USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -0.0214 (180deg=-0.245) USER MOD Single : A 13 THR OG1 : rot -120:sc= -3.81! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.608 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.13) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -161:sc= -0.142 (180deg=-0.61) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.356 K(o=-0.36,f=-3.3!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 213 THR OG1 : rot -76:sc= -2.63! USER MOD Single : B 214 LYS NZ :NH3+ 130:sc= -0.057 (180deg=-0.314) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ -174:sc=-0.00317 (180deg=-0.06) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 236 THR OG1 : rot -170:sc= -0.614 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -160:sc= -0.175 (180deg=-0.78) USER MOD Single : B 239 SER OG : rot 180:sc= -0.176 USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.7!) USER MOD Single : B 249 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 11 4.540 13.560 -10.224 1.00 13.22 N ATOM 146 CA LYS A 11 5.352 12.390 -9.883 1.00 45.24 C ATOM 147 C LYS A 11 5.875 12.514 -8.444 1.00 71.14 C ATOM 148 O LYS A 11 7.072 12.690 -8.205 1.00 32.02 O ATOM 149 CB LYS A 11 6.509 12.211 -10.883 1.00 33.02 C ATOM 150 CG LYS A 11 7.377 13.454 -11.067 1.00 63.40 C ATOM 151 CD LYS A 11 8.554 13.184 -12.001 1.00 71.14 C ATOM 152 CE LYS A 11 9.405 14.430 -12.223 1.00 35.23 C ATOM 153 NZ LYS A 11 8.618 15.546 -12.809 1.00 61.20 N ATOM 0 HA LYS A 11 4.726 11.500 -9.946 1.00 45.24 H new ATOM 0 HB2 LYS A 11 7.140 11.388 -10.548 1.00 33.02 H new ATOM 0 HB3 LYS A 11 6.097 11.923 -11.850 1.00 33.02 H new ATOM 0 HG2 LYS A 11 6.771 14.265 -11.470 1.00 63.40 H new ATOM 0 HG3 LYS A 11 7.749 13.785 -10.098 1.00 63.40 H new ATOM 0 HD2 LYS A 11 9.174 12.391 -11.583 1.00 71.14 H new ATOM 0 HD3 LYS A 11 8.181 12.824 -12.960 1.00 71.14 H new ATOM 0 HE2 LYS A 11 9.835 14.749 -11.273 1.00 35.23 H new ATOM 0 HE3 LYS A 11 10.237 14.187 -12.884 1.00 35.23 H new ATOM 0 HZ1 LYS A 11 9.265 16.287 -13.146 1.00 61.20 H new ATOM 0 HZ2 LYS A 11 8.053 15.191 -13.606 1.00 61.20 H new ATOM 0 HZ3 LYS A 11 7.985 15.942 -12.085 1.00 61.20 H new ATOM 167 N ASP A 12 4.947 12.454 -7.492 1.00 51.54 N ATOM 168 CA ASP A 12 5.261 12.605 -6.068 1.00 12.12 C ATOM 169 C ASP A 12 5.743 11.281 -5.457 1.00 24.25 C ATOM 170 O ASP A 12 6.526 11.260 -4.505 1.00 41.53 O ATOM 171 CB ASP A 12 4.014 13.095 -5.318 1.00 1.20 C ATOM 172 CG ASP A 12 2.898 12.060 -5.307 1.00 42.33 C ATOM 173 OD1 ASP A 12 2.462 11.627 -6.397 1.00 3.44 O ATOM 174 OD2 ASP A 12 2.459 11.658 -4.205 1.00 45.14 O ATOM 0 H ASP A 12 3.957 12.300 -7.682 1.00 51.54 H new ATOM 0 HA ASP A 12 6.065 13.334 -5.972 1.00 12.12 H new ATOM 0 HB2 ASP A 12 4.285 13.344 -4.292 1.00 1.20 H new ATOM 0 HB3 ASP A 12 3.651 14.012 -5.783 1.00 1.20 H new ATOM 179 N THR A 13 5.260 10.179 -6.014 1.00 74.11 N ATOM 180 CA THR A 13 5.536 8.842 -5.484 1.00 73.34 C ATOM 181 C THR A 13 5.603 7.799 -6.603 1.00 50.23 C ATOM 182 O THR A 13 5.132 8.033 -7.717 1.00 41.14 O ATOM 183 CB THR A 13 4.452 8.422 -4.463 1.00 45.41 C ATOM 184 OG1 THR A 13 3.155 8.754 -4.972 1.00 4.21 O ATOM 185 CG2 THR A 13 4.654 9.108 -3.120 1.00 2.44 C ATOM 0 H THR A 13 4.667 10.182 -6.844 1.00 74.11 H new ATOM 0 HA THR A 13 6.505 8.887 -4.988 1.00 73.34 H new ATOM 0 HB THR A 13 4.533 7.345 -4.313 1.00 45.41 H new ATOM 0 HG1 THR A 13 2.712 9.377 -4.358 1.00 4.21 H new ATOM 0 HG21 THR A 13 3.875 8.789 -2.428 1.00 2.44 H new ATOM 0 HG22 THR A 13 5.630 8.838 -2.717 1.00 2.44 H new ATOM 0 HG23 THR A 13 4.602 10.189 -3.252 1.00 2.44 H new ATOM 193 N LYS A 14 6.185 6.644 -6.296 1.00 61.22 N ATOM 194 CA LYS A 14 6.348 5.574 -7.285 1.00 11.34 C ATOM 195 C LYS A 14 5.131 4.634 -7.299 1.00 42.15 C ATOM 196 O LYS A 14 4.806 4.019 -6.279 1.00 60.44 O ATOM 197 CB LYS A 14 7.620 4.770 -6.986 1.00 43.24 C ATOM 198 CG LYS A 14 8.894 5.611 -6.954 1.00 10.04 C ATOM 199 CD LYS A 14 9.172 6.300 -8.292 1.00 72.31 C ATOM 200 CE LYS A 14 9.359 5.295 -9.423 1.00 44.43 C ATOM 201 NZ LYS A 14 9.646 5.964 -10.717 1.00 65.14 N ATOM 0 H LYS A 14 6.553 6.421 -5.371 1.00 61.22 H new ATOM 0 HA LYS A 14 6.432 6.037 -8.268 1.00 11.34 H new ATOM 0 HB2 LYS A 14 7.503 4.269 -6.025 1.00 43.24 H new ATOM 0 HB3 LYS A 14 7.730 3.991 -7.740 1.00 43.24 H new ATOM 0 HG2 LYS A 14 8.809 6.365 -6.171 1.00 10.04 H new ATOM 0 HG3 LYS A 14 9.740 4.975 -6.693 1.00 10.04 H new ATOM 0 HD2 LYS A 14 8.346 6.969 -8.534 1.00 72.31 H new ATOM 0 HD3 LYS A 14 10.066 6.917 -8.203 1.00 72.31 H new ATOM 0 HE2 LYS A 14 10.176 4.618 -9.175 1.00 44.43 H new ATOM 0 HE3 LYS A 14 8.460 4.687 -9.520 1.00 44.43 H new ATOM 0 HZ1 LYS A 14 9.766 5.246 -11.460 1.00 65.14 H new ATOM 0 HZ2 LYS A 14 8.855 6.591 -10.967 1.00 65.14 H new ATOM 0 HZ3 LYS A 14 10.518 6.524 -10.632 1.00 65.14 H new ATOM 215 N PRO A 15 4.438 4.514 -8.451 1.00 4.53 N ATOM 216 CA PRO A 15 3.284 3.608 -8.594 1.00 4.42 C ATOM 217 C PRO A 15 3.685 2.122 -8.541 1.00 14.42 C ATOM 218 O PRO A 15 4.317 1.603 -9.463 1.00 62.14 O ATOM 219 CB PRO A 15 2.703 3.966 -9.979 1.00 42.22 C ATOM 220 CG PRO A 15 3.342 5.266 -10.351 1.00 41.01 C ATOM 221 CD PRO A 15 4.696 5.257 -9.696 1.00 41.32 C ATOM 0 HA PRO A 15 2.573 3.734 -7.778 1.00 4.42 H new ATOM 0 HB2 PRO A 15 2.930 3.192 -10.713 1.00 42.22 H new ATOM 0 HB3 PRO A 15 1.618 4.059 -9.938 1.00 42.22 H new ATOM 0 HG2 PRO A 15 3.431 5.363 -11.433 1.00 41.01 H new ATOM 0 HG3 PRO A 15 2.745 6.109 -10.004 1.00 41.01 H new ATOM 0 HD2 PRO A 15 5.444 4.764 -10.316 1.00 41.32 H new ATOM 0 HD3 PRO A 15 5.059 6.266 -9.500 1.00 41.32 H new ATOM 229 N VAL A 16 3.334 1.455 -7.446 1.00 64.51 N ATOM 230 CA VAL A 16 3.583 0.018 -7.274 1.00 53.50 C ATOM 231 C VAL A 16 2.262 -0.774 -7.202 1.00 51.34 C ATOM 232 O VAL A 16 1.289 -0.335 -6.583 1.00 30.40 O ATOM 233 CB VAL A 16 4.424 -0.247 -5.995 1.00 54.12 C ATOM 234 CG1 VAL A 16 3.721 0.297 -4.750 1.00 55.50 C ATOM 235 CG2 VAL A 16 4.736 -1.737 -5.838 1.00 32.50 C ATOM 0 H VAL A 16 2.869 1.891 -6.650 1.00 64.51 H new ATOM 0 HA VAL A 16 4.144 -0.322 -8.145 1.00 53.50 H new ATOM 0 HB VAL A 16 5.370 0.284 -6.105 1.00 54.12 H new ATOM 0 HG11 VAL A 16 4.333 0.097 -3.870 1.00 55.50 H new ATOM 0 HG12 VAL A 16 3.576 1.372 -4.855 1.00 55.50 H new ATOM 0 HG13 VAL A 16 2.753 -0.190 -4.637 1.00 55.50 H new ATOM 0 HG21 VAL A 16 5.326 -1.892 -4.934 1.00 32.50 H new ATOM 0 HG22 VAL A 16 3.804 -2.298 -5.764 1.00 32.50 H new ATOM 0 HG23 VAL A 16 5.301 -2.084 -6.704 1.00 32.50 H new ATOM 245 N VAL A 17 2.225 -1.941 -7.844 1.00 63.23 N ATOM 246 CA VAL A 17 1.014 -2.771 -7.858 1.00 23.23 C ATOM 247 C VAL A 17 0.942 -3.696 -6.630 1.00 54.30 C ATOM 248 O VAL A 17 1.783 -4.581 -6.451 1.00 14.42 O ATOM 249 CB VAL A 17 0.931 -3.624 -9.149 1.00 61.54 C ATOM 250 CG1 VAL A 17 -0.317 -4.505 -9.151 1.00 71.40 C ATOM 251 CG2 VAL A 17 0.961 -2.728 -10.387 1.00 0.43 C ATOM 0 H VAL A 17 3.013 -2.334 -8.359 1.00 63.23 H new ATOM 0 HA VAL A 17 0.167 -2.086 -7.828 1.00 23.23 H new ATOM 0 HB VAL A 17 1.802 -4.279 -9.175 1.00 61.54 H new ATOM 0 HG11 VAL A 17 -0.347 -5.091 -10.069 1.00 71.40 H new ATOM 0 HG12 VAL A 17 -0.290 -5.176 -8.293 1.00 71.40 H new ATOM 0 HG13 VAL A 17 -1.206 -3.877 -9.092 1.00 71.40 H new ATOM 0 HG21 VAL A 17 0.902 -3.345 -11.284 1.00 0.43 H new ATOM 0 HG22 VAL A 17 0.114 -2.043 -10.361 1.00 0.43 H new ATOM 0 HG23 VAL A 17 1.889 -2.157 -10.400 1.00 0.43 H new ATOM 261 N VAL A 18 -0.066 -3.480 -5.786 1.00 31.44 N ATOM 262 CA VAL A 18 -0.302 -4.319 -4.605 1.00 34.12 C ATOM 263 C VAL A 18 -1.597 -5.136 -4.759 1.00 14.11 C ATOM 264 O VAL A 18 -2.623 -4.609 -5.182 1.00 44.03 O ATOM 265 CB VAL A 18 -0.397 -3.462 -3.318 1.00 53.44 C ATOM 266 CG1 VAL A 18 -0.592 -4.345 -2.083 1.00 44.43 C ATOM 267 CG2 VAL A 18 0.839 -2.573 -3.166 1.00 64.22 C ATOM 0 H VAL A 18 -0.741 -2.723 -5.898 1.00 31.44 H new ATOM 0 HA VAL A 18 0.546 -4.998 -4.520 1.00 34.12 H new ATOM 0 HB VAL A 18 -1.270 -2.816 -3.407 1.00 53.44 H new ATOM 0 HG11 VAL A 18 -0.655 -3.718 -1.194 1.00 44.43 H new ATOM 0 HG12 VAL A 18 -1.512 -4.920 -2.188 1.00 44.43 H new ATOM 0 HG13 VAL A 18 0.253 -5.027 -1.986 1.00 44.43 H new ATOM 0 HG21 VAL A 18 0.751 -1.980 -2.256 1.00 64.22 H new ATOM 0 HG22 VAL A 18 1.731 -3.197 -3.108 1.00 64.22 H new ATOM 0 HG23 VAL A 18 0.917 -1.908 -4.026 1.00 64.22 H new ATOM 277 N ARG A 19 -1.548 -6.420 -4.420 1.00 34.41 N ATOM 278 CA ARG A 19 -2.730 -7.291 -4.520 1.00 32.11 C ATOM 279 C ARG A 19 -3.528 -7.305 -3.200 1.00 42.25 C ATOM 280 O ARG A 19 -3.008 -7.705 -2.155 1.00 40.02 O ATOM 281 CB ARG A 19 -2.307 -8.721 -4.893 1.00 22.13 C ATOM 282 CG ARG A 19 -1.508 -8.824 -6.197 1.00 31.42 C ATOM 283 CD ARG A 19 -1.224 -10.276 -6.582 1.00 64.23 C ATOM 284 NE ARG A 19 -2.441 -10.985 -6.982 1.00 2.41 N ATOM 285 CZ ARG A 19 -2.753 -12.196 -6.601 1.00 11.43 C ATOM 286 NH1 ARG A 19 -1.995 -12.848 -5.780 1.00 13.33 N ATOM 287 NH2 ARG A 19 -3.832 -12.754 -7.037 1.00 44.45 N ATOM 0 H ARG A 19 -0.709 -6.886 -4.074 1.00 34.41 H new ATOM 0 HA ARG A 19 -3.375 -6.892 -5.303 1.00 32.11 H new ATOM 0 HB2 ARG A 19 -1.709 -9.134 -4.081 1.00 22.13 H new ATOM 0 HB3 ARG A 19 -3.200 -9.341 -4.978 1.00 22.13 H new ATOM 0 HG2 ARG A 19 -2.061 -8.338 -7.000 1.00 31.42 H new ATOM 0 HG3 ARG A 19 -0.566 -8.287 -6.088 1.00 31.42 H new ATOM 0 HD2 ARG A 19 -0.505 -10.300 -7.401 1.00 64.23 H new ATOM 0 HD3 ARG A 19 -0.765 -10.792 -5.739 1.00 64.23 H new ATOM 0 HE ARG A 19 -3.091 -10.500 -7.601 1.00 2.41 H new ATOM 0 HH11 ARG A 19 -1.142 -12.418 -5.422 1.00 13.33 H new ATOM 0 HH12 ARG A 19 -2.250 -13.792 -5.491 1.00 13.33 H new ATOM 0 HH21 ARG A 19 -4.443 -12.250 -7.680 1.00 44.45 H new ATOM 0 HH22 ARG A 19 -4.074 -13.699 -6.739 1.00 44.45 H new ATOM 301 N LEU A 20 -4.793 -6.876 -3.253 1.00 5.42 N ATOM 302 CA LEU A 20 -5.651 -6.825 -2.055 1.00 51.51 C ATOM 303 C LEU A 20 -6.979 -7.580 -2.283 1.00 43.32 C ATOM 304 O LEU A 20 -7.449 -7.700 -3.414 1.00 43.33 O ATOM 305 CB LEU A 20 -5.924 -5.362 -1.669 1.00 33.50 C ATOM 306 CG LEU A 20 -6.703 -5.154 -0.355 1.00 20.20 C ATOM 307 CD1 LEU A 20 -5.945 -5.754 0.830 1.00 72.42 C ATOM 308 CD2 LEU A 20 -6.988 -3.669 -0.124 1.00 4.42 C ATOM 0 H LEU A 20 -5.249 -6.559 -4.109 1.00 5.42 H new ATOM 0 HA LEU A 20 -5.126 -7.319 -1.237 1.00 51.51 H new ATOM 0 HB2 LEU A 20 -4.970 -4.841 -1.591 1.00 33.50 H new ATOM 0 HB3 LEU A 20 -6.480 -4.889 -2.479 1.00 33.50 H new ATOM 0 HG LEU A 20 -7.657 -5.674 -0.441 1.00 20.20 H new ATOM 0 HD11 LEU A 20 -6.515 -5.594 1.745 1.00 72.42 H new ATOM 0 HD12 LEU A 20 -5.808 -6.823 0.670 1.00 72.42 H new ATOM 0 HD13 LEU A 20 -4.971 -5.273 0.920 1.00 72.42 H new ATOM 0 HD21 LEU A 20 -7.538 -3.545 0.809 1.00 4.42 H new ATOM 0 HD22 LEU A 20 -6.047 -3.123 -0.065 1.00 4.42 H new ATOM 0 HD23 LEU A 20 -7.582 -3.280 -0.951 1.00 4.42 H new ATOM 320 N TYR A 21 -7.575 -8.091 -1.202 1.00 11.24 N ATOM 321 CA TYR A 21 -8.791 -8.921 -1.292 1.00 32.50 C ATOM 322 C TYR A 21 -10.037 -8.085 -1.660 1.00 70.43 C ATOM 323 O TYR A 21 -10.345 -7.088 -1.001 1.00 64.23 O ATOM 324 CB TYR A 21 -9.013 -9.668 0.032 1.00 45.01 C ATOM 325 CG TYR A 21 -7.840 -10.554 0.430 1.00 5.34 C ATOM 326 CD1 TYR A 21 -6.752 -10.028 1.124 1.00 73.41 C ATOM 327 CD2 TYR A 21 -7.810 -11.906 0.095 1.00 23.43 C ATOM 328 CE1 TYR A 21 -5.672 -10.821 1.474 1.00 40.43 C ATOM 329 CE2 TYR A 21 -6.733 -12.706 0.447 1.00 0.02 C ATOM 330 CZ TYR A 21 -5.667 -12.158 1.134 1.00 52.32 C ATOM 331 OH TYR A 21 -4.582 -12.947 1.470 1.00 33.33 O ATOM 0 H TYR A 21 -7.238 -7.947 -0.250 1.00 11.24 H new ATOM 0 HA TYR A 21 -8.643 -9.644 -2.094 1.00 32.50 H new ATOM 0 HB2 TYR A 21 -9.196 -8.942 0.824 1.00 45.01 H new ATOM 0 HB3 TYR A 21 -9.910 -10.281 -0.051 1.00 45.01 H new ATOM 0 HD1 TYR A 21 -6.751 -8.982 1.394 1.00 73.41 H new ATOM 0 HD2 TYR A 21 -8.638 -12.338 -0.447 1.00 23.43 H new ATOM 0 HE1 TYR A 21 -4.837 -10.395 2.011 1.00 40.43 H new ATOM 0 HE2 TYR A 21 -6.728 -13.754 0.185 1.00 0.02 H new ATOM 0 HH TYR A 21 -4.736 -13.864 1.160 1.00 33.33 H new ATOM 341 N PRO A 22 -10.788 -8.508 -2.704 1.00 61.11 N ATOM 342 CA PRO A 22 -11.924 -7.734 -3.257 1.00 23.24 C ATOM 343 C PRO A 22 -12.998 -7.370 -2.215 1.00 2.24 C ATOM 344 O PRO A 22 -13.483 -6.236 -2.182 1.00 44.22 O ATOM 345 CB PRO A 22 -12.509 -8.664 -4.337 1.00 75.32 C ATOM 346 CG PRO A 22 -11.954 -10.019 -4.035 1.00 1.12 C ATOM 347 CD PRO A 22 -10.600 -9.779 -3.428 1.00 44.02 C ATOM 0 HA PRO A 22 -11.587 -6.769 -3.635 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -13.598 -8.669 -4.303 1.00 75.32 H new ATOM 0 HB3 PRO A 22 -12.222 -8.335 -5.336 1.00 75.32 H new ATOM 0 HG2 PRO A 22 -12.601 -10.562 -3.346 1.00 1.12 H new ATOM 0 HG3 PRO A 22 -11.876 -10.621 -4.941 1.00 1.12 H new ATOM 0 HD2 PRO A 22 -10.308 -10.587 -2.757 1.00 44.02 H new ATOM 0 HD3 PRO A 22 -9.824 -9.700 -4.189 1.00 44.02 H new ATOM 355 N ASP A 23 -13.368 -8.334 -1.376 1.00 70.53 N ATOM 356 CA ASP A 23 -14.362 -8.108 -0.318 1.00 24.21 C ATOM 357 C ASP A 23 -13.996 -6.889 0.545 1.00 0.01 C ATOM 358 O ASP A 23 -14.826 -6.018 0.817 1.00 43.43 O ATOM 359 CB ASP A 23 -14.451 -9.344 0.576 1.00 64.44 C ATOM 360 CG ASP A 23 -14.746 -10.604 -0.212 1.00 21.14 C ATOM 361 OD1 ASP A 23 -13.835 -11.101 -0.903 1.00 30.41 O ATOM 362 OD2 ASP A 23 -15.885 -11.107 -0.130 1.00 20.42 O ATOM 0 H ASP A 23 -12.996 -9.283 -1.405 1.00 70.53 H new ATOM 0 HA ASP A 23 -15.323 -7.917 -0.796 1.00 24.21 H new ATOM 0 HB2 ASP A 23 -13.512 -9.467 1.116 1.00 64.44 H new ATOM 0 HB3 ASP A 23 -15.231 -9.194 1.323 1.00 64.44 H new ATOM 367 N GLU A 24 -12.738 -6.841 0.962 1.00 44.40 N ATOM 368 CA GLU A 24 -12.239 -5.774 1.830 1.00 62.02 C ATOM 369 C GLU A 24 -12.016 -4.468 1.048 1.00 71.21 C ATOM 370 O GLU A 24 -12.049 -3.376 1.622 1.00 63.22 O ATOM 371 CB GLU A 24 -10.955 -6.247 2.524 1.00 1.05 C ATOM 372 CG GLU A 24 -11.181 -7.503 3.366 1.00 12.52 C ATOM 373 CD GLU A 24 -9.899 -8.114 3.911 1.00 35.02 C ATOM 374 OE1 GLU A 24 -9.245 -8.879 3.173 1.00 22.24 O ATOM 375 OE2 GLU A 24 -9.564 -7.859 5.087 1.00 15.53 O ATOM 0 H GLU A 24 -12.034 -7.536 0.711 1.00 44.40 H new ATOM 0 HA GLU A 24 -12.989 -5.553 2.590 1.00 62.02 H new ATOM 0 HB2 GLU A 24 -10.191 -6.448 1.773 1.00 1.05 H new ATOM 0 HB3 GLU A 24 -10.573 -5.449 3.161 1.00 1.05 H new ATOM 0 HG2 GLU A 24 -11.839 -7.257 4.200 1.00 12.52 H new ATOM 0 HG3 GLU A 24 -11.699 -8.247 2.761 1.00 12.52 H new ATOM 382 N ILE A 25 -11.809 -4.580 -0.266 1.00 75.41 N ATOM 383 CA ILE A 25 -11.751 -3.402 -1.143 1.00 31.43 C ATOM 384 C ILE A 25 -13.118 -2.692 -1.186 1.00 25.01 C ATOM 385 O ILE A 25 -13.200 -1.465 -1.073 1.00 51.45 O ATOM 386 CB ILE A 25 -11.321 -3.779 -2.585 1.00 43.12 C ATOM 387 CG1 ILE A 25 -9.905 -4.382 -2.584 1.00 50.43 C ATOM 388 CG2 ILE A 25 -11.383 -2.559 -3.509 1.00 73.13 C ATOM 389 CD1 ILE A 25 -9.414 -4.807 -3.954 1.00 33.01 C ATOM 0 H ILE A 25 -11.679 -5.470 -0.747 1.00 75.41 H new ATOM 0 HA ILE A 25 -11.002 -2.728 -0.727 1.00 31.43 H new ATOM 0 HB ILE A 25 -12.017 -4.528 -2.963 1.00 43.12 H new ATOM 0 HG12 ILE A 25 -9.210 -3.651 -2.171 1.00 50.43 H new ATOM 0 HG13 ILE A 25 -9.890 -5.246 -1.920 1.00 50.43 H new ATOM 0 HG21 ILE A 25 -11.077 -2.848 -4.514 1.00 73.13 H new ATOM 0 HG22 ILE A 25 -12.403 -2.175 -3.536 1.00 73.13 H new ATOM 0 HG23 ILE A 25 -10.713 -1.785 -3.135 1.00 73.13 H new ATOM 0 HD11 ILE A 25 -8.409 -5.221 -3.868 1.00 33.01 H new ATOM 0 HD12 ILE A 25 -10.085 -5.563 -4.362 1.00 33.01 H new ATOM 0 HD13 ILE A 25 -9.394 -3.943 -4.618 1.00 33.01 H new ATOM 401 N GLU A 26 -14.195 -3.469 -1.334 1.00 4.42 N ATOM 402 CA GLU A 26 -15.551 -2.903 -1.300 1.00 24.22 C ATOM 403 C GLU A 26 -15.874 -2.336 0.090 1.00 75.41 C ATOM 404 O GLU A 26 -16.527 -1.293 0.216 1.00 50.11 O ATOM 405 CB GLU A 26 -16.605 -3.945 -1.710 1.00 33.23 C ATOM 406 CG GLU A 26 -18.035 -3.408 -1.642 1.00 40.23 C ATOM 407 CD GLU A 26 -19.060 -4.300 -2.329 1.00 32.11 C ATOM 408 OE1 GLU A 26 -19.508 -5.292 -1.718 1.00 73.12 O ATOM 409 OE2 GLU A 26 -19.440 -3.990 -3.479 1.00 72.45 O ATOM 0 H GLU A 26 -14.159 -4.478 -1.477 1.00 4.42 H new ATOM 0 HA GLU A 26 -15.583 -2.088 -2.023 1.00 24.22 H new ATOM 0 HB2 GLU A 26 -16.398 -4.283 -2.725 1.00 33.23 H new ATOM 0 HB3 GLU A 26 -16.519 -4.816 -1.060 1.00 33.23 H new ATOM 0 HG2 GLU A 26 -18.317 -3.285 -0.596 1.00 40.23 H new ATOM 0 HG3 GLU A 26 -18.064 -2.419 -2.099 1.00 40.23 H new ATOM 416 N ALA A 27 -15.409 -3.023 1.128 1.00 64.02 N ATOM 417 CA ALA A 27 -15.520 -2.517 2.500 1.00 24.44 C ATOM 418 C ALA A 27 -14.782 -1.177 2.649 1.00 21.32 C ATOM 419 O ALA A 27 -15.257 -0.262 3.327 1.00 22.02 O ATOM 420 CB ALA A 27 -14.972 -3.543 3.488 1.00 5.25 C ATOM 0 H ALA A 27 -14.951 -3.931 1.050 1.00 64.02 H new ATOM 0 HA ALA A 27 -16.574 -2.349 2.720 1.00 24.44 H new ATOM 0 HB1 ALA A 27 -15.061 -3.155 4.503 1.00 5.25 H new ATOM 0 HB2 ALA A 27 -15.540 -4.469 3.403 1.00 5.25 H new ATOM 0 HB3 ALA A 27 -13.923 -3.739 3.265 1.00 5.25 H new ATOM 426 N LEU A 28 -13.623 -1.067 1.998 1.00 72.42 N ATOM 427 CA LEU A 28 -12.831 0.166 2.004 1.00 1.54 C ATOM 428 C LEU A 28 -13.631 1.355 1.444 1.00 50.54 C ATOM 429 O LEU A 28 -13.841 2.354 2.133 1.00 3.22 O ATOM 430 CB LEU A 28 -11.543 -0.031 1.189 1.00 5.11 C ATOM 431 CG LEU A 28 -10.605 1.185 1.129 1.00 52.33 C ATOM 432 CD1 LEU A 28 -10.059 1.518 2.516 1.00 53.31 C ATOM 433 CD2 LEU A 28 -9.468 0.936 0.139 1.00 21.55 C ATOM 0 H LEU A 28 -13.208 -1.824 1.455 1.00 72.42 H new ATOM 0 HA LEU A 28 -12.575 0.393 3.039 1.00 1.54 H new ATOM 0 HB2 LEU A 28 -10.992 -0.872 1.610 1.00 5.11 H new ATOM 0 HB3 LEU A 28 -11.817 -0.307 0.171 1.00 5.11 H new ATOM 0 HG LEU A 28 -11.178 2.044 0.780 1.00 52.33 H new ATOM 0 HD11 LEU A 28 -9.398 2.382 2.449 1.00 53.31 H new ATOM 0 HD12 LEU A 28 -10.887 1.746 3.188 1.00 53.31 H new ATOM 0 HD13 LEU A 28 -9.503 0.664 2.903 1.00 53.31 H new ATOM 0 HD21 LEU A 28 -8.814 1.807 0.110 1.00 21.55 H new ATOM 0 HD22 LEU A 28 -8.896 0.063 0.454 1.00 21.55 H new ATOM 0 HD23 LEU A 28 -9.882 0.759 -0.854 1.00 21.55 H new ATOM 445 N LYS A 29 -14.107 1.233 0.202 1.00 63.24 N ATOM 446 CA LYS A 29 -14.853 2.324 -0.451 1.00 32.22 C ATOM 447 C LYS A 29 -16.209 2.589 0.236 1.00 53.13 C ATOM 448 O LYS A 29 -16.917 3.535 -0.109 1.00 25.25 O ATOM 449 CB LYS A 29 -15.062 2.016 -1.942 1.00 51.33 C ATOM 450 CG LYS A 29 -15.983 0.828 -2.222 1.00 2.05 C ATOM 451 CD LYS A 29 -16.078 0.529 -3.717 1.00 31.02 C ATOM 452 CE LYS A 29 -17.071 -0.593 -4.012 1.00 33.54 C ATOM 453 NZ LYS A 29 -18.470 -0.205 -3.685 1.00 13.41 N ATOM 0 H LYS A 29 -13.993 0.398 -0.372 1.00 63.24 H new ATOM 0 HA LYS A 29 -14.254 3.229 -0.354 1.00 32.22 H new ATOM 0 HB2 LYS A 29 -15.473 2.901 -2.428 1.00 51.33 H new ATOM 0 HB3 LYS A 29 -14.092 1.823 -2.399 1.00 51.33 H new ATOM 0 HG2 LYS A 29 -15.612 -0.052 -1.697 1.00 2.05 H new ATOM 0 HG3 LYS A 29 -16.978 1.038 -1.829 1.00 2.05 H new ATOM 0 HD2 LYS A 29 -16.381 1.431 -4.249 1.00 31.02 H new ATOM 0 HD3 LYS A 29 -15.094 0.251 -4.095 1.00 31.02 H new ATOM 0 HE2 LYS A 29 -17.008 -0.864 -5.066 1.00 33.54 H new ATOM 0 HE3 LYS A 29 -16.798 -1.478 -3.438 1.00 33.54 H new ATOM 0 HZ1 LYS A 29 -19.125 -0.923 -4.055 1.00 13.41 H new ATOM 0 HZ2 LYS A 29 -18.579 -0.136 -2.653 1.00 13.41 H new ATOM 0 HZ3 LYS A 29 -18.685 0.716 -4.118 1.00 13.41 H new ATOM 467 N SER A 30 -16.562 1.743 1.204 1.00 43.42 N ATOM 468 CA SER A 30 -17.801 1.912 1.979 1.00 63.24 C ATOM 469 C SER A 30 -17.566 2.753 3.244 1.00 45.31 C ATOM 470 O SER A 30 -18.499 3.329 3.803 1.00 43.23 O ATOM 471 CB SER A 30 -18.366 0.542 2.379 1.00 2.23 C ATOM 472 OG SER A 30 -19.622 0.658 3.033 1.00 52.34 O ATOM 0 H SER A 30 -16.008 0.930 1.474 1.00 43.42 H new ATOM 0 HA SER A 30 -18.515 2.436 1.345 1.00 63.24 H new ATOM 0 HB2 SER A 30 -18.475 -0.079 1.490 1.00 2.23 H new ATOM 0 HB3 SER A 30 -17.659 0.036 3.037 1.00 2.23 H new ATOM 0 HG SER A 30 -19.951 -0.234 3.271 1.00 52.34 H new ATOM 478 N ARG A 31 -16.313 2.816 3.697 1.00 71.34 N ATOM 479 CA ARG A 31 -15.963 3.539 4.934 1.00 34.14 C ATOM 480 C ARG A 31 -15.208 4.849 4.647 1.00 31.43 C ATOM 481 O ARG A 31 -15.018 5.672 5.542 1.00 41.21 O ATOM 482 CB ARG A 31 -15.118 2.633 5.847 1.00 14.54 C ATOM 483 CG ARG A 31 -13.857 2.094 5.180 1.00 40.33 C ATOM 484 CD ARG A 31 -13.121 1.090 6.058 1.00 54.20 C ATOM 485 NE ARG A 31 -12.521 1.715 7.237 1.00 35.55 N ATOM 486 CZ ARG A 31 -12.083 1.050 8.273 1.00 54.13 C ATOM 487 NH1 ARG A 31 -12.230 -0.233 8.347 1.00 44.42 N ATOM 488 NH2 ARG A 31 -11.512 1.672 9.247 1.00 62.12 N ATOM 0 H ARG A 31 -15.519 2.377 3.230 1.00 71.34 H new ATOM 0 HA ARG A 31 -16.894 3.803 5.435 1.00 34.14 H new ATOM 0 HB2 ARG A 31 -14.836 3.193 6.739 1.00 14.54 H new ATOM 0 HB3 ARG A 31 -15.730 1.794 6.178 1.00 14.54 H new ATOM 0 HG2 ARG A 31 -14.123 1.620 4.235 1.00 40.33 H new ATOM 0 HG3 ARG A 31 -13.191 2.924 4.944 1.00 40.33 H new ATOM 0 HD2 ARG A 31 -13.815 0.312 6.376 1.00 54.20 H new ATOM 0 HD3 ARG A 31 -12.342 0.602 5.473 1.00 54.20 H new ATOM 0 HE ARG A 31 -12.440 2.732 7.251 1.00 35.55 H new ATOM 0 HH11 ARG A 31 -12.693 -0.738 7.591 1.00 44.42 H new ATOM 0 HH12 ARG A 31 -11.883 -0.740 9.161 1.00 44.42 H new ATOM 0 HH21 ARG A 31 -11.401 2.685 9.210 1.00 62.12 H new ATOM 0 HH22 ARG A 31 -11.171 1.151 10.055 1.00 62.12 H new ATOM 502 N VAL A 32 -14.772 5.034 3.403 1.00 63.24 N ATOM 503 CA VAL A 32 -14.028 6.241 3.012 1.00 63.12 C ATOM 504 C VAL A 32 -14.942 7.270 2.321 1.00 71.42 C ATOM 505 O VAL A 32 -16.006 6.919 1.805 1.00 71.43 O ATOM 506 CB VAL A 32 -12.848 5.886 2.067 1.00 74.12 C ATOM 507 CG1 VAL A 32 -11.958 4.819 2.698 1.00 52.04 C ATOM 508 CG2 VAL A 32 -13.353 5.438 0.696 1.00 44.15 C ATOM 0 H VAL A 32 -14.918 4.367 2.645 1.00 63.24 H new ATOM 0 HA VAL A 32 -13.635 6.682 3.928 1.00 63.12 H new ATOM 0 HB VAL A 32 -12.251 6.786 1.920 1.00 74.12 H new ATOM 0 HG11 VAL A 32 -11.137 4.583 2.021 1.00 52.04 H new ATOM 0 HG12 VAL A 32 -11.556 5.191 3.640 1.00 52.04 H new ATOM 0 HG13 VAL A 32 -12.545 3.919 2.884 1.00 52.04 H new ATOM 0 HG21 VAL A 32 -12.504 5.196 0.057 1.00 44.15 H new ATOM 0 HG22 VAL A 32 -13.983 4.556 0.811 1.00 44.15 H new ATOM 0 HG23 VAL A 32 -13.932 6.242 0.241 1.00 44.15 H new ATOM 518 N PRO A 33 -14.562 8.565 2.323 1.00 52.05 N ATOM 519 CA PRO A 33 -15.299 9.595 1.579 1.00 31.44 C ATOM 520 C PRO A 33 -15.014 9.528 0.066 1.00 10.34 C ATOM 521 O PRO A 33 -13.862 9.411 -0.355 1.00 13.53 O ATOM 522 CB PRO A 33 -14.775 10.902 2.186 1.00 51.41 C ATOM 523 CG PRO A 33 -13.387 10.580 2.633 1.00 53.13 C ATOM 524 CD PRO A 33 -13.410 9.132 3.060 1.00 13.50 C ATOM 0 HA PRO A 33 -16.380 9.482 1.662 1.00 31.44 H new ATOM 0 HB2 PRO A 33 -14.778 11.709 1.453 1.00 51.41 H new ATOM 0 HB3 PRO A 33 -15.395 11.228 3.021 1.00 51.41 H new ATOM 0 HG2 PRO A 33 -12.671 10.737 1.826 1.00 53.13 H new ATOM 0 HG3 PRO A 33 -13.084 11.225 3.458 1.00 53.13 H new ATOM 0 HD2 PRO A 33 -12.481 8.624 2.802 1.00 13.50 H new ATOM 0 HD3 PRO A 33 -13.538 9.035 4.138 1.00 13.50 H new ATOM 532 N ALA A 34 -16.064 9.638 -0.748 1.00 53.51 N ATOM 533 CA ALA A 34 -15.950 9.509 -2.212 1.00 12.53 C ATOM 534 C ALA A 34 -15.043 10.587 -2.841 1.00 34.30 C ATOM 535 O ALA A 34 -14.785 10.565 -4.046 1.00 54.45 O ATOM 536 CB ALA A 34 -17.340 9.555 -2.842 1.00 25.42 C ATOM 0 H ALA A 34 -17.013 9.818 -0.421 1.00 53.51 H new ATOM 0 HA ALA A 34 -15.479 8.547 -2.416 1.00 12.53 H new ATOM 0 HB1 ALA A 34 -17.252 9.459 -3.924 1.00 25.42 H new ATOM 0 HB2 ALA A 34 -17.943 8.735 -2.453 1.00 25.42 H new ATOM 0 HB3 ALA A 34 -17.818 10.504 -2.599 1.00 25.42 H new ATOM 542 N ASN A 35 -14.561 11.515 -2.021 1.00 32.44 N ATOM 543 CA ASN A 35 -13.716 12.622 -2.486 1.00 54.43 C ATOM 544 C ASN A 35 -12.299 12.155 -2.873 1.00 40.23 C ATOM 545 O ASN A 35 -11.677 12.718 -3.777 1.00 33.10 O ATOM 546 CB ASN A 35 -13.612 13.685 -1.387 1.00 41.40 C ATOM 547 CG ASN A 35 -14.966 14.180 -0.917 1.00 31.24 C ATOM 548 OD1 ASN A 35 -15.925 14.229 -1.678 1.00 31.23 O ATOM 549 ND2 ASN A 35 -15.056 14.550 0.340 1.00 61.23 N ATOM 0 H ASN A 35 -14.741 11.526 -1.017 1.00 32.44 H new ATOM 0 HA ASN A 35 -14.185 13.036 -3.378 1.00 54.43 H new ATOM 0 HB2 ASN A 35 -13.067 13.271 -0.538 1.00 41.40 H new ATOM 0 HB3 ASN A 35 -13.031 14.529 -1.758 1.00 41.40 H new ATOM 0 HD21 ASN A 35 -15.944 14.891 0.709 1.00 61.23 H new ATOM 0 HD22 ASN A 35 -14.238 14.497 0.947 1.00 61.23 H new ATOM 556 N THR A 36 -11.799 11.126 -2.191 1.00 41.23 N ATOM 557 CA THR A 36 -10.400 10.692 -2.354 1.00 4.15 C ATOM 558 C THR A 36 -10.293 9.287 -2.973 1.00 63.03 C ATOM 559 O THR A 36 -10.958 8.351 -2.533 1.00 73.33 O ATOM 560 CB THR A 36 -9.655 10.715 -0.993 1.00 1.31 C ATOM 561 OG1 THR A 36 -9.658 12.048 -0.451 1.00 71.23 O ATOM 562 CG2 THR A 36 -8.213 10.231 -1.131 1.00 3.45 C ATOM 0 H THR A 36 -12.335 10.574 -1.521 1.00 41.23 H new ATOM 0 HA THR A 36 -9.932 11.399 -3.039 1.00 4.15 H new ATOM 0 HB THR A 36 -10.181 10.038 -0.320 1.00 1.31 H new ATOM 0 HG1 THR A 36 -9.187 12.053 0.409 1.00 71.23 H new ATOM 0 HG21 THR A 36 -7.724 10.262 -0.157 1.00 3.45 H new ATOM 0 HG22 THR A 36 -8.207 9.208 -1.508 1.00 3.45 H new ATOM 0 HG23 THR A 36 -7.677 10.877 -1.826 1.00 3.45 H new ATOM 570 N SER A 37 -9.446 9.153 -3.997 1.00 0.55 N ATOM 571 CA SER A 37 -9.235 7.865 -4.681 1.00 64.42 C ATOM 572 C SER A 37 -8.364 6.910 -3.847 1.00 72.22 C ATOM 573 O SER A 37 -7.569 7.342 -3.008 1.00 34.03 O ATOM 574 CB SER A 37 -8.581 8.085 -6.056 1.00 23.24 C ATOM 575 OG SER A 37 -9.417 8.851 -6.909 1.00 12.53 O ATOM 0 H SER A 37 -8.891 9.921 -4.375 1.00 0.55 H new ATOM 0 HA SER A 37 -10.215 7.407 -4.811 1.00 64.42 H new ATOM 0 HB2 SER A 37 -7.625 8.593 -5.929 1.00 23.24 H new ATOM 0 HB3 SER A 37 -8.371 7.121 -6.519 1.00 23.24 H new ATOM 0 HG SER A 37 -8.975 8.976 -7.774 1.00 12.53 H new ATOM 581 N MET A 38 -8.501 5.606 -4.101 1.00 35.35 N ATOM 582 CA MET A 38 -7.762 4.574 -3.347 1.00 33.11 C ATOM 583 C MET A 38 -6.238 4.810 -3.371 1.00 74.23 C ATOM 584 O MET A 38 -5.570 4.706 -2.340 1.00 24.23 O ATOM 585 CB MET A 38 -8.080 3.181 -3.909 1.00 65.44 C ATOM 586 CG MET A 38 -9.561 2.828 -3.867 1.00 22.34 C ATOM 587 SD MET A 38 -9.906 1.179 -4.515 1.00 1.25 S ATOM 588 CE MET A 38 -9.310 1.327 -6.200 1.00 44.51 C ATOM 0 H MET A 38 -9.117 5.233 -4.824 1.00 35.35 H new ATOM 0 HA MET A 38 -8.088 4.638 -2.309 1.00 33.11 H new ATOM 0 HB2 MET A 38 -7.732 3.127 -4.940 1.00 65.44 H new ATOM 0 HB3 MET A 38 -7.521 2.435 -3.344 1.00 65.44 H new ATOM 0 HG2 MET A 38 -9.916 2.891 -2.838 1.00 22.34 H new ATOM 0 HG3 MET A 38 -10.122 3.564 -4.443 1.00 22.34 H new ATOM 0 HE1 MET A 38 -9.747 0.537 -6.811 1.00 44.51 H new ATOM 0 HE2 MET A 38 -9.596 2.298 -6.603 1.00 44.51 H new ATOM 0 HE3 MET A 38 -8.224 1.235 -6.211 1.00 44.51 H new ATOM 598 N SER A 39 -5.704 5.145 -4.546 1.00 23.31 N ATOM 599 CA SER A 39 -4.256 5.374 -4.716 1.00 34.45 C ATOM 600 C SER A 39 -3.749 6.563 -3.881 1.00 14.42 C ATOM 601 O SER A 39 -2.539 6.762 -3.735 1.00 33.40 O ATOM 602 CB SER A 39 -3.926 5.618 -6.192 1.00 33.43 C ATOM 603 OG SER A 39 -4.585 6.777 -6.676 1.00 11.12 O ATOM 0 H SER A 39 -6.248 5.266 -5.400 1.00 23.31 H new ATOM 0 HA SER A 39 -3.751 4.475 -4.362 1.00 34.45 H new ATOM 0 HB2 SER A 39 -2.849 5.731 -6.314 1.00 33.43 H new ATOM 0 HB3 SER A 39 -4.225 4.752 -6.783 1.00 33.43 H new ATOM 0 HG SER A 39 -4.357 6.913 -7.619 1.00 11.12 H new ATOM 609 N ALA A 40 -4.675 7.367 -3.364 1.00 14.44 N ATOM 610 CA ALA A 40 -4.340 8.499 -2.496 1.00 42.42 C ATOM 611 C ALA A 40 -4.617 8.170 -1.019 1.00 2.25 C ATOM 612 O ALA A 40 -3.780 8.408 -0.151 1.00 41.32 O ATOM 613 CB ALA A 40 -5.119 9.738 -2.928 1.00 34.44 C ATOM 0 H ALA A 40 -5.675 7.255 -3.532 1.00 14.44 H new ATOM 0 HA ALA A 40 -3.273 8.701 -2.594 1.00 42.42 H new ATOM 0 HB1 ALA A 40 -4.863 10.574 -2.277 1.00 34.44 H new ATOM 0 HB2 ALA A 40 -4.863 9.988 -3.957 1.00 34.44 H new ATOM 0 HB3 ALA A 40 -6.188 9.538 -2.859 1.00 34.44 H new ATOM 619 N TYR A 41 -5.792 7.603 -0.749 1.00 2.11 N ATOM 620 CA TYR A 41 -6.185 7.227 0.618 1.00 44.24 C ATOM 621 C TYR A 41 -5.185 6.239 1.250 1.00 23.25 C ATOM 622 O TYR A 41 -4.671 6.471 2.346 1.00 40.24 O ATOM 623 CB TYR A 41 -7.592 6.614 0.600 1.00 30.41 C ATOM 624 CG TYR A 41 -8.129 6.253 1.976 1.00 74.05 C ATOM 625 CD1 TYR A 41 -8.743 7.214 2.774 1.00 32.02 C ATOM 626 CD2 TYR A 41 -8.019 4.960 2.480 1.00 52.21 C ATOM 627 CE1 TYR A 41 -9.231 6.896 4.028 1.00 2.14 C ATOM 628 CE2 TYR A 41 -8.506 4.638 3.732 1.00 42.45 C ATOM 629 CZ TYR A 41 -9.108 5.607 4.502 1.00 43.20 C ATOM 630 OH TYR A 41 -9.594 5.288 5.749 1.00 72.32 O ATOM 0 H TYR A 41 -6.494 7.391 -1.458 1.00 2.11 H new ATOM 0 HA TYR A 41 -6.184 8.130 1.229 1.00 44.24 H new ATOM 0 HB2 TYR A 41 -8.277 7.318 0.127 1.00 30.41 H new ATOM 0 HB3 TYR A 41 -7.578 5.717 -0.020 1.00 30.41 H new ATOM 0 HD1 TYR A 41 -8.840 8.225 2.407 1.00 32.02 H new ATOM 0 HD2 TYR A 41 -7.545 4.196 1.882 1.00 52.21 H new ATOM 0 HE1 TYR A 41 -9.706 7.654 4.633 1.00 2.14 H new ATOM 0 HE2 TYR A 41 -8.415 3.629 4.106 1.00 42.45 H new ATOM 0 HH TYR A 41 -9.429 4.339 5.932 1.00 72.32 H new ATOM 640 N ILE A 42 -4.908 5.140 0.549 1.00 51.52 N ATOM 641 CA ILE A 42 -3.977 4.115 1.044 1.00 61.10 C ATOM 642 C ILE A 42 -2.550 4.677 1.191 1.00 34.23 C ATOM 643 O ILE A 42 -1.760 4.204 2.011 1.00 61.12 O ATOM 644 CB ILE A 42 -3.955 2.882 0.098 1.00 71.02 C ATOM 645 CG1 ILE A 42 -5.372 2.298 -0.060 1.00 24.34 C ATOM 646 CG2 ILE A 42 -2.988 1.812 0.607 1.00 34.01 C ATOM 647 CD1 ILE A 42 -5.998 1.821 1.238 1.00 30.21 C ATOM 0 H ILE A 42 -5.313 4.933 -0.364 1.00 51.52 H new ATOM 0 HA ILE A 42 -4.332 3.805 2.027 1.00 61.10 H new ATOM 0 HB ILE A 42 -3.604 3.214 -0.879 1.00 71.02 H new ATOM 0 HG12 ILE A 42 -6.017 3.056 -0.504 1.00 24.34 H new ATOM 0 HG13 ILE A 42 -5.333 1.463 -0.759 1.00 24.34 H new ATOM 0 HG21 ILE A 42 -2.994 0.962 -0.075 1.00 34.01 H new ATOM 0 HG22 ILE A 42 -1.982 2.227 0.661 1.00 34.01 H new ATOM 0 HG23 ILE A 42 -3.298 1.483 1.599 1.00 34.01 H new ATOM 0 HD11 ILE A 42 -6.994 1.425 1.038 1.00 30.21 H new ATOM 0 HD12 ILE A 42 -5.378 1.039 1.675 1.00 30.21 H new ATOM 0 HD13 ILE A 42 -6.073 2.656 1.934 1.00 30.21 H new ATOM 659 N ARG A 43 -2.250 5.714 0.414 1.00 44.40 N ATOM 660 CA ARG A 43 -0.912 6.313 0.387 1.00 22.44 C ATOM 661 C ARG A 43 -0.510 6.870 1.761 1.00 64.12 C ATOM 662 O ARG A 43 0.642 6.753 2.174 1.00 13.13 O ATOM 663 CB ARG A 43 -0.870 7.427 -0.664 1.00 53.21 C ATOM 664 CG ARG A 43 0.537 7.867 -1.061 1.00 64.23 C ATOM 665 CD ARG A 43 0.496 8.967 -2.117 1.00 62.51 C ATOM 666 NE ARG A 43 -0.465 8.659 -3.178 1.00 50.40 N ATOM 667 CZ ARG A 43 -0.665 9.401 -4.229 1.00 53.11 C ATOM 668 NH1 ARG A 43 0.081 10.431 -4.467 1.00 63.22 N ATOM 669 NH2 ARG A 43 -1.600 9.084 -5.065 1.00 60.53 N ATOM 0 H ARG A 43 -2.919 6.163 -0.211 1.00 44.40 H new ATOM 0 HA ARG A 43 -0.197 5.532 0.127 1.00 22.44 H new ATOM 0 HB2 ARG A 43 -1.397 7.088 -1.556 1.00 53.21 H new ATOM 0 HB3 ARG A 43 -1.413 8.291 -0.282 1.00 53.21 H new ATOM 0 HG2 ARG A 43 1.071 8.225 -0.180 1.00 64.23 H new ATOM 0 HG3 ARG A 43 1.093 7.012 -1.445 1.00 64.23 H new ATOM 0 HD2 ARG A 43 0.229 9.914 -1.647 1.00 62.51 H new ATOM 0 HD3 ARG A 43 1.488 9.094 -2.550 1.00 62.51 H new ATOM 0 HE ARG A 43 -1.015 7.805 -3.088 1.00 50.40 H new ATOM 0 HH11 ARG A 43 0.838 10.671 -3.827 1.00 63.22 H new ATOM 0 HH12 ARG A 43 -0.088 11.003 -5.295 1.00 63.22 H new ATOM 0 HH21 ARG A 43 -2.174 8.258 -4.898 1.00 60.53 H new ATOM 0 HH22 ARG A 43 -1.763 9.660 -5.891 1.00 60.53 H new ATOM 683 N ARG A 44 -1.462 7.474 2.471 1.00 44.14 N ATOM 684 CA ARG A 44 -1.182 8.022 3.805 1.00 50.22 C ATOM 685 C ARG A 44 -1.117 6.905 4.863 1.00 44.50 C ATOM 686 O ARG A 44 -0.414 7.026 5.866 1.00 44.12 O ATOM 687 CB ARG A 44 -2.227 9.083 4.193 1.00 24.13 C ATOM 688 CG ARG A 44 -3.587 8.525 4.613 1.00 30.53 C ATOM 689 CD ARG A 44 -4.585 9.642 4.910 1.00 1.04 C ATOM 690 NE ARG A 44 -5.785 9.157 5.590 1.00 0.04 N ATOM 691 CZ ARG A 44 -7.002 9.492 5.263 1.00 43.34 C ATOM 692 NH1 ARG A 44 -7.231 10.207 4.209 1.00 23.04 N ATOM 693 NH2 ARG A 44 -7.999 9.093 5.980 1.00 3.21 N ATOM 0 H ARG A 44 -2.423 7.597 2.153 1.00 44.14 H new ATOM 0 HA ARG A 44 -0.205 8.505 3.768 1.00 50.22 H new ATOM 0 HB2 ARG A 44 -1.828 9.682 5.012 1.00 24.13 H new ATOM 0 HB3 ARG A 44 -2.372 9.755 3.347 1.00 24.13 H new ATOM 0 HG2 ARG A 44 -3.979 7.887 3.821 1.00 30.53 H new ATOM 0 HG3 ARG A 44 -3.467 7.899 5.497 1.00 30.53 H new ATOM 0 HD2 ARG A 44 -4.103 10.400 5.527 1.00 1.04 H new ATOM 0 HD3 ARG A 44 -4.871 10.126 3.976 1.00 1.04 H new ATOM 0 HE ARG A 44 -5.662 8.514 6.372 1.00 0.04 H new ATOM 0 HH11 ARG A 44 -6.455 10.515 3.623 1.00 23.04 H new ATOM 0 HH12 ARG A 44 -8.188 10.462 3.964 1.00 23.04 H new ATOM 0 HH21 ARG A 44 -7.835 8.515 6.804 1.00 3.21 H new ATOM 0 HH22 ARG A 44 -8.950 9.356 5.722 1.00 3.21 H new ATOM 707 N ILE A 45 -1.843 5.809 4.622 1.00 52.24 N ATOM 708 CA ILE A 45 -1.816 4.649 5.525 1.00 24.54 C ATOM 709 C ILE A 45 -0.410 4.030 5.579 1.00 20.13 C ATOM 710 O ILE A 45 0.140 3.803 6.658 1.00 30.54 O ATOM 711 CB ILE A 45 -2.836 3.559 5.093 1.00 3.44 C ATOM 712 CG1 ILE A 45 -4.265 4.131 5.086 1.00 1.13 C ATOM 713 CG2 ILE A 45 -2.742 2.331 6.007 1.00 15.11 C ATOM 714 CD1 ILE A 45 -5.326 3.126 4.679 1.00 44.24 C ATOM 0 H ILE A 45 -2.455 5.699 3.813 1.00 52.24 H new ATOM 0 HA ILE A 45 -2.093 5.013 6.514 1.00 24.54 H new ATOM 0 HB ILE A 45 -2.590 3.242 4.080 1.00 3.44 H new ATOM 0 HG12 ILE A 45 -4.499 4.510 6.081 1.00 1.13 H new ATOM 0 HG13 ILE A 45 -4.303 4.981 4.404 1.00 1.13 H new ATOM 0 HG21 ILE A 45 -3.465 1.582 5.685 1.00 15.11 H new ATOM 0 HG22 ILE A 45 -1.737 1.913 5.952 1.00 15.11 H new ATOM 0 HG23 ILE A 45 -2.957 2.625 7.034 1.00 15.11 H new ATOM 0 HD11 ILE A 45 -6.306 3.603 4.698 1.00 44.24 H new ATOM 0 HD12 ILE A 45 -5.118 2.765 3.672 1.00 44.24 H new ATOM 0 HD13 ILE A 45 -5.318 2.287 5.374 1.00 44.24 H new ATOM 726 N ILE A 46 0.161 3.754 4.407 1.00 1.41 N ATOM 727 CA ILE A 46 1.519 3.204 4.320 1.00 72.45 C ATOM 728 C ILE A 46 2.572 4.234 4.765 1.00 40.14 C ATOM 729 O ILE A 46 3.470 3.908 5.540 1.00 40.54 O ATOM 730 CB ILE A 46 1.838 2.690 2.888 1.00 20.55 C ATOM 731 CG1 ILE A 46 1.591 3.792 1.839 1.00 4.21 C ATOM 732 CG2 ILE A 46 1.007 1.447 2.572 1.00 4.31 C ATOM 733 CD1 ILE A 46 1.765 3.336 0.404 1.00 1.13 C ATOM 0 H ILE A 46 -0.292 3.901 3.505 1.00 1.41 H new ATOM 0 HA ILE A 46 1.562 2.355 5.002 1.00 72.45 H new ATOM 0 HB ILE A 46 2.893 2.420 2.849 1.00 20.55 H new ATOM 0 HG12 ILE A 46 0.579 4.178 1.965 1.00 4.21 H new ATOM 0 HG13 ILE A 46 2.274 4.620 2.031 1.00 4.21 H new ATOM 0 HG21 ILE A 46 1.241 1.099 1.566 1.00 4.31 H new ATOM 0 HG22 ILE A 46 1.239 0.662 3.291 1.00 4.31 H new ATOM 0 HG23 ILE A 46 -0.053 1.693 2.633 1.00 4.31 H new ATOM 0 HD11 ILE A 46 1.573 4.172 -0.269 1.00 1.13 H new ATOM 0 HD12 ILE A 46 2.784 2.978 0.257 1.00 1.13 H new ATOM 0 HD13 ILE A 46 1.063 2.530 0.191 1.00 1.13 H new ATOM 745 N LEU A 47 2.427 5.481 4.307 1.00 73.54 N ATOM 746 CA LEU A 47 3.344 6.574 4.679 1.00 4.21 C ATOM 747 C LEU A 47 3.545 6.649 6.204 1.00 31.34 C ATOM 748 O LEU A 47 4.666 6.534 6.711 1.00 41.24 O ATOM 749 CB LEU A 47 2.794 7.916 4.162 1.00 34.52 C ATOM 750 CG LEU A 47 3.638 9.159 4.500 1.00 32.51 C ATOM 751 CD1 LEU A 47 5.004 9.097 3.819 1.00 3.03 C ATOM 752 CD2 LEU A 47 2.894 10.435 4.104 1.00 3.34 C ATOM 0 H LEU A 47 1.679 5.764 3.674 1.00 73.54 H new ATOM 0 HA LEU A 47 4.312 6.370 4.220 1.00 4.21 H new ATOM 0 HB2 LEU A 47 2.692 7.853 3.079 1.00 34.52 H new ATOM 0 HB3 LEU A 47 1.793 8.058 4.569 1.00 34.52 H new ATOM 0 HG LEU A 47 3.802 9.175 5.578 1.00 32.51 H new ATOM 0 HD11 LEU A 47 5.579 9.987 4.075 1.00 3.03 H new ATOM 0 HD12 LEU A 47 5.539 8.210 4.157 1.00 3.03 H new ATOM 0 HD13 LEU A 47 4.870 9.050 2.738 1.00 3.03 H new ATOM 0 HD21 LEU A 47 3.505 11.304 4.350 1.00 3.34 H new ATOM 0 HD22 LEU A 47 2.695 10.423 3.032 1.00 3.34 H new ATOM 0 HD23 LEU A 47 1.951 10.489 4.647 1.00 3.34 H new ATOM 764 N ASN A 48 2.441 6.819 6.930 1.00 31.34 N ATOM 765 CA ASN A 48 2.479 6.942 8.392 1.00 53.32 C ATOM 766 C ASN A 48 2.847 5.613 9.079 1.00 13.25 C ATOM 767 O ASN A 48 3.153 5.587 10.269 1.00 61.24 O ATOM 768 CB ASN A 48 1.125 7.444 8.911 1.00 65.04 C ATOM 769 CG ASN A 48 0.767 8.822 8.374 1.00 10.01 C ATOM 770 OD1 ASN A 48 1.167 9.207 7.280 1.00 24.34 O ATOM 771 ND2 ASN A 48 0.004 9.577 9.138 1.00 43.21 N ATOM 0 H ASN A 48 1.504 6.875 6.530 1.00 31.34 H new ATOM 0 HA ASN A 48 3.258 7.663 8.639 1.00 53.32 H new ATOM 0 HB2 ASN A 48 0.347 6.735 8.629 1.00 65.04 H new ATOM 0 HB3 ASN A 48 1.147 7.477 10.000 1.00 65.04 H new ATOM 0 HD21 ASN A 48 -0.269 10.508 8.824 1.00 43.21 H new ATOM 0 HD22 ASN A 48 -0.314 9.230 10.043 1.00 43.21 H new ATOM 778 N HIS A 49 2.815 4.513 8.330 1.00 4.11 N ATOM 779 CA HIS A 49 3.122 3.191 8.887 1.00 62.54 C ATOM 780 C HIS A 49 4.612 2.833 8.704 1.00 44.45 C ATOM 781 O HIS A 49 5.191 2.131 9.531 1.00 13.43 O ATOM 782 CB HIS A 49 2.231 2.124 8.233 1.00 21.10 C ATOM 783 CG HIS A 49 2.093 0.865 9.045 1.00 74.41 C ATOM 784 ND1 HIS A 49 0.976 0.573 9.797 1.00 40.02 N ATOM 785 CD2 HIS A 49 2.931 -0.187 9.210 1.00 62.25 C ATOM 786 CE1 HIS A 49 1.136 -0.590 10.391 1.00 74.12 C ATOM 787 NE2 HIS A 49 2.311 -1.077 10.053 1.00 25.43 N ATOM 0 H HIS A 49 2.580 4.507 7.337 1.00 4.11 H new ATOM 0 HA HIS A 49 2.918 3.220 9.957 1.00 62.54 H new ATOM 0 HB2 HIS A 49 1.240 2.546 8.063 1.00 21.10 H new ATOM 0 HB3 HIS A 49 2.641 1.871 7.255 1.00 21.10 H new ATOM 0 HD2 HIS A 49 3.906 -0.304 8.761 1.00 62.25 H new ATOM 0 HE1 HIS A 49 0.422 -1.066 11.047 1.00 74.12 H new ATOM 0 HE2 HIS A 49 2.697 -1.968 10.365 1.00 25.43 H new ATOM 796 N LEU A 50 5.225 3.312 7.618 1.00 4.12 N ATOM 797 CA LEU A 50 6.651 3.056 7.354 1.00 43.22 C ATOM 798 C LEU A 50 7.557 3.961 8.207 1.00 1.31 C ATOM 799 O LEU A 50 8.555 3.498 8.765 1.00 61.21 O ATOM 800 CB LEU A 50 6.970 3.225 5.856 1.00 45.15 C ATOM 801 CG LEU A 50 6.745 1.975 4.975 1.00 43.31 C ATOM 802 CD1 LEU A 50 7.684 0.845 5.395 1.00 30.01 C ATOM 803 CD2 LEU A 50 5.289 1.514 5.027 1.00 41.55 C ATOM 0 H LEU A 50 4.761 3.878 6.907 1.00 4.12 H new ATOM 0 HA LEU A 50 6.855 2.023 7.637 1.00 43.22 H new ATOM 0 HB2 LEU A 50 6.359 4.038 5.463 1.00 45.15 H new ATOM 0 HB3 LEU A 50 8.011 3.533 5.758 1.00 45.15 H new ATOM 0 HG LEU A 50 6.971 2.248 3.944 1.00 43.31 H new ATOM 0 HD11 LEU A 50 7.510 -0.026 4.763 1.00 30.01 H new ATOM 0 HD12 LEU A 50 8.718 1.172 5.286 1.00 30.01 H new ATOM 0 HD13 LEU A 50 7.494 0.582 6.436 1.00 30.01 H new ATOM 0 HD21 LEU A 50 5.163 0.633 4.397 1.00 41.55 H new ATOM 0 HD22 LEU A 50 5.022 1.266 6.054 1.00 41.55 H new ATOM 0 HD23 LEU A 50 4.641 2.313 4.667 1.00 41.55 H new ATOM 815 N GLU A 51 7.218 5.249 8.305 1.00 72.55 N ATOM 816 CA GLU A 51 7.963 6.171 9.180 1.00 2.31 C ATOM 817 C GLU A 51 7.840 5.741 10.653 1.00 21.15 C ATOM 818 O GLU A 51 8.754 5.944 11.456 1.00 51.31 O ATOM 819 CB GLU A 51 7.468 7.613 9.008 1.00 52.33 C ATOM 820 CG GLU A 51 6.008 7.824 9.395 1.00 25.33 C ATOM 821 CD GLU A 51 5.571 9.276 9.274 1.00 61.01 C ATOM 822 OE1 GLU A 51 5.131 9.684 8.181 1.00 71.41 O ATOM 823 OE2 GLU A 51 5.670 10.019 10.277 1.00 22.51 O ATOM 0 H GLU A 51 6.443 5.677 7.798 1.00 72.55 H new ATOM 0 HA GLU A 51 9.013 6.131 8.890 1.00 2.31 H new ATOM 0 HB2 GLU A 51 8.091 8.273 9.611 1.00 52.33 H new ATOM 0 HB3 GLU A 51 7.603 7.910 7.968 1.00 52.33 H new ATOM 0 HG2 GLU A 51 5.375 7.205 8.760 1.00 25.33 H new ATOM 0 HG3 GLU A 51 5.856 7.488 10.421 1.00 25.33 H new ATOM 830 N ASP A 52 6.693 5.153 10.993 1.00 74.23 N ATOM 831 CA ASP A 52 6.465 4.582 12.319 1.00 43.14 C ATOM 832 C ASP A 52 7.308 3.308 12.509 1.00 70.21 C ATOM 833 O ASP A 52 8.196 3.251 13.362 1.00 21.10 O ATOM 834 CB ASP A 52 4.970 4.272 12.487 1.00 34.34 C ATOM 835 CG ASP A 52 4.627 3.726 13.862 1.00 43.31 C ATOM 836 OD1 ASP A 52 4.706 2.497 14.057 1.00 42.13 O ATOM 837 OD2 ASP A 52 4.269 4.522 14.753 1.00 20.20 O ATOM 0 H ASP A 52 5.899 5.060 10.359 1.00 74.23 H new ATOM 0 HA ASP A 52 6.769 5.302 13.079 1.00 43.14 H new ATOM 0 HB2 ASP A 52 4.394 5.180 12.309 1.00 34.34 H new ATOM 0 HB3 ASP A 52 4.667 3.549 11.729 1.00 34.34 H new ATOM 1022 N ASP B 212 -6.736 -14.946 -5.946 1.00 64.05 N ATOM 1023 CA ASP B 212 -7.044 -14.668 -4.539 1.00 12.41 C ATOM 1024 C ASP B 212 -7.313 -13.174 -4.275 1.00 5.01 C ATOM 1025 O ASP B 212 -8.125 -12.819 -3.417 1.00 35.40 O ATOM 1026 CB ASP B 212 -5.875 -15.147 -3.669 1.00 52.43 C ATOM 1027 CG ASP B 212 -4.551 -14.513 -4.074 1.00 2.34 C ATOM 1028 OD1 ASP B 212 -4.055 -14.818 -5.178 1.00 70.43 O ATOM 1029 OD2 ASP B 212 -3.996 -13.709 -3.295 1.00 34.31 O ATOM 0 HA ASP B 212 -7.958 -15.204 -4.286 1.00 12.41 H new ATOM 0 HB2 ASP B 212 -6.083 -14.912 -2.625 1.00 52.43 H new ATOM 0 HB3 ASP B 212 -5.792 -16.231 -3.741 1.00 52.43 H new ATOM 1034 N THR B 213 -6.622 -12.305 -5.009 1.00 62.21 N ATOM 1035 CA THR B 213 -6.689 -10.855 -4.768 1.00 31.43 C ATOM 1036 C THR B 213 -6.679 -10.039 -6.070 1.00 14.23 C ATOM 1037 O THR B 213 -6.244 -10.516 -7.122 1.00 1.53 O ATOM 1038 CB THR B 213 -5.506 -10.387 -3.887 1.00 31.41 C ATOM 1039 OG1 THR B 213 -4.277 -10.920 -4.390 1.00 5.01 O ATOM 1040 CG2 THR B 213 -5.679 -10.813 -2.435 1.00 54.44 C ATOM 0 H THR B 213 -6.007 -12.574 -5.777 1.00 62.21 H new ATOM 0 HA THR B 213 -7.635 -10.679 -4.256 1.00 31.43 H new ATOM 0 HB THR B 213 -5.484 -9.298 -3.924 1.00 31.41 H new ATOM 0 HG1 THR B 213 -4.205 -11.866 -4.144 1.00 5.01 H new ATOM 0 HG21 THR B 213 -4.828 -10.465 -1.850 1.00 54.44 H new ATOM 0 HG22 THR B 213 -6.596 -10.379 -2.035 1.00 54.44 H new ATOM 0 HG23 THR B 213 -5.738 -11.900 -2.379 1.00 54.44 H new ATOM 1048 N LYS B 214 -7.161 -8.797 -5.980 1.00 62.10 N ATOM 1049 CA LYS B 214 -7.195 -7.870 -7.120 1.00 75.14 C ATOM 1050 C LYS B 214 -5.921 -7.001 -7.168 1.00 23.42 C ATOM 1051 O LYS B 214 -5.447 -6.525 -6.133 1.00 44.31 O ATOM 1052 CB LYS B 214 -8.423 -6.953 -7.009 1.00 3.53 C ATOM 1053 CG LYS B 214 -9.770 -7.678 -6.996 1.00 1.40 C ATOM 1054 CD LYS B 214 -10.071 -8.364 -8.327 1.00 75.31 C ATOM 1055 CE LYS B 214 -11.490 -8.934 -8.362 1.00 45.24 C ATOM 1056 NZ LYS B 214 -12.527 -7.872 -8.233 1.00 61.22 N ATOM 0 H LYS B 214 -7.539 -8.404 -5.118 1.00 62.10 H new ATOM 0 HA LYS B 214 -7.251 -8.462 -8.034 1.00 75.14 H new ATOM 0 HB2 LYS B 214 -8.336 -6.363 -6.097 1.00 3.53 H new ATOM 0 HB3 LYS B 214 -8.412 -6.253 -7.844 1.00 3.53 H new ATOM 0 HG2 LYS B 214 -9.773 -8.421 -6.198 1.00 1.40 H new ATOM 0 HG3 LYS B 214 -10.562 -6.964 -6.770 1.00 1.40 H new ATOM 0 HD2 LYS B 214 -9.946 -7.650 -9.141 1.00 75.31 H new ATOM 0 HD3 LYS B 214 -9.352 -9.166 -8.493 1.00 75.31 H new ATOM 0 HE2 LYS B 214 -11.640 -9.474 -9.297 1.00 45.24 H new ATOM 0 HE3 LYS B 214 -11.610 -9.656 -7.554 1.00 45.24 H new ATOM 0 HZ1 LYS B 214 -13.234 -7.984 -8.988 1.00 61.22 H new ATOM 0 HZ2 LYS B 214 -12.993 -7.953 -7.307 1.00 61.22 H new ATOM 0 HZ3 LYS B 214 -12.079 -6.937 -8.314 1.00 61.22 H new ATOM 1070 N PRO B 215 -5.348 -6.780 -8.367 1.00 53.25 N ATOM 1071 CA PRO B 215 -4.173 -5.909 -8.536 1.00 3.13 C ATOM 1072 C PRO B 215 -4.526 -4.411 -8.432 1.00 11.14 C ATOM 1073 O PRO B 215 -5.099 -3.830 -9.358 1.00 3.01 O ATOM 1074 CB PRO B 215 -3.660 -6.253 -9.953 1.00 43.13 C ATOM 1075 CG PRO B 215 -4.475 -7.426 -10.410 1.00 40.12 C ATOM 1076 CD PRO B 215 -5.769 -7.362 -9.646 1.00 61.51 C ATOM 0 HA PRO B 215 -3.433 -6.076 -7.754 1.00 3.13 H new ATOM 0 HB2 PRO B 215 -3.781 -5.406 -10.629 1.00 43.13 H new ATOM 0 HB3 PRO B 215 -2.598 -6.498 -9.935 1.00 43.13 H new ATOM 0 HG2 PRO B 215 -4.655 -7.380 -11.484 1.00 40.12 H new ATOM 0 HG3 PRO B 215 -3.953 -8.363 -10.214 1.00 40.12 H new ATOM 0 HD2 PRO B 215 -6.509 -6.742 -10.151 1.00 61.51 H new ATOM 0 HD3 PRO B 215 -6.214 -8.348 -9.517 1.00 61.51 H new ATOM 1084 N VAL B 216 -4.203 -3.799 -7.295 1.00 54.10 N ATOM 1085 CA VAL B 216 -4.477 -2.375 -7.064 1.00 33.45 C ATOM 1086 C VAL B 216 -3.208 -1.523 -7.249 1.00 55.41 C ATOM 1087 O VAL B 216 -2.144 -1.854 -6.727 1.00 74.23 O ATOM 1088 CB VAL B 216 -5.040 -2.143 -5.637 1.00 2.35 C ATOM 1089 CG1 VAL B 216 -5.385 -0.670 -5.414 1.00 61.33 C ATOM 1090 CG2 VAL B 216 -6.260 -3.029 -5.390 1.00 4.40 C ATOM 0 H VAL B 216 -3.748 -4.268 -6.512 1.00 54.10 H new ATOM 0 HA VAL B 216 -5.220 -2.069 -7.801 1.00 33.45 H new ATOM 0 HB VAL B 216 -4.266 -2.417 -4.920 1.00 2.35 H new ATOM 0 HG11 VAL B 216 -5.777 -0.537 -4.406 1.00 61.33 H new ATOM 0 HG12 VAL B 216 -4.488 -0.063 -5.537 1.00 61.33 H new ATOM 0 HG13 VAL B 216 -6.136 -0.358 -6.140 1.00 61.33 H new ATOM 0 HG21 VAL B 216 -6.641 -2.852 -4.384 1.00 4.40 H new ATOM 0 HG22 VAL B 216 -7.035 -2.792 -6.118 1.00 4.40 H new ATOM 0 HG23 VAL B 216 -5.976 -4.076 -5.491 1.00 4.40 H new ATOM 1100 N VAL B 217 -3.327 -0.430 -8.000 1.00 53.20 N ATOM 1101 CA VAL B 217 -2.202 0.488 -8.216 1.00 3.15 C ATOM 1102 C VAL B 217 -2.074 1.495 -7.061 1.00 44.20 C ATOM 1103 O VAL B 217 -2.871 2.429 -6.937 1.00 4.34 O ATOM 1104 CB VAL B 217 -2.350 1.258 -9.553 1.00 25.34 C ATOM 1105 CG1 VAL B 217 -1.139 2.159 -9.805 1.00 4.34 C ATOM 1106 CG2 VAL B 217 -2.554 0.287 -10.716 1.00 12.54 C ATOM 0 H VAL B 217 -4.189 -0.155 -8.471 1.00 53.20 H new ATOM 0 HA VAL B 217 -1.300 -0.122 -8.257 1.00 3.15 H new ATOM 0 HB VAL B 217 -3.232 1.894 -9.479 1.00 25.34 H new ATOM 0 HG11 VAL B 217 -1.269 2.687 -10.749 1.00 4.34 H new ATOM 0 HG12 VAL B 217 -1.048 2.882 -8.994 1.00 4.34 H new ATOM 0 HG13 VAL B 217 -0.236 1.550 -9.851 1.00 4.34 H new ATOM 0 HG21 VAL B 217 -2.656 0.848 -11.645 1.00 12.54 H new ATOM 0 HG22 VAL B 217 -1.695 -0.381 -10.787 1.00 12.54 H new ATOM 0 HG23 VAL B 217 -3.457 -0.300 -10.546 1.00 12.54 H new ATOM 1116 N VAL B 218 -1.070 1.293 -6.211 1.00 73.22 N ATOM 1117 CA VAL B 218 -0.823 2.177 -5.064 1.00 61.51 C ATOM 1118 C VAL B 218 0.493 2.954 -5.243 1.00 62.31 C ATOM 1119 O VAL B 218 1.431 2.460 -5.856 1.00 24.52 O ATOM 1120 CB VAL B 218 -0.763 1.366 -3.741 1.00 41.01 C ATOM 1121 CG1 VAL B 218 -0.571 2.286 -2.532 1.00 21.42 C ATOM 1122 CG2 VAL B 218 -2.016 0.503 -3.577 1.00 5.01 C ATOM 0 H VAL B 218 -0.408 0.521 -6.292 1.00 73.22 H new ATOM 0 HA VAL B 218 -1.651 2.884 -5.012 1.00 61.51 H new ATOM 0 HB VAL B 218 0.102 0.705 -3.794 1.00 41.01 H new ATOM 0 HG11 VAL B 218 -0.533 1.688 -1.622 1.00 21.42 H new ATOM 0 HG12 VAL B 218 0.361 2.840 -2.641 1.00 21.42 H new ATOM 0 HG13 VAL B 218 -1.404 2.986 -2.471 1.00 21.42 H new ATOM 0 HG21 VAL B 218 -1.953 -0.057 -2.644 1.00 5.01 H new ATOM 0 HG22 VAL B 218 -2.898 1.143 -3.558 1.00 5.01 H new ATOM 0 HG23 VAL B 218 -2.091 -0.193 -4.413 1.00 5.01 H new ATOM 1132 N ARG B 219 0.561 4.176 -4.720 1.00 60.00 N ATOM 1133 CA ARG B 219 1.787 4.981 -4.813 1.00 35.45 C ATOM 1134 C ARG B 219 2.572 4.971 -3.486 1.00 71.41 C ATOM 1135 O ARG B 219 2.011 5.246 -2.425 1.00 23.25 O ATOM 1136 CB ARG B 219 1.460 6.424 -5.213 1.00 45.13 C ATOM 1137 CG ARG B 219 0.990 6.601 -6.657 1.00 73.25 C ATOM 1138 CD ARG B 219 0.973 8.077 -7.059 1.00 13.20 C ATOM 1139 NE ARG B 219 0.451 8.290 -8.408 1.00 10.52 N ATOM 1140 CZ ARG B 219 0.688 9.356 -9.133 1.00 50.05 C ATOM 1141 NH1 ARG B 219 1.431 10.323 -8.688 1.00 33.11 N ATOM 1142 NH2 ARG B 219 0.167 9.451 -10.311 1.00 1.43 N ATOM 0 H ARG B 219 -0.209 4.632 -4.230 1.00 60.00 H new ATOM 0 HA ARG B 219 2.413 4.531 -5.584 1.00 35.45 H new ATOM 0 HB2 ARG B 219 0.687 6.804 -4.545 1.00 45.13 H new ATOM 0 HB3 ARG B 219 2.347 7.039 -5.057 1.00 45.13 H new ATOM 0 HG2 ARG B 219 1.648 6.047 -7.326 1.00 73.25 H new ATOM 0 HG3 ARG B 219 -0.009 6.179 -6.771 1.00 73.25 H new ATOM 0 HD2 ARG B 219 0.366 8.636 -6.347 1.00 13.20 H new ATOM 0 HD3 ARG B 219 1.985 8.477 -6.998 1.00 13.20 H new ATOM 0 HE ARG B 219 -0.137 7.561 -8.812 1.00 10.52 H new ATOM 0 HH11 ARG B 219 1.844 10.262 -7.757 1.00 33.11 H new ATOM 0 HH12 ARG B 219 1.602 11.143 -9.269 1.00 33.11 H new ATOM 0 HH21 ARG B 219 -0.423 8.700 -10.670 1.00 1.43 H new ATOM 0 HH22 ARG B 219 0.346 10.277 -10.883 1.00 1.43 H new ATOM 1156 N LEU B 220 3.869 4.660 -3.562 1.00 2.21 N ATOM 1157 CA LEU B 220 4.742 4.593 -2.376 1.00 1.24 C ATOM 1158 C LEU B 220 5.950 5.541 -2.521 1.00 53.31 C ATOM 1159 O LEU B 220 6.452 5.756 -3.629 1.00 71.54 O ATOM 1160 CB LEU B 220 5.220 3.141 -2.171 1.00 41.51 C ATOM 1161 CG LEU B 220 6.090 2.883 -0.925 1.00 14.32 C ATOM 1162 CD1 LEU B 220 5.332 3.229 0.353 1.00 33.42 C ATOM 1163 CD2 LEU B 220 6.564 1.431 -0.892 1.00 55.40 C ATOM 0 H LEU B 220 4.345 4.448 -4.439 1.00 2.21 H new ATOM 0 HA LEU B 220 4.172 4.913 -1.504 1.00 1.24 H new ATOM 0 HB2 LEU B 220 4.343 2.496 -2.117 1.00 41.51 H new ATOM 0 HB3 LEU B 220 5.785 2.838 -3.053 1.00 41.51 H new ATOM 0 HG LEU B 220 6.965 3.531 -0.984 1.00 14.32 H new ATOM 0 HD11 LEU B 220 5.969 3.038 1.217 1.00 33.42 H new ATOM 0 HD12 LEU B 220 5.051 4.282 0.336 1.00 33.42 H new ATOM 0 HD13 LEU B 220 4.434 2.615 0.421 1.00 33.42 H new ATOM 0 HD21 LEU B 220 7.177 1.268 -0.005 1.00 55.40 H new ATOM 0 HD22 LEU B 220 5.700 0.767 -0.863 1.00 55.40 H new ATOM 0 HD23 LEU B 220 7.154 1.220 -1.784 1.00 55.40 H new ATOM 1175 N TYR B 221 6.414 6.111 -1.404 1.00 21.32 N ATOM 1176 CA TYR B 221 7.529 7.073 -1.426 1.00 5.51 C ATOM 1177 C TYR B 221 8.892 6.370 -1.598 1.00 74.44 C ATOM 1178 O TYR B 221 9.127 5.301 -1.032 1.00 23.33 O ATOM 1179 CB TYR B 221 7.523 7.929 -0.149 1.00 61.54 C ATOM 1180 CG TYR B 221 6.325 8.865 -0.043 1.00 54.20 C ATOM 1181 CD1 TYR B 221 5.053 8.373 0.253 1.00 62.31 C ATOM 1182 CD2 TYR B 221 6.463 10.235 -0.254 1.00 41.43 C ATOM 1183 CE1 TYR B 221 3.962 9.220 0.333 1.00 74.43 C ATOM 1184 CE2 TYR B 221 5.375 11.084 -0.170 1.00 64.13 C ATOM 1185 CZ TYR B 221 4.128 10.571 0.119 1.00 53.34 C ATOM 1186 OH TYR B 221 3.041 11.417 0.191 1.00 55.42 O ATOM 0 H TYR B 221 6.038 5.926 -0.474 1.00 21.32 H new ATOM 0 HA TYR B 221 7.385 7.722 -2.290 1.00 5.51 H new ATOM 0 HB2 TYR B 221 7.536 7.270 0.719 1.00 61.54 H new ATOM 0 HB3 TYR B 221 8.438 8.520 -0.114 1.00 61.54 H new ATOM 0 HD1 TYR B 221 4.918 7.315 0.422 1.00 62.31 H new ATOM 0 HD2 TYR B 221 7.436 10.641 -0.487 1.00 41.43 H new ATOM 0 HE1 TYR B 221 2.984 8.824 0.562 1.00 74.43 H new ATOM 0 HE2 TYR B 221 5.501 12.145 -0.330 1.00 64.13 H new ATOM 0 HH TYR B 221 3.330 12.337 0.016 1.00 55.42 H new ATOM 1196 N PRO B 222 9.818 6.978 -2.377 1.00 34.13 N ATOM 1197 CA PRO B 222 11.134 6.375 -2.691 1.00 45.14 C ATOM 1198 C PRO B 222 11.935 5.967 -1.440 1.00 30.35 C ATOM 1199 O PRO B 222 12.474 4.858 -1.375 1.00 61.43 O ATOM 1200 CB PRO B 222 11.865 7.485 -3.475 1.00 70.02 C ATOM 1201 CG PRO B 222 11.090 8.735 -3.208 1.00 12.44 C ATOM 1202 CD PRO B 222 9.666 8.299 -3.013 1.00 4.30 C ATOM 0 HA PRO B 222 11.020 5.445 -3.248 1.00 45.14 H new ATOM 0 HB2 PRO B 222 12.898 7.585 -3.143 1.00 70.02 H new ATOM 0 HB3 PRO B 222 11.893 7.260 -4.541 1.00 70.02 H new ATOM 0 HG2 PRO B 222 11.467 9.247 -2.323 1.00 12.44 H new ATOM 0 HG3 PRO B 222 11.175 9.433 -4.041 1.00 12.44 H new ATOM 0 HD2 PRO B 222 9.113 8.993 -2.380 1.00 4.30 H new ATOM 0 HD3 PRO B 222 9.129 8.234 -3.959 1.00 4.30 H new ATOM 1210 N ASP B 223 12.013 6.868 -0.457 1.00 54.40 N ATOM 1211 CA ASP B 223 12.685 6.581 0.821 1.00 4.24 C ATOM 1212 C ASP B 223 12.189 5.261 1.427 1.00 13.42 C ATOM 1213 O ASP B 223 12.977 4.395 1.821 1.00 4.21 O ATOM 1214 CB ASP B 223 12.423 7.718 1.814 1.00 42.33 C ATOM 1215 CG ASP B 223 12.875 9.068 1.294 1.00 20.32 C ATOM 1216 OD1 ASP B 223 12.259 9.575 0.337 1.00 4.24 O ATOM 1217 OD2 ASP B 223 13.841 9.637 1.850 1.00 42.33 O ATOM 0 H ASP B 223 11.619 7.807 -0.519 1.00 54.40 H new ATOM 0 HA ASP B 223 13.754 6.494 0.624 1.00 4.24 H new ATOM 0 HB2 ASP B 223 11.357 7.759 2.040 1.00 42.33 H new ATOM 0 HB3 ASP B 223 12.939 7.503 2.750 1.00 42.33 H new ATOM 1222 N GLU B 224 10.870 5.118 1.471 1.00 13.32 N ATOM 1223 CA GLU B 224 10.223 3.961 2.087 1.00 32.44 C ATOM 1224 C GLU B 224 10.508 2.674 1.303 1.00 42.52 C ATOM 1225 O GLU B 224 10.704 1.615 1.889 1.00 34.24 O ATOM 1226 CB GLU B 224 8.714 4.213 2.183 1.00 51.23 C ATOM 1227 CG GLU B 224 8.378 5.575 2.783 1.00 74.23 C ATOM 1228 CD GLU B 224 6.886 5.811 2.936 1.00 62.33 C ATOM 1229 OE1 GLU B 224 6.178 5.863 1.910 1.00 42.41 O ATOM 1230 OE2 GLU B 224 6.430 5.972 4.087 1.00 72.41 O ATOM 0 H GLU B 224 10.218 5.799 1.082 1.00 13.32 H new ATOM 0 HA GLU B 224 10.633 3.827 3.088 1.00 32.44 H new ATOM 0 HB2 GLU B 224 8.274 4.141 1.188 1.00 51.23 H new ATOM 0 HB3 GLU B 224 8.258 3.431 2.790 1.00 51.23 H new ATOM 0 HG2 GLU B 224 8.855 5.662 3.759 1.00 74.23 H new ATOM 0 HG3 GLU B 224 8.800 6.357 2.151 1.00 74.23 H new ATOM 1237 N ILE B 225 10.544 2.778 -0.026 1.00 14.13 N ATOM 1238 CA ILE B 225 10.877 1.631 -0.884 1.00 22.54 C ATOM 1239 C ILE B 225 12.288 1.093 -0.579 1.00 64.41 C ATOM 1240 O ILE B 225 12.475 -0.105 -0.346 1.00 51.43 O ATOM 1241 CB ILE B 225 10.797 2.015 -2.386 1.00 42.21 C ATOM 1242 CG1 ILE B 225 9.390 2.534 -2.733 1.00 31.40 C ATOM 1243 CG2 ILE B 225 11.176 0.827 -3.274 1.00 34.24 C ATOM 1244 CD1 ILE B 225 9.241 2.988 -4.169 1.00 51.14 C ATOM 0 H ILE B 225 10.348 3.640 -0.534 1.00 14.13 H new ATOM 0 HA ILE B 225 10.145 0.852 -0.670 1.00 22.54 H new ATOM 0 HB ILE B 225 11.513 2.814 -2.575 1.00 42.21 H new ATOM 0 HG12 ILE B 225 8.663 1.746 -2.534 1.00 31.40 H new ATOM 0 HG13 ILE B 225 9.147 3.366 -2.072 1.00 31.40 H new ATOM 0 HG21 ILE B 225 11.112 1.121 -4.322 1.00 34.24 H new ATOM 0 HG22 ILE B 225 12.195 0.513 -3.046 1.00 34.24 H new ATOM 0 HG23 ILE B 225 10.491 -0.000 -3.087 1.00 34.24 H new ATOM 0 HD11 ILE B 225 8.223 3.339 -4.336 1.00 51.14 H new ATOM 0 HD12 ILE B 225 9.942 3.798 -4.369 1.00 51.14 H new ATOM 0 HD13 ILE B 225 9.451 2.153 -4.838 1.00 51.14 H new ATOM 1256 N GLU B 226 13.272 1.995 -0.571 1.00 2.11 N ATOM 1257 CA GLU B 226 14.675 1.622 -0.331 1.00 32.03 C ATOM 1258 C GLU B 226 14.878 1.051 1.085 1.00 74.13 C ATOM 1259 O GLU B 226 15.633 0.094 1.284 1.00 53.53 O ATOM 1260 CB GLU B 226 15.584 2.844 -0.548 1.00 41.41 C ATOM 1261 CG GLU B 226 17.077 2.531 -0.472 1.00 65.15 C ATOM 1262 CD GLU B 226 17.958 3.756 -0.697 1.00 40.13 C ATOM 1263 OE1 GLU B 226 18.102 4.187 -1.863 1.00 11.10 O ATOM 1264 OE2 GLU B 226 18.515 4.289 0.289 1.00 24.54 O ATOM 0 H GLU B 226 13.126 2.992 -0.728 1.00 2.11 H new ATOM 0 HA GLU B 226 14.942 0.840 -1.042 1.00 32.03 H new ATOM 0 HB2 GLU B 226 15.364 3.279 -1.523 1.00 41.41 H new ATOM 0 HB3 GLU B 226 15.343 3.600 0.200 1.00 41.41 H new ATOM 0 HG2 GLU B 226 17.303 2.103 0.505 1.00 65.15 H new ATOM 0 HG3 GLU B 226 17.322 1.773 -1.217 1.00 65.15 H new ATOM 1271 N ALA B 227 14.200 1.652 2.064 1.00 12.21 N ATOM 1272 CA ALA B 227 14.271 1.192 3.456 1.00 22.03 C ATOM 1273 C ALA B 227 13.537 -0.145 3.650 1.00 65.11 C ATOM 1274 O ALA B 227 14.026 -1.043 4.341 1.00 23.00 O ATOM 1275 CB ALA B 227 13.691 2.254 4.387 1.00 63.22 C ATOM 0 H ALA B 227 13.594 2.460 1.921 1.00 12.21 H new ATOM 0 HA ALA B 227 15.320 1.030 3.702 1.00 22.03 H new ATOM 0 HB1 ALA B 227 13.748 1.904 5.418 1.00 63.22 H new ATOM 0 HB2 ALA B 227 14.261 3.178 4.285 1.00 63.22 H new ATOM 0 HB3 ALA B 227 12.650 2.439 4.124 1.00 63.22 H new ATOM 1281 N LEU B 228 12.368 -0.269 3.024 1.00 30.32 N ATOM 1282 CA LEU B 228 11.543 -1.480 3.123 1.00 51.42 C ATOM 1283 C LEU B 228 12.322 -2.734 2.708 1.00 24.12 C ATOM 1284 O LEU B 228 12.578 -3.620 3.526 1.00 15.33 O ATOM 1285 CB LEU B 228 10.295 -1.338 2.238 1.00 13.02 C ATOM 1286 CG LEU B 228 9.332 -2.536 2.251 1.00 32.25 C ATOM 1287 CD1 LEU B 228 8.669 -2.691 3.619 1.00 74.42 C ATOM 1288 CD2 LEU B 228 8.283 -2.394 1.151 1.00 62.42 C ATOM 0 H LEU B 228 11.964 0.460 2.436 1.00 30.32 H new ATOM 0 HA LEU B 228 11.249 -1.593 4.166 1.00 51.42 H new ATOM 0 HB2 LEU B 228 9.747 -0.450 2.554 1.00 13.02 H new ATOM 0 HB3 LEU B 228 10.617 -1.165 1.211 1.00 13.02 H new ATOM 0 HG LEU B 228 9.911 -3.439 2.056 1.00 32.25 H new ATOM 0 HD11 LEU B 228 7.993 -3.546 3.601 1.00 74.42 H new ATOM 0 HD12 LEU B 228 9.435 -2.850 4.378 1.00 74.42 H new ATOM 0 HD13 LEU B 228 8.106 -1.788 3.855 1.00 74.42 H new ATOM 0 HD21 LEU B 228 7.611 -3.252 1.176 1.00 62.42 H new ATOM 0 HD22 LEU B 228 7.711 -1.480 1.309 1.00 62.42 H new ATOM 0 HD23 LEU B 228 8.777 -2.349 0.181 1.00 62.42 H new ATOM 1300 N LYS B 229 12.718 -2.791 1.436 1.00 13.33 N ATOM 1301 CA LYS B 229 13.412 -3.967 0.895 1.00 54.22 C ATOM 1302 C LYS B 229 14.767 -4.211 1.583 1.00 35.12 C ATOM 1303 O LYS B 229 15.367 -5.276 1.431 1.00 53.22 O ATOM 1304 CB LYS B 229 13.600 -3.824 -0.623 1.00 13.30 C ATOM 1305 CG LYS B 229 14.520 -2.679 -1.040 1.00 11.20 C ATOM 1306 CD LYS B 229 14.549 -2.492 -2.557 1.00 50.14 C ATOM 1307 CE LYS B 229 14.984 -3.761 -3.286 1.00 60.05 C ATOM 1308 NZ LYS B 229 16.336 -4.222 -2.867 1.00 4.04 N ATOM 0 H LYS B 229 12.572 -2.041 0.761 1.00 13.33 H new ATOM 0 HA LYS B 229 12.786 -4.835 1.099 1.00 54.22 H new ATOM 0 HB2 LYS B 229 14.001 -4.758 -1.017 1.00 13.30 H new ATOM 0 HB3 LYS B 229 12.624 -3.676 -1.085 1.00 13.30 H new ATOM 0 HG2 LYS B 229 14.187 -1.755 -0.567 1.00 11.20 H new ATOM 0 HG3 LYS B 229 15.530 -2.875 -0.679 1.00 11.20 H new ATOM 0 HD2 LYS B 229 13.559 -2.197 -2.904 1.00 50.14 H new ATOM 0 HD3 LYS B 229 15.230 -1.679 -2.808 1.00 50.14 H new ATOM 0 HE2 LYS B 229 14.259 -4.552 -3.096 1.00 60.05 H new ATOM 0 HE3 LYS B 229 14.983 -3.578 -4.361 1.00 60.05 H new ATOM 0 HZ1 LYS B 229 16.628 -5.025 -3.460 1.00 4.04 H new ATOM 0 HZ2 LYS B 229 17.017 -3.444 -2.977 1.00 4.04 H new ATOM 0 HZ3 LYS B 229 16.308 -4.520 -1.871 1.00 4.04 H new ATOM 1322 N SER B 230 15.240 -3.225 2.340 1.00 24.45 N ATOM 1323 CA SER B 230 16.487 -3.366 3.105 1.00 51.04 C ATOM 1324 C SER B 230 16.266 -4.185 4.384 1.00 75.41 C ATOM 1325 O SER B 230 17.138 -4.952 4.800 1.00 10.45 O ATOM 1326 CB SER B 230 17.057 -1.987 3.476 1.00 74.25 C ATOM 1327 OG SER B 230 18.258 -2.106 4.224 1.00 62.21 O ATOM 0 H SER B 230 14.783 -2.319 2.444 1.00 24.45 H new ATOM 0 HA SER B 230 17.200 -3.892 2.470 1.00 51.04 H new ATOM 0 HB2 SER B 230 17.247 -1.414 2.568 1.00 74.25 H new ATOM 0 HB3 SER B 230 16.320 -1.431 4.055 1.00 74.25 H new ATOM 0 HG SER B 230 18.597 -1.213 4.443 1.00 62.21 H new ATOM 1333 N ARG B 231 15.096 -4.028 5.005 1.00 53.32 N ATOM 1334 CA ARG B 231 14.809 -4.689 6.286 1.00 73.41 C ATOM 1335 C ARG B 231 14.115 -6.052 6.094 1.00 74.10 C ATOM 1336 O ARG B 231 14.255 -6.948 6.931 1.00 13.35 O ATOM 1337 CB ARG B 231 13.946 -3.769 7.173 1.00 21.52 C ATOM 1338 CG ARG B 231 12.447 -3.799 6.862 1.00 52.14 C ATOM 1339 CD ARG B 231 11.681 -2.705 7.608 1.00 4.35 C ATOM 1340 NE ARG B 231 12.205 -2.471 8.957 1.00 14.23 N ATOM 1341 CZ ARG B 231 11.492 -2.486 10.051 1.00 71.45 C ATOM 1342 NH1 ARG B 231 10.248 -2.836 10.035 1.00 74.53 N ATOM 1343 NH2 ARG B 231 12.042 -2.173 11.175 1.00 33.10 N ATOM 0 H ARG B 231 14.333 -3.453 4.647 1.00 53.32 H new ATOM 0 HA ARG B 231 15.763 -4.879 6.779 1.00 73.41 H new ATOM 0 HB2 ARG B 231 14.092 -4.052 8.216 1.00 21.52 H new ATOM 0 HB3 ARG B 231 14.304 -2.745 7.067 1.00 21.52 H new ATOM 0 HG2 ARG B 231 12.298 -3.678 5.789 1.00 52.14 H new ATOM 0 HG3 ARG B 231 12.041 -4.774 7.132 1.00 52.14 H new ATOM 0 HD2 ARG B 231 11.730 -1.778 7.037 1.00 4.35 H new ATOM 0 HD3 ARG B 231 10.629 -2.983 7.674 1.00 4.35 H new ATOM 0 HE ARG B 231 13.203 -2.282 9.048 1.00 14.23 H new ATOM 0 HH11 ARG B 231 9.806 -3.107 9.157 1.00 74.53 H new ATOM 0 HH12 ARG B 231 9.708 -2.841 10.901 1.00 74.53 H new ATOM 0 HH21 ARG B 231 13.029 -1.916 11.206 1.00 33.10 H new ATOM 0 HH22 ARG B 231 11.490 -2.183 12.033 1.00 33.10 H new ATOM 1357 N VAL B 232 13.378 -6.209 4.991 1.00 33.12 N ATOM 1358 CA VAL B 232 12.604 -7.439 4.740 1.00 43.31 C ATOM 1359 C VAL B 232 13.508 -8.662 4.484 1.00 62.43 C ATOM 1360 O VAL B 232 14.599 -8.538 3.921 1.00 44.12 O ATOM 1361 CB VAL B 232 11.638 -7.281 3.534 1.00 44.40 C ATOM 1362 CG1 VAL B 232 10.688 -6.107 3.744 1.00 74.22 C ATOM 1363 CG2 VAL B 232 12.413 -7.128 2.227 1.00 73.03 C ATOM 0 H VAL B 232 13.298 -5.505 4.257 1.00 33.12 H new ATOM 0 HA VAL B 232 12.028 -7.607 5.650 1.00 43.31 H new ATOM 0 HB VAL B 232 11.039 -8.189 3.465 1.00 44.40 H new ATOM 0 HG11 VAL B 232 10.023 -6.019 2.885 1.00 74.22 H new ATOM 0 HG12 VAL B 232 10.097 -6.274 4.645 1.00 74.22 H new ATOM 0 HG13 VAL B 232 11.264 -5.188 3.853 1.00 74.22 H new ATOM 0 HG21 VAL B 232 11.712 -7.019 1.399 1.00 73.03 H new ATOM 0 HG22 VAL B 232 13.049 -6.245 2.282 1.00 73.03 H new ATOM 0 HG23 VAL B 232 13.031 -8.011 2.065 1.00 73.03 H new ATOM 1373 N PRO B 233 13.073 -9.864 4.910 1.00 34.42 N ATOM 1374 CA PRO B 233 13.795 -11.111 4.604 1.00 62.53 C ATOM 1375 C PRO B 233 13.800 -11.428 3.094 1.00 44.41 C ATOM 1376 O PRO B 233 12.779 -11.299 2.419 1.00 55.23 O ATOM 1377 CB PRO B 233 13.019 -12.180 5.395 1.00 2.54 C ATOM 1378 CG PRO B 233 11.666 -11.591 5.613 1.00 23.22 C ATOM 1379 CD PRO B 233 11.872 -10.106 5.732 1.00 50.03 C ATOM 0 HA PRO B 233 14.849 -11.054 4.877 1.00 62.53 H new ATOM 0 HB2 PRO B 233 12.957 -13.115 4.839 1.00 2.54 H new ATOM 0 HB3 PRO B 233 13.510 -12.404 6.342 1.00 2.54 H new ATOM 0 HG2 PRO B 233 11.000 -11.827 4.783 1.00 23.22 H new ATOM 0 HG3 PRO B 233 11.206 -11.994 6.515 1.00 23.22 H new ATOM 0 HD2 PRO B 233 11.011 -9.549 5.361 1.00 50.03 H new ATOM 0 HD3 PRO B 233 12.025 -9.803 6.768 1.00 50.03 H new ATOM 1387 N ALA B 234 14.953 -11.861 2.578 1.00 42.02 N ATOM 1388 CA ALA B 234 15.135 -12.093 1.135 1.00 3.44 C ATOM 1389 C ALA B 234 14.152 -13.135 0.565 1.00 32.40 C ATOM 1390 O ALA B 234 13.878 -13.148 -0.639 1.00 23.01 O ATOM 1391 CB ALA B 234 16.574 -12.523 0.859 1.00 25.31 C ATOM 0 H ALA B 234 15.782 -12.060 3.138 1.00 42.02 H new ATOM 0 HA ALA B 234 14.922 -11.151 0.630 1.00 3.44 H new ATOM 0 HB1 ALA B 234 16.704 -12.694 -0.210 1.00 25.31 H new ATOM 0 HB2 ALA B 234 17.257 -11.740 1.187 1.00 25.31 H new ATOM 0 HB3 ALA B 234 16.789 -13.443 1.402 1.00 25.31 H new ATOM 1397 N ASN B 235 13.632 -14.010 1.423 1.00 71.15 N ATOM 1398 CA ASN B 235 12.690 -15.054 0.993 1.00 35.02 C ATOM 1399 C ASN B 235 11.254 -14.514 0.843 1.00 31.12 C ATOM 1400 O ASN B 235 10.369 -15.211 0.340 1.00 2.13 O ATOM 1401 CB ASN B 235 12.701 -16.213 1.996 1.00 1.11 C ATOM 1402 CG ASN B 235 14.052 -16.898 2.086 1.00 50.22 C ATOM 1403 OD1 ASN B 235 14.799 -16.965 1.115 1.00 71.22 O ATOM 1404 ND2 ASN B 235 14.380 -17.415 3.252 1.00 62.22 N ATOM 0 H ASN B 235 13.844 -14.021 2.421 1.00 71.15 H new ATOM 0 HA ASN B 235 13.017 -15.405 0.014 1.00 35.02 H new ATOM 0 HB2 ASN B 235 12.422 -15.838 2.981 1.00 1.11 H new ATOM 0 HB3 ASN B 235 11.946 -16.944 1.708 1.00 1.11 H new ATOM 0 HD21 ASN B 235 15.277 -17.887 3.366 1.00 62.22 H new ATOM 0 HD22 ASN B 235 13.737 -17.343 4.041 1.00 62.22 H new ATOM 1411 N THR B 236 11.026 -13.277 1.275 1.00 70.13 N ATOM 1412 CA THR B 236 9.684 -12.679 1.228 1.00 2.14 C ATOM 1413 C THR B 236 9.573 -11.613 0.132 1.00 0.12 C ATOM 1414 O THR B 236 10.278 -10.606 0.161 1.00 13.32 O ATOM 1415 CB THR B 236 9.302 -12.033 2.582 1.00 71.04 C ATOM 1416 OG1 THR B 236 9.386 -13.009 3.633 1.00 64.35 O ATOM 1417 CG2 THR B 236 7.887 -11.459 2.538 1.00 53.01 C ATOM 0 H THR B 236 11.746 -12.667 1.661 1.00 70.13 H new ATOM 0 HA THR B 236 8.997 -13.496 1.006 1.00 2.14 H new ATOM 0 HB THR B 236 10.002 -11.220 2.776 1.00 71.04 H new ATOM 0 HG1 THR B 236 8.995 -12.641 4.453 1.00 64.35 H new ATOM 0 HG21 THR B 236 7.646 -11.012 3.502 1.00 53.01 H new ATOM 0 HG22 THR B 236 7.827 -10.698 1.760 1.00 53.01 H new ATOM 0 HG23 THR B 236 7.177 -12.257 2.320 1.00 53.01 H new ATOM 1425 N SER B 237 8.680 -11.836 -0.831 1.00 63.11 N ATOM 1426 CA SER B 237 8.445 -10.867 -1.914 1.00 54.51 C ATOM 1427 C SER B 237 7.782 -9.583 -1.395 1.00 43.43 C ATOM 1428 O SER B 237 6.839 -9.632 -0.602 1.00 30.52 O ATOM 1429 CB SER B 237 7.570 -11.484 -3.012 1.00 3.04 C ATOM 1430 OG SER B 237 8.239 -12.548 -3.675 1.00 12.31 O ATOM 0 H SER B 237 8.105 -12.677 -0.888 1.00 63.11 H new ATOM 0 HA SER B 237 9.420 -10.608 -2.328 1.00 54.51 H new ATOM 0 HB2 SER B 237 6.642 -11.853 -2.575 1.00 3.04 H new ATOM 0 HB3 SER B 237 7.298 -10.716 -3.736 1.00 3.04 H new ATOM 0 HG SER B 237 7.654 -12.921 -4.368 1.00 12.31 H new ATOM 1436 N MET B 238 8.269 -8.437 -1.871 1.00 20.32 N ATOM 1437 CA MET B 238 7.735 -7.128 -1.464 1.00 50.33 C ATOM 1438 C MET B 238 6.239 -6.995 -1.794 1.00 3.33 C ATOM 1439 O MET B 238 5.466 -6.444 -1.007 1.00 61.54 O ATOM 1440 CB MET B 238 8.522 -6.001 -2.143 1.00 13.03 C ATOM 1441 CG MET B 238 10.010 -6.001 -1.810 1.00 54.21 C ATOM 1442 SD MET B 238 10.912 -4.683 -2.651 1.00 23.11 S ATOM 1443 CE MET B 238 10.618 -5.104 -4.370 1.00 11.24 C ATOM 0 H MET B 238 9.036 -8.384 -2.542 1.00 20.32 H new ATOM 0 HA MET B 238 7.847 -7.049 -0.383 1.00 50.33 H new ATOM 0 HB2 MET B 238 8.401 -6.086 -3.223 1.00 13.03 H new ATOM 0 HB3 MET B 238 8.093 -5.043 -1.849 1.00 13.03 H new ATOM 0 HG2 MET B 238 10.137 -5.893 -0.733 1.00 54.21 H new ATOM 0 HG3 MET B 238 10.440 -6.964 -2.086 1.00 54.21 H new ATOM 0 HE1 MET B 238 11.371 -4.625 -4.996 1.00 11.24 H new ATOM 0 HE2 MET B 238 10.676 -6.185 -4.495 1.00 11.24 H new ATOM 0 HE3 MET B 238 9.627 -4.758 -4.665 1.00 11.24 H new ATOM 1453 N SER B 239 5.839 -7.513 -2.955 1.00 30.44 N ATOM 1454 CA SER B 239 4.432 -7.477 -3.389 1.00 35.12 C ATOM 1455 C SER B 239 3.496 -8.081 -2.330 1.00 75.44 C ATOM 1456 O SER B 239 2.535 -7.445 -1.893 1.00 51.11 O ATOM 1457 CB SER B 239 4.268 -8.237 -4.713 1.00 41.43 C ATOM 1458 OG SER B 239 4.663 -9.595 -4.571 1.00 1.23 O ATOM 0 H SER B 239 6.468 -7.966 -3.618 1.00 30.44 H new ATOM 0 HA SER B 239 4.158 -6.431 -3.528 1.00 35.12 H new ATOM 0 HB2 SER B 239 3.229 -8.189 -5.038 1.00 41.43 H new ATOM 0 HB3 SER B 239 4.867 -7.759 -5.488 1.00 41.43 H new ATOM 0 HG SER B 239 4.548 -10.060 -5.426 1.00 1.23 H new ATOM 1464 N ALA B 240 3.783 -9.317 -1.927 1.00 3.10 N ATOM 1465 CA ALA B 240 3.009 -9.998 -0.882 1.00 21.51 C ATOM 1466 C ALA B 240 3.243 -9.371 0.502 1.00 43.24 C ATOM 1467 O ALA B 240 2.361 -9.396 1.363 1.00 52.44 O ATOM 1468 CB ALA B 240 3.359 -11.480 -0.855 1.00 30.22 C ATOM 0 H ALA B 240 4.549 -9.873 -2.308 1.00 3.10 H new ATOM 0 HA ALA B 240 1.952 -9.880 -1.122 1.00 21.51 H new ATOM 0 HB1 ALA B 240 2.780 -11.977 -0.077 1.00 30.22 H new ATOM 0 HB2 ALA B 240 3.126 -11.927 -1.822 1.00 30.22 H new ATOM 0 HB3 ALA B 240 4.422 -11.599 -0.648 1.00 30.22 H new ATOM 1474 N TYR B 241 4.433 -8.812 0.712 1.00 53.21 N ATOM 1475 CA TYR B 241 4.782 -8.189 1.996 1.00 53.31 C ATOM 1476 C TYR B 241 3.893 -6.967 2.285 1.00 54.33 C ATOM 1477 O TYR B 241 3.383 -6.810 3.394 1.00 44.11 O ATOM 1478 CB TYR B 241 6.262 -7.783 2.007 1.00 73.41 C ATOM 1479 CG TYR B 241 6.818 -7.525 3.400 1.00 14.10 C ATOM 1480 CD1 TYR B 241 7.103 -8.585 4.254 1.00 41.44 C ATOM 1481 CD2 TYR B 241 7.063 -6.233 3.859 1.00 74.31 C ATOM 1482 CE1 TYR B 241 7.613 -8.372 5.518 1.00 20.31 C ATOM 1483 CE2 TYR B 241 7.579 -6.012 5.127 1.00 71.24 C ATOM 1484 CZ TYR B 241 7.852 -7.086 5.949 1.00 53.31 C ATOM 1485 OH TYR B 241 8.368 -6.878 7.209 1.00 74.41 O ATOM 0 H TYR B 241 5.175 -8.775 0.013 1.00 53.21 H new ATOM 0 HA TYR B 241 4.609 -8.924 2.782 1.00 53.31 H new ATOM 0 HB2 TYR B 241 6.848 -8.569 1.532 1.00 73.41 H new ATOM 0 HB3 TYR B 241 6.387 -6.884 1.404 1.00 73.41 H new ATOM 0 HD1 TYR B 241 6.921 -9.596 3.921 1.00 41.44 H new ATOM 0 HD2 TYR B 241 6.848 -5.391 3.218 1.00 74.31 H new ATOM 0 HE1 TYR B 241 7.824 -9.210 6.166 1.00 20.31 H new ATOM 0 HE2 TYR B 241 7.766 -5.005 5.469 1.00 71.24 H new ATOM 0 HH TYR B 241 8.480 -5.917 7.362 1.00 74.41 H new ATOM 1495 N ILE B 242 3.698 -6.111 1.282 1.00 20.02 N ATOM 1496 CA ILE B 242 2.817 -4.944 1.429 1.00 13.51 C ATOM 1497 C ILE B 242 1.384 -5.374 1.793 1.00 31.03 C ATOM 1498 O ILE B 242 0.711 -4.717 2.593 1.00 33.32 O ATOM 1499 CB ILE B 242 2.783 -4.080 0.140 1.00 24.54 C ATOM 1500 CG1 ILE B 242 4.192 -3.562 -0.201 1.00 34.12 C ATOM 1501 CG2 ILE B 242 1.805 -2.910 0.297 1.00 2.01 C ATOM 1502 CD1 ILE B 242 4.778 -2.656 0.861 1.00 12.25 C ATOM 0 H ILE B 242 4.133 -6.199 0.364 1.00 20.02 H new ATOM 0 HA ILE B 242 3.229 -4.341 2.239 1.00 13.51 H new ATOM 0 HB ILE B 242 2.437 -4.707 -0.682 1.00 24.54 H new ATOM 0 HG12 ILE B 242 4.857 -4.413 -0.348 1.00 34.12 H new ATOM 0 HG13 ILE B 242 4.152 -3.021 -1.147 1.00 34.12 H new ATOM 0 HG21 ILE B 242 1.797 -2.317 -0.618 1.00 2.01 H new ATOM 0 HG22 ILE B 242 0.804 -3.296 0.488 1.00 2.01 H new ATOM 0 HG23 ILE B 242 2.118 -2.284 1.132 1.00 2.01 H new ATOM 0 HD11 ILE B 242 5.771 -2.330 0.553 1.00 12.25 H new ATOM 0 HD12 ILE B 242 4.135 -1.786 0.992 1.00 12.25 H new ATOM 0 HD13 ILE B 242 4.850 -3.199 1.803 1.00 12.25 H new ATOM 1514 N ARG B 243 0.932 -6.492 1.217 1.00 22.24 N ATOM 1515 CA ARG B 243 -0.398 -7.036 1.522 1.00 11.32 C ATOM 1516 C ARG B 243 -0.585 -7.219 3.037 1.00 70.40 C ATOM 1517 O ARG B 243 -1.504 -6.665 3.629 1.00 31.05 O ATOM 1518 CB ARG B 243 -0.616 -8.385 0.816 1.00 71.34 C ATOM 1519 CG ARG B 243 -1.987 -9.011 1.095 1.00 13.42 C ATOM 1520 CD ARG B 243 -2.068 -10.469 0.645 1.00 35.33 C ATOM 1521 NE ARG B 243 -1.899 -10.626 -0.799 1.00 73.12 N ATOM 1522 CZ ARG B 243 -2.376 -11.634 -1.483 1.00 61.34 C ATOM 1523 NH1 ARG B 243 -3.091 -12.553 -0.910 1.00 13.00 N ATOM 1524 NH2 ARG B 243 -2.141 -11.727 -2.750 1.00 61.10 N ATOM 0 H ARG B 243 1.464 -7.038 0.539 1.00 22.24 H new ATOM 0 HA ARG B 243 -1.133 -6.319 1.157 1.00 11.32 H new ATOM 0 HB2 ARG B 243 -0.502 -8.245 -0.259 1.00 71.34 H new ATOM 0 HB3 ARG B 243 0.162 -9.080 1.131 1.00 71.34 H new ATOM 0 HG2 ARG B 243 -2.199 -8.951 2.162 1.00 13.42 H new ATOM 0 HG3 ARG B 243 -2.757 -8.433 0.584 1.00 13.42 H new ATOM 0 HD2 ARG B 243 -1.301 -11.047 1.161 1.00 35.33 H new ATOM 0 HD3 ARG B 243 -3.032 -10.883 0.941 1.00 35.33 H new ATOM 0 HE ARG B 243 -1.379 -9.907 -1.302 1.00 73.12 H new ATOM 0 HH11 ARG B 243 -3.289 -12.496 0.089 1.00 13.00 H new ATOM 0 HH12 ARG B 243 -3.455 -13.332 -1.459 1.00 13.00 H new ATOM 0 HH21 ARG B 243 -1.583 -11.014 -3.219 1.00 61.10 H new ATOM 0 HH22 ARG B 243 -2.514 -12.514 -3.281 1.00 61.10 H new ATOM 1538 N ARG B 244 0.315 -7.981 3.660 1.00 1.14 N ATOM 1539 CA ARG B 244 0.218 -8.285 5.097 1.00 70.53 C ATOM 1540 C ARG B 244 0.478 -7.050 5.988 1.00 2.15 C ATOM 1541 O ARG B 244 0.353 -7.122 7.210 1.00 70.12 O ATOM 1542 CB ARG B 244 1.190 -9.419 5.460 1.00 72.21 C ATOM 1543 CG ARG B 244 2.649 -9.114 5.135 1.00 72.41 C ATOM 1544 CD ARG B 244 3.569 -10.282 5.472 1.00 73.52 C ATOM 1545 NE ARG B 244 3.607 -10.557 6.906 1.00 65.45 N ATOM 1546 CZ ARG B 244 4.183 -11.599 7.439 1.00 32.31 C ATOM 1547 NH1 ARG B 244 4.767 -12.491 6.700 1.00 13.10 N ATOM 1548 NH2 ARG B 244 4.181 -11.749 8.721 1.00 72.03 N ATOM 0 H ARG B 244 1.121 -8.401 3.196 1.00 1.14 H new ATOM 0 HA ARG B 244 -0.807 -8.602 5.290 1.00 70.53 H new ATOM 0 HB2 ARG B 244 1.103 -9.631 6.526 1.00 72.21 H new ATOM 0 HB3 ARG B 244 0.892 -10.323 4.929 1.00 72.21 H new ATOM 0 HG2 ARG B 244 2.741 -8.875 4.076 1.00 72.41 H new ATOM 0 HG3 ARG B 244 2.967 -8.231 5.690 1.00 72.41 H new ATOM 0 HD2 ARG B 244 3.232 -11.173 4.942 1.00 73.52 H new ATOM 0 HD3 ARG B 244 4.577 -10.063 5.119 1.00 73.52 H new ATOM 0 HE ARG B 244 3.154 -9.891 7.531 1.00 65.45 H new ATOM 0 HH11 ARG B 244 4.781 -12.384 5.686 1.00 13.10 H new ATOM 0 HH12 ARG B 244 5.213 -13.300 7.133 1.00 13.10 H new ATOM 0 HH21 ARG B 244 3.730 -11.054 9.315 1.00 72.03 H new ATOM 0 HH22 ARG B 244 4.631 -12.563 9.140 1.00 72.03 H new ATOM 1562 N ILE B 245 0.849 -5.924 5.379 1.00 2.22 N ATOM 1563 CA ILE B 245 1.013 -4.664 6.118 1.00 21.53 C ATOM 1564 C ILE B 245 -0.307 -3.874 6.160 1.00 73.42 C ATOM 1565 O ILE B 245 -0.757 -3.438 7.224 1.00 33.04 O ATOM 1566 CB ILE B 245 2.121 -3.776 5.490 1.00 33.23 C ATOM 1567 CG1 ILE B 245 3.482 -4.488 5.549 1.00 74.04 C ATOM 1568 CG2 ILE B 245 2.196 -2.415 6.192 1.00 4.11 C ATOM 1569 CD1 ILE B 245 4.611 -3.715 4.894 1.00 54.44 C ATOM 0 H ILE B 245 1.042 -5.854 4.380 1.00 2.22 H new ATOM 0 HA ILE B 245 1.308 -4.927 7.134 1.00 21.53 H new ATOM 0 HB ILE B 245 1.865 -3.605 4.444 1.00 33.23 H new ATOM 0 HG12 ILE B 245 3.739 -4.673 6.592 1.00 74.04 H new ATOM 0 HG13 ILE B 245 3.393 -5.461 5.066 1.00 74.04 H new ATOM 0 HG21 ILE B 245 2.980 -1.812 5.734 1.00 4.11 H new ATOM 0 HG22 ILE B 245 1.239 -1.902 6.094 1.00 4.11 H new ATOM 0 HG23 ILE B 245 2.422 -2.562 7.248 1.00 4.11 H new ATOM 0 HD11 ILE B 245 5.537 -4.283 4.977 1.00 54.44 H new ATOM 0 HD12 ILE B 245 4.378 -3.553 3.842 1.00 54.44 H new ATOM 0 HD13 ILE B 245 4.730 -2.753 5.392 1.00 54.44 H new ATOM 1581 N ILE B 246 -0.926 -3.696 4.994 1.00 22.33 N ATOM 1582 CA ILE B 246 -2.186 -2.950 4.894 1.00 52.41 C ATOM 1583 C ILE B 246 -3.395 -3.810 5.308 1.00 61.44 C ATOM 1584 O ILE B 246 -4.385 -3.293 5.828 1.00 71.20 O ATOM 1585 CB ILE B 246 -2.407 -2.405 3.458 1.00 5.42 C ATOM 1586 CG1 ILE B 246 -2.456 -3.555 2.436 1.00 14.02 C ATOM 1587 CG2 ILE B 246 -1.310 -1.402 3.096 1.00 4.14 C ATOM 1588 CD1 ILE B 246 -2.721 -3.107 1.010 1.00 31.21 C ATOM 0 H ILE B 246 -0.579 -4.056 4.105 1.00 22.33 H new ATOM 0 HA ILE B 246 -2.105 -2.111 5.585 1.00 52.41 H new ATOM 0 HB ILE B 246 -3.368 -1.891 3.429 1.00 5.42 H new ATOM 0 HG12 ILE B 246 -1.509 -4.094 2.466 1.00 14.02 H new ATOM 0 HG13 ILE B 246 -3.233 -4.259 2.734 1.00 14.02 H new ATOM 0 HG21 ILE B 246 -1.478 -1.028 2.086 1.00 4.14 H new ATOM 0 HG22 ILE B 246 -1.332 -0.570 3.799 1.00 4.14 H new ATOM 0 HG23 ILE B 246 -0.338 -1.893 3.144 1.00 4.14 H new ATOM 0 HD11 ILE B 246 -2.740 -3.977 0.353 1.00 31.21 H new ATOM 0 HD12 ILE B 246 -3.682 -2.595 0.962 1.00 31.21 H new ATOM 0 HD13 ILE B 246 -1.931 -2.427 0.689 1.00 31.21 H new ATOM 1600 N LEU B 247 -3.295 -5.121 5.087 1.00 22.35 N ATOM 1601 CA LEU B 247 -4.378 -6.065 5.409 1.00 14.50 C ATOM 1602 C LEU B 247 -4.757 -6.006 6.898 1.00 24.14 C ATOM 1603 O LEU B 247 -5.931 -5.883 7.252 1.00 2.41 O ATOM 1604 CB LEU B 247 -3.955 -7.494 5.035 1.00 12.14 C ATOM 1605 CG LEU B 247 -5.034 -8.573 5.214 1.00 42.34 C ATOM 1606 CD1 LEU B 247 -6.243 -8.279 4.333 1.00 2.23 C ATOM 1607 CD2 LEU B 247 -4.469 -9.958 4.911 1.00 1.41 C ATOM 0 H LEU B 247 -2.469 -5.561 4.683 1.00 22.35 H new ATOM 0 HA LEU B 247 -5.255 -5.778 4.828 1.00 14.50 H new ATOM 0 HB2 LEU B 247 -3.632 -7.498 3.994 1.00 12.14 H new ATOM 0 HB3 LEU B 247 -3.089 -7.767 5.638 1.00 12.14 H new ATOM 0 HG LEU B 247 -5.360 -8.559 6.254 1.00 42.34 H new ATOM 0 HD11 LEU B 247 -6.995 -9.055 4.476 1.00 2.23 H new ATOM 0 HD12 LEU B 247 -6.665 -7.311 4.605 1.00 2.23 H new ATOM 0 HD13 LEU B 247 -5.935 -8.260 3.288 1.00 2.23 H new ATOM 0 HD21 LEU B 247 -5.250 -10.707 5.044 1.00 1.41 H new ATOM 0 HD22 LEU B 247 -4.110 -9.987 3.882 1.00 1.41 H new ATOM 0 HD23 LEU B 247 -3.643 -10.171 5.590 1.00 1.41 H new ATOM 1619 N ASN B 248 -3.750 -6.084 7.765 1.00 43.23 N ATOM 1620 CA ASN B 248 -3.961 -6.017 9.216 1.00 22.22 C ATOM 1621 C ASN B 248 -4.754 -4.765 9.626 1.00 51.43 C ATOM 1622 O ASN B 248 -5.486 -4.783 10.615 1.00 1.34 O ATOM 1623 CB ASN B 248 -2.611 -6.036 9.947 1.00 4.13 C ATOM 1624 CG ASN B 248 -1.836 -7.320 9.709 1.00 4.45 C ATOM 1625 OD1 ASN B 248 -1.976 -7.967 8.678 1.00 5.32 O ATOM 1626 ND2 ASN B 248 -1.008 -7.699 10.662 1.00 72.03 N ATOM 0 H ASN B 248 -2.774 -6.194 7.490 1.00 43.23 H new ATOM 0 HA ASN B 248 -4.547 -6.891 9.500 1.00 22.22 H new ATOM 0 HB2 ASN B 248 -2.011 -5.188 9.617 1.00 4.13 H new ATOM 0 HB3 ASN B 248 -2.779 -5.911 11.017 1.00 4.13 H new ATOM 0 HD21 ASN B 248 -0.461 -8.553 10.553 1.00 72.03 H new ATOM 0 HD22 ASN B 248 -0.914 -7.138 11.509 1.00 72.03 H new ATOM 1633 N HIS B 249 -4.630 -3.689 8.845 1.00 51.25 N ATOM 1634 CA HIS B 249 -5.295 -2.425 9.166 1.00 5.44 C ATOM 1635 C HIS B 249 -6.829 -2.569 9.148 1.00 12.13 C ATOM 1636 O HIS B 249 -7.527 -1.847 9.854 1.00 25.23 O ATOM 1637 CB HIS B 249 -4.852 -1.319 8.196 1.00 34.43 C ATOM 1638 CG HIS B 249 -5.194 0.065 8.666 1.00 62.22 C ATOM 1639 ND1 HIS B 249 -4.322 0.847 9.393 1.00 13.13 N ATOM 1640 CD2 HIS B 249 -6.316 0.809 8.508 1.00 55.10 C ATOM 1641 CE1 HIS B 249 -4.890 2.004 9.664 1.00 72.23 C ATOM 1642 NE2 HIS B 249 -6.097 2.009 9.139 1.00 4.50 N ATOM 0 H HIS B 249 -4.077 -3.668 7.988 1.00 51.25 H new ATOM 0 HA HIS B 249 -4.998 -2.147 10.177 1.00 5.44 H new ATOM 0 HB2 HIS B 249 -3.774 -1.387 8.048 1.00 34.43 H new ATOM 0 HB3 HIS B 249 -5.319 -1.490 7.226 1.00 34.43 H new ATOM 0 HD2 HIS B 249 -7.213 0.514 7.984 1.00 55.10 H new ATOM 0 HE1 HIS B 249 -4.441 2.812 10.223 1.00 72.23 H new ATOM 0 HE2 HIS B 249 -6.763 2.780 9.192 1.00 4.50 H new ATOM 1651 N LEU B 250 -7.343 -3.508 8.354 1.00 43.42 N ATOM 1652 CA LEU B 250 -8.794 -3.743 8.269 1.00 73.01 C ATOM 1653 C LEU B 250 -9.375 -4.198 9.618 1.00 3.43 C ATOM 1654 O LEU B 250 -10.548 -3.960 9.913 1.00 42.41 O ATOM 1655 CB LEU B 250 -9.116 -4.782 7.179 1.00 22.52 C ATOM 1656 CG LEU B 250 -9.026 -4.285 5.721 1.00 13.34 C ATOM 1657 CD1 LEU B 250 -9.999 -3.135 5.473 1.00 51.11 C ATOM 1658 CD2 LEU B 250 -7.598 -3.875 5.360 1.00 25.42 C ATOM 0 H LEU B 250 -6.783 -4.119 7.760 1.00 43.42 H new ATOM 0 HA LEU B 250 -9.260 -2.794 8.003 1.00 73.01 H new ATOM 0 HB2 LEU B 250 -8.435 -5.625 7.297 1.00 22.52 H new ATOM 0 HB3 LEU B 250 -10.124 -5.159 7.351 1.00 22.52 H new ATOM 0 HG LEU B 250 -9.309 -5.115 5.073 1.00 13.34 H new ATOM 0 HD11 LEU B 250 -9.915 -2.804 4.438 1.00 51.11 H new ATOM 0 HD12 LEU B 250 -11.018 -3.473 5.664 1.00 51.11 H new ATOM 0 HD13 LEU B 250 -9.760 -2.306 6.139 1.00 51.11 H new ATOM 0 HD21 LEU B 250 -7.569 -3.530 4.327 1.00 25.42 H new ATOM 0 HD22 LEU B 250 -7.272 -3.071 6.020 1.00 25.42 H new ATOM 0 HD23 LEU B 250 -6.933 -4.731 5.475 1.00 25.42 H new ATOM 1670 N GLU B 251 -8.550 -4.853 10.433 1.00 33.21 N ATOM 1671 CA GLU B 251 -8.966 -5.287 11.776 1.00 53.22 C ATOM 1672 C GLU B 251 -8.204 -4.524 12.875 1.00 43.33 C ATOM 1673 O GLU B 251 -8.435 -4.733 14.067 1.00 1.32 O ATOM 1674 CB GLU B 251 -8.769 -6.803 11.931 1.00 54.35 C ATOM 1675 CG GLU B 251 -7.331 -7.274 11.731 1.00 33.31 C ATOM 1676 CD GLU B 251 -7.202 -8.791 11.783 1.00 55.52 C ATOM 1677 OE1 GLU B 251 -7.352 -9.371 12.876 1.00 64.44 O ATOM 1678 OE2 GLU B 251 -6.970 -9.417 10.726 1.00 23.40 O ATOM 0 H GLU B 251 -7.589 -5.097 10.192 1.00 33.21 H new ATOM 0 HA GLU B 251 -10.025 -5.058 11.891 1.00 53.22 H new ATOM 0 HB2 GLU B 251 -9.101 -7.101 12.925 1.00 54.35 H new ATOM 0 HB3 GLU B 251 -9.410 -7.316 11.214 1.00 54.35 H new ATOM 0 HG2 GLU B 251 -6.964 -6.914 10.770 1.00 33.31 H new ATOM 0 HG3 GLU B 251 -6.697 -6.832 12.500 1.00 33.31 H new ATOM 1685 N ASP B 252 -7.293 -3.642 12.462 1.00 64.34 N ATOM 1686 CA ASP B 252 -6.538 -2.796 13.395 1.00 54.33 C ATOM 1687 C ASP B 252 -7.245 -1.444 13.619 1.00 5.12 C ATOM 1688 O ASP B 252 -7.243 -0.907 14.731 1.00 74.45 O ATOM 1689 CB ASP B 252 -5.118 -2.578 12.856 1.00 54.30 C ATOM 1690 CG ASP B 252 -4.264 -1.721 13.773 1.00 74.42 C ATOM 1691 OD1 ASP B 252 -3.973 -2.157 14.904 1.00 33.42 O ATOM 1692 OD2 ASP B 252 -3.869 -0.609 13.363 1.00 62.42 O ATOM 0 H ASP B 252 -7.057 -3.492 11.481 1.00 64.34 H new ATOM 0 HA ASP B 252 -6.484 -3.303 14.358 1.00 54.33 H new ATOM 0 HB2 ASP B 252 -4.635 -3.545 12.717 1.00 54.30 H new ATOM 0 HB3 ASP B 252 -5.175 -2.106 11.875 1.00 54.30 H new ATOM 1697 N GLU B 253 -7.842 -0.904 12.555 1.00 51.22 N ATOM 1698 CA GLU B 253 -8.586 0.365 12.626 1.00 41.32 C ATOM 1699 C GLU B 253 -9.444 0.556 11.357 1.00 53.01 C ATOM 1700 O GLU B 253 -8.937 1.127 10.361 1.00 37.73 O ATOM 1701 CB GLU B 253 -7.611 1.550 12.814 1.00 54.03 C ATOM 1702 CG GLU B 253 -8.223 2.791 13.476 1.00 25.10 C ATOM 1703 CD GLU B 253 -9.136 3.606 12.564 1.00 22.13 C ATOM 1704 OE1 GLU B 253 -8.625 4.491 11.836 1.00 11.23 O ATOM 1705 OE2 GLU B 253 -10.365 3.384 12.582 1.00 21.10 O ATOM 1706 OXT GLU B 253 -10.619 0.121 11.354 1.00 37.73 O ATOM 0 H GLU B 253 -7.827 -1.325 11.626 1.00 51.22 H new ATOM 0 HA GLU B 253 -9.253 0.332 13.487 1.00 41.32 H new ATOM 0 HB2 GLU B 253 -6.766 1.215 13.416 1.00 54.03 H new ATOM 0 HB3 GLU B 253 -7.215 1.834 11.839 1.00 54.03 H new ATOM 0 HG2 GLU B 253 -8.791 2.478 14.352 1.00 25.10 H new ATOM 0 HG3 GLU B 253 -7.417 3.433 13.831 1.00 25.10 H new