 52 8.501 -0.935 -11.448 1.00 0.23 C ATOM 745 O ILE A 52 8.728 -1.876 -10.688 1.00 0.28 O ATOM 746 CB ILE A 52 9.315 0.959 -10.027 1.00 0.27 C ATOM 747 CG1 ILE A 52 9.025 2.390 -9.569 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.623 0.889 -10.808 1.00 0.31 C ATOM 749 CD1 ILE A 52 10.125 2.995 -8.727 1.00 1.26 C ATOM 0 H ILE A 52 7.030 0.535 -9.116 1.00 0.24 H new ATOM 0 HA ILE A 52 7.982 1.136 -11.711 1.00 0.24 H new ATOM 0 HB ILE A 52 9.419 0.326 -9.146 1.00 0.27 H new ATOM 0 HG12 ILE A 52 8.865 3.017 -10.446 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.097 2.398 -8.998 1.00 0.36 H new ATOM 0 HG21 ILE A 52 11.438 1.258 -10.186 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.822 -0.144 -11.093 1.00 0.31 H new ATOM 0 HG23 ILE A 52 10.545 1.504 -11.705 1.00 0.31 H new ATOM 0 HD11 ILE A 52 9.848 4.009 -8.440 1.00 1.26 H new ATOM 0 HD12 ILE A 52 10.271 2.392 -7.831 1.00 1.26 H new ATOM 0 HD13 ILE A 52 11.051 3.021 -9.302 1.00 1.26 H new ATOM 761 N PRO A 53 8.555 -1.076 -12.789 1.00 0.31 N ATOM 762 CA PRO A 53 8.882 -2.356 -13.428 1.00 0.35 C ATOM 763 C PRO A 53 10.344 -2.743 -13.231 1.00 0.34 C ATOM 764 O PRO A 53 11.222 -2.293 -13.969 1.00 0.46 O ATOM 765 CB PRO A 53 8.591 -2.101 -14.908 1.00 0.43 C ATOM 766 CG PRO A 53 8.754 -0.631 -15.078 1.00 0.82 C ATOM 767 CD PRO A 53 8.306 -0.012 -13.783 1.00 0.47 C ATOM 0 HA PRO A 53 8.309 -3.181 -13.005 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.280 -2.652 -15.548 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.584 -2.421 -15.174 1.00 0.43 H new ATOM 0 HG2 PRO A 53 9.791 -0.376 -15.294 1.00 0.82 H new ATOM 0 HG3 PRO A 53 8.155 -0.266 -15.913 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.870 0.892 -13.554 1.00 0.47 H new ATOM 0 HD3 PRO A 53 7.253 0.269 -13.815 1.00 0.47 H new ATOM 775 N GLY A 54 10.597 -3.581 -12.230 1.00 0.39 N ATOM 776 CA GLY A 54 11.951 -4.017 -11.950 1.00 0.41 C ATOM 777 C GLY A 54 12.263 -4.025 -10.467 1.00 0.39 C ATOM 778 O GLY A 54 13.376 -4.364 -10.063 1.00 0.49 O ATOM 0 H GLY A 54 9.886 -3.966 -11.608 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.098 -5.019 -12.354 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.654 -3.360 -12.462 1.00 0.41 H new ATOM 782 N SER A 55 11.280 -3.652 -9.654 1.00 0.35 N ATOM 783 CA SER A 55 11.455 -3.619 -8.208 1.00 0.35 C ATOM 784 C SER A 55 10.822 -4.844 -7.555 1.00 0.32 C ATOM 785 O SER A 55 10.139 -5.623 -8.216 1.00 0.36 O ATOM 786 CB SER A 55 10.849 -2.342 -7.628 1.00 0.37 C ATOM 787 OG SER A 55 11.486 -1.190 -8.153 1.00 1.23 O ATOM 0 H SER A 55 10.354 -3.368 -9.973 1.00 0.35 H new ATOM 0 HA SER A 55 12.524 -3.631 -7.996 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.783 -2.307 -7.854 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.945 -2.351 -6.542 1.00 0.37 H new ATOM 0 HG SER A 55 11.079 -0.386 -7.767 1.00 1.23 H new ATOM 793 N ALA A 56 11.050 -5.006 -6.256 1.00 0.35 N ATOM 794 CA ALA A 56 10.508 -6.143 -5.519 1.00 0.36 C ATOM 795 C ALA A 56 8.983 -6.184 -5.581 1.00 0.32 C ATOM 796 O ALA A 56 8.397 -7.202 -5.953 1.00 0.34 O ATOM 797 CB ALA A 56 10.977 -6.103 -4.072 1.00 0.42 C ATOM 0 H ALA A 56 11.607 -4.364 -5.691 1.00 0.35 H new ATOM 0 HA ALA A 56 10.881 -7.052 -5.992 1.00 0.36 H new ATOM 0 HB1 ALA A 56 10.566 -6.956 -3.533 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.066 -6.144 -4.041 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.636 -5.180 -3.604 1.00 0.42 H new ATOM 803 N ALA A 57 8.349 -5.072 -5.216 1.00 0.30 N ATOM 804 CA ALA A 57 6.890 -4.976 -5.215 1.00 0.30 C ATOM 805 C ALA A 57 6.279 -5.514 -6.510 1.00 0.30 C ATOM 806 O ALA A 57 5.253 -6.196 -6.484 1.00 0.35 O ATOM 807 CB ALA A 57 6.459 -3.534 -4.996 1.00 0.32 C ATOM 0 H ALA A 57 8.825 -4.221 -4.916 1.00 0.30 H new ATOM 0 HA ALA A 57 6.523 -5.594 -4.396 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.371 -3.475 -4.997 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.840 -3.182 -4.037 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.857 -2.910 -5.796 1.00 0.32 H new ATOM 813 N ALA A 58 6.913 -5.206 -7.637 1.00 0.31 N ATOM 814 CA ALA A 58 6.420 -5.650 -8.939 1.00 0.33 C ATOM 815 C ALA A 58 6.806 -7.098 -9.233 1.00 0.34 C ATOM 816 O ALA A 58 6.016 -7.856 -9.798 1.00 0.44 O ATOM 817 CB ALA A 58 6.940 -4.734 -10.038 1.00 0.37 C ATOM 0 H ALA A 58 7.768 -4.652 -7.677 1.00 0.31 H new ATOM 0 HA ALA A 58 5.331 -5.600 -8.912 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.566 -5.075 -11.003 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.597 -3.716 -9.855 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.030 -4.755 -10.043 1.00 0.37 H new ATOM 823 N LEU A 59 8.023 -7.477 -8.850 1.00 0.35 N ATOM 824 CA LEU A 59 8.516 -8.832 -9.085 1.00 0.39 C ATOM 825 C LEU A 59 7.589 -9.882 -8.476 1.00 0.42 C ATOM 826 O LEU A 59 7.113 -10.778 -9.173 1.00 0.57 O ATOM 827 CB LEU A 59 9.927 -8.990 -8.516 1.00 0.47 C ATOM 828 CG LEU A 59 11.036 -8.325 -9.336 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.356 -8.371 -8.583 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.173 -9.000 -10.693 1.00 0.61 C ATOM 0 H LEU A 59 8.686 -6.865 -8.375 1.00 0.35 H new ATOM 0 HA LEU A 59 8.541 -8.990 -10.163 1.00 0.39 H new ATOM 0 HB2 LEU A 59 9.944 -8.576 -7.508 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.150 -10.053 -8.428 1.00 0.47 H new ATOM 0 HG LEU A 59 10.767 -7.281 -9.496 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.133 -7.894 -9.181 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.253 -7.844 -7.635 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.630 -9.409 -8.393 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.966 -8.515 -11.262 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.419 -10.052 -10.553 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.232 -8.917 -11.237 1.00 0.61 H new ATOM 842 N ASP A 60 7.342 -9.769 -7.175 1.00 0.44 N ATOM 843 CA ASP A 60 6.476 -10.713 -6.478 1.00 0.52 C ATOM 844 C ASP A 60 5.095 -10.775 -7.122 1.00 0.61 C ATOM 845 O ASP A 60 4.462 -11.830 -7.158 1.00 0.79 O ATOM 846 CB ASP A 60 6.345 -10.326 -5.004 1.00 0.74 C ATOM 847 CG ASP A 60 7.664 -10.415 -4.264 1.00 1.08 C ATOM 848 OD1 ASP A 60 8.499 -9.499 -4.422 1.00 1.86 O ATOM 849 OD2 ASP A 60 7.865 -11.404 -3.526 1.00 1.32 O ATOM 0 H ASP A 60 7.729 -9.034 -6.583 1.00 0.44 H new ATOM 0 HA ASP A 60 6.932 -11.700 -6.551 1.00 0.52 H new ATOM 0 HB2 ASP A 60 5.958 -9.309 -4.931 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.617 -10.979 -4.523 1.00 0.74 H new ATOM 854 N GLY A 61 4.635 -9.636 -7.632 1.00 0.72 N ATOM 855 CA GLY A 61 3.332 -9.580 -8.269 1.00 1.06 C ATOM 856 C GLY A 61 2.197 -9.526 -7.265 1.00 0.83 C ATOM 857 O GLY A 61 1.054 -9.239 -7.625 1.00 0.94 O ATOM 0 H GLY A 61 5.142 -8.751 -7.615 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.284 -8.703 -8.914 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.206 -10.454 -8.909 1.00 1.06 H new ATOM 861 N ARG A 62 2.513 -9.799 -6.002 1.00 0.63 N ATOM 862 CA ARG A 62 1.515 -9.785 -4.939 1.00 0.59 C ATOM 863 C ARG A 62 0.868 -8.409 -4.822 1.00 0.52 C ATOM 864 O ARG A 62 -0.289 -8.289 -4.420 1.00 0.69 O ATOM 865 CB ARG A 62 2.158 -10.176 -3.606 1.00 0.67 C ATOM 866 CG ARG A 62 2.887 -11.511 -3.647 1.00 0.81 C ATOM 867 CD ARG A 62 1.922 -12.672 -3.834 1.00 1.05 C ATOM 868 NE ARG A 62 0.990 -12.795 -2.717 1.00 1.31 N ATOM 869 CZ ARG A 62 0.135 -13.805 -2.576 1.00 1.93 C ATOM 870 NH1 ARG A 62 0.096 -14.776 -3.478 1.00 2.26 N ATOM 871 NH2 ARG A 62 -0.680 -13.843 -1.532 1.00 2.59 N ATOM 0 H ARG A 62 3.456 -10.033 -5.690 1.00 0.63 H new ATOM 0 HA ARG A 62 0.741 -10.511 -5.188 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.861 -9.397 -3.309 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.385 -10.217 -2.838 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.612 -11.505 -4.461 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.447 -11.649 -2.722 1.00 0.81 H new ATOM 0 HD2 ARG A 62 1.363 -12.533 -4.759 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.486 -13.599 -3.939 1.00 1.05 H new ATOM 0 HE ARG A 62 0.994 -12.065 -2.004 1.00 1.31 H new ATOM 0 HH11 ARG A 62 0.722 -14.750 -4.283 1.00 2.26 H new ATOM 0 HH12 ARG A 62 -0.560 -15.549 -3.367 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -0.652 -13.098 -0.836 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -1.335 -14.617 -1.424 1.00 2.59 H new ATOM 885 N ILE A 63 1.624 -7.374 -5.176 1.00 0.48 N ATOM 886 CA ILE A 63 1.123 -6.006 -5.115 1.00 0.48 C ATOM 887 C ILE A 63 0.542 -5.585 -6.462 1.00 0.49 C ATOM 888 O ILE A 63 1.263 -5.489 -7.456 1.00 0.59 O ATOM 889 CB ILE A 63 2.233 -5.010 -4.709 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.770 -5.338 -3.314 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.712 -3.581 -4.754 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.735 -6.504 -3.289 1.00 0.92 C ATOM 0 H ILE A 63 2.585 -7.457 -5.508 1.00 0.48 H new ATOM 0 HA ILE A 63 0.341 -5.985 -4.356 1.00 0.48 H new ATOM 0 HB ILE A 63 3.051 -5.103 -5.423 1.00 0.58 H new ATOM 0 HG12 ILE A 63 3.269 -4.457 -2.911 1.00 0.66 H new ATOM 0 HG13 ILE A 63 1.931 -5.559 -2.655 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.508 -2.894 -4.465 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.380 -3.347 -5.765 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.875 -3.477 -4.064 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.072 -6.676 -2.267 1.00 0.92 H new ATOM 0 HD12 ILE A 63 3.235 -7.398 -3.661 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.594 -6.279 -3.921 1.00 0.92 H new ATOM 904 N GLU A 64 -0.763 -5.337 -6.486 1.00 0.51 N ATOM 905 CA GLU A 64 -1.440 -4.924 -7.711 1.00 0.58 C ATOM 906 C GLU A 64 -1.942 -3.485 -7.592 1.00 0.56 C ATOM 907 O GLU A 64 -2.121 -2.979 -6.484 1.00 0.66 O ATOM 908 CB GLU A 64 -2.611 -5.865 -8.013 1.00 0.79 C ATOM 909 CG GLU A 64 -3.786 -5.701 -7.063 1.00 1.09 C ATOM 910 CD GLU A 64 -4.902 -6.691 -7.338 1.00 1.39 C ATOM 911 OE1 GLU A 64 -4.854 -7.808 -6.782 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.822 -6.348 -8.108 1.00 1.98 O ATOM 0 H GLU A 64 -1.373 -5.415 -5.672 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.724 -4.974 -8.531 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.953 -5.690 -9.033 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -2.259 -6.896 -7.967 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.439 -5.826 -6.037 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -4.177 -4.687 -7.146 1.00 1.09 H new ATOM 919 N PRO A 65 -2.174 -2.805 -8.731 1.00 0.56 N ATOM 920 CA PRO A 65 -2.661 -1.421 -8.735 1.00 0.64 C ATOM 921 C PRO A 65 -4.010 -1.286 -8.039 1.00 0.72 C ATOM 922 O PRO A 65 -4.625 -2.285 -7.663 1.00 1.44 O ATOM 923 CB PRO A 65 -2.790 -1.082 -10.225 1.00 0.77 C ATOM 924 CG PRO A 65 -2.840 -2.401 -10.918 1.00 0.83 C ATOM 925 CD PRO A 65 -1.990 -3.324 -10.098 1.00 0.62 C ATOM 0 HA PRO A 65 -1.989 -0.753 -8.195 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.690 -0.499 -10.421 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.944 -0.487 -10.569 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.864 -2.769 -10.986 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -2.461 -2.322 -11.937 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.317 -4.360 -10.185 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.945 -3.293 -10.406 1.00 0.62 H new ATOM 933 N ASN A 66 -4.464 -0.049 -7.870 1.00 0.60 N ATOM 934 CA ASN A 66 -5.743 0.217 -7.217 1.00 0.59 C ATOM 935 C ASN A 66 -5.797 -0.451 -5.846 1.00 0.51 C ATOM 936 O ASN A 66 -6.666 -1.282 -5.578 1.00 0.73 O ATOM 937 CB ASN A 66 -6.901 -0.272 -8.092 1.00 0.66 C ATOM 938 CG ASN A 66 -8.259 0.066 -7.505 1.00 1.34 C ATOM 939 OD1 ASN A 66 -8.332 1.172 -6.771 1.00 2.15 O flip ATOM 940 ND2 ASN A 66 -9.232 -0.659 -7.711 1.00 2.01 N flip ATOM 0 H ASN A 66 -3.966 0.787 -8.176 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.840 1.294 -7.079 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.816 0.174 -9.083 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.823 -1.352 -8.221 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -9.131 -1.499 -8.281 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -10.140 -0.420 -7.312 1.00 2.01 H new ATOM 947 N ASP A 67 -4.856 -0.086 -4.984 1.00 0.36 N ATOM 948 CA ASP A 67 -4.789 -0.645 -3.639 1.00 0.34 C ATOM 949 C ASP A 67 -4.511 0.452 -2.617 1.00 0.30 C ATOM 950 O ASP A 67 -3.926 1.481 -2.948 1.00 0.38 O ATOM 951 CB ASP A 67 -3.701 -1.717 -3.567 1.00 0.41 C ATOM 952 CG ASP A 67 -3.566 -2.314 -2.180 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.870 -1.707 -1.339 1.00 1.46 O ATOM 954 OD2 ASP A 67 -4.152 -3.389 -1.935 1.00 2.02 O ATOM 0 H ASP A 67 -4.127 0.596 -5.193 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.751 -1.101 -3.406 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.929 -2.510 -4.280 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.747 -1.283 -3.867 1.00 0.41 H new ATOM 959 N LYS A 68 -4.931 0.228 -1.374 1.00 0.27 N ATOM 960 CA LYS A 68 -4.725 1.210 -0.315 1.00 0.28 C ATOM 961 C LYS A 68 -3.699 0.727 0.702 1.00 0.26 C ATOM 962 O LYS A 68 -3.713 -0.432 1.114 1.00 0.38 O ATOM 963 CB LYS A 68 -6.043 1.523 0.392 1.00 0.37 C ATOM 964 CG LYS A 68 -6.998 2.356 -0.446 1.00 0.53 C ATOM 965 CD LYS A 68 -8.208 2.798 0.362 1.00 0.53 C ATOM 966 CE LYS A 68 -7.840 3.872 1.374 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.026 4.338 2.143 1.00 1.02 N ATOM 0 H LYS A 68 -5.413 -0.620 -1.077 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.343 2.118 -0.782 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -6.532 0.587 0.663 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -5.831 2.052 1.321 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -6.476 3.232 -0.831 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -7.327 1.777 -1.309 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.977 3.178 -0.311 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.634 1.939 0.880 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.091 3.481 2.063 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.387 4.718 0.857 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -8.734 5.069 2.822 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.730 4.735 1.488 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.444 3.536 2.657 1.00 1.02 H new ATOM 981 N ILE A 69 -2.812 1.631 1.103 1.00 0.24 N ATOM 982 CA ILE A 69 -1.780 1.313 2.083 1.00 0.21 C ATOM 983 C ILE A 69 -2.209 1.770 3.471 1.00 0.21 C ATOM 984 O ILE A 69 -2.464 2.955 3.691 1.00 0.29 O ATOM 985 CB ILE A 69 -0.434 1.977 1.726 1.00 0.23 C ATOM 986 CG1 ILE A 69 0.002 1.582 0.312 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.633 1.597 2.744 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.253 0.098 0.139 1.00 0.28 C ATOM 0 H ILE A 69 -2.787 2.592 0.763 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.647 0.231 2.074 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.564 3.059 1.753 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.766 1.895 -0.395 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.911 2.126 0.057 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.576 2.074 2.478 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.325 1.930 3.735 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.762 0.515 2.749 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.558 -0.102 -0.888 1.00 0.28 H new ATOM 0 HD12 ILE A 69 1.043 -0.219 0.820 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.661 -0.454 0.360 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.293 0.828 4.404 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.704 1.141 5.766 1.00 0.21 C ATOM 1002 C LEU A 70 -1.498 1.414 6.661 1.00 0.20 C ATOM 1003 O LEU A 70 -1.329 2.524 7.166 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.538 -0.003 6.346 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.775 -0.387 5.528 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.497 -1.560 6.174 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.716 0.803 5.384 1.00 0.38 C ATOM 0 H LEU A 70 -2.082 -0.157 4.242 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.312 2.045 5.731 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.901 -0.882 6.446 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.858 0.275 7.350 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.447 -0.687 4.533 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.373 -1.820 5.580 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.826 -2.417 6.224 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.810 -1.285 7.181 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.588 0.509 4.800 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.036 1.135 6.372 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.198 1.617 4.878 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.661 0.400 6.854 1.00 0.20 N ATOM 1020 CA ARG A 71 0.519 0.544 7.699 1.00 0.25 C ATOM 1021 C ARG A 71 1.718 -0.206 7.125 1.00 0.18 C ATOM 1022 O ARG A 71 1.580 -1.296 6.571 1.00 0.26 O ATOM 1023 CB ARG A 71 0.220 0.040 9.112 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.879 0.822 9.816 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.108 0.314 11.230 1.00 0.77 C ATOM 1026 NE ARG A 71 0.091 0.430 12.054 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.098 0.270 13.374 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.029 -0.006 14.018 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.232 0.386 14.051 1.00 2.61 N ATOM 0 H ARG A 71 -0.776 -0.525 6.440 1.00 0.20 H new ATOM 0 HA ARG A 71 0.771 1.604 7.736 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.068 -1.010 9.061 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.131 0.092 9.708 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.612 1.878 9.847 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.805 0.744 9.246 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.920 0.877 11.690 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.423 -0.729 11.194 1.00 0.77 H new ATOM 0 HE ARG A 71 0.974 0.646 11.591 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.903 -0.096 13.500 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.021 -0.128 15.031 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.100 0.598 13.559 1.00 2.61 H new ATOM 0 HH22 ARG A 71 1.236 0.263 15.064 1.00 2.61 H new ATOM 1043 N VAL A 72 2.894 0.396 7.262 1.00 0.21 N ATOM 1044 CA VAL A 72 4.133 -0.201 6.778 1.00 0.17 C ATOM 1045 C VAL A 72 4.890 -0.844 7.939 1.00 0.17 C ATOM 1046 O VAL A 72 4.473 -0.730 9.089 1.00 0.20 O ATOM 1047 CB VAL A 72 5.029 0.860 6.099 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.126 0.205 5.271 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.191 1.793 5.236 1.00 0.28 C ATOM 0 H VAL A 72 3.015 1.305 7.708 1.00 0.21 H new ATOM 0 HA VAL A 72 3.879 -0.963 6.041 1.00 0.17 H new ATOM 0 HB VAL A 72 5.507 1.448 6.883 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.740 0.976 4.806 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.749 -0.414 5.917 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.676 -0.416 4.497 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.838 2.533 4.766 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.681 1.215 4.465 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.453 2.299 5.858 1.00 0.28 H new ATOM 1059 N ASP A 73 5.983 -1.537 7.635 1.00 0.18 N ATOM 1060 CA ASP A 73 6.792 -2.180 8.667 1.00 0.21 C ATOM 1061 C ASP A 73 7.136 -1.201 9.790 1.00 0.22 C ATOM 1062 O ASP A 73 7.913 -0.266 9.592 1.00 0.23 O ATOM 1063 CB ASP A 73 8.080 -2.730 8.057 1.00 0.26 C ATOM 1064 CG ASP A 73 8.857 -3.599 9.027 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.574 -4.813 9.095 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.751 -3.064 9.718 1.00 0.56 O ATOM 0 H ASP A 73 6.329 -1.668 6.685 1.00 0.18 H new ATOM 0 HA ASP A 73 6.208 -2.998 9.089 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.838 -3.311 7.167 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.709 -1.900 7.734 1.00 0.26 H new ATOM 1071 N ASP A 74 6.551 -1.424 10.966 1.00 0.25 N ATOM 1072 CA ASP A 74 6.797 -0.572 12.130 1.00 0.29 C ATOM 1073 C ASP A 74 6.484 0.892 11.821 1.00 0.25 C ATOM 1074 O ASP A 74 7.035 1.801 12.441 1.00 0.29 O ATOM 1075 CB ASP A 74 8.251 -0.713 12.589 1.00 0.35 C ATOM 1076 CG ASP A 74 8.492 -0.107 13.958 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.162 -0.767 14.966 1.00 1.34 O ATOM 1078 OD2 ASP A 74 9.009 1.028 14.023 1.00 2.01 O ATOM 0 H ASP A 74 5.901 -2.191 11.139 1.00 0.25 H new ATOM 0 HA ASP A 74 6.134 -0.898 12.932 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.520 -1.769 12.611 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.906 -0.232 11.862 1.00 0.35 H new ATOM 1083 N VAL A 75 5.591 1.110 10.861 1.00 0.27 N ATOM 1084 CA VAL A 75 5.197 2.456 10.461 1.00 0.27 C ATOM 1085 C VAL A 75 3.717 2.494 10.084 1.00 0.37 C ATOM 1086 O VAL A 75 3.145 1.479 9.689 1.00 0.79 O ATOM 1087 CB VAL A 75 6.043 2.953 9.265 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.593 4.335 8.812 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.520 2.966 9.625 1.00 0.41 C ATOM 0 H VAL A 75 5.124 0.366 10.343 1.00 0.27 H new ATOM 0 HA VAL A 75 5.370 3.114 11.312 1.00 0.27 H new ATOM 0 HB VAL A 75 5.893 2.261 8.436 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.205 4.659 7.970 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.547 4.295 8.506 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.704 5.042 9.635 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.099 3.318 8.772 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.682 3.631 10.473 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.839 1.958 9.889 1.00 0.41 H new ATOM 1099 N ASN A 76 3.099 3.663 10.219 1.00 0.30 N ATOM 1100 CA ASN A 76 1.688 3.823 9.883 1.00 0.37 C ATOM 1101 C ASN A 76 1.484 5.024 8.964 1.00 0.42 C ATOM 1102 O ASN A 76 1.916 6.134 9.274 1.00 0.58 O ATOM 1103 CB ASN A 76 0.852 3.982 11.154 1.00 0.46 C ATOM 1104 CG ASN A 76 1.268 5.185 11.977 1.00 1.35 C ATOM 1105 OD1 ASN A 76 2.151 5.093 12.831 1.00 2.24 O ATOM 1106 ND2 ASN A 76 0.630 6.322 11.728 1.00 2.08 N ATOM 0 H ASN A 76 3.552 4.512 10.558 1.00 0.30 H new ATOM 0 HA ASN A 76 1.359 2.927 9.357 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.200 4.077 10.884 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.945 3.081 11.761 1.00 0.46 H new ATOM 0 HD21 ASN A 76 0.865 7.164 12.253 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -0.095 6.354 11.011 1.00 2.08 H new ATOM 1113 N VAL A 77 0.824 4.793 7.831 1.00 0.35 N ATOM 1114 CA VAL A 77 0.569 5.857 6.868 1.00 0.43 C ATOM 1115 C VAL A 77 -0.886 6.312 6.926 1.00 0.53 C ATOM 1116 O VAL A 77 -1.425 6.837 5.950 1.00 0.67 O ATOM 1117 CB VAL A 77 0.906 5.407 5.431 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.373 5.020 5.321 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.013 4.252 5.004 1.00 0.53 C ATOM 0 H VAL A 77 0.458 3.881 7.560 1.00 0.35 H new ATOM 0 HA VAL A 77 1.216 6.692 7.136 1.00 0.43 H new ATOM 0 HB VAL A 77 0.721 6.246 4.760 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.591 4.706 4.300 1.00 0.45 H new ATOM 0 HG12 VAL A 77 2.996 5.877 5.577 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.585 4.199 6.006 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.268 3.951 3.988 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.160 3.409 5.680 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -1.030 4.567 5.038 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.516 6.111 8.080 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.910 6.499 8.271 1.00 0.72 C ATOM 1131 C GLN A 78 -3.012 7.931 8.786 1.00 0.61 C ATOM 1132 O GLN A 78 -3.985 8.294 9.449 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.596 5.545 9.251 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.743 4.127 8.723 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.709 4.034 7.558 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.188 4.181 6.346 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.908 3.830 7.745 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.083 5.681 8.897 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.412 6.443 7.305 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.025 5.520 10.179 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.584 5.937 9.494 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.767 3.757 8.411 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.087 3.478 9.528 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.265 3.723 8.694 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.545 3.768 6.951 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.005 8.743 8.476 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.009 10.125 8.919 1.00 0.48 C ATOM 1148 C GLY A 79 -0.726 10.857 8.579 1.00 0.41 C ATOM 1149 O GLY A 79 -0.281 11.720 9.334 1.00 0.55 O ATOM 0 H GLY A 79 -1.189 8.469 7.928 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.850 10.645 8.462 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.164 10.155 9.998 1.00 0.48 H new ATOM 1153 N MET A 80 -0.126 10.516 7.441 1.00 0.32 N ATOM 1154 CA MET A 80 1.111 11.158 7.011 1.00 0.33 C ATOM 1155 C MET A 80 0.974 11.707 5.595 1.00 0.30 C ATOM 1156 O MET A 80 0.263 11.140 4.764 1.00 0.34 O ATOM 1157 CB MET A 80 2.278 10.172 7.083 1.00 0.39 C ATOM 1158 CG MET A 80 2.475 9.565 8.464 1.00 0.46 C ATOM 1159 SD MET A 80 4.049 8.699 8.629 1.00 0.52 S ATOM 1160 CE MET A 80 3.928 7.510 7.296 1.00 0.48 C ATOM 0 H MET A 80 -0.476 9.801 6.803 1.00 0.32 H new ATOM 0 HA MET A 80 1.312 11.991 7.685 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.111 9.371 6.363 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.194 10.683 6.785 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.419 10.354 9.214 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.660 8.871 8.670 1.00 0.46 H new ATOM 0 HE1 MET A 80 3.898 6.502 7.709 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.018 7.695 6.725 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.794 7.608 6.641 1.00 0.48 H new ATOM 1170 N ALA A 81 1.660 12.815 5.328 1.00 0.29 N ATOM 1171 CA ALA A 81 1.615 13.448 4.015 1.00 0.31 C ATOM 1172 C ALA A 81 2.136 12.512 2.931 1.00 0.26 C ATOM 1173 O ALA A 81 2.908 11.595 3.212 1.00 0.23 O ATOM 1174 CB ALA A 81 2.412 14.744 4.025 1.00 0.39 C ATOM 0 H ALA A 81 2.254 13.293 6.005 1.00 0.29 H new ATOM 0 HA ALA A 81 0.574 13.676 3.788 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.369 15.205 3.038 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.989 15.426 4.763 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.450 14.531 4.281 1.00 0.39 H new ATOM 1180 N GLN A 82 1.712 12.749 1.694 1.00 0.33 N ATOM 1181 CA GLN A 82 2.130 11.925 0.565 1.00 0.35 C ATOM 1182 C GLN A 82 3.650 11.789 0.515 1.00 0.31 C ATOM 1183 O GLN A 82 4.187 10.681 0.570 1.00 0.31 O ATOM 1184 CB GLN A 82 1.616 12.525 -0.745 1.00 0.42 C ATOM 1185 CG GLN A 82 1.945 11.689 -1.970 1.00 0.51 C ATOM 1186 CD GLN A 82 1.438 12.316 -3.255 1.00 0.76 C ATOM 1187 OE1 GLN A 82 1.347 13.538 -3.369 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.104 11.479 -4.231 1.00 0.74 N ATOM 0 H GLN A 82 1.077 13.508 1.447 1.00 0.33 H new ATOM 0 HA GLN A 82 1.703 10.931 0.697 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.535 12.647 -0.679 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.042 13.520 -0.870 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.025 11.556 -2.036 1.00 0.51 H new ATOM 0 HG3 GLN A 82 1.508 10.697 -1.857 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.195 10.472 -4.093 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.756 11.843 -5.118 1.00 0.74 H new ATOM 1197 N SER A 83 4.336 12.924 0.417 1.00 0.32 N ATOM 1198 CA SER A 83 5.793 12.939 0.356 1.00 0.35 C ATOM 1199 C SER A 83 6.402 12.222 1.556 1.00 0.30 C ATOM 1200 O SER A 83 7.419 11.538 1.430 1.00 0.35 O ATOM 1201 CB SER A 83 6.306 14.379 0.296 1.00 0.44 C ATOM 1202 OG SER A 83 7.722 14.416 0.253 1.00 1.48 O ATOM 0 H SER A 83 3.904 13.847 0.378 1.00 0.32 H new ATOM 0 HA SER A 83 6.096 12.411 -0.548 1.00 0.35 H new ATOM 0 HB2 SER A 83 5.899 14.876 -0.585 1.00 0.44 H new ATOM 0 HB3 SER A 83 5.951 14.931 1.166 1.00 0.44 H new ATOM 0 HG SER A 83 8.024 15.348 0.214 1.00 1.48 H new ATOM 1208 N ASP A 84 5.774 12.377 2.717 1.00 0.24 N ATOM 1209 CA ASP A 84 6.259 11.742 3.938 1.00 0.24 C ATOM 1210 C ASP A 84 6.285 10.226 3.789 1.00 0.20 C ATOM 1211 O ASP A 84 7.269 9.575 4.143 1.00 0.24 O ATOM 1212 CB ASP A 84 5.381 12.133 5.127 1.00 0.27 C ATOM 1213 CG ASP A 84 5.908 11.581 6.438 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.661 10.390 6.722 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.565 12.340 7.180 1.00 0.97 O ATOM 0 H ASP A 84 4.929 12.936 2.838 1.00 0.24 H new ATOM 0 HA ASP A 84 7.276 12.090 4.117 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.322 13.220 5.190 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.367 11.768 4.963 1.00 0.27 H new ATOM 1220 N VAL A 85 5.198 9.669 3.263 1.00 0.19 N ATOM 1221 CA VAL A 85 5.097 8.228 3.064 1.00 0.22 C ATOM 1222 C VAL A 85 6.203 7.728 2.143 1.00 0.21 C ATOM 1223 O VAL A 85 6.757 6.647 2.350 1.00 0.24 O ATOM 1224 CB VAL A 85 3.728 7.839 2.471 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.635 6.335 2.273 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.601 8.335 3.363 1.00 0.30 C ATOM 0 H VAL A 85 4.375 10.194 2.967 1.00 0.19 H new ATOM 0 HA VAL A 85 5.203 7.760 4.043 1.00 0.22 H new ATOM 0 HB VAL A 85 3.629 8.316 1.496 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.661 6.083 1.854 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.420 6.009 1.590 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.758 5.833 3.233 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.642 8.052 2.929 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.697 7.889 4.353 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.655 9.420 3.447 1.00 0.30 H new ATOM 1236 N VAL A 86 6.520 8.521 1.123 1.00 0.22 N ATOM 1237 CA VAL A 86 7.562 8.160 0.172 1.00 0.25 C ATOM 1238 C VAL A 86 8.925 8.091 0.852 1.00 0.24 C ATOM 1239 O VAL A 86 9.716 7.187 0.582 1.00 0.26 O ATOM 1240 CB VAL A 86 7.629 9.161 -0.997 1.00 0.30 C ATOM 1241 CG1 VAL A 86 8.693 8.744 -2.001 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.271 9.286 -1.670 1.00 0.34 C ATOM 0 H VAL A 86 6.069 9.417 0.936 1.00 0.22 H new ATOM 0 HA VAL A 86 7.306 7.176 -0.221 1.00 0.25 H new ATOM 0 HB VAL A 86 7.904 10.137 -0.598 1.00 0.30 H new ATOM 0 HG11 VAL A 86 8.724 9.464 -2.819 1.00 0.37 H new ATOM 0 HG12 VAL A 86 9.665 8.712 -1.509 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.453 7.757 -2.396 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.337 9.997 -2.493 1.00 0.34 H new ATOM 0 HG22 VAL A 86 5.965 8.313 -2.054 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.537 9.637 -0.945 1.00 0.34 H new ATOM 1252 N GLU A 87 9.196 9.051 1.733 1.00 0.25 N ATOM 1253 CA GLU A 87 10.464 9.089 2.453 1.00 0.26 C ATOM 1254 C GLU A 87 10.672 7.800 3.238 1.00 0.24 C ATOM 1255 O GLU A 87 11.759 7.224 3.230 1.00 0.26 O ATOM 1256 CB GLU A 87 10.508 10.290 3.402 1.00 0.32 C ATOM 1257 CG GLU A 87 10.441 11.630 2.691 1.00 0.75 C ATOM 1258 CD GLU A 87 10.495 12.803 3.652 1.00 1.04 C ATOM 1259 OE1 GLU A 87 9.431 13.184 4.184 1.00 1.51 O ATOM 1260 OE2 GLU A 87 11.601 13.340 3.872 1.00 1.19 O ATOM 0 H GLU A 87 8.556 9.811 1.964 1.00 0.25 H new ATOM 0 HA GLU A 87 11.266 9.189 1.722 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.677 10.219 4.104 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.425 10.245 3.989 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.268 11.705 1.985 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.520 11.683 2.110 1.00 0.75 H new ATOM 1267 N VAL A 88 9.617 7.354 3.915 1.00 0.22 N ATOM 1268 CA VAL A 88 9.673 6.130 4.705 1.00 0.22 C ATOM 1269 C VAL A 88 10.110 4.945 3.851 1.00 0.23 C ATOM 1270 O VAL A 88 11.080 4.259 4.172 1.00 0.25 O ATOM 1271 CB VAL A 88 8.304 5.808 5.342 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.308 4.416 5.958 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.940 6.856 6.383 1.00 0.27 C ATOM 0 H VAL A 88 8.712 7.824 3.931 1.00 0.22 H new ATOM 0 HA VAL A 88 10.405 6.298 5.495 1.00 0.22 H new ATOM 0 HB VAL A 88 7.549 5.828 4.556 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.333 4.211 6.401 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.518 3.677 5.185 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.076 4.362 6.730 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.972 6.613 6.821 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.699 6.871 7.165 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.888 7.836 5.909 1.00 0.27 H new ATOM 1283 N LEU A 89 9.383 4.710 2.763 1.00 0.24 N ATOM 1284 CA LEU A 89 9.684 3.603 1.866 1.00 0.28 C ATOM 1285 C LEU A 89 11.114 3.692 1.337 1.00 0.32 C ATOM 1286 O LEU A 89 11.740 2.672 1.043 1.00 0.39 O ATOM 1287 CB LEU A 89 8.696 3.582 0.698 1.00 0.32 C ATOM 1288 CG LEU A 89 7.223 3.462 1.095 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.330 3.592 -0.129 1.00 0.41 C ATOM 1290 CD2 LEU A 89 6.965 2.141 1.806 1.00 0.35 C ATOM 0 H LEU A 89 8.580 5.273 2.482 1.00 0.24 H new ATOM 0 HA LEU A 89 9.588 2.678 2.434 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.826 4.494 0.116 1.00 0.32 H new ATOM 0 HB3 LEU A 89 8.949 2.748 0.044 1.00 0.32 H new ATOM 0 HG LEU A 89 6.986 4.273 1.783 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.286 3.504 0.171 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.493 4.563 -0.597 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.570 2.802 -0.840 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.912 2.075 2.080 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.220 1.315 1.142 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.578 2.086 2.705 1.00 0.35 H new ATOM 1302 N ARG A 90 11.626 4.913 1.216 1.00 0.31 N ATOM 1303 CA ARG A 90 12.982 5.126 0.721 1.00 0.37 C ATOM 1304 C ARG A 90 14.007 4.961 1.839 1.00 0.37 C ATOM 1305 O ARG A 90 15.187 4.722 1.581 1.00 0.48 O ATOM 1306 CB ARG A 90 13.108 6.517 0.096 1.00 0.41 C ATOM 1307 CG ARG A 90 12.280 6.693 -1.167 1.00 0.49 C ATOM 1308 CD ARG A 90 12.535 8.042 -1.818 1.00 0.72 C ATOM 1309 NE ARG A 90 12.209 9.153 -0.928 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.849 10.317 -0.939 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.865 10.511 -1.772 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.479 11.287 -0.115 1.00 2.10 N ATOM 0 H ARG A 90 11.124 5.768 1.453 1.00 0.31 H new ATOM 0 HA ARG A 90 13.183 4.373 -0.041 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.802 7.264 0.828 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.156 6.708 -0.136 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.518 5.897 -1.873 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.221 6.599 -0.925 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.582 8.110 -2.112 1.00 0.72 H new ATOM 0 HD3 ARG A 90 11.942 8.122 -2.729 1.00 0.72 H new ATOM 0 HE ARG A 90 11.448 9.028 -0.261 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.155 9.766 -2.405 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.355 11.405 -1.779 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.702 11.140 0.529 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.972 12.180 -0.125 1.00 2.10 H new ATOM 1326 N ASN A 91 13.549 5.088 3.080 1.00 0.32 N ATOM 1327 CA ASN A 91 14.425 4.950 4.237 1.00 0.36 C ATOM 1328 C ASN A 91 14.545 3.488 4.655 1.00 0.36 C ATOM 1329 O ASN A 91 15.473 3.114 5.373 1.00 0.42 O ATOM 1330 CB ASN A 91 13.900 5.787 5.406 1.00 0.38 C ATOM 1331 CG ASN A 91 13.958 7.275 5.124 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.827 7.748 4.392 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.029 8.023 5.707 1.00 1.14 N ATOM 0 H ASN A 91 12.575 5.286 3.310 1.00 0.32 H new ATOM 0 HA ASN A 91 15.414 5.312 3.958 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.870 5.501 5.621 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.485 5.566 6.299 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.017 9.032 5.555 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.327 7.589 6.307 1.00 1.14 H new ATOM 1340 N ALA A 92 13.603 2.667 4.202 1.00 0.32 N ATOM 1341 CA ALA A 92 13.606 1.246 4.531 1.00 0.34 C ATOM 1342 C ALA A 92 14.855 0.561 3.984 1.00 0.46 C ATOM 1343 O ALA A 92 15.852 0.413 4.692 1.00 0.55 O ATOM 1344 CB ALA A 92 12.350 0.575 3.992 1.00 0.32 C ATOM 0 H ALA A 92 12.829 2.961 3.607 1.00 0.32 H new ATOM 0 HA ALA A 92 13.616 1.148 5.617 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.367 -0.485 4.245 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.470 1.040 4.436 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.313 0.689 2.909 1.00 0.32 H new ATOM 1350 N GLY A 93 14.797 0.145 2.721 1.00 0.53 N ATOM 1351 CA GLY A 93 15.934 -0.516 2.104 1.00 0.68 C ATOM 1352 C GLY A 93 16.322 -1.796 2.819 1.00 0.66 C ATOM 1353 O GLY A 93 17.465 -2.244 2.728 1.00 0.76 O ATOM 0 H GLY A 93 13.984 0.254 2.115 1.00 0.53 H new ATOM 0 HA2 GLY A 93 15.698 -0.742 1.064 1.00 0.68 H new ATOM 0 HA3 GLY A 93 16.785 0.164 2.097 1.00 0.68 H new ATOM 1357 N ASN A 94 15.370 -2.377 3.541 1.00 0.54 N ATOM 1358 CA ASN A 94 15.610 -3.609 4.287 1.00 0.54 C ATOM 1359 C ASN A 94 14.345 -4.471 4.338 1.00 0.43 C ATOM 1360 O ASN A 94 13.307 -4.069 3.814 1.00 0.39 O ATOM 1361 CB ASN A 94 16.086 -3.257 5.701 1.00 0.59 C ATOM 1362 CG ASN A 94 17.587 -3.043 5.766 1.00 1.57 C ATOM 1363 OD1 ASN A 94 18.325 -3.779 4.943 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 18.076 -2.230 6.551 1.00 2.52 N flip ATOM 0 H ASN A 94 14.421 -2.013 3.626 1.00 0.54 H new ATOM 0 HA ASN A 94 16.382 -4.189 3.782 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.577 -2.354 6.039 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.805 -4.057 6.386 1.00 0.59 H new ATOM 0 HD21 ASN A 94 17.470 -1.686 7.165 1.00 2.52 H new ATOM 0 HD22 ASN A 94 19.087 -2.101 6.587 1.00 2.52 H new ATOM 1371 N PRO A 95 14.414 -5.691 4.921 1.00 0.41 N ATOM 1372 CA PRO A 95 13.239 -6.564 5.046 1.00 0.35 C ATOM 1373 C PRO A 95 12.101 -5.875 5.791 1.00 0.32 C ATOM 1374 O PRO A 95 12.133 -5.750 7.016 1.00 0.45 O ATOM 1375 CB PRO A 95 13.759 -7.761 5.846 1.00 0.44 C ATOM 1376 CG PRO A 95 15.227 -7.775 5.598 1.00 0.64 C ATOM 1377 CD PRO A 95 15.632 -6.335 5.455 1.00 0.51 C ATOM 0 HA PRO A 95 12.827 -6.841 4.076 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.538 -7.653 6.908 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.293 -8.690 5.516 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.758 -8.251 6.422 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.466 -8.340 4.697 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.929 -5.904 6.411 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.478 -6.220 4.777 1.00 0.51 H new ATOM 1385 N VAL A 96 11.093 -5.429 5.045 1.00 0.28 N ATOM 1386 CA VAL A 96 9.953 -4.741 5.639 1.00 0.33 C ATOM 1387 C VAL A 96 8.632 -5.424 5.295 1.00 0.28 C ATOM 1388 O VAL A 96 8.486 -6.027 4.233 1.00 0.30 O ATOM 1389 CB VAL A 96 9.889 -3.273 5.178 1.00 0.41 C ATOM 1390 CG1 VAL A 96 11.090 -2.497 5.699 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.812 -3.190 3.661 1.00 0.38 C ATOM 0 H VAL A 96 11.044 -5.532 4.031 1.00 0.28 H new ATOM 0 HA VAL A 96 10.098 -4.780 6.719 1.00 0.33 H new ATOM 0 HB VAL A 96 8.986 -2.823 5.590 1.00 0.41 H new ATOM 0 HG11 VAL A 96 11.028 -1.462 5.363 1.00 0.64 H new ATOM 0 HG12 VAL A 96 11.097 -2.525 6.789 1.00 0.64 H new ATOM 0 HG13 VAL A 96 12.007 -2.947 5.319 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.768 -2.145 3.356 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.695 -3.658 3.226 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.918 -3.708 3.313 1.00 0.38 H new ATOM 1401 N ARG A 97 7.674 -5.317 6.211 1.00 0.24 N ATOM 1402 CA ARG A 97 6.357 -5.902 6.025 1.00 0.22 C ATOM 1403 C ARG A 97 5.404 -4.865 5.443 1.00 0.18 C ATOM 1404 O ARG A 97 5.473 -3.682 5.789 1.00 0.18 O ATOM 1405 CB ARG A 97 5.813 -6.427 7.355 1.00 0.27 C ATOM 1406 CG ARG A 97 4.482 -7.147 7.229 1.00 0.69 C ATOM 1407 CD ARG A 97 3.990 -7.648 8.578 1.00 0.71 C ATOM 1408 NE ARG A 97 3.764 -6.555 9.521 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.052 -6.681 10.637 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.494 -7.845 10.946 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.895 -5.641 11.445 1.00 2.37 N ATOM 0 H ARG A 97 7.791 -4.825 7.097 1.00 0.24 H new ATOM 0 HA ARG A 97 6.441 -6.737 5.330 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.544 -7.107 7.793 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.700 -5.592 8.046 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.742 -6.473 6.798 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.585 -7.988 6.543 1.00 0.69 H new ATOM 0 HD2 ARG A 97 3.063 -8.206 8.441 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.721 -8.341 8.995 1.00 0.71 H new ATOM 0 HE ARG A 97 4.175 -5.645 9.312 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.611 -8.647 10.327 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.949 -7.938 11.803 1.00 0.88 H new ATOM 0 HH21 ARG A 97 3.320 -4.744 11.210 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.349 -5.738 12.301 1.00 2.37 H new ATOM 1425 N LEU A 98 4.521 -5.312 4.559 1.00 0.19 N ATOM 1426 CA LEU A 98 3.564 -4.423 3.919 1.00 0.18 C ATOM 1427 C LEU A 98 2.130 -4.794 4.289 1.00 0.18 C ATOM 1428 O LEU A 98 1.653 -5.875 3.948 1.00 0.30 O ATOM 1429 CB LEU A 98 3.734 -4.485 2.400 1.00 0.23 C ATOM 1430 CG LEU A 98 5.123 -4.112 1.876 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.251 -4.480 0.406 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.390 -2.629 2.075 1.00 0.37 C ATOM 0 H LEU A 98 4.449 -6.287 4.269 1.00 0.19 H new ATOM 0 HA LEU A 98 3.757 -3.410 4.271 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.499 -5.496 2.067 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.002 -3.820 1.943 1.00 0.23 H new ATOM 0 HG LEU A 98 5.866 -4.674 2.442 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.244 -4.209 0.048 1.00 0.30 H new ATOM 0 HD12 LEU A 98 5.103 -5.553 0.285 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.498 -3.942 -0.171 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.382 -2.384 1.696 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.642 -2.049 1.535 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.338 -2.389 3.137 1.00 0.37 H new ATOM 1444 N LEU A 99 1.448 -3.891 4.990 1.00 0.18 N ATOM 1445 CA LEU A 99 0.064 -4.121 5.390 1.00 0.19 C ATOM 1446 C LEU A 99 -0.873 -3.222 4.594 1.00 0.19 C ATOM 1447 O LEU A 99 -0.986 -2.026 4.866 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.114 -3.871 6.891 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.525 -4.125 7.429 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.920 -5.581 7.232 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.610 -3.744 8.899 1.00 0.36 C ATOM 0 H LEU A 99 1.831 -2.995 5.292 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.184 -5.162 5.181 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.585 -4.506 7.435 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.160 -2.838 7.107 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.223 -3.502 6.870 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.926 -5.741 7.621 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.899 -5.823 6.169 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.219 -6.223 7.764 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.619 -3.931 9.265 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.900 -4.341 9.471 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.372 -2.687 9.015 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.545 -3.806 3.607 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.462 -3.054 2.759 1.00 0.23 C ATOM 1465 C LEU A 100 -3.795 -3.778 2.605 1.00 0.24 C ATOM 1466 O LEU A 100 -3.916 -4.956 2.938 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.833 -2.816 1.384 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.845 -3.891 0.917 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.525 -5.248 0.812 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.229 -3.499 -0.418 1.00 0.31 C ATOM 0 H LEU A 100 -1.472 -4.797 3.375 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.652 -2.094 3.239 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.632 -2.736 0.647 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.318 -1.856 1.401 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.051 -3.969 1.659 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.802 -5.992 0.479 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -1.918 -5.535 1.788 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.343 -5.190 0.094 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.470 -4.272 -0.737 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.016 -3.392 -1.164 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.301 -2.552 -0.310 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.793 -3.064 2.096 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.117 -3.637 1.894 1.00 0.29 C ATOM 1484 C ILE A 101 -6.523 -3.570 0.425 1.00 0.32 C ATOM 1485 O ILE A 101 -6.255 -2.581 -0.261 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.178 -2.917 2.752 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.514 -3.665 2.686 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.346 -1.475 2.291 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.564 -3.119 3.630 1.00 0.45 C ATOM 0 H ILE A 101 -4.709 -2.087 1.816 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.065 -4.681 2.204 1.00 0.29 H new ATOM 0 HB ILE A 101 -6.840 -2.908 3.788 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.896 -3.619 1.666 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.343 -4.717 2.916 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.098 -0.981 2.907 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.396 -0.949 2.387 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.664 -1.461 1.249 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.482 -3.698 3.527 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.203 -3.190 4.656 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.764 -2.075 3.387 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.166 -4.631 -0.052 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.615 -4.697 -1.438 1.00 0.46 C ATOM 1503 C ARG A 102 -9.078 -5.122 -1.503 1.00 0.60 C ATOM 1504 O ARG A 102 -9.461 -6.149 -0.942 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.750 -5.680 -2.233 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.380 -5.190 -3.627 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.611 -4.848 -4.453 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.263 -4.459 -5.817 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.147 -4.031 -6.714 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.430 -3.933 -6.394 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -7.747 -3.698 -7.934 1.00 2.20 N ATOM 0 H ARG A 102 -7.388 -5.458 0.502 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.517 -3.705 -1.879 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.836 -5.878 -1.674 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.282 -6.627 -2.321 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.742 -4.310 -3.545 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -5.800 -5.958 -4.140 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.280 -5.708 -4.481 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -8.156 -4.036 -3.972 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.284 -4.519 -6.098 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -9.743 -4.186 -5.457 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -10.104 -3.604 -7.085 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -6.761 -3.770 -8.185 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -8.425 -3.370 -8.621 1.00 2.20 H new