USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -114:sc= 0.167 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 28:sc= 0.23 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc=-0.00687 (180deg=-0.151) USER MOD Single : A 24 THR OG1 : rot 103:sc= 0.334 USER MOD Single : A 25 SER OG : rot -42:sc= 0.996 USER MOD Single : A 26 SER OG : rot -15:sc= 0.737 USER MOD Single : A 30 SER OG : rot -126:sc= 0.00251 USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-0.517) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00197 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0991 K(o=-0.099,f=-0.93) USER MOD Single : A 78 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.48) USER MOD Single : A 80 MET CE :methyl -135:sc= -1.48 (180deg=-3.92!) USER MOD Single : A 82 GLN : amide:sc= -0.0082 X(o=-0.0082,f=-0.41) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.735 K(o=-0.74,f=-1.8!) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.348 F(o=-2.3,f=0.35) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.728 -7.472 1.809 1.00 0.55 N ATOM 139 CA SER A 12 -9.929 -8.527 2.416 1.00 0.45 C ATOM 140 C SER A 12 -8.564 -7.998 2.843 1.00 0.39 C ATOM 141 O SER A 12 -7.908 -7.266 2.098 1.00 0.38 O ATOM 142 CB SER A 12 -9.757 -9.689 1.436 1.00 0.51 C ATOM 143 OG SER A 12 -8.910 -10.689 1.976 1.00 0.90 O ATOM 0 HA SER A 12 -10.453 -8.883 3.303 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.731 -10.120 1.203 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.339 -9.320 0.499 1.00 0.51 H new ATOM 0 HG SER A 12 -8.086 -10.739 1.448 1.00 0.90 H new ATOM 149 N LEU A 13 -8.146 -8.370 4.049 1.00 0.41 N ATOM 150 CA LEU A 13 -6.858 -7.938 4.579 1.00 0.40 C ATOM 151 C LEU A 13 -5.719 -8.720 3.934 1.00 0.45 C ATOM 152 O LEU A 13 -5.650 -9.944 4.050 1.00 0.68 O ATOM 153 CB LEU A 13 -6.822 -8.117 6.099 1.00 0.56 C ATOM 154 CG LEU A 13 -7.875 -7.320 6.871 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.884 -7.727 8.337 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.611 -5.829 6.733 1.00 0.79 C ATOM 0 H LEU A 13 -8.681 -8.970 4.677 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.729 -6.882 4.344 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.950 -9.175 6.328 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.834 -7.830 6.460 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.856 -7.540 6.449 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.639 -7.150 8.870 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.115 -8.789 8.418 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.904 -7.534 8.774 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.367 -5.273 7.287 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.624 -5.596 7.132 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.652 -5.548 5.681 1.00 0.79 H new ATOM 168 N TYR A 14 -4.829 -8.005 3.255 1.00 0.36 N ATOM 169 CA TYR A 14 -3.693 -8.631 2.589 1.00 0.50 C ATOM 170 C TYR A 14 -2.374 -8.092 3.135 1.00 0.31 C ATOM 171 O TYR A 14 -2.190 -6.882 3.261 1.00 0.37 O ATOM 172 CB TYR A 14 -3.773 -8.396 1.079 1.00 0.80 C ATOM 173 CG TYR A 14 -4.770 -9.292 0.375 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.420 -10.582 -0.004 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.058 -8.849 0.086 1.00 0.71 C ATOM 176 CE1 TYR A 14 -5.322 -11.406 -0.651 1.00 1.90 C ATOM 177 CE2 TYR A 14 -6.963 -9.670 -0.560 1.00 1.34 C ATOM 178 CZ TYR A 14 -6.591 -10.947 -0.926 1.00 1.98 C ATOM 179 OH TYR A 14 -7.490 -11.764 -1.569 1.00 2.73 O ATOM 0 H TYR A 14 -4.872 -6.991 3.151 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.731 -9.702 2.786 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.041 -7.355 0.896 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.786 -8.553 0.643 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -3.427 -10.947 0.210 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.354 -7.850 0.371 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.033 -12.406 -0.940 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -7.959 -9.313 -0.778 1.00 1.34 H new ATOM 0 HH TYR A 14 -8.339 -11.288 -1.686 1.00 2.73 H new ATOM 189 N SER A 15 -1.456 -8.998 3.457 1.00 0.43 N ATOM 190 CA SER A 15 -0.154 -8.609 3.990 1.00 0.38 C ATOM 191 C SER A 15 0.963 -9.431 3.356 1.00 0.33 C ATOM 192 O SER A 15 0.917 -10.661 3.356 1.00 0.41 O ATOM 193 CB SER A 15 -0.130 -8.778 5.510 1.00 0.59 C ATOM 194 OG SER A 15 -0.386 -10.123 5.878 1.00 1.19 O ATOM 0 H SER A 15 -1.589 -10.005 3.359 1.00 0.43 H new ATOM 0 HA SER A 15 0.011 -7.559 3.746 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.841 -8.470 5.898 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.876 -8.125 5.963 1.00 0.59 H new ATOM 0 HG SER A 15 -0.092 -10.721 5.159 1.00 1.19 H new ATOM 200 N VAL A 16 1.965 -8.743 2.816 1.00 0.32 N ATOM 201 CA VAL A 16 3.094 -9.413 2.177 1.00 0.33 C ATOM 202 C VAL A 16 4.417 -8.920 2.752 1.00 0.31 C ATOM 203 O VAL A 16 4.577 -7.734 3.038 1.00 0.44 O ATOM 204 CB VAL A 16 3.093 -9.189 0.653 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.154 -10.052 -0.014 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.717 -9.477 0.072 1.00 0.56 C ATOM 0 H VAL A 16 2.019 -7.724 2.808 1.00 0.32 H new ATOM 0 HA VAL A 16 2.986 -10.479 2.378 1.00 0.33 H new ATOM 0 HB VAL A 16 3.332 -8.144 0.457 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.139 -9.881 -1.090 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.136 -9.792 0.381 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.948 -11.103 0.189 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.735 -9.313 -1.005 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.445 -10.512 0.277 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.983 -8.812 0.527 1.00 0.56 H new ATOM 216 N GLU A 17 5.364 -9.838 2.916 1.00 0.33 N ATOM 217 CA GLU A 17 6.672 -9.496 3.465 1.00 0.34 C ATOM 218 C GLU A 17 7.695 -9.250 2.362 1.00 0.32 C ATOM 219 O GLU A 17 8.025 -10.153 1.592 1.00 0.38 O ATOM 220 CB GLU A 17 7.165 -10.612 4.387 1.00 0.45 C ATOM 221 CG GLU A 17 6.266 -10.847 5.589 1.00 0.71 C ATOM 222 CD GLU A 17 6.750 -11.987 6.465 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.346 -13.142 6.216 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.535 -11.723 7.400 1.00 1.74 O ATOM 0 H GLU A 17 5.251 -10.823 2.677 1.00 0.33 H new ATOM 0 HA GLU A 17 6.560 -8.574 4.036 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.243 -11.537 3.815 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.168 -10.367 4.736 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.213 -9.934 6.183 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.254 -11.062 5.245 1.00 0.71 H new ATOM 231 N LEU A 18 8.191 -8.019 2.292 1.00 0.31 N ATOM 232 CA LEU A 18 9.189 -7.643 1.296 1.00 0.34 C ATOM 233 C LEU A 18 10.502 -7.281 1.980 1.00 0.38 C ATOM 234 O LEU A 18 10.546 -7.098 3.195 1.00 0.68 O ATOM 235 CB LEU A 18 8.695 -6.463 0.451 1.00 0.40 C ATOM 236 CG LEU A 18 7.770 -6.824 -0.719 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.481 -7.740 -1.703 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.489 -7.470 -0.214 1.00 0.71 C ATOM 0 H LEU A 18 7.916 -7.261 2.917 1.00 0.31 H new ATOM 0 HA LEU A 18 9.353 -8.495 0.636 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.169 -5.767 1.104 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.562 -5.935 0.055 1.00 0.40 H new ATOM 0 HG LEU A 18 7.505 -5.904 -1.239 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.808 -7.984 -2.525 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.365 -7.237 -2.095 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.781 -8.657 -1.195 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.848 -7.718 -1.060 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.732 -8.380 0.335 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.967 -6.776 0.445 1.00 0.71 H new ATOM 250 N PHE A 19 11.573 -7.185 1.201 1.00 0.41 N ATOM 251 CA PHE A 19 12.880 -6.848 1.750 1.00 0.43 C ATOM 252 C PHE A 19 13.702 -6.038 0.755 1.00 0.49 C ATOM 253 O PHE A 19 13.936 -6.475 -0.372 1.00 0.59 O ATOM 254 CB PHE A 19 13.635 -8.121 2.146 1.00 0.48 C ATOM 255 CG PHE A 19 13.635 -9.184 1.082 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.556 -10.040 0.938 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.716 -9.323 0.225 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.555 -11.017 -0.041 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.721 -10.298 -0.755 1.00 2.08 C ATOM 260 CZ PHE A 19 13.632 -11.150 -0.882 1.00 1.94 C ATOM 0 H PHE A 19 11.562 -7.335 0.192 1.00 0.41 H new ATOM 0 HA PHE A 19 12.724 -6.237 2.639 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.666 -7.861 2.386 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.190 -8.529 3.053 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.706 -9.944 1.597 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.564 -8.662 0.324 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.706 -11.676 -0.144 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.568 -10.397 -1.418 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.632 -11.917 -1.642 1.00 1.94 H new ATOM 270 N ARG A 20 14.135 -4.850 1.175 1.00 0.52 N ATOM 271 CA ARG A 20 14.934 -3.994 0.305 1.00 0.66 C ATOM 272 C ARG A 20 16.421 -4.188 0.577 1.00 0.68 C ATOM 273 O ARG A 20 16.977 -3.594 1.500 1.00 0.83 O ATOM 274 CB ARG A 20 14.557 -2.522 0.491 1.00 0.73 C ATOM 275 CG ARG A 20 14.933 -1.653 -0.701 1.00 0.99 C ATOM 276 CD ARG A 20 14.609 -0.190 -0.454 1.00 1.19 C ATOM 277 NE ARG A 20 15.477 0.395 0.562 1.00 1.60 N ATOM 278 CZ ARG A 20 15.895 1.656 0.541 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.526 2.465 -0.443 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.685 2.110 1.504 1.00 3.06 N ATOM 0 H ARG A 20 13.948 -4.464 2.100 1.00 0.52 H new ATOM 0 HA ARG A 20 14.725 -4.279 -0.726 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.483 -2.447 0.663 1.00 0.73 H new ATOM 0 HB3 ARG A 20 15.050 -2.137 1.383 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.998 -1.760 -0.908 1.00 0.99 H new ATOM 0 HG3 ARG A 20 14.400 -1.999 -1.586 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.713 0.367 -1.385 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.569 -0.096 -0.141 1.00 1.19 H new ATOM 0 HE ARG A 20 15.781 -0.199 1.334 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.919 2.120 -1.187 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.849 3.433 -0.456 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.973 1.491 2.262 1.00 3.06 H new ATOM 0 HH22 ARG A 20 17.005 3.078 1.487 1.00 3.06 H new ATOM 294 N GLU A 21 17.056 -5.027 -0.233 1.00 0.82 N ATOM 295 CA GLU A 21 18.479 -5.308 -0.081 1.00 0.93 C ATOM 296 C GLU A 21 19.280 -4.652 -1.201 1.00 1.16 C ATOM 297 O GLU A 21 20.488 -4.447 -1.077 1.00 1.57 O ATOM 298 CB GLU A 21 18.720 -6.819 -0.080 1.00 1.09 C ATOM 299 CG GLU A 21 20.139 -7.214 0.295 1.00 1.62 C ATOM 300 CD GLU A 21 20.517 -6.772 1.696 1.00 2.00 C ATOM 301 OE1 GLU A 21 20.278 -7.547 2.646 1.00 2.21 O ATOM 302 OE2 GLU A 21 21.051 -5.654 1.842 1.00 2.58 O ATOM 0 H GLU A 21 16.608 -5.525 -1.002 1.00 0.82 H new ATOM 0 HA GLU A 21 18.812 -4.894 0.871 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.026 -7.288 0.618 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.492 -7.214 -1.070 1.00 1.09 H new ATOM 0 HG2 GLU A 21 20.243 -8.296 0.219 1.00 1.62 H new ATOM 0 HG3 GLU A 21 20.835 -6.776 -0.420 1.00 1.62 H new ATOM 309 N LYS A 22 18.595 -4.325 -2.291 1.00 1.11 N ATOM 310 CA LYS A 22 19.235 -3.690 -3.439 1.00 1.40 C ATOM 311 C LYS A 22 19.367 -2.186 -3.222 1.00 1.31 C ATOM 312 O LYS A 22 18.534 -1.569 -2.557 1.00 1.38 O ATOM 313 CB LYS A 22 18.434 -3.963 -4.716 1.00 1.65 C ATOM 314 CG LYS A 22 18.513 -5.403 -5.202 1.00 2.00 C ATOM 315 CD LYS A 22 17.706 -6.343 -4.319 1.00 2.54 C ATOM 316 CE LYS A 22 17.636 -7.741 -4.912 1.00 3.05 C ATOM 317 NZ LYS A 22 18.989 -8.313 -5.150 1.00 3.72 N ATOM 0 H LYS A 22 17.595 -4.489 -2.405 1.00 1.11 H new ATOM 0 HA LYS A 22 20.233 -4.115 -3.548 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.389 -3.707 -4.539 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.794 -3.304 -5.506 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.145 -5.461 -6.226 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.554 -5.724 -5.218 1.00 2.00 H new ATOM 0 HD2 LYS A 22 18.157 -6.389 -3.328 1.00 2.54 H new ATOM 0 HD3 LYS A 22 16.697 -5.949 -4.193 1.00 2.54 H new ATOM 0 HE2 LYS A 22 17.080 -8.393 -4.239 1.00 3.05 H new ATOM 0 HE3 LYS A 22 17.085 -7.709 -5.852 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 18.900 -9.312 -5.426 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 19.460 -7.784 -5.912 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 19.554 -8.243 -4.279 1.00 3.72 H new ATOM 331 N ASP A 23 20.419 -1.601 -3.789 1.00 1.46 N ATOM 332 CA ASP A 23 20.662 -0.167 -3.657 1.00 1.51 C ATOM 333 C ASP A 23 19.905 0.616 -4.726 1.00 1.31 C ATOM 334 O ASP A 23 20.467 1.491 -5.385 1.00 1.58 O ATOM 335 CB ASP A 23 22.161 0.126 -3.752 1.00 1.91 C ATOM 336 CG ASP A 23 22.778 -0.418 -5.025 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.180 -1.602 -5.032 1.00 2.58 O ATOM 338 OD2 ASP A 23 22.858 0.338 -6.016 1.00 2.87 O ATOM 0 H ASP A 23 21.116 -2.097 -4.344 1.00 1.46 H new ATOM 0 HA ASP A 23 20.299 0.151 -2.680 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.321 1.203 -3.706 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.668 -0.309 -2.891 1.00 1.91 H new ATOM 343 N THR A 24 18.625 0.296 -4.890 1.00 1.02 N ATOM 344 CA THR A 24 17.787 0.964 -5.879 1.00 0.98 C ATOM 345 C THR A 24 17.153 2.227 -5.302 1.00 1.01 C ATOM 346 O THR A 24 16.560 3.023 -6.030 1.00 1.16 O ATOM 347 CB THR A 24 16.673 0.033 -6.392 1.00 1.17 C ATOM 348 OG1 THR A 24 15.799 -0.323 -5.315 1.00 1.38 O ATOM 349 CG2 THR A 24 17.263 -1.226 -7.010 1.00 1.19 C ATOM 0 H THR A 24 18.145 -0.423 -4.349 1.00 1.02 H new ATOM 0 HA THR A 24 18.437 1.235 -6.711 1.00 0.98 H new ATOM 0 HB THR A 24 16.108 0.565 -7.158 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.970 0.195 -5.382 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.458 -1.869 -7.365 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.906 -0.954 -7.847 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.849 -1.759 -6.261 1.00 1.19 H new ATOM 357 N SER A 25 17.283 2.397 -3.988 1.00 1.05 N ATOM 358 CA SER A 25 16.731 3.561 -3.299 1.00 1.35 C ATOM 359 C SER A 25 15.223 3.667 -3.513 1.00 1.17 C ATOM 360 O SER A 25 14.636 4.736 -3.341 1.00 1.39 O ATOM 361 CB SER A 25 17.420 4.840 -3.782 1.00 1.79 C ATOM 362 OG SER A 25 16.959 5.972 -3.065 1.00 2.45 O ATOM 0 H SER A 25 17.768 1.740 -3.377 1.00 1.05 H new ATOM 0 HA SER A 25 16.915 3.437 -2.232 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.499 4.743 -3.660 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.231 4.979 -4.846 1.00 1.79 H new ATOM 0 HG SER A 25 15.988 5.910 -2.945 1.00 2.45 H new ATOM 368 N SER A 26 14.601 2.551 -3.885 1.00 0.84 N ATOM 369 CA SER A 26 13.161 2.520 -4.123 1.00 0.72 C ATOM 370 C SER A 26 12.616 1.102 -3.988 1.00 0.58 C ATOM 371 O SER A 26 13.365 0.128 -4.060 1.00 0.69 O ATOM 372 CB SER A 26 12.843 3.071 -5.515 1.00 0.81 C ATOM 373 OG SER A 26 13.268 4.418 -5.640 1.00 1.40 O ATOM 0 H SER A 26 15.071 1.657 -4.028 1.00 0.84 H new ATOM 0 HA SER A 26 12.680 3.146 -3.372 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.334 2.460 -6.272 1.00 0.81 H new ATOM 0 HB3 SER A 26 11.771 3.006 -5.699 1.00 0.81 H new ATOM 0 HG SER A 26 13.453 4.786 -4.751 1.00 1.40 H new ATOM 379 N LEU A 27 11.305 0.995 -3.792 1.00 0.42 N ATOM 380 CA LEU A 27 10.652 -0.301 -3.647 1.00 0.32 C ATOM 381 C LEU A 27 9.717 -0.570 -4.821 1.00 0.29 C ATOM 382 O LEU A 27 9.279 -1.700 -5.032 1.00 0.41 O ATOM 383 CB LEU A 27 9.866 -0.362 -2.335 1.00 0.35 C ATOM 384 CG LEU A 27 10.717 -0.467 -1.066 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.853 -0.285 0.173 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.437 -1.806 -1.019 1.00 0.43 C ATOM 0 H LEU A 27 10.673 1.793 -3.730 1.00 0.42 H new ATOM 0 HA LEU A 27 11.426 -1.068 -3.633 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.243 0.530 -2.262 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.193 -1.219 -2.373 1.00 0.35 H new ATOM 0 HG LEU A 27 11.463 0.327 -1.085 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.475 -0.363 1.065 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.379 0.696 0.145 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.085 -1.058 0.198 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.037 -1.865 -0.111 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.705 -2.613 -1.022 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.086 -1.901 -1.890 1.00 0.43 H new ATOM 398 N GLY A 28 9.416 0.479 -5.581 1.00 0.29 N ATOM 399 CA GLY A 28 8.534 0.340 -6.724 1.00 0.31 C ATOM 400 C GLY A 28 7.090 0.651 -6.381 1.00 0.29 C ATOM 401 O GLY A 28 6.169 0.101 -6.983 1.00 0.52 O ATOM 0 H GLY A 28 9.768 1.423 -5.425 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.867 1.006 -7.520 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.602 -0.677 -7.110 1.00 0.31 H new ATOM 405 N ILE A 29 6.898 1.539 -5.410 1.00 0.35 N ATOM 406 CA ILE A 29 5.560 1.928 -4.979 1.00 0.32 C ATOM 407 C ILE A 29 5.245 3.362 -5.396 1.00 0.30 C ATOM 408 O ILE A 29 5.806 4.313 -4.852 1.00 0.35 O ATOM 409 CB ILE A 29 5.412 1.800 -3.450 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.703 0.364 -3.007 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.017 2.224 -3.013 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.737 0.184 -1.503 1.00 0.84 C ATOM 0 H ILE A 29 7.654 2.003 -4.906 1.00 0.35 H new ATOM 0 HA ILE A 29 4.855 1.252 -5.464 1.00 0.32 H new ATOM 0 HB ILE A 29 6.135 2.462 -2.973 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.944 -0.297 -3.426 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.661 0.052 -3.423 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.930 2.127 -1.931 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.846 3.262 -3.300 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.275 1.587 -3.495 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.948 -0.859 -1.266 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.516 0.818 -1.078 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.772 0.463 -1.081 1.00 0.84 H new ATOM 424 N SER A 30 4.344 3.510 -6.366 1.00 0.27 N ATOM 425 CA SER A 30 3.958 4.830 -6.851 1.00 0.29 C ATOM 426 C SER A 30 2.521 5.155 -6.455 1.00 0.28 C ATOM 427 O SER A 30 1.570 4.692 -7.089 1.00 0.35 O ATOM 428 CB SER A 30 4.115 4.906 -8.372 1.00 0.33 C ATOM 429 OG SER A 30 3.670 6.157 -8.868 1.00 0.95 O ATOM 0 H SER A 30 3.870 2.734 -6.829 1.00 0.27 H new ATOM 0 HA SER A 30 4.617 5.567 -6.391 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.161 4.756 -8.641 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.547 4.102 -8.840 1.00 0.33 H new ATOM 0 HG SER A 30 3.007 6.012 -9.575 1.00 0.95 H new ATOM 435 N ILE A 31 2.371 5.951 -5.402 1.00 0.25 N ATOM 436 CA ILE A 31 1.054 6.339 -4.914 1.00 0.27 C ATOM 437 C ILE A 31 0.602 7.657 -5.536 1.00 0.31 C ATOM 438 O ILE A 31 1.322 8.258 -6.333 1.00 0.41 O ATOM 439 CB ILE A 31 1.041 6.477 -3.379 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.108 7.477 -2.925 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.260 5.120 -2.727 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.053 7.797 -1.446 1.00 0.39 C ATOM 0 H ILE A 31 3.148 6.341 -4.869 1.00 0.25 H new ATOM 0 HA ILE A 31 0.364 5.548 -5.206 1.00 0.27 H new ATOM 0 HB ILE A 31 0.067 6.854 -3.068 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.093 7.077 -3.165 1.00 0.31 H new ATOM 0 HG13 ILE A 31 1.992 8.401 -3.492 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.249 5.231 -1.643 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.465 4.438 -3.030 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.223 4.717 -3.040 1.00 0.35 H new ATOM 0 HD11 ILE A 31 2.838 8.511 -1.199 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.081 8.227 -1.203 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.200 6.883 -0.870 1.00 0.39 H new ATOM 454 N SER A 32 -0.594 8.099 -5.162 1.00 0.37 N ATOM 455 CA SER A 32 -1.147 9.345 -5.679 1.00 0.44 C ATOM 456 C SER A 32 -1.768 10.172 -4.558 1.00 0.55 C ATOM 457 O SER A 32 -2.466 9.639 -3.695 1.00 0.59 O ATOM 458 CB SER A 32 -2.196 9.052 -6.754 1.00 0.48 C ATOM 459 OG SER A 32 -3.267 8.290 -6.227 1.00 1.32 O ATOM 0 H SER A 32 -1.200 7.612 -4.502 1.00 0.37 H new ATOM 0 HA SER A 32 -0.333 9.920 -6.121 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.577 9.989 -7.159 1.00 0.48 H new ATOM 0 HB3 SER A 32 -1.733 8.512 -7.580 1.00 0.48 H new ATOM 0 HG SER A 32 -3.924 8.118 -6.933 1.00 1.32 H new ATOM 465 N GLY A 33 -1.508 11.476 -4.577 1.00 0.70 N ATOM 466 CA GLY A 33 -2.047 12.358 -3.557 1.00 0.87 C ATOM 467 C GLY A 33 -3.557 12.471 -3.629 1.00 0.88 C ATOM 468 O GLY A 33 -4.092 13.215 -4.452 1.00 0.95 O ATOM 0 H GLY A 33 -0.933 11.938 -5.281 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -1.760 11.989 -2.573 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -1.606 13.349 -3.667 1.00 0.87 H new ATOM 634 N ILE A 46 -4.009 6.900 1.793 1.00 0.46 N ATOM 635 CA ILE A 46 -2.950 6.666 0.817 1.00 0.39 C ATOM 636 C ILE A 46 -3.165 5.341 0.092 1.00 0.39 C ATOM 637 O ILE A 46 -3.399 4.309 0.721 1.00 0.57 O ATOM 638 CB ILE A 46 -1.561 6.663 1.490 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.290 8.012 2.165 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.473 6.343 0.474 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.252 9.185 1.205 1.00 0.55 C ATOM 0 HA ILE A 46 -2.988 7.481 0.094 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.551 5.887 2.255 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.061 8.193 2.914 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.338 7.957 2.694 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.499 6.346 0.968 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.657 5.360 0.041 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.480 7.094 -0.316 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -1.056 10.103 1.759 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.462 9.029 0.470 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -2.211 9.268 0.694 1.00 0.55 H new ATOM 653 N TYR A 47 -3.084 5.375 -1.236 1.00 0.30 N ATOM 654 CA TYR A 47 -3.277 4.176 -2.043 1.00 0.30 C ATOM 655 C TYR A 47 -2.378 4.194 -3.278 1.00 0.26 C ATOM 656 O TYR A 47 -2.115 5.251 -3.852 1.00 0.29 O ATOM 657 CB TYR A 47 -4.746 4.054 -2.462 1.00 0.36 C ATOM 658 CG TYR A 47 -5.196 5.116 -3.440 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.468 6.409 -3.010 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.348 4.828 -4.789 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.877 7.385 -3.900 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.756 5.798 -5.685 1.00 0.57 C ATOM 663 CZ TYR A 47 -6.026 7.068 -5.240 1.00 0.58 C ATOM 664 OH TYR A 47 -6.426 8.044 -6.124 1.00 0.70 O ATOM 0 H TYR A 47 -2.886 6.219 -1.774 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.005 3.312 -1.438 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.906 3.072 -2.908 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.373 4.105 -1.572 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.358 6.656 -1.964 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -5.144 3.829 -5.145 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.079 8.388 -3.553 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.862 5.557 -6.732 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.483 7.665 -7.026 1.00 0.70 H new ATOM 674 N VAL A 48 -1.909 3.014 -3.678 1.00 0.26 N ATOM 675 CA VAL A 48 -1.041 2.889 -4.843 1.00 0.25 C ATOM 676 C VAL A 48 -1.855 2.864 -6.133 1.00 0.28 C ATOM 677 O VAL A 48 -2.804 2.089 -6.265 1.00 0.39 O ATOM 678 CB VAL A 48 -0.177 1.615 -4.769 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.695 1.480 -6.008 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.675 1.626 -3.512 1.00 0.29 C ATOM 0 H VAL A 48 -2.117 2.131 -3.211 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.387 3.761 -4.845 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.841 0.752 -4.729 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.296 0.574 -5.933 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.062 1.424 -6.894 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.353 2.346 -6.086 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.279 0.720 -3.474 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.329 2.498 -3.523 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.029 1.668 -2.635 1.00 0.29 H new ATOM 690 N LYS A 49 -1.469 3.711 -7.082 1.00 0.31 N ATOM 691 CA LYS A 49 -2.159 3.795 -8.362 1.00 0.38 C ATOM 692 C LYS A 49 -1.378 3.065 -9.452 1.00 0.32 C ATOM 693 O LYS A 49 -1.950 2.629 -10.452 1.00 0.37 O ATOM 694 CB LYS A 49 -2.362 5.260 -8.760 1.00 0.49 C ATOM 695 CG LYS A 49 -3.198 5.440 -10.017 1.00 0.61 C ATOM 696 CD LYS A 49 -3.239 6.895 -10.460 1.00 0.84 C ATOM 697 CE LYS A 49 -1.891 7.354 -10.994 1.00 1.65 C ATOM 698 NZ LYS A 49 -1.447 6.538 -12.157 1.00 2.40 N ATOM 0 H LYS A 49 -0.680 4.350 -6.987 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.132 3.315 -8.254 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.842 5.788 -7.936 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.388 5.725 -8.912 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.787 4.827 -10.819 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.213 5.086 -9.833 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -3.999 7.020 -11.232 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.532 7.524 -9.619 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -1.955 8.401 -11.289 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -1.146 7.291 -10.201 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -0.729 7.063 -12.695 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -1.040 5.643 -11.818 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -2.262 6.337 -12.771 1.00 2.40 H new ATOM 712 N SER A 50 -0.069 2.934 -9.253 1.00 0.28 N ATOM 713 CA SER A 50 0.785 2.258 -10.225 1.00 0.35 C ATOM 714 C SER A 50 2.042 1.696 -9.565 1.00 0.28 C ATOM 715 O SER A 50 2.473 2.170 -8.512 1.00 0.25 O ATOM 716 CB SER A 50 1.176 3.222 -11.346 1.00 0.49 C ATOM 717 OG SER A 50 1.878 4.341 -10.834 1.00 1.28 O ATOM 0 H SER A 50 0.422 3.286 -8.431 1.00 0.28 H new ATOM 0 HA SER A 50 0.219 1.426 -10.644 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.796 2.703 -12.077 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.281 3.558 -11.869 1.00 0.49 H new ATOM 0 HG SER A 50 2.118 4.941 -11.570 1.00 1.28 H new ATOM 723 N LEU A 51 2.623 0.681 -10.198 1.00 0.32 N ATOM 724 CA LEU A 51 3.834 0.046 -9.688 1.00 0.27 C ATOM 725 C LEU A 51 5.006 0.283 -10.637 1.00 0.27 C ATOM 726 O LEU A 51 4.811 0.649 -11.797 1.00 0.42 O ATOM 727 CB LEU A 51 3.608 -1.457 -9.503 1.00 0.30 C ATOM 728 CG LEU A 51 2.459 -1.833 -8.563 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.235 -3.338 -8.571 1.00 0.40 C ATOM 730 CD2 LEU A 51 2.740 -1.346 -7.149 1.00 0.32 C ATOM 0 H LEU A 51 2.273 0.280 -11.068 1.00 0.32 H new ATOM 0 HA LEU A 51 4.072 0.491 -8.722 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.418 -1.902 -10.479 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.527 -1.902 -9.123 1.00 0.30 H new ATOM 0 HG LEU A 51 1.552 -1.345 -8.920 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.415 -3.587 -7.898 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.987 -3.664 -9.581 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.143 -3.843 -8.240 1.00 0.40 H new ATOM 0 HD21 LEU A 51 1.911 -1.623 -6.497 1.00 0.32 H new ATOM 0 HD22 LEU A 51 3.659 -1.804 -6.782 1.00 0.32 H new ATOM 0 HD23 LEU A 51 2.851 -0.262 -7.153 1.00 0.32 H new ATOM 742 N ILE A 52 6.220 0.071 -10.140 1.00 0.24 N ATOM 743 CA ILE A 52 7.421 0.265 -10.945 1.00 0.24 C ATOM 744 C ILE A 52 8.089 -1.071 -11.275 1.00 0.23 C ATOM 745 O ILE A 52 8.771 -1.651 -10.430 1.00 0.28 O ATOM 746 CB ILE A 52 8.432 1.174 -10.227 1.00 0.27 C ATOM 747 CG1 ILE A 52 7.775 2.515 -9.893 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.671 1.377 -11.092 1.00 0.31 C ATOM 749 CD1 ILE A 52 8.677 3.464 -9.143 1.00 1.26 C ATOM 0 H ILE A 52 6.398 -0.235 -9.184 1.00 0.24 H new ATOM 0 HA ILE A 52 7.108 0.744 -11.873 1.00 0.24 H new ATOM 0 HB ILE A 52 8.744 0.698 -9.298 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.451 2.991 -10.819 1.00 0.36 H new ATOM 0 HG13 ILE A 52 6.880 2.333 -9.298 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.377 2.023 -10.570 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.139 0.413 -11.290 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.384 1.841 -12.036 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.142 4.392 -8.942 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.981 3.009 -8.200 1.00 1.26 H new ATOM 0 HD13 ILE A 52 9.561 3.678 -9.744 1.00 1.26 H new ATOM 761 N PRO A 53 7.900 -1.580 -12.511 1.00 0.31 N ATOM 762 CA PRO A 53 8.492 -2.853 -12.941 1.00 0.35 C ATOM 763 C PRO A 53 9.997 -2.912 -12.695 1.00 0.34 C ATOM 764 O PRO A 53 10.690 -1.898 -12.787 1.00 0.46 O ATOM 765 CB PRO A 53 8.198 -2.895 -14.443 1.00 0.43 C ATOM 766 CG PRO A 53 6.988 -2.046 -14.615 1.00 0.82 C ATOM 767 CD PRO A 53 7.093 -0.960 -13.581 1.00 0.47 C ATOM 0 HA PRO A 53 8.080 -3.696 -12.386 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.038 -2.510 -15.022 1.00 0.43 H new ATOM 0 HB3 PRO A 53 8.018 -3.915 -14.783 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.946 -1.625 -15.620 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.078 -2.630 -14.476 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.575 -0.069 -13.982 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.111 -0.655 -13.218 1.00 0.47 H new ATOM 775 N GLY A 54 10.493 -4.105 -12.383 1.00 0.39 N ATOM 776 CA GLY A 54 11.913 -4.278 -12.131 1.00 0.41 C ATOM 777 C GLY A 54 12.269 -4.112 -10.666 1.00 0.39 C ATOM 778 O GLY A 54 13.299 -4.611 -10.212 1.00 0.49 O ATOM 0 H GLY A 54 9.937 -4.956 -12.300 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.220 -5.269 -12.466 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.474 -3.554 -12.722 1.00 0.41 H new ATOM 782 N SER A 55 11.416 -3.412 -9.925 1.00 0.35 N ATOM 783 CA SER A 55 11.650 -3.180 -8.505 1.00 0.35 C ATOM 784 C SER A 55 11.229 -4.389 -7.675 1.00 0.32 C ATOM 785 O SER A 55 10.793 -5.404 -8.217 1.00 0.36 O ATOM 786 CB SER A 55 10.893 -1.936 -8.034 1.00 0.37 C ATOM 787 OG SER A 55 11.342 -0.778 -8.716 1.00 1.23 O ATOM 0 H SER A 55 10.557 -2.996 -10.285 1.00 0.35 H new ATOM 0 HA SER A 55 12.719 -3.021 -8.364 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.825 -2.071 -8.203 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.032 -1.807 -6.961 1.00 0.37 H new ATOM 0 HG SER A 55 10.842 0.003 -8.399 1.00 1.23 H new ATOM 793 N ALA A 56 11.359 -4.271 -6.359 1.00 0.35 N ATOM 794 CA ALA A 56 10.997 -5.355 -5.453 1.00 0.36 C ATOM 795 C ALA A 56 9.494 -5.617 -5.468 1.00 0.32 C ATOM 796 O ALA A 56 9.053 -6.741 -5.710 1.00 0.34 O ATOM 797 CB ALA A 56 11.461 -5.033 -4.041 1.00 0.42 C ATOM 0 H ALA A 56 11.713 -3.435 -5.895 1.00 0.35 H new ATOM 0 HA ALA A 56 11.496 -6.261 -5.797 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.186 -5.849 -3.373 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.544 -4.907 -4.034 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.987 -4.112 -3.703 1.00 0.42 H new ATOM 803 N ALA A 57 8.715 -4.571 -5.207 1.00 0.30 N ATOM 804 CA ALA A 57 7.259 -4.678 -5.180 1.00 0.30 C ATOM 805 C ALA A 57 6.710 -5.289 -6.468 1.00 0.30 C ATOM 806 O ALA A 57 5.781 -6.096 -6.435 1.00 0.35 O ATOM 807 CB ALA A 57 6.638 -3.310 -4.941 1.00 0.32 C ATOM 0 H ALA A 57 9.070 -3.635 -5.010 1.00 0.30 H new ATOM 0 HA ALA A 57 6.992 -5.344 -4.360 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.552 -3.402 -4.923 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.985 -2.915 -3.986 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.932 -2.632 -5.743 1.00 0.32 H new ATOM 813 N ALA A 58 7.291 -4.903 -7.600 1.00 0.31 N ATOM 814 CA ALA A 58 6.851 -5.409 -8.898 1.00 0.33 C ATOM 815 C ALA A 58 7.218 -6.881 -9.077 1.00 0.34 C ATOM 816 O ALA A 58 6.415 -7.673 -9.571 1.00 0.44 O ATOM 817 CB ALA A 58 7.448 -4.576 -10.020 1.00 0.37 C ATOM 0 H ALA A 58 8.067 -4.242 -7.646 1.00 0.31 H new ATOM 0 HA ALA A 58 5.765 -5.329 -8.936 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.111 -4.965 -10.981 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.126 -3.540 -9.915 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.536 -4.625 -9.970 1.00 0.37 H new ATOM 823 N LEU A 59 8.434 -7.238 -8.678 1.00 0.35 N ATOM 824 CA LEU A 59 8.905 -8.614 -8.798 1.00 0.39 C ATOM 825 C LEU A 59 8.192 -9.524 -7.804 1.00 0.42 C ATOM 826 O LEU A 59 8.168 -10.744 -7.971 1.00 0.57 O ATOM 827 CB LEU A 59 10.418 -8.680 -8.579 1.00 0.47 C ATOM 828 CG LEU A 59 11.263 -8.034 -9.680 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.729 -8.004 -9.279 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.086 -8.779 -10.995 1.00 0.61 C ATOM 0 H LEU A 59 9.111 -6.594 -8.269 1.00 0.35 H new ATOM 0 HA LEU A 59 8.677 -8.962 -9.806 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.654 -8.196 -7.631 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.710 -9.726 -8.485 1.00 0.47 H new ATOM 0 HG LEU A 59 10.922 -7.008 -9.817 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.314 -7.541 -10.074 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.843 -7.427 -8.361 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.082 -9.022 -9.114 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.694 -8.306 -11.766 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.400 -9.816 -10.871 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.037 -8.750 -11.291 1.00 0.61 H new ATOM 842 N ASP A 60 7.614 -8.922 -6.770 1.00 0.44 N ATOM 843 CA ASP A 60 6.901 -9.674 -5.744 1.00 0.52 C ATOM 844 C ASP A 60 5.745 -10.464 -6.351 1.00 0.61 C ATOM 845 O ASP A 60 5.665 -11.683 -6.198 1.00 0.79 O ATOM 846 CB ASP A 60 6.379 -8.726 -4.664 1.00 0.74 C ATOM 847 CG ASP A 60 5.745 -9.464 -3.502 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.493 -9.960 -2.636 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.499 -9.546 -3.459 1.00 1.86 O ATOM 0 H ASP A 60 7.626 -7.913 -6.620 1.00 0.44 H new ATOM 0 HA ASP A 60 7.598 -10.380 -5.293 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.201 -8.112 -4.296 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.647 -8.048 -5.103 1.00 0.74 H new ATOM 854 N GLY A 61 4.852 -9.759 -7.041 1.00 0.72 N ATOM 855 CA GLY A 61 3.717 -10.410 -7.669 1.00 1.06 C ATOM 856 C GLY A 61 2.432 -10.252 -6.878 1.00 0.83 C ATOM 857 O GLY A 61 1.396 -9.889 -7.436 1.00 0.94 O ATOM 0 H GLY A 61 4.895 -8.749 -7.176 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.575 -9.998 -8.668 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.935 -11.471 -7.790 1.00 1.06 H new ATOM 861 N ARG A 62 2.498 -10.525 -5.578 1.00 0.63 N ATOM 862 CA ARG A 62 1.327 -10.417 -4.712 1.00 0.59 C ATOM 863 C ARG A 62 0.735 -9.011 -4.759 1.00 0.52 C ATOM 864 O ARG A 62 -0.475 -8.833 -4.626 1.00 0.69 O ATOM 865 CB ARG A 62 1.692 -10.777 -3.269 1.00 0.67 C ATOM 866 CG ARG A 62 2.203 -12.199 -3.104 1.00 0.81 C ATOM 867 CD ARG A 62 1.109 -13.220 -3.371 1.00 1.05 C ATOM 868 NE ARG A 62 -0.028 -13.051 -2.470 1.00 1.31 N ATOM 869 CZ ARG A 62 -1.018 -13.930 -2.358 1.00 1.93 C ATOM 870 NH1 ARG A 62 -1.010 -15.041 -3.082 1.00 2.26 N ATOM 871 NH2 ARG A 62 -2.020 -13.698 -1.520 1.00 2.59 N ATOM 0 H ARG A 62 3.349 -10.822 -5.101 1.00 0.63 H new ATOM 0 HA ARG A 62 0.578 -11.120 -5.078 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.453 -10.083 -2.912 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.815 -10.640 -2.637 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.035 -12.369 -3.787 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.588 -12.333 -2.093 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.771 -13.128 -4.403 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.515 -14.225 -3.258 1.00 1.05 H new ATOM 0 HE ARG A 62 -0.064 -12.210 -1.894 1.00 1.31 H new ATOM 0 HH11 ARG A 62 -0.242 -15.223 -3.728 1.00 2.26 H new ATOM 0 HH12 ARG A 62 -1.772 -15.713 -2.993 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -2.031 -12.845 -0.961 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -2.780 -14.373 -1.434 1.00 2.59 H new ATOM 885 N ILE A 63 1.595 -8.016 -4.950 1.00 0.48 N ATOM 886 CA ILE A 63 1.156 -6.627 -5.015 1.00 0.48 C ATOM 887 C ILE A 63 0.515 -6.316 -6.365 1.00 0.49 C ATOM 888 O ILE A 63 1.100 -6.579 -7.417 1.00 0.59 O ATOM 889 CB ILE A 63 2.330 -5.657 -4.767 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.004 -5.976 -3.429 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.842 -4.215 -4.792 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.273 -5.190 -3.183 1.00 0.92 C ATOM 0 H ILE A 63 2.600 -8.146 -5.063 1.00 0.48 H new ATOM 0 HA ILE A 63 0.413 -6.488 -4.229 1.00 0.48 H new ATOM 0 HB ILE A 63 3.063 -5.783 -5.563 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.300 -5.775 -2.621 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.234 -7.041 -3.393 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.682 -3.543 -4.615 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.401 -3.997 -5.765 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.093 -4.071 -4.014 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.693 -5.470 -2.217 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.995 -5.409 -3.970 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.047 -4.124 -3.185 1.00 0.92 H new ATOM 904 N GLU A 64 -0.691 -5.755 -6.326 1.00 0.51 N ATOM 905 CA GLU A 64 -1.421 -5.411 -7.542 1.00 0.58 C ATOM 906 C GLU A 64 -1.830 -3.935 -7.532 1.00 0.56 C ATOM 907 O GLU A 64 -2.260 -3.416 -6.502 1.00 0.66 O ATOM 908 CB GLU A 64 -2.662 -6.300 -7.672 1.00 0.79 C ATOM 909 CG GLU A 64 -3.568 -5.933 -8.836 1.00 1.09 C ATOM 910 CD GLU A 64 -4.781 -6.838 -8.935 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.741 -6.630 -8.163 1.00 1.67 O ATOM 912 OE2 GLU A 64 -4.770 -7.752 -9.785 1.00 1.98 O ATOM 0 H GLU A 64 -1.184 -5.529 -5.462 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.767 -5.578 -8.398 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.343 -7.336 -7.786 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.235 -6.243 -6.747 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.897 -4.900 -8.724 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.001 -5.988 -9.765 1.00 1.09 H new ATOM 919 N PRO A 65 -1.698 -3.238 -8.681 1.00 0.56 N ATOM 920 CA PRO A 65 -2.062 -1.819 -8.792 1.00 0.64 C ATOM 921 C PRO A 65 -3.484 -1.544 -8.316 1.00 0.72 C ATOM 922 O PRO A 65 -4.281 -2.467 -8.144 1.00 1.44 O ATOM 923 CB PRO A 65 -1.936 -1.534 -10.291 1.00 0.77 C ATOM 924 CG PRO A 65 -0.954 -2.537 -10.783 1.00 0.83 C ATOM 925 CD PRO A 65 -1.181 -3.772 -9.958 1.00 0.62 C ATOM 0 HA PRO A 65 -1.428 -1.188 -8.170 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.896 -1.638 -10.796 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.589 -0.517 -10.473 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -1.103 -2.742 -11.843 1.00 0.83 H new ATOM 0 HG3 PRO A 65 0.067 -2.173 -10.669 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.896 -4.446 -10.431 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.259 -4.335 -9.815 1.00 0.62 H new ATOM 933 N ASN A 66 -3.794 -0.266 -8.108 1.00 0.60 N ATOM 934 CA ASN A 66 -5.119 0.141 -7.647 1.00 0.59 C ATOM 935 C ASN A 66 -5.437 -0.487 -6.293 1.00 0.51 C ATOM 936 O ASN A 66 -6.533 -1.009 -6.079 1.00 0.73 O ATOM 937 CB ASN A 66 -6.187 -0.245 -8.674 1.00 0.66 C ATOM 938 CG ASN A 66 -5.964 0.424 -10.015 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.286 -0.117 -10.888 1.00 2.15 O ATOM 940 ND2 ASN A 66 -6.536 1.611 -10.186 1.00 2.01 N ATOM 0 H ASN A 66 -3.144 0.507 -8.252 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.120 1.225 -7.533 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.187 -1.327 -8.806 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.171 0.029 -8.293 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -6.421 2.110 -11.068 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.090 2.023 -9.435 1.00 2.01 H new ATOM 947 N ASP A 67 -4.470 -0.430 -5.385 1.00 0.36 N ATOM 948 CA ASP A 67 -4.637 -0.989 -4.047 1.00 0.34 C ATOM 949 C ASP A 67 -4.519 0.106 -2.992 1.00 0.30 C ATOM 950 O ASP A 67 -3.958 1.169 -3.254 1.00 0.38 O ATOM 951 CB ASP A 67 -3.589 -2.074 -3.792 1.00 0.41 C ATOM 952 CG ASP A 67 -3.746 -2.721 -2.430 1.00 1.17 C ATOM 953 OD1 ASP A 67 -4.608 -3.614 -2.294 1.00 2.02 O ATOM 954 OD2 ASP A 67 -3.009 -2.332 -1.501 1.00 1.46 O ATOM 0 H ASP A 67 -3.559 -0.001 -5.551 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.630 -1.433 -3.981 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.666 -2.838 -4.565 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.593 -1.639 -3.872 1.00 0.41 H new ATOM 959 N LYS A 68 -5.047 -0.157 -1.800 1.00 0.27 N ATOM 960 CA LYS A 68 -4.999 0.818 -0.717 1.00 0.28 C ATOM 961 C LYS A 68 -3.962 0.427 0.331 1.00 0.26 C ATOM 962 O LYS A 68 -3.961 -0.698 0.828 1.00 0.38 O ATOM 963 CB LYS A 68 -6.376 0.958 -0.064 1.00 0.37 C ATOM 964 CG LYS A 68 -6.405 1.952 1.086 1.00 0.53 C ATOM 965 CD LYS A 68 -7.797 2.075 1.685 1.00 0.53 C ATOM 966 CE LYS A 68 -7.814 3.051 2.851 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.177 3.201 3.432 1.00 1.02 N ATOM 0 H LYS A 68 -5.511 -1.033 -1.561 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.708 1.778 -1.144 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.098 1.268 -0.820 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.697 -0.018 0.302 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.703 1.637 1.858 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.073 2.928 0.732 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.497 2.409 0.919 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.137 1.096 2.023 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.127 2.706 3.623 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.454 4.023 2.515 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.145 3.875 4.224 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.828 3.555 2.703 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.511 2.278 3.776 1.00 1.02 H new ATOM 981 N ILE A 69 -3.081 1.366 0.659 1.00 0.24 N ATOM 982 CA ILE A 69 -2.040 1.127 1.651 1.00 0.21 C ATOM 983 C ILE A 69 -2.484 1.611 3.026 1.00 0.21 C ATOM 984 O ILE A 69 -3.143 2.643 3.147 1.00 0.29 O ATOM 985 CB ILE A 69 -0.724 1.834 1.270 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.304 1.457 -0.154 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.374 1.485 2.264 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.062 -0.026 -0.352 1.00 0.28 C ATOM 0 H ILE A 69 -3.067 2.301 0.251 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.866 0.051 1.680 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.888 2.911 1.304 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.077 1.785 -0.849 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.605 2.001 -0.410 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.296 1.992 1.980 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.076 1.805 3.262 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.537 0.407 2.262 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.231 -0.212 -1.385 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.733 -0.357 0.316 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.976 -0.577 -0.130 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.117 0.861 4.060 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.483 1.215 5.425 1.00 0.21 C ATOM 1002 C LEU A 70 -1.257 1.636 6.232 1.00 0.20 C ATOM 1003 O LEU A 70 -1.056 2.821 6.511 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.175 0.034 6.108 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.400 -0.518 5.373 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -4.887 -1.797 6.035 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.512 0.518 5.334 1.00 0.38 C ATOM 0 H LEU A 70 -1.567 0.006 3.978 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.171 2.060 5.382 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.450 -0.771 6.228 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.479 0.341 7.109 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.110 -0.749 4.348 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -5.758 -2.175 5.500 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.094 -2.544 6.011 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.159 -1.590 7.070 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.374 0.107 4.808 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.800 0.781 6.352 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.161 1.409 4.814 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.434 0.660 6.599 1.00 0.20 N ATOM 1020 CA ARG A 71 0.761 0.935 7.382 1.00 0.25 C ATOM 1021 C ARG A 71 1.898 -0.025 7.037 1.00 0.18 C ATOM 1022 O ARG A 71 1.687 -1.227 6.860 1.00 0.26 O ATOM 1023 CB ARG A 71 0.436 0.846 8.875 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.196 -0.475 9.282 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.532 -0.500 10.765 1.00 0.77 C ATOM 1026 NE ARG A 71 -1.506 0.528 11.123 1.00 1.38 N ATOM 1027 CZ ARG A 71 -2.131 0.573 12.295 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.886 -0.346 13.219 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -3.006 1.539 12.545 1.00 2.61 N ATOM 0 H ARG A 71 -0.573 -0.324 6.367 1.00 0.20 H new ATOM 0 HA ARG A 71 1.094 1.944 7.138 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.352 0.993 9.447 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.239 1.659 9.141 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.103 -0.640 8.700 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.486 -1.293 9.049 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -0.926 -1.481 11.031 1.00 0.77 H new ATOM 0 HD3 ARG A 71 0.379 -0.354 11.346 1.00 0.77 H new ATOM 0 HE ARG A 71 -1.718 1.251 10.436 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.215 -1.091 13.032 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -2.368 -0.307 14.117 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -3.199 2.248 11.837 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -3.485 1.573 13.445 1.00 2.61 H new ATOM 1043 N VAL A 72 3.102 0.527 6.934 1.00 0.21 N ATOM 1044 CA VAL A 72 4.292 -0.256 6.632 1.00 0.17 C ATOM 1045 C VAL A 72 4.857 -0.856 7.920 1.00 0.17 C ATOM 1046 O VAL A 72 4.334 -0.602 9.003 1.00 0.20 O ATOM 1047 CB VAL A 72 5.369 0.612 5.943 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.430 -0.253 5.276 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.729 1.545 4.927 1.00 0.28 C ATOM 0 H VAL A 72 3.279 1.524 7.057 1.00 0.21 H new ATOM 0 HA VAL A 72 4.010 -1.057 5.948 1.00 0.17 H new ATOM 0 HB VAL A 72 5.858 1.212 6.710 1.00 0.20 H new ATOM 0 HG11 VAL A 72 7.174 0.386 4.800 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.915 -0.877 6.026 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.962 -0.888 4.524 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.501 2.149 4.451 1.00 0.28 H new ATOM 0 HG22 VAL A 72 4.210 0.957 4.170 1.00 0.28 H new ATOM 0 HG23 VAL A 72 4.017 2.198 5.431 1.00 0.28 H new ATOM 1059 N ASP A 73 5.901 -1.667 7.797 1.00 0.18 N ATOM 1060 CA ASP A 73 6.534 -2.303 8.953 1.00 0.21 C ATOM 1061 C ASP A 73 6.728 -1.325 10.117 1.00 0.22 C ATOM 1062 O ASP A 73 7.565 -0.423 10.051 1.00 0.23 O ATOM 1063 CB ASP A 73 7.887 -2.888 8.548 1.00 0.26 C ATOM 1064 CG ASP A 73 8.360 -3.969 9.498 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.030 -3.630 10.497 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.061 -5.154 9.243 1.00 0.79 O ATOM 0 H ASP A 73 6.332 -1.903 6.903 1.00 0.18 H new ATOM 0 HA ASP A 73 5.868 -3.096 9.293 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.814 -3.300 7.541 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.628 -2.090 8.513 1.00 0.26 H new ATOM 1071 N ASP A 74 5.944 -1.515 11.179 1.00 0.25 N ATOM 1072 CA ASP A 74 6.027 -0.677 12.378 1.00 0.29 C ATOM 1073 C ASP A 74 5.933 0.816 12.055 1.00 0.25 C ATOM 1074 O ASP A 74 6.464 1.649 12.790 1.00 0.29 O ATOM 1075 CB ASP A 74 7.331 -0.957 13.128 1.00 0.35 C ATOM 1076 CG ASP A 74 7.402 -2.375 13.658 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.810 -3.276 12.894 1.00 2.01 O ATOM 1078 OD2 ASP A 74 7.046 -2.587 14.837 1.00 1.34 O ATOM 0 H ASP A 74 5.238 -2.249 11.234 1.00 0.25 H new ATOM 0 HA ASP A 74 5.173 -0.934 13.005 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.175 -0.779 12.462 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.427 -0.257 13.958 1.00 0.35 H new ATOM 1083 N VAL A 75 5.254 1.151 10.963 1.00 0.27 N ATOM 1084 CA VAL A 75 5.093 2.546 10.556 1.00 0.27 C ATOM 1085 C VAL A 75 3.763 2.753 9.839 1.00 0.37 C ATOM 1086 O VAL A 75 3.338 1.913 9.050 1.00 0.79 O ATOM 1087 CB VAL A 75 6.235 3.012 9.625 1.00 0.36 C ATOM 1088 CG1 VAL A 75 6.025 4.457 9.197 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.590 2.849 10.298 1.00 0.41 C ATOM 0 H VAL A 75 4.806 0.477 10.343 1.00 0.27 H new ATOM 0 HA VAL A 75 5.119 3.140 11.469 1.00 0.27 H new ATOM 0 HB VAL A 75 6.219 2.382 8.736 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.840 4.765 8.542 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.078 4.545 8.664 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.006 5.098 10.078 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.375 3.184 9.621 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.618 3.446 11.210 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.749 1.800 10.547 1.00 0.41 H new ATOM 1099 N ASN A 76 3.107 3.875 10.120 1.00 0.30 N ATOM 1100 CA ASN A 76 1.832 4.198 9.486 1.00 0.37 C ATOM 1101 C ASN A 76 2.053 5.191 8.352 1.00 0.42 C ATOM 1102 O ASN A 76 2.881 6.093 8.469 1.00 0.58 O ATOM 1103 CB ASN A 76 0.859 4.779 10.514 1.00 0.46 C ATOM 1104 CG ASN A 76 0.670 3.865 11.709 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -0.205 3.000 11.713 1.00 2.24 O ATOM 1106 ND2 ASN A 76 1.495 4.054 12.734 1.00 2.08 N ATOM 0 H ASN A 76 3.437 4.576 10.783 1.00 0.30 H new ATOM 0 HA ASN A 76 1.401 3.284 9.078 1.00 0.37 H new ATOM 0 HB2 ASN A 76 1.228 5.746 10.854 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.106 4.956 10.038 1.00 0.46 H new ATOM 0 HD21 ASN A 76 1.416 3.470 13.566 1.00 2.08 H new ATOM 0 HD22 ASN A 76 2.207 4.783 12.688 1.00 2.08 H new ATOM 1113 N VAL A 77 1.317 5.029 7.253 1.00 0.35 N ATOM 1114 CA VAL A 77 1.471 5.922 6.108 1.00 0.43 C ATOM 1115 C VAL A 77 0.161 6.608 5.735 1.00 0.53 C ATOM 1116 O VAL A 77 0.160 7.598 5.002 1.00 0.67 O ATOM 1117 CB VAL A 77 2.009 5.168 4.878 1.00 0.47 C ATOM 1118 CG1 VAL A 77 3.434 4.700 5.122 1.00 0.45 C ATOM 1119 CG2 VAL A 77 1.104 3.995 4.534 1.00 0.53 C ATOM 0 H VAL A 77 0.617 4.297 7.133 1.00 0.35 H new ATOM 0 HA VAL A 77 2.190 6.683 6.411 1.00 0.43 H new ATOM 0 HB VAL A 77 2.017 5.851 4.029 1.00 0.47 H new ATOM 0 HG11 VAL A 77 3.798 4.169 4.242 1.00 0.45 H new ATOM 0 HG12 VAL A 77 4.072 5.562 5.315 1.00 0.45 H new ATOM 0 HG13 VAL A 77 3.455 4.032 5.983 1.00 0.45 H new ATOM 0 HG21 VAL A 77 1.500 3.474 3.662 1.00 0.53 H new ATOM 0 HG22 VAL A 77 1.062 3.308 5.379 1.00 0.53 H new ATOM 0 HG23 VAL A 77 0.101 4.361 4.314 1.00 0.53 H new ATOM 1129 N GLN A 78 -0.950 6.082 6.235 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.256 6.658 5.943 1.00 0.72 C ATOM 1131 C GLN A 78 -2.596 7.765 6.935 1.00 0.61 C ATOM 1132 O GLN A 78 -3.767 8.053 7.185 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.335 5.575 5.971 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.446 4.857 7.308 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.358 3.642 7.258 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.129 2.656 7.959 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.403 3.703 6.436 1.00 1.05 N ATOM 0 H GLN A 78 -0.973 5.262 6.841 1.00 0.59 H new ATOM 0 HA GLN A 78 -2.219 7.092 4.944 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -4.297 6.027 5.730 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -3.123 4.843 5.192 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.452 4.545 7.630 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -3.820 5.554 8.058 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -5.559 4.538 5.871 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.048 2.915 6.371 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.561 8.383 7.496 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.763 9.452 8.453 1.00 0.48 C ATOM 1148 C GLY A 79 -0.758 10.575 8.291 1.00 0.41 C ATOM 1149 O GLY A 79 -0.771 11.544 9.049 1.00 0.55 O ATOM 0 H GLY A 79 -0.584 8.161 7.303 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.771 9.852 8.339 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.692 9.049 9.463 1.00 0.48 H new ATOM 1153 N MET A 80 0.119 10.442 7.299 1.00 0.32 N ATOM 1154 CA MET A 80 1.135 11.456 7.038 1.00 0.33 C ATOM 1155 C MET A 80 1.044 11.955 5.600 1.00 0.30 C ATOM 1156 O MET A 80 0.293 11.410 4.791 1.00 0.34 O ATOM 1157 CB MET A 80 2.532 10.893 7.306 1.00 0.39 C ATOM 1158 CG MET A 80 2.697 10.311 8.700 1.00 0.46 C ATOM 1159 SD MET A 80 4.370 9.713 9.012 1.00 0.52 S ATOM 1160 CE MET A 80 4.556 8.502 7.705 1.00 0.48 C ATOM 0 H MET A 80 0.146 9.644 6.665 1.00 0.32 H new ATOM 0 HA MET A 80 0.956 12.295 7.710 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.750 10.119 6.570 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.267 11.685 7.163 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.444 11.071 9.439 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.992 9.490 8.832 1.00 0.46 H new ATOM 0 HE1 MET A 80 5.000 7.593 8.111 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.579 8.270 7.282 1.00 0.48 H new ATOM 0 HE3 MET A 80 5.203 8.904 6.925 1.00 0.48 H new ATOM 1170 N ALA A 81 1.811 12.995 5.289 1.00 0.29 N ATOM 1171 CA ALA A 81 1.815 13.562 3.947 1.00 0.31 C ATOM 1172 C ALA A 81 2.464 12.608 2.949 1.00 0.26 C ATOM 1173 O ALA A 81 3.083 11.616 3.339 1.00 0.23 O ATOM 1174 CB ALA A 81 2.526 14.906 3.941 1.00 0.39 C ATOM 0 H ALA A 81 2.436 13.461 5.947 1.00 0.29 H new ATOM 0 HA ALA A 81 0.780 13.714 3.641 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.520 15.316 2.931 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.012 15.592 4.614 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.556 14.774 4.273 1.00 0.39 H new ATOM 1180 N GLN A 82 2.320 12.909 1.664 1.00 0.33 N ATOM 1181 CA GLN A 82 2.891 12.072 0.616 1.00 0.35 C ATOM 1182 C GLN A 82 4.406 11.960 0.773 1.00 0.31 C ATOM 1183 O GLN A 82 4.964 10.864 0.714 1.00 0.31 O ATOM 1184 CB GLN A 82 2.546 12.639 -0.763 1.00 0.42 C ATOM 1185 CG GLN A 82 3.048 11.782 -1.915 1.00 0.51 C ATOM 1186 CD GLN A 82 2.587 12.293 -3.267 1.00 0.76 C ATOM 1187 OE1 GLN A 82 2.392 13.494 -3.458 1.00 1.52 O ATOM 1188 NE2 GLN A 82 2.406 11.379 -4.214 1.00 0.74 N ATOM 0 H GLN A 82 1.813 13.726 1.323 1.00 0.33 H new ATOM 0 HA GLN A 82 2.462 11.074 0.707 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.464 12.744 -0.843 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.971 13.639 -0.853 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.137 11.754 -1.894 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.700 10.758 -1.780 1.00 0.51 H new ATOM 0 HE21 GLN A 82 2.580 10.394 -4.012 1.00 0.74 H new ATOM 0 HE22 GLN A 82 2.094 11.662 -5.143 1.00 0.74 H new ATOM 1197 N SER A 83 5.061 13.098 0.980 1.00 0.32 N ATOM 1198 CA SER A 83 6.511 13.133 1.144 1.00 0.35 C ATOM 1199 C SER A 83 6.964 12.209 2.271 1.00 0.30 C ATOM 1200 O SER A 83 8.057 11.646 2.222 1.00 0.35 O ATOM 1201 CB SER A 83 6.975 14.563 1.426 1.00 0.44 C ATOM 1202 OG SER A 83 6.623 15.433 0.366 1.00 1.48 O ATOM 0 H SER A 83 4.610 14.011 1.038 1.00 0.32 H new ATOM 0 HA SER A 83 6.962 12.783 0.215 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.527 14.917 2.355 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.056 14.576 1.568 1.00 0.44 H new ATOM 0 HG SER A 83 6.930 16.341 0.572 1.00 1.48 H new ATOM 1208 N ASP A 84 6.118 12.057 3.286 1.00 0.24 N ATOM 1209 CA ASP A 84 6.435 11.202 4.426 1.00 0.24 C ATOM 1210 C ASP A 84 6.373 9.728 4.039 1.00 0.20 C ATOM 1211 O ASP A 84 7.195 8.924 4.479 1.00 0.24 O ATOM 1212 CB ASP A 84 5.475 11.476 5.585 1.00 0.27 C ATOM 1213 CG ASP A 84 5.630 12.877 6.144 1.00 1.03 C ATOM 1214 OD1 ASP A 84 4.993 13.805 5.605 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.387 13.044 7.123 1.00 0.97 O ATOM 0 H ASP A 84 5.208 12.514 3.342 1.00 0.24 H new ATOM 0 HA ASP A 84 7.452 11.433 4.744 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.449 11.335 5.245 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.651 10.750 6.378 1.00 0.27 H new ATOM 1220 N VAL A 85 5.392 9.376 3.218 1.00 0.19 N ATOM 1221 CA VAL A 85 5.228 7.997 2.774 1.00 0.22 C ATOM 1222 C VAL A 85 6.377 7.575 1.863 1.00 0.21 C ATOM 1223 O VAL A 85 6.829 6.430 1.902 1.00 0.24 O ATOM 1224 CB VAL A 85 3.897 7.804 2.025 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.710 6.346 1.629 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.730 8.289 2.872 1.00 0.30 C ATOM 0 H VAL A 85 4.698 10.025 2.846 1.00 0.19 H new ATOM 0 HA VAL A 85 5.227 7.373 3.668 1.00 0.22 H new ATOM 0 HB VAL A 85 3.926 8.402 1.114 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.763 6.231 1.101 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.528 6.038 0.978 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.704 5.724 2.524 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.798 8.144 2.325 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.696 7.723 3.803 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.858 9.348 3.096 1.00 0.30 H new ATOM 1236 N VAL A 86 6.851 8.514 1.049 1.00 0.22 N ATOM 1237 CA VAL A 86 7.939 8.240 0.117 1.00 0.25 C ATOM 1238 C VAL A 86 9.266 8.042 0.845 1.00 0.24 C ATOM 1239 O VAL A 86 9.994 7.089 0.568 1.00 0.26 O ATOM 1240 CB VAL A 86 8.092 9.375 -0.914 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.198 9.053 -1.907 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.776 9.620 -1.637 1.00 0.34 C ATOM 0 H VAL A 86 6.499 9.471 1.016 1.00 0.22 H new ATOM 0 HA VAL A 86 7.680 7.317 -0.402 1.00 0.25 H new ATOM 0 HB VAL A 86 8.366 10.286 -0.383 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.290 9.867 -2.626 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.141 8.932 -1.374 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.957 8.129 -2.433 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.903 10.425 -2.361 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.471 8.711 -2.155 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.010 9.900 -0.914 1.00 0.34 H new ATOM 1252 N GLU A 87 9.578 8.941 1.775 1.00 0.25 N ATOM 1253 CA GLU A 87 10.826 8.854 2.525 1.00 0.26 C ATOM 1254 C GLU A 87 10.922 7.529 3.281 1.00 0.24 C ATOM 1255 O GLU A 87 11.986 6.915 3.330 1.00 0.26 O ATOM 1256 CB GLU A 87 10.964 10.031 3.496 1.00 0.32 C ATOM 1257 CG GLU A 87 9.910 10.059 4.589 1.00 0.75 C ATOM 1258 CD GLU A 87 10.139 11.173 5.591 1.00 1.04 C ATOM 1259 OE1 GLU A 87 10.935 10.972 6.531 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.521 12.248 5.435 1.00 1.51 O ATOM 0 H GLU A 87 8.987 9.734 2.026 1.00 0.25 H new ATOM 0 HA GLU A 87 11.646 8.899 1.808 1.00 0.26 H new ATOM 0 HB2 GLU A 87 11.950 9.993 3.958 1.00 0.32 H new ATOM 0 HB3 GLU A 87 10.912 10.962 2.932 1.00 0.32 H new ATOM 0 HG2 GLU A 87 8.926 10.179 4.136 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.907 9.102 5.110 1.00 0.75 H new ATOM 1267 N VAL A 88 9.808 7.093 3.866 1.00 0.22 N ATOM 1268 CA VAL A 88 9.777 5.836 4.612 1.00 0.22 C ATOM 1269 C VAL A 88 10.149 4.657 3.718 1.00 0.23 C ATOM 1270 O VAL A 88 11.064 3.889 4.029 1.00 0.25 O ATOM 1271 CB VAL A 88 8.388 5.579 5.231 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.287 4.157 5.768 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.098 6.589 6.330 1.00 0.27 C ATOM 0 H VAL A 88 8.917 7.590 3.838 1.00 0.22 H new ATOM 0 HA VAL A 88 10.510 5.928 5.413 1.00 0.22 H new ATOM 0 HB VAL A 88 7.640 5.698 4.447 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.298 4.000 6.199 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.444 3.449 4.954 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.046 4.003 6.535 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.114 6.392 6.755 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.854 6.504 7.111 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.118 7.596 5.913 1.00 0.27 H new ATOM 1283 N LEU A 89 9.431 4.518 2.609 1.00 0.24 N ATOM 1284 CA LEU A 89 9.678 3.430 1.670 1.00 0.28 C ATOM 1285 C LEU A 89 11.126 3.445 1.183 1.00 0.32 C ATOM 1286 O LEU A 89 11.681 2.404 0.829 1.00 0.39 O ATOM 1287 CB LEU A 89 8.721 3.533 0.480 1.00 0.32 C ATOM 1288 CG LEU A 89 7.233 3.489 0.840 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.378 3.824 -0.372 1.00 0.41 C ATOM 1290 CD2 LEU A 89 6.859 2.123 1.395 1.00 0.35 C ATOM 0 H LEU A 89 8.673 5.145 2.338 1.00 0.24 H new ATOM 0 HA LEU A 89 9.503 2.487 2.188 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.924 4.463 -0.050 1.00 0.32 H new ATOM 0 HB3 LEU A 89 8.936 2.718 -0.212 1.00 0.32 H new ATOM 0 HG LEU A 89 7.045 4.238 1.610 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.324 3.787 -0.095 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.625 4.825 -0.726 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.570 3.101 -1.164 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.798 2.110 1.645 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.065 1.358 0.647 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.446 1.921 2.291 1.00 0.35 H new ATOM 1302 N ARG A 90 11.732 4.628 1.169 1.00 0.31 N ATOM 1303 CA ARG A 90 13.114 4.777 0.724 1.00 0.37 C ATOM 1304 C ARG A 90 14.097 4.600 1.880 1.00 0.37 C ATOM 1305 O ARG A 90 15.295 4.422 1.663 1.00 0.48 O ATOM 1306 CB ARG A 90 13.317 6.147 0.074 1.00 0.41 C ATOM 1307 CG ARG A 90 12.519 6.339 -1.204 1.00 0.49 C ATOM 1308 CD ARG A 90 12.722 7.731 -1.781 1.00 0.72 C ATOM 1309 NE ARG A 90 12.302 8.773 -0.850 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.789 10.010 -0.858 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.722 10.356 -1.735 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.344 10.904 0.016 1.00 2.10 N ATOM 0 H ARG A 90 11.288 5.498 1.461 1.00 0.31 H new ATOM 0 HA ARG A 90 13.311 3.996 -0.010 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.037 6.923 0.787 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.376 6.282 -0.145 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.820 5.592 -1.938 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.460 6.178 -1.001 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.774 7.870 -2.031 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.158 7.825 -2.709 1.00 0.72 H new ATOM 0 HE ARG A 90 11.595 8.539 -0.153 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.069 9.672 -2.407 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.093 11.306 -1.737 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.628 10.642 0.694 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.718 11.853 0.010 1.00 2.10 H new ATOM 1326 N ASN A 91 13.585 4.657 3.106 1.00 0.32 N ATOM 1327 CA ASN A 91 14.423 4.504 4.292 1.00 0.36 C ATOM 1328 C ASN A 91 14.450 3.054 4.762 1.00 0.36 C ATOM 1329 O ASN A 91 15.237 2.693 5.638 1.00 0.42 O ATOM 1330 CB ASN A 91 13.924 5.404 5.423 1.00 0.38 C ATOM 1331 CG ASN A 91 14.182 6.874 5.155 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.133 7.232 4.460 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.336 7.735 5.710 1.00 1.14 N ATOM 0 H ASN A 91 12.596 4.808 3.304 1.00 0.32 H new ATOM 0 HA ASN A 91 15.436 4.800 4.021 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.855 5.246 5.563 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.413 5.117 6.354 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.461 8.737 5.567 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.561 7.394 6.279 1.00 1.14 H new ATOM 1340 N ALA A 92 13.581 2.231 4.182 1.00 0.32 N ATOM 1341 CA ALA A 92 13.502 0.815 4.535 1.00 0.34 C ATOM 1342 C ALA A 92 14.884 0.157 4.535 1.00 0.46 C ATOM 1343 O ALA A 92 15.533 0.066 5.576 1.00 0.55 O ATOM 1344 CB ALA A 92 12.567 0.088 3.580 1.00 0.32 C ATOM 0 H ALA A 92 12.919 2.521 3.462 1.00 0.32 H new ATOM 0 HA ALA A 92 13.103 0.744 5.547 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.516 -0.966 3.853 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.571 0.527 3.641 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.943 0.181 2.561 1.00 0.32 H new ATOM 1350 N GLY A 93 15.328 -0.301 3.366 1.00 0.53 N ATOM 1351 CA GLY A 93 16.630 -0.944 3.266 1.00 0.68 C ATOM 1352 C GLY A 93 16.719 -2.211 4.097 1.00 0.66 C ATOM 1353 O GLY A 93 17.809 -2.725 4.345 1.00 0.76 O ATOM 0 H GLY A 93 14.812 -0.239 2.488 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.834 -1.183 2.222 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.402 -0.246 3.590 1.00 0.68 H new ATOM 1357 N ASN A 94 15.567 -2.708 4.531 1.00 0.54 N ATOM 1358 CA ASN A 94 15.507 -3.917 5.343 1.00 0.54 C ATOM 1359 C ASN A 94 14.229 -4.705 5.040 1.00 0.43 C ATOM 1360 O ASN A 94 13.350 -4.210 4.332 1.00 0.39 O ATOM 1361 CB ASN A 94 15.539 -3.538 6.826 1.00 0.59 C ATOM 1362 CG ASN A 94 14.280 -2.811 7.249 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.227 -3.570 7.528 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.250 -1.582 7.315 1.00 2.52 N flip ATOM 0 H ASN A 94 14.658 -2.290 4.333 1.00 0.54 H new ATOM 0 HA ASN A 94 16.367 -4.543 5.105 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.658 -4.438 7.429 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.406 -2.907 7.021 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.084 -1.039 7.091 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.391 -1.107 7.593 1.00 2.52 H new ATOM 1371 N PRO A 95 14.113 -5.952 5.548 1.00 0.41 N ATOM 1372 CA PRO A 95 12.913 -6.770 5.346 1.00 0.35 C ATOM 1373 C PRO A 95 11.698 -6.151 6.030 1.00 0.32 C ATOM 1374 O PRO A 95 11.442 -6.401 7.208 1.00 0.45 O ATOM 1375 CB PRO A 95 13.266 -8.116 5.994 1.00 0.44 C ATOM 1376 CG PRO A 95 14.750 -8.110 6.127 1.00 0.64 C ATOM 1377 CD PRO A 95 15.138 -6.674 6.320 1.00 0.51 C ATOM 0 HA PRO A 95 12.650 -6.861 4.292 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.784 -8.223 6.966 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.930 -8.950 5.378 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.069 -8.718 6.973 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.224 -8.527 5.238 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.126 -6.390 7.372 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.142 -6.473 5.946 1.00 0.51 H new ATOM 1385 N VAL A 96 10.958 -5.340 5.283 1.00 0.28 N ATOM 1386 CA VAL A 96 9.779 -4.670 5.816 1.00 0.33 C ATOM 1387 C VAL A 96 8.496 -5.385 5.409 1.00 0.28 C ATOM 1388 O VAL A 96 8.446 -6.059 4.380 1.00 0.30 O ATOM 1389 CB VAL A 96 9.704 -3.207 5.337 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.922 -2.425 5.804 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.575 -3.146 3.821 1.00 0.38 C ATOM 0 H VAL A 96 11.155 -5.131 4.304 1.00 0.28 H new ATOM 0 HA VAL A 96 9.873 -4.693 6.902 1.00 0.33 H new ATOM 0 HB VAL A 96 8.817 -2.749 5.775 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.849 -1.395 5.455 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.966 -2.437 6.893 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.825 -2.882 5.399 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.523 -2.105 3.502 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.441 -3.624 3.363 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.668 -3.666 3.512 1.00 0.38 H new ATOM 1401 N ARG A 97 7.460 -5.232 6.227 1.00 0.24 N ATOM 1402 CA ARG A 97 6.169 -5.843 5.958 1.00 0.22 C ATOM 1403 C ARG A 97 5.204 -4.795 5.419 1.00 0.18 C ATOM 1404 O ARG A 97 5.165 -3.665 5.910 1.00 0.18 O ATOM 1405 CB ARG A 97 5.600 -6.476 7.229 1.00 0.27 C ATOM 1406 CG ARG A 97 4.305 -7.239 7.002 1.00 0.69 C ATOM 1407 CD ARG A 97 3.679 -7.674 8.317 1.00 0.71 C ATOM 1408 NE ARG A 97 3.364 -6.534 9.174 1.00 1.21 N ATOM 1409 CZ ARG A 97 2.848 -6.648 10.394 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.587 -7.847 10.899 1.00 0.88 N ATOM 1411 NH2 ARG A 97 2.588 -5.562 11.109 1.00 2.37 N ATOM 0 H ARG A 97 7.493 -4.685 7.087 1.00 0.24 H new ATOM 0 HA ARG A 97 6.301 -6.626 5.211 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.342 -7.154 7.651 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.426 -5.694 7.968 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.603 -6.611 6.453 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.501 -8.115 6.383 1.00 0.69 H new ATOM 0 HD2 ARG A 97 2.769 -8.240 8.116 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.362 -8.344 8.840 1.00 0.71 H new ATOM 0 HE ARG A 97 3.550 -5.597 8.816 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.782 -8.685 10.351 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.191 -7.931 11.835 1.00 0.88 H new ATOM 0 HH21 ARG A 97 2.784 -4.638 10.723 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.192 -5.650 12.045 1.00 2.37 H new ATOM 1425 N LEU A 98 4.433 -5.172 4.410 1.00 0.19 N ATOM 1426 CA LEU A 98 3.479 -4.258 3.803 1.00 0.18 C ATOM 1427 C LEU A 98 2.048 -4.630 4.175 1.00 0.18 C ATOM 1428 O LEU A 98 1.526 -5.648 3.720 1.00 0.30 O ATOM 1429 CB LEU A 98 3.634 -4.272 2.282 1.00 0.23 C ATOM 1430 CG LEU A 98 5.055 -4.034 1.767 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.116 -4.226 0.260 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.535 -2.640 2.144 1.00 0.37 C ATOM 0 H LEU A 98 4.450 -6.104 3.995 1.00 0.19 H new ATOM 0 HA LEU A 98 3.685 -3.257 4.182 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.286 -5.234 1.907 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.980 -3.509 1.860 1.00 0.23 H new ATOM 0 HG LEU A 98 5.715 -4.764 2.235 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.134 -4.053 -0.088 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.816 -5.244 0.010 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.442 -3.520 -0.224 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.547 -2.490 1.769 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.871 -1.895 1.705 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.531 -2.535 3.229 1.00 0.37 H new ATOM 1444 N LEU A 99 1.420 -3.804 5.009 1.00 0.18 N ATOM 1445 CA LEU A 99 0.045 -4.048 5.423 1.00 0.19 C ATOM 1446 C LEU A 99 -0.910 -3.180 4.612 1.00 0.19 C ATOM 1447 O LEU A 99 -1.071 -1.990 4.888 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.129 -3.770 6.918 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.475 -4.203 7.504 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.637 -5.713 7.408 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.600 -3.743 8.948 1.00 0.36 C ATOM 0 H LEU A 99 1.841 -2.965 5.408 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.188 -5.097 5.240 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.667 -4.278 7.462 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.001 -2.701 7.091 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.270 -3.735 6.924 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.600 -6.003 7.829 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.592 -6.018 6.363 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.836 -6.201 7.963 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.563 -4.059 9.349 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.798 -4.183 9.541 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.529 -2.656 8.991 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.538 -3.782 3.609 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.466 -3.062 2.747 1.00 0.23 C ATOM 1465 C LEU A 100 -3.786 -3.813 2.601 1.00 0.24 C ATOM 1466 O LEU A 100 -3.871 -5.006 2.887 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.833 -2.832 1.372 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.901 -3.946 0.882 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.685 -5.207 0.558 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.111 -3.485 -0.334 1.00 0.31 C ATOM 0 H LEU A 100 -1.421 -4.767 3.373 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.679 -2.099 3.210 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.631 -2.701 0.641 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.271 -1.898 1.401 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.201 -4.178 1.684 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.001 -5.982 0.213 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.204 -5.553 1.452 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.414 -4.992 -0.224 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.545 -4.289 -0.668 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.800 -3.222 -1.137 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.488 -2.614 -0.070 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.815 -3.098 2.161 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.132 -3.689 1.970 1.00 0.29 C ATOM 1484 C ILE A 101 -6.514 -3.699 0.493 1.00 0.32 C ATOM 1485 O ILE A 101 -6.316 -2.710 -0.220 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.210 -2.932 2.774 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.592 -3.550 2.534 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.208 -1.457 2.401 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.676 -2.969 3.418 1.00 0.45 C ATOM 0 H ILE A 101 -4.761 -2.106 1.930 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.081 -4.715 2.334 1.00 0.29 H new ATOM 0 HB ILE A 101 -6.978 -3.019 3.835 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.869 -3.405 1.490 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.534 -4.625 2.702 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -7.973 -0.935 2.976 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.231 -1.027 2.623 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.418 -1.351 1.337 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.627 -3.453 3.194 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.421 -3.137 4.464 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.761 -1.898 3.233 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.055 -4.824 0.039 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.466 -4.967 -1.352 1.00 0.46 C ATOM 1503 C ARG A 102 -8.945 -5.320 -1.439 1.00 0.60 C ATOM 1504 O ARG A 102 -9.428 -6.193 -0.719 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.626 -6.039 -2.049 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.017 -6.281 -3.501 1.00 1.27 C ATOM 1507 CD ARG A 102 -6.859 -5.023 -4.344 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.214 -5.257 -5.741 1.00 1.49 N ATOM 1509 CZ ARG A 102 -7.861 -4.374 -6.497 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -8.225 -3.204 -5.991 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.145 -4.663 -7.759 1.00 2.20 N ATOM 0 H ARG A 102 -7.219 -5.650 0.614 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.306 -4.014 -1.856 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.577 -5.747 -2.009 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.718 -6.975 -1.497 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.399 -7.077 -3.916 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.051 -6.623 -3.547 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -7.488 -4.232 -3.937 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -5.828 -4.673 -4.285 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.951 -6.148 -6.161 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.009 -2.979 -5.020 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -8.721 -2.529 -6.573 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -7.867 -5.563 -8.151 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -8.641 -3.986 -8.338 1.00 2.20 H new