USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1204 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: C 245 ASN :FLIP amide:sc= 0.724 F(o=-0.95,f=1.6) USER MOD Set 1.2: C 246 ASN :FLIP amide:sc= 0.878 F(o=-0.054,f=1.6) USER MOD Set 2.1: A 68 LYS NZ :NH3+ -175:sc= 0.086 (180deg=-0.378) USER MOD Set 2.2: C 230 ASN : amide:sc= -0.388 K(o=-0.3,f=-7.6!) USER MOD Set 3.1: C 227 LYS NZ :NH3+ -143:sc= -1.39 (180deg=-3.02!) USER MOD Set 3.2: C 248 GLN : amide:sc= -1.3 K(o=-2.7,f=-9.1!) USER MOD Set 4.1: B 107 TYR OH : rot 89:sc= 1.89 USER MOD Set 4.2: C 261 TYR OH : rot 79:sc= 0.236 USER MOD Set 5.1: A 61 TYR OH : rot 109:sc= 1.88 USER MOD Set 5.2: D 307 TYR OH : rot 86:sc= 1.34 USER MOD Set 6.1: A 27 LYS NZ :NH3+ -133:sc= -0.376 (180deg=-2.01!) USER MOD Set 6.2: A 48 GLN : amide:sc= -0.806 K(o=-1.2,f=-3.5!) USER MOD Set 7.1: A 22 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.44) USER MOD Set 7.2: A 46 ASN : amide:sc= 0.00245 K(o=-0.29,f=-0.8) USER MOD Set 8.1: A 30 ASN : amide:sc= 0.665 K(o=1.8,f=-2.6) USER MOD Set 8.2: C 268 LYS NZ :NH3+ 142:sc= 1.09 (180deg=0) USER MOD Single : A 16 SER OG : rot 134:sc= 1.4 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.271 F(o=-0.98,f=-0.27) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.47 X(o=-0.47,f=-0.92) USER MOD Single : A 31 THR OG1 : rot 128:sc= -0.712 USER MOD Single : A 33 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.2) USER MOD Single : A 37 GLN : amide:sc= -4.44! C(o=-4.4!,f=-8.8!) USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= 0.252 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.39) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.01) USER MOD Single : A 67 ASN : amide:sc= -0.337 K(o=-0.34,f=-3!) USER MOD Single : B 108 THR OG1 : rot 180:sc= -0.127 USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 111 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.6!) USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot 113:sc= 1.22 USER MOD Single : B 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 125 LYS NZ :NH3+ -167:sc= -0.0308 (180deg=-0.343) USER MOD Single : C 216 SER OG : rot 91:sc= 1.29 USER MOD Single : C 217 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : C 222 ASN :FLIP amide:sc= -0.462 F(o=-2.4!,f=-0.46) USER MOD Single : C 224 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.19) USER MOD Single : C 225 HIS : no HE2:sc= -0.732 K(o=-0.73,f=-8.8!) USER MOD Single : C 231 THR OG1 : rot 180:sc= 0 USER MOD Single : C 233 ASN :FLIP amide:sc= -0.204 F(o=-0.92,f=-0.2) USER MOD Single : C 237 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD Single : C 243 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.15) USER MOD Single : C 244 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : C 254 LYS NZ :NH3+ 154:sc= 1.21 (180deg=1.19) USER MOD Single : C 256 LYS NZ :NH3+ -125:sc= 0.488 (180deg=-0.736!) USER MOD Single : C 259 GLN :FLIP amide:sc= -0.494 F(o=-1.8!,f=-0.49) USER MOD Single : C 264 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 267 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : D 308 THR OG1 : rot -138:sc= -2.12! USER MOD Single : D 309 SER OG : rot -3:sc= 0.473 USER MOD Single : D 311 ASN : amide:sc= 0 X(o=0,f=0.001) USER MOD Single : D 321 TYR OH : rot 180:sc= 0 USER MOD Single : D 323 SER OG : rot 180:sc= 0 USER MOD Single : D 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N CYS A 9 -8.471 -7.440 14.541 1.00 72.25 N ATOM 140 CA CYS A 9 -7.668 -7.521 13.350 1.00 50.31 C ATOM 141 C CYS A 9 -8.505 -8.072 12.195 1.00 11.35 C ATOM 142 O CYS A 9 -9.245 -9.044 12.372 1.00 25.43 O ATOM 143 CB CYS A 9 -6.418 -8.375 13.586 1.00 74.21 C ATOM 144 SG CYS A 9 -5.329 -7.731 14.891 1.00 72.21 S ATOM 0 HA CYS A 9 -7.331 -6.519 13.086 1.00 50.31 H new ATOM 0 HB2 CYS A 9 -6.725 -9.388 13.848 1.00 74.21 H new ATOM 0 HB3 CYS A 9 -5.854 -8.443 12.656 1.00 74.21 H new ATOM 149 N PRO A 10 -8.421 -7.430 11.016 1.00 45.13 N ATOM 150 CA PRO A 10 -9.162 -7.827 9.810 1.00 24.52 C ATOM 151 C PRO A 10 -8.865 -9.262 9.373 1.00 50.23 C ATOM 152 O PRO A 10 -9.777 -9.981 8.940 1.00 21.41 O ATOM 153 CB PRO A 10 -8.701 -6.806 8.773 1.00 24.34 C ATOM 154 CG PRO A 10 -7.440 -6.273 9.295 1.00 52.55 C ATOM 155 CD PRO A 10 -7.605 -6.247 10.765 1.00 41.52 C ATOM 0 HA PRO A 10 -10.241 -7.828 9.966 1.00 24.52 H new ATOM 0 HB2 PRO A 10 -8.558 -7.272 7.798 1.00 24.34 H new ATOM 0 HB3 PRO A 10 -9.440 -6.015 8.643 1.00 24.34 H new ATOM 0 HG2 PRO A 10 -6.598 -6.901 9.005 1.00 52.55 H new ATOM 0 HG3 PRO A 10 -7.243 -5.275 8.904 1.00 52.55 H new ATOM 0 HD2 PRO A 10 -6.646 -6.299 11.281 1.00 41.52 H new ATOM 0 HD3 PRO A 10 -8.099 -5.335 11.101 1.00 41.52 H new ATOM 163 N CYS A 11 -7.609 -9.691 9.505 1.00 5.11 N ATOM 164 CA CYS A 11 -7.271 -11.074 9.222 1.00 14.44 C ATOM 165 C CYS A 11 -7.841 -11.974 10.309 1.00 34.41 C ATOM 166 O CYS A 11 -7.277 -12.056 11.398 1.00 62.24 O ATOM 167 CB CYS A 11 -5.733 -11.333 9.193 1.00 35.34 C ATOM 168 SG CYS A 11 -4.700 -10.540 7.885 1.00 15.33 S ATOM 0 H CYS A 11 -6.826 -9.108 9.801 1.00 5.11 H new ATOM 0 HA CYS A 11 -7.689 -11.290 8.239 1.00 14.44 H new ATOM 0 HB2 CYS A 11 -5.332 -11.023 10.158 1.00 35.34 H new ATOM 0 HB3 CYS A 11 -5.585 -12.410 9.117 1.00 35.34 H new ATOM 173 N ARG A 12 -8.982 -12.599 10.060 1.00 11.42 N ATOM 174 CA ARG A 12 -9.447 -13.620 10.980 1.00 71.33 C ATOM 175 C ARG A 12 -8.634 -14.843 10.649 1.00 53.10 C ATOM 176 O ARG A 12 -8.240 -15.622 11.510 1.00 74.53 O ATOM 177 CB ARG A 12 -10.947 -13.904 10.830 1.00 23.52 C ATOM 178 CG ARG A 12 -11.458 -14.956 11.811 1.00 73.05 C ATOM 179 CD ARG A 12 -12.948 -15.201 11.662 1.00 24.03 C ATOM 180 NE ARG A 12 -13.746 -13.998 11.940 1.00 42.20 N ATOM 181 CZ ARG A 12 -15.082 -13.983 12.026 1.00 52.21 C ATOM 182 NH1 ARG A 12 -15.773 -15.121 11.912 1.00 34.22 N ATOM 183 NH2 ARG A 12 -15.721 -12.841 12.238 1.00 24.32 N ATOM 0 H ARG A 12 -9.584 -12.424 9.256 1.00 11.42 H new ATOM 0 HA ARG A 12 -9.320 -13.301 12.014 1.00 71.33 H new ATOM 0 HB2 ARG A 12 -11.503 -12.978 10.978 1.00 23.52 H new ATOM 0 HB3 ARG A 12 -11.148 -14.237 9.812 1.00 23.52 H new ATOM 0 HG2 ARG A 12 -10.920 -15.891 11.652 1.00 73.05 H new ATOM 0 HG3 ARG A 12 -11.244 -14.634 12.830 1.00 73.05 H new ATOM 0 HD2 ARG A 12 -13.157 -15.546 10.649 1.00 24.03 H new ATOM 0 HD3 ARG A 12 -13.251 -15.999 12.339 1.00 24.03 H new ATOM 0 HE ARG A 12 -13.250 -13.117 12.076 1.00 42.20 H new ATOM 0 HH11 ARG A 12 -15.283 -16.002 11.759 1.00 34.22 H new ATOM 0 HH12 ARG A 12 -16.791 -15.108 11.978 1.00 34.22 H new ATOM 0 HH21 ARG A 12 -15.195 -11.973 12.336 1.00 24.32 H new ATOM 0 HH22 ARG A 12 -16.739 -12.831 12.303 1.00 24.32 H new ATOM 197 N PHE A 13 -8.391 -14.961 9.374 1.00 54.31 N ATOM 198 CA PHE A 13 -7.503 -15.902 8.780 1.00 23.23 C ATOM 199 C PHE A 13 -6.755 -15.085 7.766 1.00 22.42 C ATOM 200 O PHE A 13 -7.247 -14.027 7.382 1.00 64.42 O ATOM 201 CB PHE A 13 -8.272 -17.016 8.054 1.00 25.02 C ATOM 202 CG PHE A 13 -9.198 -17.817 8.920 1.00 4.23 C ATOM 203 CD1 PHE A 13 -8.730 -18.905 9.636 1.00 20.41 C ATOM 204 CD2 PHE A 13 -10.539 -17.482 9.016 1.00 64.35 C ATOM 205 CE1 PHE A 13 -9.582 -19.642 10.432 1.00 51.22 C ATOM 206 CE2 PHE A 13 -11.395 -18.214 9.810 1.00 71.11 C ATOM 207 CZ PHE A 13 -10.917 -19.294 10.517 1.00 50.34 C ATOM 0 H PHE A 13 -8.841 -14.360 8.683 1.00 54.31 H new ATOM 0 HA PHE A 13 -6.868 -16.388 9.521 1.00 23.23 H new ATOM 0 HB2 PHE A 13 -8.851 -16.569 7.245 1.00 25.02 H new ATOM 0 HB3 PHE A 13 -7.552 -17.693 7.594 1.00 25.02 H new ATOM 0 HD1 PHE A 13 -7.688 -19.180 9.571 1.00 20.41 H new ATOM 0 HD2 PHE A 13 -10.918 -16.636 8.461 1.00 64.35 H new ATOM 0 HE1 PHE A 13 -9.207 -20.489 10.987 1.00 51.22 H new ATOM 0 HE2 PHE A 13 -12.438 -17.941 9.877 1.00 71.11 H new ATOM 0 HZ PHE A 13 -11.586 -19.870 11.139 1.00 50.34 H new ATOM 217 N PHE A 14 -5.610 -15.497 7.352 1.00 52.14 N ATOM 218 CA PHE A 14 -4.906 -14.732 6.357 1.00 43.01 C ATOM 219 C PHE A 14 -4.373 -15.608 5.269 1.00 25.32 C ATOM 220 O PHE A 14 -3.926 -16.735 5.519 1.00 32.11 O ATOM 221 CB PHE A 14 -3.809 -13.825 6.964 1.00 50.21 C ATOM 222 CG PHE A 14 -2.756 -14.528 7.768 1.00 52.40 C ATOM 223 CD1 PHE A 14 -1.607 -15.001 7.164 1.00 33.45 C ATOM 224 CD2 PHE A 14 -2.913 -14.708 9.130 1.00 34.14 C ATOM 225 CE1 PHE A 14 -0.635 -15.640 7.899 1.00 10.32 C ATOM 226 CE2 PHE A 14 -1.945 -15.345 9.871 1.00 54.02 C ATOM 227 CZ PHE A 14 -0.804 -15.813 9.255 1.00 11.03 C ATOM 0 H PHE A 14 -5.138 -16.342 7.673 1.00 52.14 H new ATOM 0 HA PHE A 14 -5.636 -14.059 5.906 1.00 43.01 H new ATOM 0 HB2 PHE A 14 -3.321 -13.284 6.153 1.00 50.21 H new ATOM 0 HB3 PHE A 14 -4.289 -13.081 7.600 1.00 50.21 H new ATOM 0 HD1 PHE A 14 -1.470 -14.867 6.101 1.00 33.45 H new ATOM 0 HD2 PHE A 14 -3.806 -14.344 9.617 1.00 34.14 H new ATOM 0 HE1 PHE A 14 0.258 -16.005 7.414 1.00 10.32 H new ATOM 0 HE2 PHE A 14 -2.079 -15.478 10.934 1.00 54.02 H new ATOM 0 HZ PHE A 14 -0.044 -16.315 9.835 1.00 11.03 H new ATOM 237 N GLU A 15 -4.443 -15.113 4.079 1.00 32.53 N ATOM 238 CA GLU A 15 -3.990 -15.790 2.948 1.00 33.45 C ATOM 239 C GLU A 15 -2.505 -15.674 2.819 1.00 64.31 C ATOM 240 O GLU A 15 -1.944 -14.620 2.488 1.00 30.52 O ATOM 241 CB GLU A 15 -4.677 -15.276 1.683 1.00 23.50 C ATOM 242 CG GLU A 15 -6.154 -15.648 1.539 1.00 32.25 C ATOM 243 CD GLU A 15 -7.023 -15.173 2.660 1.00 72.51 C ATOM 244 OE1 GLU A 15 -6.934 -14.021 3.019 1.00 22.22 O ATOM 245 OE2 GLU A 15 -7.797 -15.986 3.201 1.00 54.45 O ATOM 0 H GLU A 15 -4.834 -14.192 3.878 1.00 32.53 H new ATOM 0 HA GLU A 15 -4.246 -16.843 3.068 1.00 33.45 H new ATOM 0 HB2 GLU A 15 -4.590 -14.190 1.659 1.00 23.50 H new ATOM 0 HB3 GLU A 15 -4.138 -15.659 0.816 1.00 23.50 H new ATOM 0 HG2 GLU A 15 -6.531 -15.235 0.603 1.00 32.25 H new ATOM 0 HG3 GLU A 15 -6.237 -16.732 1.465 1.00 32.25 H new ATOM 252 N SER A 16 -1.894 -16.739 3.084 1.00 60.42 N ATOM 253 CA SER A 16 -0.531 -16.916 2.938 1.00 44.15 C ATOM 254 C SER A 16 -0.311 -17.622 1.620 1.00 33.23 C ATOM 255 O SER A 16 -1.081 -18.502 1.269 1.00 63.33 O ATOM 256 CB SER A 16 -0.106 -17.753 4.109 1.00 11.22 C ATOM 257 OG SER A 16 -1.076 -18.778 4.309 1.00 63.42 O ATOM 0 H SER A 16 -2.369 -17.571 3.434 1.00 60.42 H new ATOM 0 HA SER A 16 0.044 -15.990 2.924 1.00 44.15 H new ATOM 0 HB2 SER A 16 0.875 -18.191 3.925 1.00 11.22 H new ATOM 0 HB3 SER A 16 -0.017 -17.136 5.003 1.00 11.22 H new ATOM 0 HG SER A 16 -0.622 -19.637 4.441 1.00 63.42 H new ATOM 263 N HIS A 17 0.685 -17.193 0.862 1.00 32.14 N ATOM 264 CA HIS A 17 0.982 -17.787 -0.458 1.00 33.13 C ATOM 265 C HIS A 17 -0.150 -17.533 -1.432 1.00 62.11 C ATOM 266 O HIS A 17 -0.387 -18.323 -2.350 1.00 24.35 O ATOM 267 CB HIS A 17 1.286 -19.293 -0.375 1.00 14.31 C ATOM 268 CG HIS A 17 2.632 -19.649 0.176 1.00 1.51 C ATOM 269 ND1 HIS A 17 3.113 -19.648 1.440 1.00 15.42 N flip ATOM 270 CD2 HIS A 17 3.664 -20.101 -0.617 1.00 3.21 C flip ATOM 271 CE1 HIS A 17 4.406 -20.096 1.381 1.00 61.33 C flip ATOM 272 NE2 HIS A 17 4.712 -20.363 0.133 1.00 43.43 N flip ATOM 0 H HIS A 17 1.311 -16.433 1.128 1.00 32.14 H new ATOM 0 HA HIS A 17 1.884 -17.296 -0.823 1.00 33.13 H new ATOM 0 HB2 HIS A 17 0.523 -19.767 0.243 1.00 14.31 H new ATOM 0 HB3 HIS A 17 1.197 -19.720 -1.374 1.00 14.31 H new ATOM 0 HD2 HIS A 17 3.619 -20.222 -1.689 1.00 3.21 H new ATOM 0 HE1 HIS A 17 5.068 -20.211 2.226 1.00 61.33 H new ATOM 0 HE2 HIS A 17 5.610 -20.714 -0.199 1.00 43.43 H new ATOM 281 N VAL A 18 -0.817 -16.405 -1.241 1.00 55.31 N ATOM 282 CA VAL A 18 -1.896 -15.983 -2.105 1.00 64.02 C ATOM 283 C VAL A 18 -1.331 -15.778 -3.531 1.00 64.54 C ATOM 284 O VAL A 18 -0.126 -15.504 -3.696 1.00 11.02 O ATOM 285 CB VAL A 18 -2.519 -14.658 -1.575 1.00 34.43 C ATOM 286 CG1 VAL A 18 -1.586 -13.490 -1.754 1.00 63.24 C ATOM 287 CG2 VAL A 18 -3.892 -14.380 -2.155 1.00 21.51 C ATOM 0 H VAL A 18 -0.620 -15.758 -0.478 1.00 55.31 H new ATOM 0 HA VAL A 18 -2.678 -16.742 -2.123 1.00 64.02 H new ATOM 0 HB VAL A 18 -2.664 -14.796 -0.504 1.00 34.43 H new ATOM 0 HG11 VAL A 18 -2.058 -12.585 -1.372 1.00 63.24 H new ATOM 0 HG12 VAL A 18 -0.662 -13.676 -1.207 1.00 63.24 H new ATOM 0 HG13 VAL A 18 -1.362 -13.362 -2.813 1.00 63.24 H new ATOM 0 HG21 VAL A 18 -4.276 -13.444 -1.749 1.00 21.51 H new ATOM 0 HG22 VAL A 18 -3.820 -14.303 -3.240 1.00 21.51 H new ATOM 0 HG23 VAL A 18 -4.569 -15.193 -1.894 1.00 21.51 H new ATOM 297 N ALA A 19 -2.157 -15.917 -4.531 1.00 52.03 N ATOM 298 CA ALA A 19 -1.690 -15.811 -5.885 1.00 53.04 C ATOM 299 C ALA A 19 -1.632 -14.378 -6.323 1.00 71.44 C ATOM 300 O ALA A 19 -2.627 -13.656 -6.272 1.00 4.34 O ATOM 301 CB ALA A 19 -2.566 -16.603 -6.826 1.00 30.24 C ATOM 0 H ALA A 19 -3.155 -16.104 -4.434 1.00 52.03 H new ATOM 0 HA ALA A 19 -0.683 -16.226 -5.917 1.00 53.04 H new ATOM 0 HB1 ALA A 19 -2.189 -16.504 -7.844 1.00 30.24 H new ATOM 0 HB2 ALA A 19 -2.556 -17.653 -6.535 1.00 30.24 H new ATOM 0 HB3 ALA A 19 -3.587 -16.224 -6.779 1.00 30.24 H new ATOM 307 N ARG A 20 -0.471 -13.971 -6.753 1.00 61.34 N ATOM 308 CA ARG A 20 -0.261 -12.638 -7.253 1.00 4.32 C ATOM 309 C ARG A 20 -0.979 -12.452 -8.591 1.00 0.23 C ATOM 310 O ARG A 20 -1.311 -11.338 -8.994 1.00 33.22 O ATOM 311 CB ARG A 20 1.202 -12.370 -7.402 1.00 21.12 C ATOM 312 CG ARG A 20 1.551 -10.987 -7.900 1.00 52.32 C ATOM 313 CD ARG A 20 3.003 -10.927 -8.042 1.00 72.02 C ATOM 314 NE ARG A 20 3.497 -9.650 -8.522 1.00 52.32 N ATOM 315 CZ ARG A 20 4.712 -9.176 -8.249 1.00 43.54 C ATOM 316 NH1 ARG A 20 5.574 -9.892 -7.523 1.00 24.03 N ATOM 317 NH2 ARG A 20 5.069 -8.014 -8.727 1.00 51.02 N ATOM 0 H ARG A 20 0.363 -14.558 -6.767 1.00 61.34 H new ATOM 0 HA ARG A 20 -0.675 -11.926 -6.539 1.00 4.32 H new ATOM 0 HB2 ARG A 20 1.684 -12.525 -6.437 1.00 21.12 H new ATOM 0 HB3 ARG A 20 1.622 -13.104 -8.090 1.00 21.12 H new ATOM 0 HG2 ARG A 20 1.064 -10.789 -8.855 1.00 52.32 H new ATOM 0 HG3 ARG A 20 1.202 -10.228 -7.200 1.00 52.32 H new ATOM 0 HD2 ARG A 20 3.461 -11.143 -7.077 1.00 72.02 H new ATOM 0 HD3 ARG A 20 3.323 -11.710 -8.729 1.00 72.02 H new ATOM 0 HE ARG A 20 2.879 -9.083 -9.102 1.00 52.32 H new ATOM 0 HH11 ARG A 20 5.305 -10.811 -7.172 1.00 24.03 H new ATOM 0 HH12 ARG A 20 6.502 -9.520 -7.320 1.00 24.03 H new ATOM 0 HH21 ARG A 20 4.420 -7.478 -9.303 1.00 51.02 H new ATOM 0 HH22 ARG A 20 5.997 -7.642 -8.524 1.00 51.02 H new ATOM 331 N ALA A 21 -1.234 -13.558 -9.264 1.00 61.13 N ATOM 332 CA ALA A 21 -1.967 -13.539 -10.518 1.00 50.11 C ATOM 333 C ALA A 21 -3.411 -13.126 -10.275 1.00 33.12 C ATOM 334 O ALA A 21 -4.129 -12.735 -11.199 1.00 32.01 O ATOM 335 CB ALA A 21 -1.908 -14.907 -11.183 1.00 2.43 C ATOM 0 H ALA A 21 -0.943 -14.487 -8.962 1.00 61.13 H new ATOM 0 HA ALA A 21 -1.505 -12.811 -11.185 1.00 50.11 H new ATOM 0 HB1 ALA A 21 -2.461 -14.879 -12.122 1.00 2.43 H new ATOM 0 HB2 ALA A 21 -0.869 -15.171 -11.382 1.00 2.43 H new ATOM 0 HB3 ALA A 21 -2.351 -15.652 -10.522 1.00 2.43 H new ATOM 341 N ASN A 22 -3.810 -13.186 -9.018 1.00 44.11 N ATOM 342 CA ASN A 22 -5.154 -12.887 -8.615 1.00 61.41 C ATOM 343 C ASN A 22 -5.232 -11.495 -7.957 1.00 22.31 C ATOM 344 O ASN A 22 -6.324 -10.989 -7.710 1.00 4.42 O ATOM 345 CB ASN A 22 -5.626 -13.965 -7.616 1.00 54.44 C ATOM 346 CG ASN A 22 -7.105 -13.882 -7.248 1.00 60.11 C ATOM 347 OD1 ASN A 22 -7.940 -13.472 -8.051 1.00 63.21 O ATOM 348 ND2 ASN A 22 -7.439 -14.294 -6.047 1.00 43.10 N ATOM 0 H ASN A 22 -3.196 -13.448 -8.246 1.00 44.11 H new ATOM 0 HA ASN A 22 -5.798 -12.883 -9.495 1.00 61.41 H new ATOM 0 HB2 ASN A 22 -5.425 -14.949 -8.040 1.00 54.44 H new ATOM 0 HB3 ASN A 22 -5.033 -13.883 -6.705 1.00 54.44 H new ATOM 0 HD21 ASN A 22 -8.417 -14.280 -5.756 1.00 43.10 H new ATOM 0 HD22 ASN A 22 -6.721 -14.628 -5.405 1.00 43.10 H new ATOM 355 N VAL A 23 -4.081 -10.847 -7.691 1.00 14.34 N ATOM 356 CA VAL A 23 -4.147 -9.568 -6.983 1.00 32.41 C ATOM 357 C VAL A 23 -4.153 -8.367 -7.933 1.00 44.12 C ATOM 358 O VAL A 23 -3.454 -8.366 -8.958 1.00 24.01 O ATOM 359 CB VAL A 23 -3.003 -9.419 -5.924 1.00 2.11 C ATOM 360 CG1 VAL A 23 -1.661 -9.570 -6.568 1.00 0.12 C ATOM 361 CG2 VAL A 23 -3.065 -8.078 -5.250 1.00 51.02 C ATOM 0 H VAL A 23 -3.147 -11.170 -7.942 1.00 14.34 H new ATOM 0 HA VAL A 23 -5.100 -9.575 -6.454 1.00 32.41 H new ATOM 0 HB VAL A 23 -3.144 -10.205 -5.182 1.00 2.11 H new ATOM 0 HG11 VAL A 23 -0.881 -9.463 -5.814 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -1.587 -10.555 -7.029 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -1.535 -8.802 -7.331 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -2.260 -8.000 -4.519 1.00 51.02 H new ATOM 0 HG22 VAL A 23 -2.955 -7.291 -5.996 1.00 51.02 H new ATOM 0 HG23 VAL A 23 -4.025 -7.969 -4.745 1.00 51.02 H new ATOM 371 N LYS A 24 -4.983 -7.366 -7.606 1.00 40.35 N ATOM 372 CA LYS A 24 -4.967 -6.125 -8.340 1.00 72.00 C ATOM 373 C LYS A 24 -4.028 -5.153 -7.663 1.00 31.54 C ATOM 374 O LYS A 24 -3.252 -4.527 -8.296 1.00 44.13 O ATOM 375 CB LYS A 24 -6.354 -5.473 -8.455 1.00 20.11 C ATOM 376 CG LYS A 24 -7.375 -6.331 -9.176 1.00 52.11 C ATOM 377 CD LYS A 24 -8.632 -5.555 -9.548 1.00 25.24 C ATOM 378 CE LYS A 24 -9.348 -4.967 -8.351 1.00 3.35 C ATOM 379 NZ LYS A 24 -10.563 -4.236 -8.767 1.00 41.24 N ATOM 0 H LYS A 24 -5.661 -7.405 -6.845 1.00 40.35 H new ATOM 0 HA LYS A 24 -4.632 -6.362 -9.350 1.00 72.00 H new ATOM 0 HB2 LYS A 24 -6.724 -5.248 -7.455 1.00 20.11 H new ATOM 0 HB3 LYS A 24 -6.256 -4.523 -8.980 1.00 20.11 H new ATOM 0 HG2 LYS A 24 -6.925 -6.743 -10.080 1.00 52.11 H new ATOM 0 HG3 LYS A 24 -7.647 -7.175 -8.543 1.00 52.11 H new ATOM 0 HD2 LYS A 24 -8.365 -4.751 -10.234 1.00 25.24 H new ATOM 0 HD3 LYS A 24 -9.314 -6.216 -10.082 1.00 25.24 H new ATOM 0 HE2 LYS A 24 -9.618 -5.763 -7.657 1.00 3.35 H new ATOM 0 HE3 LYS A 24 -8.678 -4.293 -7.817 1.00 3.35 H new ATOM 0 HZ1 LYS A 24 -11.036 -3.843 -7.928 1.00 41.24 H new ATOM 0 HZ2 LYS A 24 -10.300 -3.463 -9.411 1.00 41.24 H new ATOM 0 HZ3 LYS A 24 -11.210 -4.888 -9.255 1.00 41.24 H new ATOM 393 N HIS A 25 -4.120 -5.072 -6.338 1.00 35.25 N ATOM 394 CA HIS A 25 -3.303 -4.143 -5.534 1.00 41.34 C ATOM 395 C HIS A 25 -3.403 -4.457 -4.045 1.00 53.35 C ATOM 396 O HIS A 25 -4.317 -5.184 -3.622 1.00 31.12 O ATOM 397 CB HIS A 25 -3.625 -2.647 -5.823 1.00 41.13 C ATOM 398 CG HIS A 25 -5.074 -2.262 -5.815 1.00 42.44 C ATOM 399 ND1 HIS A 25 -6.076 -3.028 -5.264 1.00 35.34 N ATOM 400 CD2 HIS A 25 -5.683 -1.192 -6.343 1.00 61.01 C ATOM 401 CE1 HIS A 25 -7.235 -2.436 -5.466 1.00 23.41 C ATOM 402 NE2 HIS A 25 -7.027 -1.324 -6.121 1.00 71.01 N ATOM 0 H HIS A 25 -4.759 -5.643 -5.785 1.00 35.25 H new ATOM 0 HA HIS A 25 -2.269 -4.300 -5.842 1.00 41.34 H new ATOM 0 HB2 HIS A 25 -3.106 -2.037 -5.084 1.00 41.13 H new ATOM 0 HB3 HIS A 25 -3.209 -2.390 -6.797 1.00 41.13 H new ATOM 0 HD1 HIS A 25 -5.942 -3.914 -4.776 1.00 35.34 H new ATOM 0 HD2 HIS A 25 -5.200 -0.372 -6.853 1.00 61.01 H new ATOM 0 HE1 HIS A 25 -8.197 -2.807 -5.144 1.00 23.41 H new ATOM 411 N LEU A 26 -2.527 -3.856 -3.255 1.00 73.54 N ATOM 412 CA LEU A 26 -2.402 -4.145 -1.814 1.00 14.21 C ATOM 413 C LEU A 26 -2.777 -2.952 -0.980 1.00 34.44 C ATOM 414 O LEU A 26 -2.402 -1.840 -1.284 1.00 43.43 O ATOM 415 CB LEU A 26 -0.933 -4.533 -1.454 1.00 23.23 C ATOM 416 CG LEU A 26 -0.522 -6.022 -1.500 1.00 64.30 C ATOM 417 CD1 LEU A 26 -0.905 -6.661 -2.789 1.00 3.10 C ATOM 418 CD2 LEU A 26 0.987 -6.164 -1.264 1.00 22.25 C ATOM 0 H LEU A 26 -1.873 -3.147 -3.587 1.00 73.54 H new ATOM 0 HA LEU A 26 -3.079 -4.972 -1.600 1.00 14.21 H new ATOM 0 HB2 LEU A 26 -0.273 -3.988 -2.129 1.00 23.23 H new ATOM 0 HB3 LEU A 26 -0.732 -4.167 -0.447 1.00 23.23 H new ATOM 0 HG LEU A 26 -1.059 -6.537 -0.704 1.00 64.30 H new ATOM 0 HD11 LEU A 26 -0.599 -7.707 -2.782 1.00 3.10 H new ATOM 0 HD12 LEU A 26 -1.986 -6.600 -2.918 1.00 3.10 H new ATOM 0 HD13 LEU A 26 -0.411 -6.144 -3.612 1.00 3.10 H new ATOM 0 HD21 LEU A 26 1.263 -7.218 -1.299 1.00 22.25 H new ATOM 0 HD22 LEU A 26 1.529 -5.621 -2.038 1.00 22.25 H new ATOM 0 HD23 LEU A 26 1.243 -5.754 -0.287 1.00 22.25 H new ATOM 430 N LYS A 27 -3.528 -3.191 0.054 1.00 4.11 N ATOM 431 CA LYS A 27 -3.895 -2.180 0.972 1.00 73.33 C ATOM 432 C LYS A 27 -3.245 -2.509 2.296 1.00 52.44 C ATOM 433 O LYS A 27 -3.525 -3.547 2.881 1.00 65.45 O ATOM 434 CB LYS A 27 -5.406 -2.115 1.108 1.00 15.51 C ATOM 435 CG LYS A 27 -5.821 -0.866 1.832 1.00 3.31 C ATOM 436 CD LYS A 27 -7.297 -0.577 1.765 1.00 41.11 C ATOM 437 CE LYS A 27 -8.173 -1.537 2.542 1.00 42.41 C ATOM 438 NZ LYS A 27 -8.314 -2.899 1.961 1.00 23.21 N ATOM 0 H LYS A 27 -3.904 -4.113 0.278 1.00 4.11 H new ATOM 0 HA LYS A 27 -3.560 -1.203 0.624 1.00 73.33 H new ATOM 0 HB2 LYS A 27 -5.866 -2.139 0.120 1.00 15.51 H new ATOM 0 HB3 LYS A 27 -5.765 -2.991 1.648 1.00 15.51 H new ATOM 0 HG2 LYS A 27 -5.525 -0.950 2.878 1.00 3.31 H new ATOM 0 HG3 LYS A 27 -5.277 -0.019 1.414 1.00 3.31 H new ATOM 0 HD2 LYS A 27 -7.471 0.433 2.137 1.00 41.11 H new ATOM 0 HD3 LYS A 27 -7.607 -0.590 0.720 1.00 41.11 H new ATOM 0 HE2 LYS A 27 -7.770 -1.632 3.550 1.00 42.41 H new ATOM 0 HE3 LYS A 27 -9.166 -1.098 2.636 1.00 42.41 H new ATOM 0 HZ1 LYS A 27 -9.317 -3.173 1.959 1.00 23.21 H new ATOM 0 HZ2 LYS A 27 -7.953 -2.900 0.986 1.00 23.21 H new ATOM 0 HZ3 LYS A 27 -7.771 -3.578 2.532 1.00 23.21 H new ATOM 452 N ILE A 28 -2.389 -1.640 2.771 1.00 13.31 N ATOM 453 CA ILE A 28 -1.618 -1.920 3.964 1.00 32.23 C ATOM 454 C ILE A 28 -2.221 -1.171 5.125 1.00 3.13 C ATOM 455 O ILE A 28 -2.356 0.070 5.094 1.00 64.20 O ATOM 456 CB ILE A 28 -0.127 -1.516 3.821 1.00 23.11 C ATOM 457 CG1 ILE A 28 0.471 -2.078 2.533 1.00 14.32 C ATOM 458 CG2 ILE A 28 0.666 -2.048 5.014 1.00 2.11 C ATOM 459 CD1 ILE A 28 1.922 -1.698 2.327 1.00 12.34 C ATOM 0 H ILE A 28 -2.205 -0.729 2.351 1.00 13.31 H new ATOM 0 HA ILE A 28 -1.650 -2.997 4.129 1.00 32.23 H new ATOM 0 HB ILE A 28 -0.071 -0.428 3.788 1.00 23.11 H new ATOM 0 HG12 ILE A 28 0.386 -3.165 2.546 1.00 14.32 H new ATOM 0 HG13 ILE A 28 -0.114 -1.723 1.685 1.00 14.32 H new ATOM 0 HG21 ILE A 28 1.713 -1.763 4.911 1.00 2.11 H new ATOM 0 HG22 ILE A 28 0.264 -1.626 5.935 1.00 2.11 H new ATOM 0 HG23 ILE A 28 0.587 -3.135 5.048 1.00 2.11 H new ATOM 0 HD11 ILE A 28 2.282 -2.131 1.394 1.00 12.34 H new ATOM 0 HD12 ILE A 28 2.011 -0.613 2.282 1.00 12.34 H new ATOM 0 HD13 ILE A 28 2.519 -2.077 3.157 1.00 12.34 H new ATOM 471 N LEU A 29 -2.569 -1.915 6.128 1.00 12.21 N ATOM 472 CA LEU A 29 -3.269 -1.431 7.271 1.00 23.31 C ATOM 473 C LEU A 29 -2.768 -2.136 8.542 1.00 63.22 C ATOM 474 O LEU A 29 -3.116 -3.273 8.841 1.00 53.24 O ATOM 475 CB LEU A 29 -4.784 -1.596 6.999 1.00 25.30 C ATOM 476 CG LEU A 29 -5.185 -2.949 6.426 1.00 33.45 C ATOM 477 CD1 LEU A 29 -5.725 -3.888 7.477 1.00 2.25 C ATOM 478 CD2 LEU A 29 -6.120 -2.778 5.267 1.00 63.22 C ATOM 0 H LEU A 29 -2.364 -2.913 6.172 1.00 12.21 H new ATOM 0 HA LEU A 29 -3.080 -0.372 7.448 1.00 23.31 H new ATOM 0 HB2 LEU A 29 -5.326 -1.437 7.931 1.00 25.30 H new ATOM 0 HB3 LEU A 29 -5.102 -0.815 6.308 1.00 25.30 H new ATOM 0 HG LEU A 29 -4.281 -3.428 6.049 1.00 33.45 H new ATOM 0 HD11 LEU A 29 -5.995 -4.837 7.013 1.00 2.25 H new ATOM 0 HD12 LEU A 29 -4.963 -4.060 8.237 1.00 2.25 H new ATOM 0 HD13 LEU A 29 -6.607 -3.447 7.940 1.00 2.25 H new ATOM 0 HD21 LEU A 29 -6.394 -3.757 4.873 1.00 63.22 H new ATOM 0 HD22 LEU A 29 -7.018 -2.256 5.598 1.00 63.22 H new ATOM 0 HD23 LEU A 29 -5.629 -2.197 4.486 1.00 63.22 H new ATOM 490 N ASN A 30 -1.893 -1.473 9.241 1.00 5.14 N ATOM 491 CA ASN A 30 -1.305 -2.019 10.447 1.00 25.43 C ATOM 492 C ASN A 30 -2.229 -1.770 11.618 1.00 3.43 C ATOM 493 O ASN A 30 -2.360 -0.647 12.092 1.00 32.13 O ATOM 494 CB ASN A 30 0.094 -1.401 10.670 1.00 53.53 C ATOM 495 CG ASN A 30 0.832 -1.845 11.939 1.00 64.45 C ATOM 496 OD1 ASN A 30 1.635 -1.088 12.476 1.00 12.05 O ATOM 497 ND2 ASN A 30 0.613 -3.052 12.403 1.00 73.12 N ATOM 0 H ASN A 30 -1.562 -0.539 8.998 1.00 5.14 H new ATOM 0 HA ASN A 30 -1.177 -3.097 10.348 1.00 25.43 H new ATOM 0 HB2 ASN A 30 0.717 -1.642 9.809 1.00 53.53 H new ATOM 0 HB3 ASN A 30 -0.010 -0.316 10.695 1.00 53.53 H new ATOM 0 HD21 ASN A 30 1.115 -3.380 13.228 1.00 73.12 H new ATOM 0 HD22 ASN A 30 -0.060 -3.663 11.939 1.00 73.12 H new ATOM 504 N THR A 31 -2.902 -2.816 12.037 1.00 72.23 N ATOM 505 CA THR A 31 -3.837 -2.733 13.117 1.00 35.30 C ATOM 506 C THR A 31 -3.103 -2.904 14.466 1.00 64.45 C ATOM 507 O THR A 31 -2.184 -3.714 14.566 1.00 31.33 O ATOM 508 CB THR A 31 -4.984 -3.776 12.925 1.00 15.20 C ATOM 509 OG1 THR A 31 -4.426 -5.094 12.793 1.00 2.15 O ATOM 510 CG2 THR A 31 -5.781 -3.461 11.651 1.00 11.43 C ATOM 0 H THR A 31 -2.811 -3.748 11.632 1.00 72.23 H new ATOM 0 HA THR A 31 -4.302 -1.747 13.123 1.00 35.30 H new ATOM 0 HB THR A 31 -5.640 -3.728 13.794 1.00 15.20 H new ATOM 0 HG1 THR A 31 -4.856 -5.697 13.435 1.00 2.15 H new ATOM 0 HG21 THR A 31 -6.577 -4.195 11.529 1.00 11.43 H new ATOM 0 HG22 THR A 31 -6.215 -2.465 11.731 1.00 11.43 H new ATOM 0 HG23 THR A 31 -5.117 -3.499 10.788 1.00 11.43 H new ATOM 518 N PRO A 32 -3.511 -2.134 15.509 1.00 12.42 N ATOM 519 CA PRO A 32 -2.817 -2.057 16.821 1.00 22.23 C ATOM 520 C PRO A 32 -2.350 -3.402 17.423 1.00 1.51 C ATOM 521 O PRO A 32 -1.215 -3.518 17.877 1.00 1.33 O ATOM 522 CB PRO A 32 -3.857 -1.386 17.749 1.00 40.34 C ATOM 523 CG PRO A 32 -5.113 -1.279 16.938 1.00 73.21 C ATOM 524 CD PRO A 32 -4.686 -1.264 15.502 1.00 23.20 C ATOM 0 HA PRO A 32 -1.881 -1.511 16.702 1.00 22.23 H new ATOM 0 HB2 PRO A 32 -4.021 -1.980 18.648 1.00 40.34 H new ATOM 0 HB3 PRO A 32 -3.516 -0.403 18.074 1.00 40.34 H new ATOM 0 HG2 PRO A 32 -5.777 -2.120 17.137 1.00 73.21 H new ATOM 0 HG3 PRO A 32 -5.662 -0.372 17.190 1.00 73.21 H new ATOM 0 HD2 PRO A 32 -5.467 -1.643 14.843 1.00 23.20 H new ATOM 0 HD3 PRO A 32 -4.443 -0.257 15.162 1.00 23.20 H new ATOM 532 N ASN A 33 -3.199 -4.403 17.399 1.00 32.12 N ATOM 533 CA ASN A 33 -2.888 -5.687 18.052 1.00 21.43 C ATOM 534 C ASN A 33 -2.157 -6.657 17.114 1.00 31.42 C ATOM 535 O ASN A 33 -1.741 -7.747 17.514 1.00 52.43 O ATOM 536 CB ASN A 33 -4.193 -6.297 18.606 1.00 10.21 C ATOM 537 CG ASN A 33 -4.042 -7.641 19.298 1.00 54.15 C ATOM 538 OD1 ASN A 33 -4.194 -8.691 18.681 1.00 5.22 O ATOM 539 ND2 ASN A 33 -3.744 -7.617 20.573 1.00 41.13 N ATOM 0 H ASN A 33 -4.110 -4.370 16.941 1.00 32.12 H new ATOM 0 HA ASN A 33 -2.200 -5.502 18.877 1.00 21.43 H new ATOM 0 HB2 ASN A 33 -4.633 -5.592 19.311 1.00 10.21 H new ATOM 0 HB3 ASN A 33 -4.900 -6.408 17.784 1.00 10.21 H new ATOM 0 HD21 ASN A 33 -3.631 -8.491 21.087 1.00 41.13 H new ATOM 0 HD22 ASN A 33 -3.625 -6.724 21.052 1.00 41.13 H new ATOM 546 N CYS A 34 -1.946 -6.244 15.906 1.00 42.43 N ATOM 547 CA CYS A 34 -1.372 -7.112 14.915 1.00 1.35 C ATOM 548 C CYS A 34 -0.135 -6.528 14.247 1.00 33.14 C ATOM 549 O CYS A 34 0.108 -5.326 14.314 1.00 54.55 O ATOM 550 CB CYS A 34 -2.458 -7.520 13.915 1.00 45.22 C ATOM 551 SG CYS A 34 -3.618 -8.750 14.591 1.00 65.21 S ATOM 0 H CYS A 34 -2.163 -5.304 15.575 1.00 42.43 H new ATOM 0 HA CYS A 34 -1.004 -8.008 15.415 1.00 1.35 H new ATOM 0 HB2 CYS A 34 -3.014 -6.634 13.608 1.00 45.22 H new ATOM 0 HB3 CYS A 34 -1.987 -7.926 13.020 1.00 45.22 H new ATOM 556 N ALA A 35 0.669 -7.405 13.638 1.00 2.44 N ATOM 557 CA ALA A 35 1.886 -7.016 12.915 1.00 72.03 C ATOM 558 C ALA A 35 1.527 -6.189 11.671 1.00 71.42 C ATOM 559 O ALA A 35 0.367 -5.751 11.513 1.00 13.13 O ATOM 560 CB ALA A 35 2.659 -8.283 12.505 1.00 60.44 C ATOM 0 H ALA A 35 0.494 -8.410 13.632 1.00 2.44 H new ATOM 0 HA ALA A 35 2.511 -6.404 13.565 1.00 72.03 H new ATOM 0 HB1 ALA A 35 3.564 -7.999 11.968 1.00 60.44 H new ATOM 0 HB2 ALA A 35 2.929 -8.849 13.397 1.00 60.44 H new ATOM 0 HB3 ALA A 35 2.032 -8.899 11.860 1.00 60.44 H new ATOM 566 N CYS A 36 2.508 -5.946 10.796 1.00 41.05 N ATOM 567 CA CYS A 36 2.233 -5.260 9.549 1.00 23.35 C ATOM 568 C CYS A 36 1.207 -6.109 8.844 1.00 12.01 C ATOM 569 O CYS A 36 1.368 -7.304 8.758 1.00 63.33 O ATOM 570 CB CYS A 36 3.511 -5.137 8.695 1.00 5.25 C ATOM 571 SG CYS A 36 3.331 -4.123 7.184 1.00 2.35 S ATOM 0 H CYS A 36 3.483 -6.213 10.933 1.00 41.05 H new ATOM 0 HA CYS A 36 1.875 -4.245 9.720 1.00 23.35 H new ATOM 0 HB2 CYS A 36 4.302 -4.709 9.310 1.00 5.25 H new ATOM 0 HB3 CYS A 36 3.836 -6.137 8.408 1.00 5.25 H new ATOM 576 N GLN A 37 0.145 -5.525 8.410 1.00 72.42 N ATOM 577 CA GLN A 37 -0.912 -6.308 7.880 1.00 34.30 C ATOM 578 C GLN A 37 -1.406 -5.723 6.602 1.00 41.12 C ATOM 579 O GLN A 37 -1.643 -4.515 6.494 1.00 25.12 O ATOM 580 CB GLN A 37 -1.984 -6.498 8.957 1.00 34.51 C ATOM 581 CG GLN A 37 -3.186 -7.348 8.577 1.00 15.34 C ATOM 582 CD GLN A 37 -3.907 -7.881 9.818 1.00 62.23 C ATOM 583 OE1 GLN A 37 -5.115 -8.061 9.835 1.00 70.44 O ATOM 584 NE2 GLN A 37 -3.154 -8.200 10.841 1.00 0.23 N ATOM 0 H GLN A 37 -0.013 -4.517 8.412 1.00 72.42 H new ATOM 0 HA GLN A 37 -0.564 -7.306 7.614 1.00 34.30 H new ATOM 0 HB2 GLN A 37 -1.513 -6.946 9.832 1.00 34.51 H new ATOM 0 HB3 GLN A 37 -2.344 -5.514 9.257 1.00 34.51 H new ATOM 0 HG2 GLN A 37 -3.878 -6.756 7.978 1.00 15.34 H new ATOM 0 HG3 GLN A 37 -2.862 -8.183 7.956 1.00 15.34 H new ATOM 0 HE21 GLN A 37 -2.147 -8.040 10.803 1.00 0.23 H new ATOM 0 HE22 GLN A 37 -3.574 -8.608 11.676 1.00 0.23 H new ATOM 593 N ILE A 38 -1.510 -6.561 5.627 1.00 32.22 N ATOM 594 CA ILE A 38 -1.844 -6.157 4.310 1.00 61.13 C ATOM 595 C ILE A 38 -3.077 -6.905 3.858 1.00 34.44 C ATOM 596 O ILE A 38 -3.208 -8.076 4.120 1.00 3.12 O ATOM 597 CB ILE A 38 -0.670 -6.488 3.341 1.00 52.55 C ATOM 598 CG1 ILE A 38 0.635 -5.817 3.812 1.00 24.53 C ATOM 599 CG2 ILE A 38 -1.007 -6.060 1.927 1.00 73.11 C ATOM 600 CD1 ILE A 38 1.846 -6.119 2.944 1.00 55.50 C ATOM 0 H ILE A 38 -1.362 -7.565 5.729 1.00 32.22 H new ATOM 0 HA ILE A 38 -2.032 -5.083 4.301 1.00 61.13 H new ATOM 0 HB ILE A 38 -0.520 -7.568 3.347 1.00 52.55 H new ATOM 0 HG12 ILE A 38 0.484 -4.738 3.841 1.00 24.53 H new ATOM 0 HG13 ILE A 38 0.846 -6.137 4.832 1.00 24.53 H new ATOM 0 HG21 ILE A 38 -0.174 -6.300 1.266 1.00 73.11 H new ATOM 0 HG22 ILE A 38 -1.900 -6.586 1.591 1.00 73.11 H new ATOM 0 HG23 ILE A 38 -1.189 -4.986 1.906 1.00 73.11 H new ATOM 0 HD11 ILE A 38 2.720 -5.607 3.348 1.00 55.50 H new ATOM 0 HD12 ILE A 38 2.028 -7.194 2.934 1.00 55.50 H new ATOM 0 HD13 ILE A 38 1.660 -5.773 1.927 1.00 55.50 H new ATOM 612 N VAL A 39 -3.968 -6.218 3.223 1.00 14.12 N ATOM 613 CA VAL A 39 -5.134 -6.815 2.637 1.00 21.11 C ATOM 614 C VAL A 39 -5.048 -6.575 1.145 1.00 40.32 C ATOM 615 O VAL A 39 -4.869 -5.440 0.714 1.00 32.52 O ATOM 616 CB VAL A 39 -6.448 -6.200 3.213 1.00 64.02 C ATOM 617 CG1 VAL A 39 -7.679 -6.791 2.539 1.00 60.04 C ATOM 618 CG2 VAL A 39 -6.525 -6.423 4.717 1.00 74.24 C ATOM 0 H VAL A 39 -3.910 -5.208 3.092 1.00 14.12 H new ATOM 0 HA VAL A 39 -5.164 -7.880 2.866 1.00 21.11 H new ATOM 0 HB VAL A 39 -6.428 -5.129 3.010 1.00 64.02 H new ATOM 0 HG11 VAL A 39 -8.577 -6.342 2.963 1.00 60.04 H new ATOM 0 HG12 VAL A 39 -7.641 -6.587 1.469 1.00 60.04 H new ATOM 0 HG13 VAL A 39 -7.701 -7.869 2.702 1.00 60.04 H new ATOM 0 HG21 VAL A 39 -7.447 -5.988 5.103 1.00 74.24 H new ATOM 0 HG22 VAL A 39 -6.512 -7.492 4.927 1.00 74.24 H new ATOM 0 HG23 VAL A 39 -5.671 -5.948 5.199 1.00 74.24 H new ATOM 628 N ALA A 40 -5.179 -7.598 0.365 1.00 72.05 N ATOM 629 CA ALA A 40 -5.017 -7.457 -1.055 1.00 63.40 C ATOM 630 C ALA A 40 -6.341 -7.576 -1.718 1.00 30.12 C ATOM 631 O ALA A 40 -7.135 -8.478 -1.408 1.00 74.14 O ATOM 632 CB ALA A 40 -4.051 -8.499 -1.611 1.00 72.20 C ATOM 0 H ALA A 40 -5.398 -8.543 0.682 1.00 72.05 H new ATOM 0 HA ALA A 40 -4.593 -6.473 -1.258 1.00 63.40 H new ATOM 0 HB1 ALA A 40 -3.951 -8.364 -2.688 1.00 72.20 H new ATOM 0 HB2 ALA A 40 -3.076 -8.380 -1.138 1.00 72.20 H new ATOM 0 HB3 ALA A 40 -4.435 -9.498 -1.404 1.00 72.20 H new ATOM 638 N ARG A 41 -6.601 -6.661 -2.610 1.00 51.12 N ATOM 639 CA ARG A 41 -7.845 -6.646 -3.287 1.00 33.32 C ATOM 640 C ARG A 41 -7.651 -7.306 -4.618 1.00 2.35 C ATOM 641 O ARG A 41 -6.770 -6.920 -5.410 1.00 23.21 O ATOM 642 CB ARG A 41 -8.401 -5.237 -3.375 1.00 24.31 C ATOM 643 CG ARG A 41 -9.876 -5.179 -3.717 1.00 70.44 C ATOM 644 CD ARG A 41 -10.416 -3.800 -3.440 1.00 61.13 C ATOM 645 NE ARG A 41 -11.869 -3.743 -3.489 1.00 1.52 N ATOM 646 CZ ARG A 41 -12.588 -2.621 -3.532 1.00 62.01 C ATOM 647 NH1 ARG A 41 -12.001 -1.444 -3.748 1.00 42.04 N ATOM 648 NH2 ARG A 41 -13.899 -2.682 -3.399 1.00 52.33 N ATOM 0 H ARG A 41 -5.957 -5.917 -2.878 1.00 51.12 H new ATOM 0 HA ARG A 41 -8.599 -7.208 -2.736 1.00 33.32 H new ATOM 0 HB2 ARG A 41 -8.239 -4.733 -2.422 1.00 24.31 H new ATOM 0 HB3 ARG A 41 -7.841 -4.683 -4.128 1.00 24.31 H new ATOM 0 HG2 ARG A 41 -10.024 -5.432 -4.767 1.00 70.44 H new ATOM 0 HG3 ARG A 41 -10.423 -5.917 -3.130 1.00 70.44 H new ATOM 0 HD2 ARG A 41 -10.077 -3.473 -2.457 1.00 61.13 H new ATOM 0 HD3 ARG A 41 -10.005 -3.101 -4.168 1.00 61.13 H new ATOM 0 HE ARG A 41 -12.376 -4.628 -3.491 1.00 1.52 H new ATOM 0 HH11 ARG A 41 -10.991 -1.395 -3.883 1.00 42.04 H new ATOM 0 HH12 ARG A 41 -12.562 -0.592 -3.779 1.00 42.04 H new ATOM 0 HH21 ARG A 41 -14.357 -3.584 -3.264 1.00 52.33 H new ATOM 0 HH22 ARG A 41 -14.455 -1.828 -3.431 1.00 52.33 H new ATOM 662 N LEU A 42 -8.449 -8.280 -4.838 1.00 43.01 N ATOM 663 CA LEU A 42 -8.292 -9.230 -5.892 1.00 13.44 C ATOM 664 C LEU A 42 -9.064 -8.867 -7.142 1.00 54.43 C ATOM 665 O LEU A 42 -9.893 -7.943 -7.147 1.00 62.42 O ATOM 666 CB LEU A 42 -8.786 -10.552 -5.349 1.00 22.34 C ATOM 667 CG LEU A 42 -8.125 -10.987 -4.039 1.00 20.21 C ATOM 668 CD1 LEU A 42 -8.849 -12.158 -3.445 1.00 71.10 C ATOM 669 CD2 LEU A 42 -6.655 -11.320 -4.258 1.00 74.42 C ATOM 0 H LEU A 42 -9.274 -8.453 -4.264 1.00 43.01 H new ATOM 0 HA LEU A 42 -7.245 -9.264 -6.192 1.00 13.44 H new ATOM 0 HB2 LEU A 42 -9.863 -10.487 -5.194 1.00 22.34 H new ATOM 0 HB3 LEU A 42 -8.618 -11.324 -6.100 1.00 22.34 H new ATOM 0 HG LEU A 42 -8.184 -10.155 -3.337 1.00 20.21 H new ATOM 0 HD11 LEU A 42 -8.364 -12.452 -2.514 1.00 71.10 H new ATOM 0 HD12 LEU A 42 -9.884 -11.882 -3.243 1.00 71.10 H new ATOM 0 HD13 LEU A 42 -8.827 -12.993 -4.145 1.00 71.10 H new ATOM 0 HD21 LEU A 42 -6.207 -11.626 -3.313 1.00 74.42 H new ATOM 0 HD22 LEU A 42 -6.570 -12.132 -4.980 1.00 74.42 H new ATOM 0 HD23 LEU A 42 -6.135 -10.440 -4.638 1.00 74.42 H new ATOM 681 N LYS A 43 -8.775 -9.607 -8.186 1.00 44.24 N ATOM 682 CA LYS A 43 -9.394 -9.470 -9.487 1.00 14.14 C ATOM 683 C LYS A 43 -10.798 -10.065 -9.496 1.00 41.13 C ATOM 684 O LYS A 43 -11.255 -10.634 -8.486 1.00 72.43 O ATOM 685 CB LYS A 43 -8.520 -10.171 -10.518 1.00 34.43 C ATOM 686 CG LYS A 43 -7.172 -9.498 -10.760 1.00 73.12 C ATOM 687 CD LYS A 43 -6.235 -10.396 -11.552 1.00 21.14 C ATOM 688 CE LYS A 43 -6.874 -10.903 -12.835 1.00 22.21 C ATOM 689 NZ LYS A 43 -6.000 -11.847 -13.561 1.00 40.15 N ATOM 0 H LYS A 43 -8.076 -10.349 -8.153 1.00 44.24 H new ATOM 0 HA LYS A 43 -9.485 -8.411 -9.729 1.00 14.14 H new ATOM 0 HB2 LYS A 43 -8.348 -11.197 -10.193 1.00 34.43 H new ATOM 0 HB3 LYS A 43 -9.062 -10.222 -11.462 1.00 34.43 H new ATOM 0 HG2 LYS A 43 -7.323 -8.562 -11.299 1.00 73.12 H new ATOM 0 HG3 LYS A 43 -6.714 -9.245 -9.804 1.00 73.12 H new ATOM 0 HD2 LYS A 43 -5.325 -9.846 -11.794 1.00 21.14 H new ATOM 0 HD3 LYS A 43 -5.940 -11.245 -10.935 1.00 21.14 H new ATOM 0 HE2 LYS A 43 -7.818 -11.394 -12.599 1.00 22.21 H new ATOM 0 HE3 LYS A 43 -7.107 -10.057 -13.481 1.00 22.21 H new ATOM 0 HZ1 LYS A 43 -6.576 -12.615 -13.962 1.00 40.15 H new ATOM 0 HZ2 LYS A 43 -5.509 -11.345 -14.328 1.00 40.15 H new ATOM 0 HZ3 LYS A 43 -5.300 -12.247 -12.904 1.00 40.15 H new ATOM 703 N ASN A 44 -11.478 -9.943 -10.634 1.00 64.43 N ATOM 704 CA ASN A 44 -12.839 -10.434 -10.786 1.00 61.11 C ATOM 705 C ASN A 44 -12.904 -11.955 -10.744 1.00 74.23 C ATOM 706 O ASN A 44 -12.683 -12.648 -11.749 1.00 1.43 O ATOM 707 CB ASN A 44 -13.506 -9.875 -12.051 1.00 13.52 C ATOM 708 CG ASN A 44 -14.940 -10.351 -12.238 1.00 64.41 C ATOM 709 OD1 ASN A 44 -15.655 -10.646 -11.275 1.00 33.22 O ATOM 710 ND2 ASN A 44 -15.375 -10.410 -13.465 1.00 31.53 N ATOM 0 H ASN A 44 -11.099 -9.502 -11.472 1.00 64.43 H new ATOM 0 HA ASN A 44 -13.406 -10.067 -9.931 1.00 61.11 H new ATOM 0 HB2 ASN A 44 -13.495 -8.786 -12.008 1.00 13.52 H new ATOM 0 HB3 ASN A 44 -12.918 -10.165 -12.922 1.00 13.52 H new ATOM 0 HD21 ASN A 44 -16.333 -10.707 -13.653 1.00 31.53 H new ATOM 0 HD22 ASN A 44 -14.758 -10.159 -14.237 1.00 31.53 H new ATOM 717 N ASN A 45 -13.163 -12.437 -9.560 1.00 33.42 N ATOM 718 CA ASN A 45 -13.294 -13.845 -9.198 1.00 30.13 C ATOM 719 C ASN A 45 -13.396 -13.875 -7.703 1.00 61.22 C ATOM 720 O ASN A 45 -14.205 -14.594 -7.117 1.00 65.43 O ATOM 721 CB ASN A 45 -12.069 -14.685 -9.628 1.00 63.31 C ATOM 722 CG ASN A 45 -12.225 -16.168 -9.283 1.00 55.44 C ATOM 723 OD1 ASN A 45 -13.330 -16.702 -9.247 1.00 22.41 O ATOM 724 ND2 ASN A 45 -11.130 -16.837 -9.034 1.00 4.10 N ATOM 0 H ASN A 45 -13.300 -11.823 -8.757 1.00 33.42 H new ATOM 0 HA ASN A 45 -14.162 -14.273 -9.700 1.00 30.13 H new ATOM 0 HB2 ASN A 45 -11.919 -14.579 -10.702 1.00 63.31 H new ATOM 0 HB3 ASN A 45 -11.175 -14.294 -9.141 1.00 63.31 H new ATOM 0 HD21 ASN A 45 -11.180 -17.829 -8.802 1.00 4.10 H new ATOM 0 HD22 ASN A 45 -10.226 -16.367 -9.071 1.00 4.10 H new ATOM 731 N ASN A 46 -12.593 -13.033 -7.088 1.00 73.52 N ATOM 732 CA ASN A 46 -12.550 -12.905 -5.657 1.00 15.14 C ATOM 733 C ASN A 46 -12.714 -11.431 -5.283 1.00 60.31 C ATOM 734 O ASN A 46 -13.038 -10.608 -6.140 1.00 41.12 O ATOM 735 CB ASN A 46 -11.245 -13.464 -5.106 1.00 33.22 C ATOM 736 CG ASN A 46 -11.028 -14.942 -5.380 1.00 70.14 C ATOM 737 OD1 ASN A 46 -10.455 -15.316 -6.398 1.00 33.54 O ATOM 738 ND2 ASN A 46 -11.451 -15.782 -4.474 1.00 0.21 N ATOM 0 H ASN A 46 -11.947 -12.414 -7.578 1.00 73.52 H new ATOM 0 HA ASN A 46 -13.365 -13.480 -5.216 1.00 15.14 H new ATOM 0 HB2 ASN A 46 -10.414 -12.902 -5.534 1.00 33.22 H new ATOM 0 HB3 ASN A 46 -11.220 -13.300 -4.029 1.00 33.22 H new ATOM 0 HD21 ASN A 46 -11.308 -16.784 -4.601 1.00 0.21 H new ATOM 0 HD22 ASN A 46 -11.924 -15.436 -3.639 1.00 0.21 H new ATOM 745 N ARG A 47 -12.508 -11.082 -4.029 1.00 43.23 N ATOM 746 CA ARG A 47 -12.773 -9.715 -3.589 1.00 72.31 C ATOM 747 C ARG A 47 -11.562 -9.161 -2.874 1.00 21.13 C ATOM 748 O ARG A 47 -10.753 -8.462 -3.464 1.00 42.22 O ATOM 749 CB ARG A 47 -14.020 -9.631 -2.658 1.00 75.55 C ATOM 750 CG ARG A 47 -15.286 -10.324 -3.179 1.00 52.31 C ATOM 751 CD ARG A 47 -15.154 -11.840 -3.071 1.00 14.24 C ATOM 752 NE ARG A 47 -16.236 -12.567 -3.726 1.00 13.11 N ATOM 753 CZ ARG A 47 -16.319 -13.901 -3.775 1.00 72.12 C ATOM 754 NH1 ARG A 47 -15.402 -14.654 -3.163 1.00 1.24 N ATOM 755 NH2 ARG A 47 -17.317 -14.480 -4.425 1.00 3.32 N ATOM 0 H ARG A 47 -12.164 -11.710 -3.302 1.00 43.23 H new ATOM 0 HA ARG A 47 -12.984 -9.119 -4.477 1.00 72.31 H new ATOM 0 HB2 ARG A 47 -13.760 -10.066 -1.693 1.00 75.55 H new ATOM 0 HB3 ARG A 47 -14.249 -8.580 -2.482 1.00 75.55 H new ATOM 0 HG2 ARG A 47 -16.152 -9.988 -2.608 1.00 52.31 H new ATOM 0 HG3 ARG A 47 -15.460 -10.042 -4.217 1.00 52.31 H new ATOM 0 HD2 ARG A 47 -14.204 -12.146 -3.509 1.00 14.24 H new ATOM 0 HD3 ARG A 47 -15.124 -12.120 -2.018 1.00 14.24 H new ATOM 0 HE ARG A 47 -16.975 -12.025 -4.174 1.00 13.11 H new ATOM 0 HH11 ARG A 47 -14.635 -14.212 -2.656 1.00 1.24 H new ATOM 0 HH12 ARG A 47 -15.468 -15.671 -3.202 1.00 1.24 H new ATOM 0 HH21 ARG A 47 -18.023 -13.909 -4.889 1.00 3.32 H new ATOM 0 HH22 ARG A 47 -17.379 -15.497 -4.462 1.00 3.32 H new ATOM 769 N GLN A 48 -11.447 -9.482 -1.616 1.00 34.33 N ATOM 770 CA GLN A 48 -10.296 -9.146 -0.823 1.00 61.21 C ATOM 771 C GLN A 48 -9.918 -10.310 0.013 1.00 32.42 C ATOM 772 O GLN A 48 -10.778 -11.125 0.390 1.00 22.42 O ATOM 773 CB GLN A 48 -10.488 -7.921 0.087 1.00 21.24 C ATOM 774 CG GLN A 48 -10.594 -6.594 -0.614 1.00 11.31 C ATOM 775 CD GLN A 48 -10.588 -5.421 0.351 1.00 64.03 C ATOM 776 OE1 GLN A 48 -10.122 -4.322 0.017 1.00 21.34 O ATOM 777 NE2 GLN A 48 -11.074 -5.631 1.549 1.00 4.25 N ATOM 0 H GLN A 48 -12.164 -9.994 -1.102 1.00 34.33 H new ATOM 0 HA GLN A 48 -9.510 -8.885 -1.531 1.00 61.21 H new ATOM 0 HB2 GLN A 48 -11.390 -8.070 0.680 1.00 21.24 H new ATOM 0 HB3 GLN A 48 -9.652 -7.876 0.785 1.00 21.24 H new ATOM 0 HG2 GLN A 48 -9.764 -6.489 -1.313 1.00 11.31 H new ATOM 0 HG3 GLN A 48 -11.511 -6.571 -1.203 1.00 11.31 H new ATOM 0 HE21 GLN A 48 -11.450 -6.547 1.793 1.00 4.25 H new ATOM 0 HE22 GLN A 48 -11.076 -4.879 2.238 1.00 4.25 H new ATOM 786 N VAL A 49 -8.665 -10.410 0.266 1.00 72.33 N ATOM 787 CA VAL A 49 -8.109 -11.391 1.151 1.00 42.01 C ATOM 788 C VAL A 49 -7.059 -10.710 1.993 1.00 64.40 C ATOM 789 O VAL A 49 -6.505 -9.679 1.582 1.00 12.44 O ATOM 790 CB VAL A 49 -7.535 -12.648 0.420 1.00 72.20 C ATOM 791 CG1 VAL A 49 -8.642 -13.492 -0.189 1.00 42.00 C ATOM 792 CG2 VAL A 49 -6.519 -12.276 -0.637 1.00 31.50 C ATOM 0 H VAL A 49 -7.965 -9.794 -0.147 1.00 72.33 H new ATOM 0 HA VAL A 49 -8.910 -11.785 1.776 1.00 42.01 H new ATOM 0 HB VAL A 49 -7.026 -13.242 1.179 1.00 72.20 H new ATOM 0 HG11 VAL A 49 -8.207 -14.357 -0.689 1.00 42.00 H new ATOM 0 HG12 VAL A 49 -9.317 -13.829 0.598 1.00 42.00 H new ATOM 0 HG13 VAL A 49 -9.197 -12.896 -0.913 1.00 42.00 H new ATOM 0 HG21 VAL A 49 -6.147 -13.180 -1.119 1.00 31.50 H new ATOM 0 HG22 VAL A 49 -6.988 -11.634 -1.383 1.00 31.50 H new ATOM 0 HG23 VAL A 49 -5.688 -11.745 -0.172 1.00 31.50 H new ATOM 802 N CYS A 50 -6.779 -11.246 3.116 1.00 1.31 N ATOM 803 CA CYS A 50 -5.895 -10.617 4.047 1.00 24.43 C ATOM 804 C CYS A 50 -4.585 -11.361 3.903 1.00 33.14 C ATOM 805 O CYS A 50 -4.571 -12.549 3.901 1.00 74.30 O ATOM 806 CB CYS A 50 -6.499 -10.761 5.458 1.00 41.11 C ATOM 807 SG CYS A 50 -5.946 -9.527 6.679 1.00 31.31 S ATOM 0 H CYS A 50 -7.154 -12.141 3.429 1.00 1.31 H new ATOM 0 HA CYS A 50 -5.745 -9.552 3.871 1.00 24.43 H new ATOM 0 HB2 CYS A 50 -7.585 -10.705 5.377 1.00 41.11 H new ATOM 0 HB3 CYS A 50 -6.259 -11.754 5.837 1.00 41.11 H new ATOM 812 N ILE A 51 -3.496 -10.670 3.774 1.00 65.12 N ATOM 813 CA ILE A 51 -2.272 -11.305 3.318 1.00 41.54 C ATOM 814 C ILE A 51 -1.257 -11.513 4.414 1.00 0.34 C ATOM 815 O ILE A 51 -1.181 -10.739 5.376 1.00 33.01 O ATOM 816 CB ILE A 51 -1.591 -10.440 2.189 1.00 70.10 C ATOM 817 CG1 ILE A 51 -2.559 -10.146 1.065 1.00 23.31 C ATOM 818 CG2 ILE A 51 -0.343 -11.112 1.608 1.00 22.34 C ATOM 819 CD1 ILE A 51 -3.195 -11.378 0.475 1.00 42.20 C ATOM 0 H ILE A 51 -3.416 -9.673 3.973 1.00 65.12 H new ATOM 0 HA ILE A 51 -2.574 -12.283 2.943 1.00 41.54 H new ATOM 0 HB ILE A 51 -1.289 -9.508 2.667 1.00 70.10 H new ATOM 0 HG12 ILE A 51 -3.343 -9.486 1.436 1.00 23.31 H new ATOM 0 HG13 ILE A 51 -2.034 -9.606 0.277 1.00 23.31 H new ATOM 0 HG21 ILE A 51 0.087 -10.475 0.835 1.00 22.34 H new ATOM 0 HG22 ILE A 51 0.390 -11.266 2.400 1.00 22.34 H new ATOM 0 HG23 ILE A 51 -0.616 -12.074 1.175 1.00 22.34 H new ATOM 0 HD11 ILE A 51 -3.876 -11.088 -0.325 1.00 42.20 H new ATOM 0 HD12 ILE A 51 -2.420 -12.030 0.073 1.00 42.20 H new ATOM 0 HD13 ILE A 51 -3.749 -11.908 1.250 1.00 42.20 H new ATOM 831 N ASP A 52 -0.509 -12.596 4.262 1.00 4.43 N ATOM 832 CA ASP A 52 0.675 -12.872 5.045 1.00 33.34 C ATOM 833 C ASP A 52 1.771 -11.928 4.536 1.00 44.24 C ATOM 834 O ASP A 52 2.265 -12.091 3.418 1.00 60.20 O ATOM 835 CB ASP A 52 1.108 -14.338 4.811 1.00 52.52 C ATOM 836 CG ASP A 52 2.375 -14.754 5.548 1.00 4.51 C ATOM 837 OD1 ASP A 52 3.462 -14.455 5.057 1.00 42.42 O ATOM 838 OD2 ASP A 52 2.274 -15.426 6.604 1.00 71.03 O ATOM 0 H ASP A 52 -0.717 -13.320 3.574 1.00 4.43 H new ATOM 0 HA ASP A 52 0.492 -12.725 6.109 1.00 33.34 H new ATOM 0 HB2 ASP A 52 0.294 -14.996 5.116 1.00 52.52 H new ATOM 0 HB3 ASP A 52 1.259 -14.492 3.742 1.00 52.52 H new ATOM 843 N PRO A 53 2.138 -10.912 5.311 1.00 51.25 N ATOM 844 CA PRO A 53 3.143 -9.908 4.902 1.00 72.35 C ATOM 845 C PRO A 53 4.547 -10.401 5.213 1.00 64.31 C ATOM 846 O PRO A 53 5.455 -9.622 5.510 1.00 13.13 O ATOM 847 CB PRO A 53 2.798 -8.753 5.818 1.00 72.45 C ATOM 848 CG PRO A 53 2.407 -9.427 7.079 1.00 55.50 C ATOM 849 CD PRO A 53 1.625 -10.634 6.666 1.00 22.15 C ATOM 0 HA PRO A 53 3.127 -9.672 3.838 1.00 72.35 H new ATOM 0 HB2 PRO A 53 3.648 -8.087 5.964 1.00 72.45 H new ATOM 0 HB3 PRO A 53 1.985 -8.149 5.415 1.00 72.45 H new ATOM 0 HG2 PRO A 53 3.285 -9.709 7.661 1.00 55.50 H new ATOM 0 HG3 PRO A 53 1.807 -8.767 7.706 1.00 55.50 H new ATOM 0 HD2 PRO A 53 1.791 -11.474 7.341 1.00 22.15 H new ATOM 0 HD3 PRO A 53 0.553 -10.438 6.660 1.00 22.15 H new ATOM 857 N LYS A 54 4.699 -11.688 5.162 1.00 22.01 N ATOM 858 CA LYS A 54 5.932 -12.330 5.435 1.00 54.44 C ATOM 859 C LYS A 54 6.331 -13.168 4.209 1.00 12.11 C ATOM 860 O LYS A 54 7.383 -13.829 4.186 1.00 45.43 O ATOM 861 CB LYS A 54 5.746 -13.181 6.692 1.00 0.31 C ATOM 862 CG LYS A 54 5.341 -12.353 7.932 1.00 14.31 C ATOM 863 CD LYS A 54 5.000 -13.221 9.144 1.00 42.41 C ATOM 864 CE LYS A 54 3.808 -14.130 8.853 1.00 24.14 C ATOM 865 NZ LYS A 54 3.493 -15.037 9.974 1.00 52.21 N ATOM 0 H LYS A 54 3.945 -12.331 4.922 1.00 22.01 H new ATOM 0 HA LYS A 54 6.736 -11.618 5.620 1.00 54.44 H new ATOM 0 HB2 LYS A 54 4.983 -13.936 6.502 1.00 0.31 H new ATOM 0 HB3 LYS A 54 6.674 -13.712 6.905 1.00 0.31 H new ATOM 0 HG2 LYS A 54 6.156 -11.678 8.193 1.00 14.31 H new ATOM 0 HG3 LYS A 54 4.480 -11.732 7.683 1.00 14.31 H new ATOM 0 HD2 LYS A 54 5.865 -13.826 9.416 1.00 42.41 H new ATOM 0 HD3 LYS A 54 4.775 -12.584 9.999 1.00 42.41 H new ATOM 0 HE2 LYS A 54 2.935 -13.517 8.632 1.00 24.14 H new ATOM 0 HE3 LYS A 54 4.017 -14.721 7.961 1.00 24.14 H new ATOM 0 HZ1 LYS A 54 2.677 -15.630 9.722 1.00 52.21 H new ATOM 0 HZ2 LYS A 54 4.314 -15.644 10.171 1.00 52.21 H new ATOM 0 HZ3 LYS A 54 3.266 -14.477 10.820 1.00 52.21 H new ATOM 879 N LEU A 55 5.463 -13.120 3.191 1.00 34.44 N ATOM 880 CA LEU A 55 5.671 -13.771 1.901 1.00 63.40 C ATOM 881 C LEU A 55 6.822 -13.161 1.162 1.00 13.14 C ATOM 882 O LEU A 55 6.934 -11.953 1.098 1.00 34.21 O ATOM 883 CB LEU A 55 4.422 -13.631 1.043 1.00 3.31 C ATOM 884 CG LEU A 55 3.225 -14.419 1.492 1.00 61.21 C ATOM 885 CD1 LEU A 55 2.011 -14.039 0.654 1.00 35.52 C ATOM 886 CD2 LEU A 55 3.528 -15.875 1.314 1.00 61.30 C ATOM 0 H LEU A 55 4.578 -12.615 3.247 1.00 34.44 H new ATOM 0 HA LEU A 55 5.887 -14.822 2.094 1.00 63.40 H new ATOM 0 HB2 LEU A 55 4.146 -12.577 1.007 1.00 3.31 H new ATOM 0 HB3 LEU A 55 4.669 -13.931 0.025 1.00 3.31 H new ATOM 0 HG LEU A 55 3.006 -14.205 2.538 1.00 61.21 H new ATOM 0 HD11 LEU A 55 1.146 -14.614 0.985 1.00 35.52 H new ATOM 0 HD12 LEU A 55 1.806 -12.975 0.772 1.00 35.52 H new ATOM 0 HD13 LEU A 55 2.211 -14.256 -0.395 1.00 35.52 H new ATOM 0 HD21 LEU A 55 2.671 -16.467 1.635 1.00 61.30 H new ATOM 0 HD22 LEU A 55 3.736 -16.077 0.263 1.00 61.30 H new ATOM 0 HD23 LEU A 55 4.398 -16.142 1.914 1.00 61.30 H new ATOM 898 N LYS A 56 7.646 -14.001 0.543 1.00 72.01 N ATOM 899 CA LYS A 56 8.815 -13.525 -0.170 1.00 34.14 C ATOM 900 C LYS A 56 8.451 -12.538 -1.277 1.00 54.13 C ATOM 901 O LYS A 56 9.142 -11.540 -1.460 1.00 64.31 O ATOM 902 CB LYS A 56 9.649 -14.672 -0.723 1.00 53.42 C ATOM 903 CG LYS A 56 10.935 -14.199 -1.384 1.00 31.52 C ATOM 904 CD LYS A 56 11.750 -15.356 -1.866 1.00 42.50 C ATOM 905 CE LYS A 56 13.019 -14.894 -2.583 1.00 33.52 C ATOM 906 NZ LYS A 56 13.837 -16.034 -3.049 1.00 34.42 N ATOM 0 H LYS A 56 7.522 -15.013 0.524 1.00 72.01 H new ATOM 0 HA LYS A 56 9.423 -12.992 0.560 1.00 34.14 H new ATOM 0 HB2 LYS A 56 9.893 -15.361 0.086 1.00 53.42 H new ATOM 0 HB3 LYS A 56 9.056 -15.230 -1.448 1.00 53.42 H new ATOM 0 HG2 LYS A 56 10.697 -13.544 -2.222 1.00 31.52 H new ATOM 0 HG3 LYS A 56 11.517 -13.611 -0.675 1.00 31.52 H new ATOM 0 HD2 LYS A 56 12.020 -15.989 -1.020 1.00 42.50 H new ATOM 0 HD3 LYS A 56 11.151 -15.966 -2.542 1.00 42.50 H new ATOM 0 HE2 LYS A 56 12.748 -14.270 -3.435 1.00 33.52 H new ATOM 0 HE3 LYS A 56 13.611 -14.274 -1.910 1.00 33.52 H new ATOM 0 HZ1 LYS A 56 14.688 -15.677 -3.529 1.00 34.42 H new ATOM 0 HZ2 LYS A 56 14.118 -16.616 -2.234 1.00 34.42 H new ATOM 0 HZ3 LYS A 56 13.282 -16.612 -3.712 1.00 34.42 H new ATOM 920 N TRP A 57 7.347 -12.788 -1.997 1.00 52.03 N ATOM 921 CA TRP A 57 6.965 -11.864 -3.056 1.00 33.53 C ATOM 922 C TRP A 57 6.479 -10.540 -2.481 1.00 14.53 C ATOM 923 O TRP A 57 6.600 -9.513 -3.122 1.00 14.42 O ATOM 924 CB TRP A 57 5.968 -12.455 -4.088 1.00 15.32 C ATOM 925 CG TRP A 57 4.559 -12.702 -3.617 1.00 65.43 C ATOM 926 CD1 TRP A 57 4.057 -13.834 -3.044 1.00 35.43 C ATOM 927 CD2 TRP A 57 3.457 -11.787 -3.726 1.00 52.31 C ATOM 928 NE1 TRP A 57 2.718 -13.677 -2.793 1.00 54.44 N ATOM 929 CE2 TRP A 57 2.330 -12.426 -3.193 1.00 4.13 C ATOM 930 CE3 TRP A 57 3.322 -10.482 -4.222 1.00 52.01 C ATOM 931 CZ2 TRP A 57 1.085 -11.812 -3.134 1.00 54.32 C ATOM 932 CZ3 TRP A 57 2.082 -9.876 -4.165 1.00 34.23 C ATOM 933 CH2 TRP A 57 0.980 -10.541 -3.622 1.00 41.44 C ATOM 0 H TRP A 57 6.730 -13.590 -1.869 1.00 52.03 H new ATOM 0 HA TRP A 57 7.874 -11.674 -3.627 1.00 33.53 H new ATOM 0 HB2 TRP A 57 5.926 -11.780 -4.942 1.00 15.32 H new ATOM 0 HB3 TRP A 57 6.375 -13.400 -4.449 1.00 15.32 H new ATOM 0 HD1 TRP A 57 4.629 -14.722 -2.821 1.00 35.43 H new ATOM 0 HE1 TRP A 57 2.108 -14.380 -2.375 1.00 54.44 H new ATOM 0 HE3 TRP A 57 4.171 -9.961 -4.640 1.00 52.01 H new ATOM 0 HZ2 TRP A 57 0.230 -12.322 -2.717 1.00 54.32 H new ATOM 0 HZ3 TRP A 57 1.963 -8.873 -4.546 1.00 34.23 H new ATOM 0 HH2 TRP A 57 0.024 -10.039 -3.587 1.00 41.44 H new ATOM 944 N ILE A 58 5.937 -10.573 -1.259 1.00 51.25 N ATOM 945 CA ILE A 58 5.527 -9.350 -0.577 1.00 53.31 C ATOM 946 C ILE A 58 6.771 -8.590 -0.128 1.00 0.02 C ATOM 947 O ILE A 58 6.881 -7.383 -0.351 1.00 64.45 O ATOM 948 CB ILE A 58 4.581 -9.611 0.667 1.00 44.45 C ATOM 949 CG1 ILE A 58 3.215 -10.209 0.238 1.00 71.04 C ATOM 950 CG2 ILE A 58 4.368 -8.326 1.470 1.00 22.01 C ATOM 951 CD1 ILE A 58 2.392 -9.279 -0.589 1.00 52.12 C ATOM 0 H ILE A 58 5.775 -11.429 -0.728 1.00 51.25 H new ATOM 0 HA ILE A 58 4.946 -8.763 -1.289 1.00 53.31 H new ATOM 0 HB ILE A 58 5.081 -10.343 1.302 1.00 44.45 H new ATOM 0 HG12 ILE A 58 3.389 -11.126 -0.325 1.00 71.04 H new ATOM 0 HG13 ILE A 58 2.652 -10.485 1.130 1.00 71.04 H new ATOM 0 HG21 ILE A 58 3.715 -8.531 2.319 1.00 22.01 H new ATOM 0 HG22 ILE A 58 5.329 -7.959 1.832 1.00 22.01 H new ATOM 0 HG23 ILE A 58 3.908 -7.571 0.833 1.00 22.01 H new ATOM 0 HD11 ILE A 58 1.451 -9.762 -0.853 1.00 52.12 H new ATOM 0 HD12 ILE A 58 2.187 -8.372 -0.021 1.00 52.12 H new ATOM 0 HD13 ILE A 58 2.936 -9.023 -1.498 1.00 52.12 H new ATOM 963 N GLN A 59 7.720 -9.318 0.467 1.00 41.21 N ATOM 964 CA GLN A 59 8.955 -8.720 0.983 1.00 3.30 C ATOM 965 C GLN A 59 9.721 -8.061 -0.140 1.00 50.25 C ATOM 966 O GLN A 59 10.096 -6.892 -0.046 1.00 13.22 O ATOM 967 CB GLN A 59 9.857 -9.766 1.670 1.00 45.41 C ATOM 968 CG GLN A 59 9.137 -10.684 2.650 1.00 53.32 C ATOM 969 CD GLN A 59 8.203 -9.958 3.587 1.00 42.03 C ATOM 970 OE1 GLN A 59 7.048 -9.775 3.270 1.00 15.30 O ATOM 971 NE2 GLN A 59 8.675 -9.560 4.731 1.00 42.23 N ATOM 0 H GLN A 59 7.656 -10.327 0.604 1.00 41.21 H new ATOM 0 HA GLN A 59 8.670 -7.976 1.727 1.00 3.30 H new ATOM 0 HB2 GLN A 59 10.331 -10.377 0.902 1.00 45.41 H new ATOM 0 HB3 GLN A 59 10.655 -9.246 2.200 1.00 45.41 H new ATOM 0 HG2 GLN A 59 8.570 -11.427 2.089 1.00 53.32 H new ATOM 0 HG3 GLN A 59 9.878 -11.226 3.238 1.00 53.32 H new ATOM 0 HE21 GLN A 59 9.653 -9.730 4.966 1.00 42.23 H new ATOM 0 HE22 GLN A 59 8.068 -9.077 5.393 1.00 42.23 H new ATOM 980 N GLU A 60 9.922 -8.812 -1.221 1.00 64.15 N ATOM 981 CA GLU A 60 10.586 -8.297 -2.399 1.00 3.41 C ATOM 982 C GLU A 60 9.833 -7.101 -2.949 1.00 12.24 C ATOM 983 O GLU A 60 10.440 -6.106 -3.305 1.00 31.13 O ATOM 984 CB GLU A 60 10.710 -9.381 -3.479 1.00 3.11 C ATOM 985 CG GLU A 60 11.692 -10.501 -3.162 1.00 20.43 C ATOM 986 CD GLU A 60 13.129 -10.021 -3.120 1.00 32.34 C ATOM 987 OE1 GLU A 60 13.716 -9.803 -4.197 1.00 10.42 O ATOM 988 OE2 GLU A 60 13.689 -9.851 -2.033 1.00 42.01 O ATOM 0 H GLU A 60 9.629 -9.786 -1.297 1.00 64.15 H new ATOM 0 HA GLU A 60 11.589 -7.983 -2.110 1.00 3.41 H new ATOM 0 HB2 GLU A 60 9.726 -9.819 -3.647 1.00 3.11 H new ATOM 0 HB3 GLU A 60 11.012 -8.908 -4.413 1.00 3.11 H new ATOM 0 HG2 GLU A 60 11.433 -10.945 -2.201 1.00 20.43 H new ATOM 0 HG3 GLU A 60 11.597 -11.286 -3.912 1.00 20.43 H new ATOM 995 N TYR A 61 8.505 -7.195 -2.978 1.00 2.43 N ATOM 996 CA TYR A 61 7.670 -6.132 -3.516 1.00 21.11 C ATOM 997 C TYR A 61 7.885 -4.841 -2.720 1.00 52.23 C ATOM 998 O TYR A 61 8.124 -3.771 -3.307 1.00 62.40 O ATOM 999 CB TYR A 61 6.192 -6.538 -3.499 1.00 15.32 C ATOM 1000 CG TYR A 61 5.316 -5.626 -4.302 1.00 74.10 C ATOM 1001 CD1 TYR A 61 5.197 -5.818 -5.670 1.00 2.14 C ATOM 1002 CD2 TYR A 61 4.629 -4.571 -3.718 1.00 42.40 C ATOM 1003 CE1 TYR A 61 4.426 -4.997 -6.441 1.00 73.43 C ATOM 1004 CE2 TYR A 61 3.851 -3.726 -4.485 1.00 51.14 C ATOM 1005 CZ TYR A 61 3.752 -3.948 -5.854 1.00 44.14 C ATOM 1006 OH TYR A 61 3.009 -3.099 -6.639 1.00 41.45 O ATOM 0 H TYR A 61 7.986 -8.002 -2.633 1.00 2.43 H new ATOM 0 HA TYR A 61 7.958 -5.956 -4.553 1.00 21.11 H new ATOM 0 HB2 TYR A 61 6.097 -7.553 -3.884 1.00 15.32 H new ATOM 0 HB3 TYR A 61 5.839 -6.554 -2.468 1.00 15.32 H new ATOM 0 HD1 TYR A 61 5.726 -6.636 -6.136 1.00 2.14 H new ATOM 0 HD2 TYR A 61 4.704 -4.409 -2.653 1.00 42.40 H new ATOM 0 HE1 TYR A 61 4.345 -5.168 -7.504 1.00 73.43 H new ATOM 0 HE2 TYR A 61 3.325 -2.902 -4.026 1.00 51.14 H new ATOM 0 HH TYR A 61 2.055 -3.249 -6.471 1.00 41.45 H new ATOM 1016 N LEU A 62 7.814 -4.957 -1.388 1.00 71.03 N ATOM 1017 CA LEU A 62 8.084 -3.839 -0.479 1.00 10.51 C ATOM 1018 C LEU A 62 9.453 -3.243 -0.782 1.00 14.05 C ATOM 1019 O LEU A 62 9.576 -2.045 -1.013 1.00 54.43 O ATOM 1020 CB LEU A 62 8.077 -4.322 0.987 1.00 20.44 C ATOM 1021 CG LEU A 62 6.750 -4.826 1.561 1.00 34.24 C ATOM 1022 CD1 LEU A 62 6.987 -5.459 2.923 1.00 31.21 C ATOM 1023 CD2 LEU A 62 5.782 -3.671 1.719 1.00 64.23 C ATOM 0 H LEU A 62 7.569 -5.826 -0.913 1.00 71.03 H new ATOM 0 HA LEU A 62 7.306 -3.089 -0.622 1.00 10.51 H new ATOM 0 HB2 LEU A 62 8.809 -5.124 1.080 1.00 20.44 H new ATOM 0 HB3 LEU A 62 8.423 -3.500 1.613 1.00 20.44 H new ATOM 0 HG LEU A 62 6.330 -5.564 0.877 1.00 34.24 H new ATOM 0 HD11 LEU A 62 6.040 -5.816 3.328 1.00 31.21 H new ATOM 0 HD12 LEU A 62 7.677 -6.297 2.820 1.00 31.21 H new ATOM 0 HD13 LEU A 62 7.414 -4.718 3.599 1.00 31.21 H new ATOM 0 HD21 LEU A 62 4.841 -4.038 2.128 1.00 64.23 H new ATOM 0 HD22 LEU A 62 6.207 -2.930 2.396 1.00 64.23 H new ATOM 0 HD23 LEU A 62 5.601 -3.212 0.747 1.00 64.23 H new ATOM 1035 N GLU A 63 10.457 -4.112 -0.837 1.00 61.30 N ATOM 1036 CA GLU A 63 11.845 -3.724 -1.062 1.00 14.21 C ATOM 1037 C GLU A 63 12.084 -2.975 -2.376 1.00 1.52 C ATOM 1038 O GLU A 63 12.866 -2.021 -2.413 1.00 35.44 O ATOM 1039 CB GLU A 63 12.777 -4.925 -0.944 1.00 4.14 C ATOM 1040 CG GLU A 63 12.879 -5.473 0.468 1.00 74.42 C ATOM 1041 CD GLU A 63 13.817 -6.646 0.570 1.00 45.04 C ATOM 1042 OE1 GLU A 63 15.044 -6.468 0.351 1.00 25.45 O ATOM 1043 OE2 GLU A 63 13.368 -7.761 0.853 1.00 53.12 O ATOM 0 H GLU A 63 10.328 -5.118 -0.725 1.00 61.30 H new ATOM 0 HA GLU A 63 12.078 -3.011 -0.271 1.00 14.21 H new ATOM 0 HB2 GLU A 63 12.425 -5.715 -1.608 1.00 4.14 H new ATOM 0 HB3 GLU A 63 13.771 -4.639 -1.287 1.00 4.14 H new ATOM 0 HG2 GLU A 63 13.219 -4.682 1.137 1.00 74.42 H new ATOM 0 HG3 GLU A 63 11.888 -5.774 0.809 1.00 74.42 H new ATOM 1050 N LYS A 64 11.414 -3.381 -3.442 1.00 31.42 N ATOM 1051 CA LYS A 64 11.633 -2.727 -4.734 1.00 43.31 C ATOM 1052 C LYS A 64 10.890 -1.386 -4.762 1.00 12.23 C ATOM 1053 O LYS A 64 11.320 -0.438 -5.419 1.00 55.04 O ATOM 1054 CB LYS A 64 11.150 -3.592 -5.923 1.00 21.41 C ATOM 1055 CG LYS A 64 11.477 -5.075 -5.839 1.00 63.55 C ATOM 1056 CD LYS A 64 12.950 -5.385 -5.599 1.00 64.02 C ATOM 1057 CE LYS A 64 13.109 -6.887 -5.395 1.00 23.51 C ATOM 1058 NZ LYS A 64 14.490 -7.298 -5.081 1.00 4.32 N ATOM 0 H LYS A 64 10.731 -4.138 -3.448 1.00 31.42 H new ATOM 0 HA LYS A 64 12.707 -2.578 -4.843 1.00 43.31 H new ATOM 0 HB2 LYS A 64 10.069 -3.482 -6.012 1.00 21.41 H new ATOM 0 HB3 LYS A 64 11.588 -3.194 -6.839 1.00 21.41 H new ATOM 0 HG2 LYS A 64 10.890 -5.519 -5.035 1.00 63.55 H new ATOM 0 HG3 LYS A 64 11.164 -5.556 -6.765 1.00 63.55 H new ATOM 0 HD2 LYS A 64 13.548 -5.054 -6.448 1.00 64.02 H new ATOM 0 HD3 LYS A 64 13.312 -4.845 -4.724 1.00 64.02 H new ATOM 0 HE2 LYS A 64 12.451 -7.207 -4.587 1.00 23.51 H new ATOM 0 HE3 LYS A 64 12.781 -7.404 -6.297 1.00 23.51 H new ATOM 0 HZ1 LYS A 64 14.489 -8.275 -4.725 1.00 4.32 H new ATOM 0 HZ2 LYS A 64 15.073 -7.243 -5.941 1.00 4.32 H new ATOM 0 HZ3 LYS A 64 14.884 -6.666 -4.355 1.00 4.32 H new ATOM 1072 N CYS A 65 9.773 -1.328 -4.028 1.00 12.21 N ATOM 1073 CA CYS A 65 8.907 -0.144 -3.953 1.00 72.41 C ATOM 1074 C CYS A 65 9.648 1.077 -3.397 1.00 51.14 C ATOM 1075 O CYS A 65 9.331 2.205 -3.774 1.00 11.13 O ATOM 1076 CB CYS A 65 7.634 -0.443 -3.130 1.00 31.12 C ATOM 1077 SG CYS A 65 6.437 0.941 -2.997 1.00 35.23 S ATOM 0 H CYS A 65 9.441 -2.110 -3.463 1.00 12.21 H new ATOM 0 HA CYS A 65 8.606 0.101 -4.972 1.00 72.41 H new ATOM 0 HB2 CYS A 65 7.126 -1.298 -3.576 1.00 31.12 H new ATOM 0 HB3 CYS A 65 7.933 -0.739 -2.125 1.00 31.12 H new ATOM 1082 N LEU A 66 10.665 0.829 -2.526 1.00 0.31 N ATOM 1083 CA LEU A 66 11.523 1.905 -1.959 1.00 64.13 C ATOM 1084 C LEU A 66 11.998 2.884 -3.011 1.00 22.22 C ATOM 1085 O LEU A 66 12.123 4.079 -2.736 1.00 14.11 O ATOM 1086 CB LEU A 66 12.765 1.351 -1.213 1.00 51.32 C ATOM 1087 CG LEU A 66 12.607 0.869 0.239 1.00 43.24 C ATOM 1088 CD1 LEU A 66 12.153 1.999 1.122 1.00 41.52 C ATOM 1089 CD2 LEU A 66 11.674 -0.298 0.351 1.00 30.51 C ATOM 0 H LEU A 66 10.910 -0.107 -2.202 1.00 0.31 H new ATOM 0 HA LEU A 66 10.880 2.423 -1.248 1.00 64.13 H new ATOM 0 HB2 LEU A 66 13.155 0.517 -1.796 1.00 51.32 H new ATOM 0 HB3 LEU A 66 13.528 2.129 -1.221 1.00 51.32 H new ATOM 0 HG LEU A 66 13.586 0.529 0.575 1.00 43.24 H new ATOM 0 HD11 LEU A 66 12.046 1.640 2.146 1.00 41.52 H new ATOM 0 HD12 LEU A 66 12.890 2.802 1.094 1.00 41.52 H new ATOM 0 HD13 LEU A 66 11.193 2.375 0.767 1.00 41.52 H new ATOM 0 HD21 LEU A 66 11.595 -0.602 1.395 1.00 30.51 H new ATOM 0 HD22 LEU A 66 10.689 -0.013 -0.019 1.00 30.51 H new ATOM 0 HD23 LEU A 66 12.058 -1.129 -0.241 1.00 30.51 H new ATOM 1101 N ASN A 67 12.282 2.382 -4.198 1.00 44.34 N ATOM 1102 CA ASN A 67 12.719 3.229 -5.270 1.00 34.04 C ATOM 1103 C ASN A 67 12.669 2.476 -6.579 1.00 15.25 C ATOM 1104 O ASN A 67 13.566 1.670 -6.875 1.00 13.30 O ATOM 1105 CB ASN A 67 14.148 3.749 -5.009 1.00 12.22 C ATOM 1106 CG ASN A 67 14.575 4.850 -5.971 1.00 65.11 C ATOM 1107 OD1 ASN A 67 14.167 4.905 -7.134 1.00 42.55 O ATOM 1108 ND2 ASN A 67 15.382 5.740 -5.495 1.00 20.41 N ATOM 0 H ASN A 67 12.215 1.392 -4.435 1.00 44.34 H new ATOM 0 HA ASN A 67 12.048 4.086 -5.327 1.00 34.04 H new ATOM 0 HB2 ASN A 67 14.209 4.125 -3.988 1.00 12.22 H new ATOM 0 HB3 ASN A 67 14.849 2.918 -5.085 1.00 12.22 H new ATOM 0 HD21 ASN A 67 15.696 6.511 -6.084 1.00 20.41 H new ATOM 0 HD22 ASN A 67 15.705 5.672 -4.530 1.00 20.41 H new ATOM 1115 N LYS A 68 11.599 2.681 -7.330 1.00 62.40 N ATOM 1116 CA LYS A 68 11.472 2.136 -8.671 1.00 40.51 C ATOM 1117 C LYS A 68 10.427 2.910 -9.444 1.00 3.44 C ATOM 1118 O LYS A 68 9.469 3.429 -8.839 1.00 72.34 O ATOM 1119 CB LYS A 68 11.137 0.645 -8.691 1.00 74.41 C ATOM 1120 CG LYS A 68 9.750 0.265 -8.279 1.00 65.23 C ATOM 1121 CD LYS A 68 9.586 -1.205 -8.472 1.00 41.32 C ATOM 1122 CE LYS A 68 8.141 -1.624 -8.371 1.00 32.30 C ATOM 1123 NZ LYS A 68 7.345 -1.099 -9.509 1.00 70.22 N ATOM 0 H LYS A 68 10.794 3.230 -7.027 1.00 62.40 H new ATOM 0 HA LYS A 68 12.448 2.242 -9.144 1.00 40.51 H new ATOM 0 HB2 LYS A 68 11.307 0.271 -9.701 1.00 74.41 H new ATOM 0 HB3 LYS A 68 11.840 0.129 -8.037 1.00 74.41 H new ATOM 0 HG2 LYS A 68 9.578 0.532 -7.236 1.00 65.23 H new ATOM 0 HG3 LYS A 68 9.016 0.809 -8.873 1.00 65.23 H new ATOM 0 HD2 LYS A 68 9.980 -1.490 -9.448 1.00 41.32 H new ATOM 0 HD3 LYS A 68 10.172 -1.738 -7.723 1.00 41.32 H new ATOM 0 HE2 LYS A 68 8.076 -2.712 -8.351 1.00 32.30 H new ATOM 0 HE3 LYS A 68 7.720 -1.262 -7.433 1.00 32.30 H new ATOM 0 HZ1 LYS A 68 6.341 -1.332 -9.367 1.00 70.22 H new ATOM 0 HZ2 LYS A 68 7.456 -0.066 -9.564 1.00 70.22 H new ATOM 0 HZ3 LYS A 68 7.679 -1.530 -10.394 1.00 70.22 H new ATOM 1207 N ILE B 106 2.223 4.666 14.419 1.00 72.32 N ATOM 1208 CA ILE B 106 1.720 4.077 13.197 1.00 21.23 C ATOM 1209 C ILE B 106 0.584 4.948 12.671 1.00 51.12 C ATOM 1210 O ILE B 106 0.470 6.118 13.086 1.00 0.23 O ATOM 1211 CB ILE B 106 1.210 2.632 13.438 1.00 62.52 C ATOM 1212 CG1 ILE B 106 0.038 2.600 14.444 1.00 60.52 C ATOM 1213 CG2 ILE B 106 2.355 1.745 13.908 1.00 43.11 C ATOM 1214 CD1 ILE B 106 -0.558 1.218 14.659 1.00 10.43 C ATOM 0 HA ILE B 106 2.528 4.025 12.468 1.00 21.23 H new ATOM 0 HB ILE B 106 0.831 2.246 12.492 1.00 62.52 H new ATOM 0 HG12 ILE B 106 0.385 2.987 15.402 1.00 60.52 H new ATOM 0 HG13 ILE B 106 -0.746 3.271 14.094 1.00 60.52 H new ATOM 0 HG21 ILE B 106 1.986 0.733 14.074 1.00 43.11 H new ATOM 0 HG22 ILE B 106 3.136 1.726 13.148 1.00 43.11 H new ATOM 0 HG23 ILE B 106 2.763 2.140 14.838 1.00 43.11 H new ATOM 0 HD11 ILE B 106 -1.374 1.282 15.378 1.00 10.43 H new ATOM 0 HD12 ILE B 106 -0.938 0.834 13.712 1.00 10.43 H new ATOM 0 HD13 ILE B 106 0.210 0.546 15.041 1.00 10.43 H new ATOM 1226 N TYR B 107 -0.232 4.427 11.730 1.00 23.23 N ATOM 1227 CA TYR B 107 -1.384 5.178 11.300 1.00 23.34 C ATOM 1228 C TYR B 107 -2.204 5.327 12.554 1.00 52.15 C ATOM 1229 O TYR B 107 -2.634 4.323 13.131 1.00 74.24 O ATOM 1230 CB TYR B 107 -2.228 4.433 10.275 1.00 15.23 C ATOM 1231 CG TYR B 107 -1.509 3.735 9.159 1.00 35.43 C ATOM 1232 CD1 TYR B 107 -0.617 4.396 8.361 1.00 31.13 C ATOM 1233 CD2 TYR B 107 -1.802 2.413 8.864 1.00 40.45 C ATOM 1234 CE1 TYR B 107 -0.031 3.781 7.302 1.00 1.23 C ATOM 1235 CE2 TYR B 107 -1.208 1.780 7.812 1.00 52.34 C ATOM 1236 CZ TYR B 107 -0.329 2.466 7.027 1.00 34.34 C ATOM 1237 OH TYR B 107 0.239 1.848 5.950 1.00 52.22 O ATOM 0 H TYR B 107 -0.105 3.521 11.279 1.00 23.23 H new ATOM 0 HA TYR B 107 -1.077 6.113 10.830 1.00 23.34 H new ATOM 0 HB2 TYR B 107 -2.824 3.691 10.806 1.00 15.23 H new ATOM 0 HB3 TYR B 107 -2.925 5.145 9.832 1.00 15.23 H new ATOM 0 HD1 TYR B 107 -0.374 5.426 8.577 1.00 31.13 H new ATOM 0 HD2 TYR B 107 -2.511 1.876 9.476 1.00 40.45 H new ATOM 0 HE1 TYR B 107 0.666 4.321 6.678 1.00 1.23 H new ATOM 0 HE2 TYR B 107 -1.432 0.744 7.603 1.00 52.34 H new ATOM 0 HH TYR B 107 1.092 1.446 6.216 1.00 52.22 H new ATOM 1247 N THR B 108 -2.370 6.522 13.003 1.00 14.13 N ATOM 1248 CA THR B 108 -2.933 6.741 14.287 1.00 51.25 C ATOM 1249 C THR B 108 -4.450 6.506 14.320 1.00 22.20 C ATOM 1250 O THR B 108 -5.242 7.408 14.099 1.00 4.53 O ATOM 1251 CB THR B 108 -2.512 8.114 14.822 1.00 43.44 C ATOM 1252 OG1 THR B 108 -1.064 8.185 14.730 1.00 60.32 O ATOM 1253 CG2 THR B 108 -2.918 8.277 16.275 1.00 21.45 C ATOM 0 H THR B 108 -2.121 7.370 12.493 1.00 14.13 H new ATOM 0 HA THR B 108 -2.530 5.991 14.968 1.00 51.25 H new ATOM 0 HB THR B 108 -2.995 8.900 14.242 1.00 43.44 H new ATOM 0 HG1 THR B 108 -0.757 9.054 15.063 1.00 60.32 H new ATOM 0 HG21 THR B 108 -2.608 9.259 16.631 1.00 21.45 H new ATOM 0 HG22 THR B 108 -4.000 8.184 16.363 1.00 21.45 H new ATOM 0 HG23 THR B 108 -2.437 7.505 16.876 1.00 21.45 H new ATOM 1261 N SER B 109 -4.797 5.243 14.534 1.00 51.04 N ATOM 1262 CA SER B 109 -6.153 4.742 14.631 1.00 31.45 C ATOM 1263 C SER B 109 -6.911 4.857 13.302 1.00 1.23 C ATOM 1264 O SER B 109 -7.539 5.884 12.999 1.00 4.42 O ATOM 1265 CB SER B 109 -6.930 5.390 15.799 1.00 51.53 C ATOM 1266 OG SER B 109 -8.203 4.771 15.994 1.00 21.52 O ATOM 0 H SER B 109 -4.101 4.507 14.650 1.00 51.04 H new ATOM 0 HA SER B 109 -6.076 3.678 14.856 1.00 31.45 H new ATOM 0 HB2 SER B 109 -6.343 5.312 16.714 1.00 51.53 H new ATOM 0 HB3 SER B 109 -7.069 6.452 15.599 1.00 51.53 H new ATOM 0 HG SER B 109 -8.666 5.204 16.741 1.00 21.52 H new ATOM 1272 N ASP B 110 -6.805 3.817 12.486 1.00 75.44 N ATOM 1273 CA ASP B 110 -7.557 3.742 11.232 1.00 64.13 C ATOM 1274 C ASP B 110 -9.008 3.515 11.522 1.00 20.54 C ATOM 1275 O ASP B 110 -9.864 4.171 10.951 1.00 42.44 O ATOM 1276 CB ASP B 110 -7.057 2.584 10.331 1.00 53.52 C ATOM 1277 CG ASP B 110 -7.915 2.393 9.051 1.00 24.23 C ATOM 1278 OD1 ASP B 110 -8.916 1.685 9.087 1.00 75.12 O ATOM 1279 OD2 ASP B 110 -7.590 2.953 8.007 1.00 45.34 O ATOM 0 H ASP B 110 -6.206 3.011 12.666 1.00 75.44 H new ATOM 0 HA ASP B 110 -7.409 4.687 10.709 1.00 64.13 H new ATOM 0 HB2 ASP B 110 -6.024 2.776 10.043 1.00 53.52 H new ATOM 0 HB3 ASP B 110 -7.061 1.657 10.905 1.00 53.52 H new ATOM 1284 N ASN B 111 -9.258 2.622 12.477 1.00 55.31 N ATOM 1285 CA ASN B 111 -10.592 2.089 12.754 1.00 12.44 C ATOM 1286 C ASN B 111 -10.979 1.312 11.522 1.00 44.45 C ATOM 1287 O ASN B 111 -11.720 1.797 10.652 1.00 41.41 O ATOM 1288 CB ASN B 111 -11.646 3.181 13.097 1.00 71.43 C ATOM 1289 CG ASN B 111 -12.983 2.614 13.578 1.00 53.34 C ATOM 1290 OD1 ASN B 111 -13.372 1.503 13.244 1.00 3.34 O ATOM 1291 ND2 ASN B 111 -13.692 3.380 14.357 1.00 55.35 N ATOM 0 H ASN B 111 -8.533 2.244 13.087 1.00 55.31 H new ATOM 0 HA ASN B 111 -10.567 1.464 13.647 1.00 12.44 H new ATOM 0 HB2 ASN B 111 -11.240 3.836 13.868 1.00 71.43 H new ATOM 0 HB3 ASN B 111 -11.819 3.797 12.214 1.00 71.43 H new ATOM 0 HD21 ASN B 111 -14.595 3.058 14.704 1.00 55.35 H new ATOM 0 HD22 ASN B 111 -13.344 4.302 14.620 1.00 55.35 H new ATOM 1417 N TYR B 121 -4.994 -19.249 2.792 1.00 15.42 N ATOM 1418 CA TYR B 121 -4.732 -19.703 1.447 1.00 74.14 C ATOM 1419 C TYR B 121 -3.881 -20.987 1.467 1.00 74.21 C ATOM 1420 O TYR B 121 -4.379 -22.074 1.154 1.00 43.14 O ATOM 1421 CB TYR B 121 -4.007 -18.599 0.703 1.00 73.41 C ATOM 1422 CG TYR B 121 -4.360 -18.415 -0.750 1.00 41.33 C ATOM 1423 CD1 TYR B 121 -5.380 -17.557 -1.095 1.00 64.52 C ATOM 1424 CD2 TYR B 121 -3.671 -19.045 -1.756 1.00 14.35 C ATOM 1425 CE1 TYR B 121 -5.725 -17.319 -2.397 1.00 72.51 C ATOM 1426 CE2 TYR B 121 -3.997 -18.814 -3.084 1.00 21.24 C ATOM 1427 CZ TYR B 121 -5.029 -17.946 -3.395 1.00 54.12 C ATOM 1428 OH TYR B 121 -5.350 -17.700 -4.708 1.00 53.12 O ATOM 0 HA TYR B 121 -5.671 -19.935 0.945 1.00 74.14 H new ATOM 0 HB2 TYR B 121 -4.197 -17.659 1.221 1.00 73.41 H new ATOM 0 HB3 TYR B 121 -2.936 -18.790 0.771 1.00 73.41 H new ATOM 0 HD1 TYR B 121 -5.927 -17.055 -0.311 1.00 64.52 H new ATOM 0 HD2 TYR B 121 -2.869 -19.726 -1.512 1.00 14.35 H new ATOM 0 HE1 TYR B 121 -6.535 -16.646 -2.634 1.00 72.51 H new ATOM 0 HE2 TYR B 121 -3.448 -19.309 -3.872 1.00 21.24 H new ATOM 0 HH TYR B 121 -4.761 -18.222 -5.292 1.00 53.12 H new ATOM 1438 N ASP B 122 -2.611 -20.861 1.861 1.00 73.45 N ATOM 1439 CA ASP B 122 -1.681 -22.001 1.886 1.00 34.24 C ATOM 1440 C ASP B 122 -0.412 -21.688 2.672 1.00 54.33 C ATOM 1441 O ASP B 122 0.236 -20.670 2.435 1.00 32.03 O ATOM 1442 CB ASP B 122 -1.291 -22.405 0.452 1.00 62.12 C ATOM 1443 CG ASP B 122 -0.188 -23.442 0.405 1.00 44.44 C ATOM 1444 OD1 ASP B 122 -0.487 -24.657 0.444 1.00 64.32 O ATOM 1445 OD2 ASP B 122 1.004 -23.050 0.311 1.00 12.12 O ATOM 0 H ASP B 122 -2.199 -19.980 2.168 1.00 73.45 H new ATOM 0 HA ASP B 122 -2.200 -22.822 2.381 1.00 34.24 H new ATOM 0 HB2 ASP B 122 -2.170 -22.795 -0.061 1.00 62.12 H new ATOM 0 HB3 ASP B 122 -0.971 -21.518 -0.094 1.00 62.12 H new ATOM 1450 N SER B 123 -0.064 -22.574 3.603 1.00 65.32 N ATOM 1451 CA SER B 123 1.187 -22.491 4.367 1.00 2.22 C ATOM 1452 C SER B 123 1.277 -21.172 5.177 1.00 35.50 C ATOM 1453 O SER B 123 0.258 -20.621 5.595 1.00 64.31 O ATOM 1454 CB SER B 123 2.364 -22.601 3.385 1.00 62.10 C ATOM 1455 OG SER B 123 2.245 -23.758 2.589 1.00 51.11 O ATOM 0 H SER B 123 -0.643 -23.376 3.853 1.00 65.32 H new ATOM 0 HA SER B 123 1.219 -23.308 5.087 1.00 2.22 H new ATOM 0 HB2 SER B 123 2.396 -21.717 2.748 1.00 62.10 H new ATOM 0 HB3 SER B 123 3.303 -22.629 3.938 1.00 62.10 H new ATOM 0 HG SER B 123 2.082 -23.499 1.658 1.00 51.11 H new ATOM 1461 N MET B 124 2.492 -20.724 5.431 1.00 31.41 N ATOM 1462 CA MET B 124 2.790 -19.486 6.134 1.00 63.44 C ATOM 1463 C MET B 124 4.235 -19.219 5.844 1.00 13.21 C ATOM 1464 O MET B 124 4.890 -20.096 5.268 1.00 13.42 O ATOM 1465 CB MET B 124 2.603 -19.668 7.647 1.00 2.40 C ATOM 1466 CG MET B 124 3.523 -20.722 8.245 1.00 61.30 C ATOM 1467 SD MET B 124 3.280 -20.960 10.002 1.00 5.44 S ATOM 1468 CE MET B 124 4.493 -22.249 10.314 1.00 22.03 C ATOM 0 H MET B 124 3.330 -21.229 5.144 1.00 31.41 H new ATOM 0 HA MET B 124 2.135 -18.674 5.817 1.00 63.44 H new ATOM 0 HB2 MET B 124 2.781 -18.715 8.145 1.00 2.40 H new ATOM 0 HB3 MET B 124 1.568 -19.944 7.848 1.00 2.40 H new ATOM 0 HG2 MET B 124 3.361 -21.670 7.731 1.00 61.30 H new ATOM 0 HG3 MET B 124 4.559 -20.435 8.064 1.00 61.30 H new ATOM 0 HE1 MET B 124 4.474 -22.518 11.370 1.00 22.03 H new ATOM 0 HE2 MET B 124 4.255 -23.126 9.712 1.00 22.03 H new ATOM 0 HE3 MET B 124 5.486 -21.886 10.050 1.00 22.03 H new ATOM 1478 N LYS B 125 4.752 -18.066 6.183 1.00 13.33 N ATOM 1479 CA LYS B 125 6.143 -17.848 5.980 1.00 64.41 C ATOM 1480 C LYS B 125 6.644 -16.776 6.946 1.00 60.43 C ATOM 1481 O LYS B 125 5.846 -16.131 7.615 1.00 43.42 O ATOM 1482 CB LYS B 125 6.404 -17.435 4.531 1.00 73.33 C ATOM 1483 CG LYS B 125 7.786 -17.791 4.093 1.00 11.43 C ATOM 1484 CD LYS B 125 8.099 -17.323 2.691 1.00 34.13 C ATOM 1485 CE LYS B 125 9.452 -17.853 2.253 1.00 72.04 C ATOM 1486 NZ LYS B 125 10.528 -17.485 3.202 1.00 31.33 N ATOM 0 H LYS B 125 4.237 -17.286 6.591 1.00 13.33 H new ATOM 0 HA LYS B 125 6.685 -18.774 6.175 1.00 64.41 H new ATOM 0 HB2 LYS B 125 5.679 -17.922 3.878 1.00 73.33 H new ATOM 0 HB3 LYS B 125 6.255 -16.360 4.427 1.00 73.33 H new ATOM 0 HG2 LYS B 125 8.505 -17.353 4.785 1.00 11.43 H new ATOM 0 HG3 LYS B 125 7.911 -18.873 4.146 1.00 11.43 H new ATOM 0 HD2 LYS B 125 7.326 -17.666 2.004 1.00 34.13 H new ATOM 0 HD3 LYS B 125 8.097 -16.234 2.654 1.00 34.13 H new ATOM 0 HE2 LYS B 125 9.404 -18.938 2.163 1.00 72.04 H new ATOM 0 HE3 LYS B 125 9.692 -17.461 1.264 1.00 72.04 H new ATOM 0 HZ1 LYS B 125 11.454 -17.669 2.765 1.00 31.33 H new ATOM 0 HZ2 LYS B 125 10.452 -16.475 3.439 1.00 31.33 H new ATOM 0 HZ3 LYS B 125 10.435 -18.052 4.069 1.00 31.33 H new ATOM 1500 N GLU B 126 7.963 -16.642 7.053 1.00 54.30 N ATOM 1501 CA GLU B 126 8.621 -15.632 7.847 1.00 71.21 C ATOM 1502 C GLU B 126 9.918 -15.220 7.166 1.00 31.01 C ATOM 1503 O GLU B 126 10.730 -16.081 6.791 1.00 24.41 O ATOM 1504 CB GLU B 126 8.933 -16.128 9.262 1.00 34.31 C ATOM 1505 CG GLU B 126 7.717 -16.375 10.121 1.00 64.13 C ATOM 1506 CD GLU B 126 8.075 -16.861 11.482 1.00 61.14 C ATOM 1507 OE1 GLU B 126 8.513 -16.043 12.319 1.00 53.12 O ATOM 1508 OE2 GLU B 126 7.908 -18.066 11.752 1.00 65.10 O ATOM 0 H GLU B 126 8.617 -17.258 6.570 1.00 54.30 H new ATOM 0 HA GLU B 126 7.944 -14.782 7.930 1.00 71.21 H new ATOM 0 HB2 GLU B 126 9.506 -17.053 9.191 1.00 34.31 H new ATOM 0 HB3 GLU B 126 9.570 -15.395 9.758 1.00 34.31 H new ATOM 0 HG2 GLU B 126 7.142 -15.453 10.207 1.00 64.13 H new ATOM 0 HG3 GLU B 126 7.074 -17.108 9.634 1.00 64.13 H new ATOM 1515 N PRO B 127 10.118 -13.921 6.965 1.00 13.02 N ATOM 1516 CA PRO B 127 11.345 -13.380 6.381 1.00 35.24 C ATOM 1517 C PRO B 127 12.489 -13.388 7.391 1.00 31.42 C ATOM 1518 O PRO B 127 12.260 -13.458 8.603 1.00 52.10 O ATOM 1519 CB PRO B 127 10.956 -11.935 6.070 1.00 52.10 C ATOM 1520 CG PRO B 127 9.957 -11.610 7.112 1.00 42.11 C ATOM 1521 CD PRO B 127 9.152 -12.857 7.272 1.00 35.22 C ATOM 0 HA PRO B 127 11.690 -13.953 5.520 1.00 35.24 H new ATOM 0 HB2 PRO B 127 11.817 -11.269 6.119 1.00 52.10 H new ATOM 0 HB3 PRO B 127 10.536 -11.840 5.069 1.00 52.10 H new ATOM 0 HG2 PRO B 127 10.439 -11.328 8.048 1.00 42.11 H new ATOM 0 HG3 PRO B 127 9.330 -10.771 6.811 1.00 42.11 H new ATOM 0 HD2 PRO B 127 8.755 -12.953 8.282 1.00 35.22 H new ATOM 0 HD3 PRO B 127 8.301 -12.877 6.591 1.00 35.22 H new ATOM 1846 N CYS C 209 -0.427 8.003 -14.717 1.00 71.21 N ATOM 1847 CA CYS C 209 -0.501 7.734 -13.312 1.00 72.02 C ATOM 1848 C CYS C 209 -1.876 8.157 -12.828 1.00 74.41 C ATOM 1849 O CYS C 209 -2.390 9.194 -13.255 1.00 13.11 O ATOM 1850 CB CYS C 209 0.570 8.526 -12.544 1.00 34.44 C ATOM 1851 SG CYS C 209 2.282 8.189 -13.054 1.00 12.21 S ATOM 0 HA CYS C 209 -0.330 6.672 -13.136 1.00 72.02 H new ATOM 0 HB2 CYS C 209 0.372 9.591 -12.667 1.00 34.44 H new ATOM 0 HB3 CYS C 209 0.472 8.305 -11.481 1.00 34.44 H new ATOM 1856 N PRO C 210 -2.509 7.321 -11.973 1.00 52.51 N ATOM 1857 CA PRO C 210 -3.850 7.579 -11.421 1.00 15.05 C ATOM 1858 C PRO C 210 -3.942 8.937 -10.767 1.00 74.22 C ATOM 1859 O PRO C 210 -4.912 9.678 -10.960 1.00 2.54 O ATOM 1860 CB PRO C 210 -4.006 6.474 -10.371 1.00 44.24 C ATOM 1861 CG PRO C 210 -2.651 5.910 -10.174 1.00 54.33 C ATOM 1862 CD PRO C 210 -1.963 6.058 -11.477 1.00 34.11 C ATOM 0 HA PRO C 210 -4.623 7.576 -12.190 1.00 15.05 H new ATOM 0 HB2 PRO C 210 -4.402 6.874 -9.438 1.00 44.24 H new ATOM 0 HB3 PRO C 210 -4.703 5.708 -10.710 1.00 44.24 H new ATOM 0 HG2 PRO C 210 -2.116 6.441 -9.386 1.00 54.33 H new ATOM 0 HG3 PRO C 210 -2.702 4.863 -9.875 1.00 54.33 H new ATOM 0 HD2 PRO C 210 -0.880 6.100 -11.363 1.00 34.11 H new ATOM 0 HD3 PRO C 210 -2.181 5.228 -12.149 1.00 34.11 H new ATOM 1870 N CYS C 211 -2.935 9.264 -10.021 1.00 63.14 N ATOM 1871 CA CYS C 211 -2.869 10.516 -9.365 1.00 74.24 C ATOM 1872 C CYS C 211 -2.058 11.465 -10.217 1.00 31.54 C ATOM 1873 O CYS C 211 -0.914 11.159 -10.592 1.00 72.15 O ATOM 1874 CB CYS C 211 -2.215 10.327 -8.023 1.00 62.54 C ATOM 1875 SG CYS C 211 -3.016 9.032 -7.003 1.00 4.54 S ATOM 0 H CYS C 211 -2.131 8.659 -9.853 1.00 63.14 H new ATOM 0 HA CYS C 211 -3.867 10.929 -9.219 1.00 74.24 H new ATOM 0 HB2 CYS C 211 -1.167 10.067 -8.171 1.00 62.54 H new ATOM 0 HB3 CYS C 211 -2.236 11.272 -7.480 1.00 62.54 H new ATOM 1880 N ARG C 212 -2.638 12.602 -10.527 1.00 53.30 N ATOM 1881 CA ARG C 212 -1.990 13.586 -11.368 1.00 73.04 C ATOM 1882 C ARG C 212 -0.954 14.325 -10.548 1.00 1.54 C ATOM 1883 O ARG C 212 0.145 14.626 -11.012 1.00 51.53 O ATOM 1884 CB ARG C 212 -3.027 14.556 -11.924 1.00 20.10 C ATOM 1885 CG ARG C 212 -2.462 15.597 -12.871 1.00 23.12 C ATOM 1886 CD ARG C 212 -3.546 16.531 -13.374 1.00 73.45 C ATOM 1887 NE ARG C 212 -4.603 15.821 -14.098 1.00 62.13 N ATOM 1888 CZ ARG C 212 -5.497 16.387 -14.919 1.00 62.31 C ATOM 1889 NH1 ARG C 212 -5.443 17.691 -15.178 1.00 30.51 N ATOM 1890 NH2 ARG C 212 -6.437 15.634 -15.491 1.00 14.44 N ATOM 0 H ARG C 212 -3.568 12.871 -10.206 1.00 53.30 H new ATOM 0 HA ARG C 212 -1.499 13.094 -12.207 1.00 73.04 H new ATOM 0 HB2 ARG C 212 -3.797 13.987 -12.445 1.00 20.10 H new ATOM 0 HB3 ARG C 212 -3.515 15.065 -11.092 1.00 20.10 H new ATOM 0 HG2 ARG C 212 -1.690 16.174 -12.362 1.00 23.12 H new ATOM 0 HG3 ARG C 212 -1.985 15.102 -13.717 1.00 23.12 H new ATOM 0 HD2 ARG C 212 -3.983 17.064 -12.530 1.00 73.45 H new ATOM 0 HD3 ARG C 212 -3.101 17.280 -14.029 1.00 73.45 H new ATOM 0 HE ARG C 212 -4.663 14.811 -13.966 1.00 62.13 H new ATOM 0 HH11 ARG C 212 -4.717 18.266 -14.750 1.00 30.51 H new ATOM 0 HH12 ARG C 212 -6.127 18.115 -15.804 1.00 30.51 H new ATOM 0 HH21 ARG C 212 -6.473 14.632 -15.302 1.00 14.44 H new ATOM 0 HH22 ARG C 212 -7.120 16.060 -16.117 1.00 14.44 H new ATOM 1904 N PHE C 213 -1.307 14.596 -9.328 1.00 24.41 N ATOM 1905 CA PHE C 213 -0.420 15.202 -8.387 1.00 23.43 C ATOM 1906 C PHE C 213 -0.423 14.356 -7.162 1.00 61.44 C ATOM 1907 O PHE C 213 -1.453 13.785 -6.809 1.00 20.11 O ATOM 1908 CB PHE C 213 -0.840 16.628 -8.041 1.00 53.15 C ATOM 1909 CG PHE C 213 -0.789 17.591 -9.192 1.00 65.11 C ATOM 1910 CD1 PHE C 213 0.397 18.217 -9.529 1.00 44.44 C ATOM 1911 CD2 PHE C 213 -1.922 17.866 -9.937 1.00 52.22 C ATOM 1912 CE1 PHE C 213 0.454 19.100 -10.586 1.00 1.53 C ATOM 1913 CE2 PHE C 213 -1.872 18.748 -10.996 1.00 62.50 C ATOM 1914 CZ PHE C 213 -0.682 19.367 -11.322 1.00 60.40 C ATOM 0 H PHE C 213 -2.235 14.398 -8.954 1.00 24.41 H new ATOM 0 HA PHE C 213 0.578 15.267 -8.821 1.00 23.43 H new ATOM 0 HB2 PHE C 213 -1.856 16.608 -7.646 1.00 53.15 H new ATOM 0 HB3 PHE C 213 -0.195 17.000 -7.245 1.00 53.15 H new ATOM 0 HD1 PHE C 213 1.290 18.012 -8.957 1.00 44.44 H new ATOM 0 HD2 PHE C 213 -2.856 17.385 -9.686 1.00 52.22 H new ATOM 0 HE1 PHE C 213 1.387 19.582 -10.838 1.00 1.53 H new ATOM 0 HE2 PHE C 213 -2.763 18.954 -11.570 1.00 62.50 H new ATOM 0 HZ PHE C 213 -0.640 20.058 -12.151 1.00 60.40 H new ATOM 1924 N PHE C 214 0.696 14.247 -6.539 1.00 15.42 N ATOM 1925 CA PHE C 214 0.810 13.426 -5.377 1.00 52.21 C ATOM 1926 C PHE C 214 1.076 14.259 -4.153 1.00 11.15 C ATOM 1927 O PHE C 214 1.683 15.340 -4.229 1.00 15.21 O ATOM 1928 CB PHE C 214 1.880 12.331 -5.564 1.00 42.41 C ATOM 1929 CG PHE C 214 3.251 12.845 -5.925 1.00 24.43 C ATOM 1930 CD1 PHE C 214 4.137 13.251 -4.943 1.00 15.10 C ATOM 1931 CD2 PHE C 214 3.650 12.915 -7.250 1.00 60.53 C ATOM 1932 CE1 PHE C 214 5.393 13.717 -5.274 1.00 11.31 C ATOM 1933 CE2 PHE C 214 4.903 13.380 -7.587 1.00 14.30 C ATOM 1934 CZ PHE C 214 5.776 13.781 -6.598 1.00 63.23 C ATOM 0 H PHE C 214 1.557 14.720 -6.815 1.00 15.42 H new ATOM 0 HA PHE C 214 -0.144 12.920 -5.230 1.00 52.21 H new ATOM 0 HB2 PHE C 214 1.954 11.754 -4.643 1.00 42.41 H new ATOM 0 HB3 PHE C 214 1.547 11.646 -6.344 1.00 42.41 H new ATOM 0 HD1 PHE C 214 3.842 13.203 -3.905 1.00 15.10 H new ATOM 0 HD2 PHE C 214 2.971 12.601 -8.029 1.00 60.53 H new ATOM 0 HE1 PHE C 214 6.075 14.031 -4.498 1.00 11.31 H new ATOM 0 HE2 PHE C 214 5.200 13.430 -8.624 1.00 14.30 H new ATOM 0 HZ PHE C 214 6.759 14.145 -6.859 1.00 63.23 H new ATOM 1944 N GLU C 215 0.620 13.778 -3.055 1.00 34.52 N ATOM 1945 CA GLU C 215 0.785 14.407 -1.805 1.00 43.43 C ATOM 1946 C GLU C 215 2.063 13.960 -1.180 1.00 33.12 C ATOM 1947 O GLU C 215 2.219 12.809 -0.756 1.00 24.35 O ATOM 1948 CB GLU C 215 -0.391 14.098 -0.863 1.00 41.13 C ATOM 1949 CG GLU C 215 -1.707 14.778 -1.212 1.00 65.00 C ATOM 1950 CD GLU C 215 -2.224 14.430 -2.563 1.00 33.10 C ATOM 1951 OE1 GLU C 215 -2.858 13.384 -2.721 1.00 1.30 O ATOM 1952 OE2 GLU C 215 -2.029 15.228 -3.495 1.00 44.45 O ATOM 0 H GLU C 215 0.102 12.901 -3.005 1.00 34.52 H new ATOM 0 HA GLU C 215 0.813 15.484 -1.969 1.00 43.43 H new ATOM 0 HB2 GLU C 215 -0.551 13.020 -0.852 1.00 41.13 H new ATOM 0 HB3 GLU C 215 -0.109 14.389 0.149 1.00 41.13 H new ATOM 0 HG2 GLU C 215 -2.454 14.506 -0.466 1.00 65.00 H new ATOM 0 HG3 GLU C 215 -1.574 15.858 -1.151 1.00 65.00 H new ATOM 1959 N SER C 216 2.974 14.838 -1.150 1.00 15.03 N ATOM 1960 CA SER C 216 4.186 14.609 -0.517 1.00 73.34 C ATOM 1961 C SER C 216 4.151 15.169 0.900 1.00 11.22 C ATOM 1962 O SER C 216 3.433 16.144 1.178 1.00 40.43 O ATOM 1963 CB SER C 216 5.299 15.174 -1.367 1.00 53.44 C ATOM 1964 OG SER C 216 4.939 16.449 -1.885 1.00 70.24 O ATOM 0 H SER C 216 2.890 15.760 -1.578 1.00 15.03 H new ATOM 0 HA SER C 216 4.375 13.541 -0.411 1.00 73.34 H new ATOM 0 HB2 SER C 216 6.209 15.261 -0.773 1.00 53.44 H new ATOM 0 HB3 SER C 216 5.519 14.491 -2.188 1.00 53.44 H new ATOM 0 HG SER C 216 5.230 17.149 -1.263 1.00 70.24 H new ATOM 1970 N HIS C 217 4.898 14.521 1.773 1.00 4.04 N ATOM 1971 CA HIS C 217 4.987 14.814 3.200 1.00 31.22 C ATOM 1972 C HIS C 217 3.822 14.216 3.942 1.00 74.31 C ATOM 1973 O HIS C 217 3.908 13.080 4.359 1.00 1.42 O ATOM 1974 CB HIS C 217 5.204 16.295 3.531 1.00 31.00 C ATOM 1975 CG HIS C 217 6.463 16.553 4.280 1.00 53.01 C ATOM 1976 ND1 HIS C 217 6.496 16.925 5.602 1.00 33.20 N ATOM 1977 CD2 HIS C 217 7.745 16.509 3.871 1.00 60.33 C ATOM 1978 CE1 HIS C 217 7.745 17.097 5.975 1.00 73.10 C ATOM 1979 NE2 HIS C 217 8.523 16.848 4.941 1.00 0.13 N ATOM 0 H HIS C 217 5.490 13.737 1.498 1.00 4.04 H new ATOM 0 HA HIS C 217 5.898 14.331 3.553 1.00 31.22 H new ATOM 0 HB2 HIS C 217 5.217 16.869 2.604 1.00 31.00 H new ATOM 0 HB3 HIS C 217 4.360 16.656 4.118 1.00 31.00 H new ATOM 0 HD2 HIS C 217 8.093 16.253 2.881 1.00 60.33 H new ATOM 0 HE1 HIS C 217 8.076 17.392 6.960 1.00 73.10 H new ATOM 0 HE2 HIS C 217 9.542 16.900 4.940 1.00 0.13 H new ATOM 1988 N VAL C 218 2.717 14.956 4.058 1.00 1.32 N ATOM 1989 CA VAL C 218 1.491 14.467 4.729 1.00 25.21 C ATOM 1990 C VAL C 218 1.748 14.144 6.239 1.00 25.43 C ATOM 1991 O VAL C 218 2.896 14.111 6.711 1.00 20.40 O ATOM 1992 CB VAL C 218 0.886 13.220 3.957 1.00 5.35 C ATOM 1993 CG1 VAL C 218 -0.435 12.714 4.560 1.00 20.33 C ATOM 1994 CG2 VAL C 218 0.689 13.557 2.489 1.00 4.32 C ATOM 0 H VAL C 218 2.638 15.906 3.695 1.00 1.32 H new ATOM 0 HA VAL C 218 0.752 15.268 4.699 1.00 25.21 H new ATOM 0 HB VAL C 218 1.609 12.411 4.061 1.00 5.35 H new ATOM 0 HG11 VAL C 218 -0.794 11.861 3.985 1.00 20.33 H new ATOM 0 HG12 VAL C 218 -0.271 12.411 5.594 1.00 20.33 H new ATOM 0 HG13 VAL C 218 -1.178 13.511 4.529 1.00 20.33 H new ATOM 0 HG21 VAL C 218 0.273 12.693 1.970 1.00 4.32 H new ATOM 0 HG22 VAL C 218 0.004 14.400 2.398 1.00 4.32 H new ATOM 0 HG23 VAL C 218 1.649 13.820 2.044 1.00 4.32 H new ATOM 2004 N ALA C 219 0.695 13.975 6.987 1.00 71.03 N ATOM 2005 CA ALA C 219 0.817 13.624 8.374 1.00 24.45 C ATOM 2006 C ALA C 219 0.505 12.149 8.561 1.00 30.25 C ATOM 2007 O ALA C 219 -0.625 11.706 8.335 1.00 71.14 O ATOM 2008 CB ALA C 219 -0.089 14.482 9.233 1.00 12.02 C ATOM 0 H ALA C 219 -0.265 14.075 6.657 1.00 71.03 H new ATOM 0 HA ALA C 219 1.843 13.809 8.692 1.00 24.45 H new ATOM 0 HB1 ALA C 219 0.023 14.196 10.279 1.00 12.02 H new ATOM 0 HB2 ALA C 219 0.182 15.531 9.113 1.00 12.02 H new ATOM 0 HB3 ALA C 219 -1.125 14.338 8.926 1.00 12.02 H new ATOM 2014 N ARG C 220 1.500 11.401 8.967 1.00 61.51 N ATOM 2015 CA ARG C 220 1.385 9.967 9.178 1.00 54.14 C ATOM 2016 C ARG C 220 0.494 9.659 10.411 1.00 32.43 C ATOM 2017 O ARG C 220 0.047 8.539 10.619 1.00 55.32 O ATOM 2018 CB ARG C 220 2.806 9.334 9.203 1.00 11.51 C ATOM 2019 CG ARG C 220 2.907 7.804 9.188 1.00 70.32 C ATOM 2020 CD ARG C 220 2.836 7.156 10.534 1.00 2.31 C ATOM 2021 NE ARG C 220 2.936 5.698 10.400 1.00 74.33 N ATOM 2022 CZ ARG C 220 4.047 4.968 10.653 1.00 25.13 C ATOM 2023 NH1 ARG C 220 5.212 5.560 10.931 1.00 13.42 N ATOM 2024 NH2 ARG C 220 3.984 3.651 10.608 1.00 24.50 N ATOM 0 H ARG C 220 2.430 11.770 9.165 1.00 61.51 H new ATOM 0 HA ARG C 220 0.863 9.492 8.348 1.00 54.14 H new ATOM 0 HB2 ARG C 220 3.357 9.715 8.343 1.00 11.51 H new ATOM 0 HB3 ARG C 220 3.318 9.695 10.095 1.00 11.51 H new ATOM 0 HG2 ARG C 220 2.104 7.407 8.567 1.00 70.32 H new ATOM 0 HG3 ARG C 220 3.847 7.521 8.713 1.00 70.32 H new ATOM 0 HD2 ARG C 220 3.642 7.527 11.167 1.00 2.31 H new ATOM 0 HD3 ARG C 220 1.899 7.420 11.024 1.00 2.31 H new ATOM 0 HE ARG C 220 2.103 5.196 10.092 1.00 74.33 H new ATOM 0 HH11 ARG C 220 5.274 6.578 10.955 1.00 13.42 H new ATOM 0 HH12 ARG C 220 6.039 4.994 11.119 1.00 13.42 H new ATOM 0 HH21 ARG C 220 3.102 3.190 10.384 1.00 24.50 H new ATOM 0 HH22 ARG C 220 4.817 3.094 10.797 1.00 24.50 H new ATOM 2038 N ALA C 221 0.263 10.660 11.222 1.00 44.21 N ATOM 2039 CA ALA C 221 -0.666 10.545 12.339 1.00 4.30 C ATOM 2040 C ALA C 221 -2.127 10.770 11.871 1.00 43.34 C ATOM 2041 O ALA C 221 -3.074 10.499 12.605 1.00 1.21 O ATOM 2042 CB ALA C 221 -0.300 11.531 13.438 1.00 51.12 C ATOM 0 H ALA C 221 0.705 11.575 11.136 1.00 44.21 H new ATOM 0 HA ALA C 221 -0.592 9.534 12.740 1.00 4.30 H new ATOM 0 HB1 ALA C 221 -1.004 11.432 14.265 1.00 51.12 H new ATOM 0 HB2 ALA C 221 0.709 11.322 13.793 1.00 51.12 H new ATOM 0 HB3 ALA C 221 -0.343 12.547 13.045 1.00 51.12 H new ATOM 2048 N ASN C 222 -2.294 11.257 10.641 1.00 22.10 N ATOM 2049 CA ASN C 222 -3.629 11.613 10.100 1.00 3.13 C ATOM 2050 C ASN C 222 -4.069 10.588 9.043 1.00 52.34 C ATOM 2051 O ASN C 222 -5.130 10.710 8.412 1.00 23.44 O ATOM 2052 CB ASN C 222 -3.554 13.024 9.468 1.00 13.20 C ATOM 2053 CG ASN C 222 -4.904 13.600 9.032 1.00 62.32 C ATOM 2054 OD1 ASN C 222 -4.877 14.462 8.041 1.00 43.01 O flip ATOM 2055 ND2 ASN C 222 -5.957 13.288 9.603 1.00 0.22 N flip ATOM 0 H ASN C 222 -1.526 11.418 9.990 1.00 22.10 H new ATOM 0 HA ASN C 222 -4.360 11.608 10.908 1.00 3.13 H new ATOM 0 HB2 ASN C 222 -3.098 13.706 10.186 1.00 13.20 H new ATOM 0 HB3 ASN C 222 -2.894 12.985 8.602 1.00 13.20 H new ATOM 0 HD21 ASN C 222 -5.942 12.615 10.369 1.00 0.22 H new ATOM 0 HD22 ASN C 222 -6.840 13.704 9.307 1.00 0.22 H new ATOM 2062 N VAL C 223 -3.273 9.575 8.872 1.00 62.25 N ATOM 2063 CA VAL C 223 -3.532 8.582 7.860 1.00 30.40 C ATOM 2064 C VAL C 223 -4.284 7.372 8.414 1.00 2.53 C ATOM 2065 O VAL C 223 -4.088 6.961 9.557 1.00 62.51 O ATOM 2066 CB VAL C 223 -2.219 8.123 7.140 1.00 73.50 C ATOM 2067 CG1 VAL C 223 -1.228 7.631 8.137 1.00 61.21 C ATOM 2068 CG2 VAL C 223 -2.492 7.021 6.147 1.00 4.21 C ATOM 0 H VAL C 223 -2.431 9.410 9.423 1.00 62.25 H new ATOM 0 HA VAL C 223 -4.173 9.064 7.122 1.00 30.40 H new ATOM 0 HB VAL C 223 -1.820 8.988 6.610 1.00 73.50 H new ATOM 0 HG11 VAL C 223 -0.320 7.315 7.623 1.00 61.21 H new ATOM 0 HG12 VAL C 223 -0.988 8.431 8.837 1.00 61.21 H new ATOM 0 HG13 VAL C 223 -1.649 6.786 8.682 1.00 61.21 H new ATOM 0 HG21 VAL C 223 -1.560 6.726 5.665 1.00 4.21 H new ATOM 0 HG22 VAL C 223 -2.920 6.163 6.665 1.00 4.21 H new ATOM 0 HG23 VAL C 223 -3.194 7.377 5.392 1.00 4.21 H new ATOM 2078 N LYS C 224 -5.170 6.873 7.593 1.00 44.11 N ATOM 2079 CA LYS C 224 -5.908 5.668 7.829 1.00 23.51 C ATOM 2080 C LYS C 224 -5.036 4.461 7.515 1.00 35.14 C ATOM 2081 O LYS C 224 -4.701 3.674 8.374 1.00 70.33 O ATOM 2082 CB LYS C 224 -7.103 5.642 6.864 1.00 20.01 C ATOM 2083 CG LYS C 224 -8.183 6.664 7.150 1.00 14.22 C ATOM 2084 CD LYS C 224 -9.149 6.158 8.196 1.00 73.12 C ATOM 2085 CE LYS C 224 -10.000 5.047 7.613 1.00 55.44 C ATOM 2086 NZ LYS C 224 -10.978 4.509 8.579 1.00 15.14 N ATOM 0 H LYS C 224 -5.404 7.317 6.705 1.00 44.11 H new ATOM 0 HA LYS C 224 -6.231 5.636 8.870 1.00 23.51 H new ATOM 0 HB2 LYS C 224 -6.735 5.800 5.850 1.00 20.01 H new ATOM 0 HB3 LYS C 224 -7.549 4.648 6.890 1.00 20.01 H new ATOM 0 HG2 LYS C 224 -7.727 7.593 7.491 1.00 14.22 H new ATOM 0 HG3 LYS C 224 -8.724 6.893 6.232 1.00 14.22 H new ATOM 0 HD2 LYS C 224 -8.601 5.792 9.064 1.00 73.12 H new ATOM 0 HD3 LYS C 224 -9.785 6.973 8.542 1.00 73.12 H new ATOM 0 HE2 LYS C 224 -10.530 5.423 6.738 1.00 55.44 H new ATOM 0 HE3 LYS C 224 -9.352 4.240 7.271 1.00 55.44 H new ATOM 0 HZ1 LYS C 224 -11.509 3.731 8.139 1.00 15.14 H new ATOM 0 HZ2 LYS C 224 -10.477 4.155 9.419 1.00 15.14 H new ATOM 0 HZ3 LYS C 224 -11.638 5.262 8.861 1.00 15.14 H new ATOM 2100 N HIS C 225 -4.651 4.369 6.259 1.00 55.11 N ATOM 2101 CA HIS C 225 -3.966 3.213 5.729 1.00 45.21 C ATOM 2102 C HIS C 225 -3.430 3.550 4.344 1.00 3.42 C ATOM 2103 O HIS C 225 -3.812 4.577 3.776 1.00 24.03 O ATOM 2104 CB HIS C 225 -4.960 2.013 5.655 1.00 23.53 C ATOM 2105 CG HIS C 225 -6.221 2.314 4.873 1.00 65.52 C ATOM 2106 ND1 HIS C 225 -7.404 2.670 5.460 1.00 11.05 N ATOM 2107 CD2 HIS C 225 -6.448 2.345 3.557 1.00 52.21 C ATOM 2108 CE1 HIS C 225 -8.305 2.914 4.533 1.00 11.34 C ATOM 2109 NE2 HIS C 225 -7.746 2.721 3.360 1.00 21.34 N ATOM 0 H HIS C 225 -4.808 5.105 5.571 1.00 55.11 H new ATOM 0 HA HIS C 225 -3.133 2.936 6.376 1.00 45.21 H new ATOM 0 HB2 HIS C 225 -4.455 1.162 5.199 1.00 23.53 H new ATOM 0 HB3 HIS C 225 -5.233 1.716 6.668 1.00 23.53 H new ATOM 0 HD1 HIS C 225 -7.564 2.736 6.465 1.00 11.05 H new ATOM 0 HD2 HIS C 225 -5.730 2.113 2.784 1.00 52.21 H new ATOM 0 HE1 HIS C 225 -9.326 3.220 4.706 1.00 11.34 H new ATOM 2118 N LEU C 226 -2.619 2.671 3.791 1.00 54.12 N ATOM 2119 CA LEU C 226 -1.991 2.865 2.472 1.00 53.32 C ATOM 2120 C LEU C 226 -2.473 1.818 1.492 1.00 61.13 C ATOM 2121 O LEU C 226 -3.002 0.795 1.887 1.00 23.21 O ATOM 2122 CB LEU C 226 -0.435 2.778 2.562 1.00 55.22 C ATOM 2123 CG LEU C 226 0.369 4.065 2.887 1.00 4.51 C ATOM 2124 CD1 LEU C 226 -0.099 4.727 4.146 1.00 13.12 C ATOM 2125 CD2 LEU C 226 1.857 3.741 2.989 1.00 70.31 C ATOM 0 H LEU C 226 -2.366 1.789 4.238 1.00 54.12 H new ATOM 0 HA LEU C 226 -2.276 3.859 2.127 1.00 53.32 H new ATOM 0 HB2 LEU C 226 -0.190 2.035 3.321 1.00 55.22 H new ATOM 0 HB3 LEU C 226 -0.070 2.393 1.610 1.00 55.22 H new ATOM 0 HG LEU C 226 0.200 4.767 2.070 1.00 4.51 H new ATOM 0 HD11 LEU C 226 0.495 5.622 4.329 1.00 13.12 H new ATOM 0 HD12 LEU C 226 -1.149 5.003 4.044 1.00 13.12 H new ATOM 0 HD13 LEU C 226 0.015 4.038 4.983 1.00 13.12 H new ATOM 0 HD21 LEU C 226 2.413 4.651 3.217 1.00 70.31 H new ATOM 0 HD22 LEU C 226 2.017 3.010 3.781 1.00 70.31 H new ATOM 0 HD23 LEU C 226 2.206 3.331 2.041 1.00 70.31 H new ATOM 2137 N LYS C 227 -2.325 2.104 0.233 1.00 34.43 N ATOM 2138 CA LYS C 227 -2.620 1.191 -0.822 1.00 2.21 C ATOM 2139 C LYS C 227 -1.558 1.299 -1.867 1.00 74.41 C ATOM 2140 O LYS C 227 -1.320 2.383 -2.394 1.00 53.34 O ATOM 2141 CB LYS C 227 -3.983 1.471 -1.426 1.00 1.01 C ATOM 2142 CG LYS C 227 -4.378 0.482 -2.487 1.00 54.21 C ATOM 2143 CD LYS C 227 -5.866 0.457 -2.724 1.00 62.22 C ATOM 2144 CE LYS C 227 -6.469 1.778 -3.171 1.00 74.44 C ATOM 2145 NZ LYS C 227 -6.494 2.867 -2.133 1.00 3.04 N ATOM 0 H LYS C 227 -1.985 3.008 -0.095 1.00 34.43 H new ATOM 0 HA LYS C 227 -2.642 0.179 -0.418 1.00 2.21 H new ATOM 0 HB2 LYS C 227 -4.732 1.463 -0.634 1.00 1.01 H new ATOM 0 HB3 LYS C 227 -3.984 2.473 -1.855 1.00 1.01 H new ATOM 0 HG2 LYS C 227 -3.869 0.730 -3.418 1.00 54.21 H new ATOM 0 HG3 LYS C 227 -4.043 -0.513 -2.195 1.00 54.21 H new ATOM 0 HD2 LYS C 227 -6.086 -0.299 -3.478 1.00 62.22 H new ATOM 0 HD3 LYS C 227 -6.360 0.143 -1.804 1.00 62.22 H new ATOM 0 HE2 LYS C 227 -5.910 2.138 -4.035 1.00 74.44 H new ATOM 0 HE3 LYS C 227 -7.490 1.596 -3.505 1.00 74.44 H new ATOM 0 HZ1 LYS C 227 -7.370 3.419 -2.230 1.00 3.04 H new ATOM 0 HZ2 LYS C 227 -6.455 2.443 -1.184 1.00 3.04 H new ATOM 0 HZ3 LYS C 227 -5.674 3.493 -2.267 1.00 3.04 H new ATOM 2159 N ILE C 228 -0.918 0.206 -2.160 1.00 60.11 N ATOM 2160 CA ILE C 228 0.115 0.189 -3.145 1.00 2.10 C ATOM 2161 C ILE C 228 -0.475 -0.406 -4.387 1.00 10.42 C ATOM 2162 O ILE C 228 -0.919 -1.577 -4.394 1.00 75.51 O ATOM 2163 CB ILE C 228 1.345 -0.668 -2.738 1.00 60.33 C ATOM 2164 CG1 ILE C 228 1.868 -0.278 -1.359 1.00 72.33 C ATOM 2165 CG2 ILE C 228 2.452 -0.471 -3.762 1.00 23.14 C ATOM 2166 CD1 ILE C 228 3.072 -1.091 -0.915 1.00 41.21 C ATOM 0 H ILE C 228 -1.099 -0.697 -1.722 1.00 60.11 H new ATOM 0 HA ILE C 228 0.470 1.211 -3.279 1.00 2.10 H new ATOM 0 HB ILE C 228 1.034 -1.712 -2.703 1.00 60.33 H new ATOM 0 HG12 ILE C 228 2.136 0.779 -1.366 1.00 72.33 H new ATOM 0 HG13 ILE C 228 1.068 -0.399 -0.628 1.00 72.33 H new ATOM 0 HG21 ILE C 228 3.318 -1.070 -3.481 1.00 23.14 H new ATOM 0 HG22 ILE C 228 2.098 -0.783 -4.745 1.00 23.14 H new ATOM 0 HG23 ILE C 228 2.734 0.581 -3.795 1.00 23.14 H new ATOM 0 HD11 ILE C 228 3.390 -0.760 0.074 1.00 41.21 H new ATOM 0 HD12 ILE C 228 2.804 -2.147 -0.875 1.00 41.21 H new ATOM 0 HD13 ILE C 228 3.888 -0.951 -1.624 1.00 41.21 H new ATOM 2178 N LEU C 229 -0.522 0.386 -5.392 1.00 1.11 N ATOM 2179 CA LEU C 229 -1.079 0.037 -6.656 1.00 24.11 C ATOM 2180 C LEU C 229 -0.103 0.519 -7.698 1.00 42.34 C ATOM 2181 O LEU C 229 0.338 1.653 -7.654 1.00 51.41 O ATOM 2182 CB LEU C 229 -2.462 0.717 -6.764 1.00 14.23 C ATOM 2183 CG LEU C 229 -2.473 2.236 -6.637 1.00 31.43 C ATOM 2184 CD1 LEU C 229 -2.525 2.913 -7.992 1.00 74.21 C ATOM 2185 CD2 LEU C 229 -3.571 2.691 -5.721 1.00 53.13 C ATOM 0 H LEU C 229 -0.159 1.339 -5.361 1.00 1.11 H new ATOM 0 HA LEU C 229 -1.232 -1.034 -6.790 1.00 24.11 H new ATOM 0 HB2 LEU C 229 -2.902 0.450 -7.725 1.00 14.23 H new ATOM 0 HB3 LEU C 229 -3.109 0.303 -5.991 1.00 14.23 H new ATOM 0 HG LEU C 229 -1.531 2.542 -6.182 1.00 31.43 H new ATOM 0 HD11 LEU C 229 -2.531 3.995 -7.858 1.00 74.21 H new ATOM 0 HD12 LEU C 229 -1.651 2.625 -8.576 1.00 74.21 H new ATOM 0 HD13 LEU C 229 -3.430 2.607 -8.517 1.00 74.21 H new ATOM 0 HD21 LEU C 229 -3.557 3.778 -5.648 1.00 53.13 H new ATOM 0 HD22 LEU C 229 -4.533 2.367 -6.117 1.00 53.13 H new ATOM 0 HD23 LEU C 229 -3.422 2.259 -4.732 1.00 53.13 H new ATOM 2197 N ASN C 230 0.302 -0.311 -8.580 1.00 15.31 N ATOM 2198 CA ASN C 230 1.308 0.132 -9.496 1.00 34.01 C ATOM 2199 C ASN C 230 0.888 -0.024 -10.928 1.00 64.31 C ATOM 2200 O ASN C 230 0.853 -1.126 -11.456 1.00 71.15 O ATOM 2201 CB ASN C 230 2.675 -0.508 -9.193 1.00 13.53 C ATOM 2202 CG ASN C 230 3.827 0.053 -10.035 1.00 62.11 C ATOM 2203 OD1 ASN C 230 4.803 -0.637 -10.295 1.00 54.43 O ATOM 2204 ND2 ASN C 230 3.740 1.301 -10.430 1.00 72.10 N ATOM 0 H ASN C 230 -0.025 -1.270 -8.697 1.00 15.31 H new ATOM 0 HA ASN C 230 1.431 1.204 -9.344 1.00 34.01 H new ATOM 0 HB2 ASN C 230 2.906 -0.364 -8.138 1.00 13.53 H new ATOM 0 HB3 ASN C 230 2.606 -1.583 -9.360 1.00 13.53 H new ATOM 0 HD21 ASN C 230 4.498 1.720 -10.969 1.00 72.10 H new ATOM 0 HD22 ASN C 230 2.914 1.853 -10.199 1.00 72.10 H new ATOM 2211 N THR C 231 0.545 1.085 -11.540 1.00 33.00 N ATOM 2212 CA THR C 231 0.206 1.098 -12.921 1.00 62.40 C ATOM 2213 C THR C 231 1.505 0.912 -13.748 1.00 71.50 C ATOM 2214 O THR C 231 2.557 1.465 -13.384 1.00 22.10 O ATOM 2215 CB THR C 231 -0.567 2.407 -13.290 1.00 4.14 C ATOM 2216 OG1 THR C 231 0.199 3.566 -12.898 1.00 20.43 O ATOM 2217 CG2 THR C 231 -1.936 2.446 -12.579 1.00 73.13 C ATOM 0 H THR C 231 0.497 1.996 -11.085 1.00 33.00 H new ATOM 0 HA THR C 231 -0.470 0.276 -13.156 1.00 62.40 H new ATOM 0 HB THR C 231 -0.720 2.417 -14.369 1.00 4.14 H new ATOM 0 HG1 THR C 231 -0.294 4.379 -13.135 1.00 20.43 H new ATOM 0 HG21 THR C 231 -2.459 3.364 -12.848 1.00 73.13 H new ATOM 0 HG22 THR C 231 -2.530 1.586 -12.887 1.00 73.13 H new ATOM 0 HG23 THR C 231 -1.786 2.416 -11.500 1.00 73.13 H new ATOM 2225 N PRO C 232 1.443 0.135 -14.859 1.00 44.34 N ATOM 2226 CA PRO C 232 2.639 -0.304 -15.661 1.00 1.11 C ATOM 2227 C PRO C 232 3.465 0.810 -16.362 1.00 21.20 C ATOM 2228 O PRO C 232 4.120 0.544 -17.384 1.00 24.10 O ATOM 2229 CB PRO C 232 2.015 -1.231 -16.719 1.00 73.14 C ATOM 2230 CG PRO C 232 0.601 -0.788 -16.824 1.00 3.02 C ATOM 2231 CD PRO C 232 0.192 -0.404 -15.438 1.00 32.41 C ATOM 0 HA PRO C 232 3.375 -0.751 -14.993 1.00 1.11 H new ATOM 0 HB2 PRO C 232 2.530 -1.142 -17.676 1.00 73.14 H new ATOM 0 HB3 PRO C 232 2.081 -2.276 -16.417 1.00 73.14 H new ATOM 0 HG2 PRO C 232 0.505 0.055 -17.508 1.00 3.02 H new ATOM 0 HG3 PRO C 232 -0.032 -1.587 -17.212 1.00 3.02 H new ATOM 0 HD2 PRO C 232 -0.604 0.341 -15.444 1.00 32.41 H new ATOM 0 HD3 PRO C 232 -0.177 -1.261 -14.874 1.00 32.41 H new ATOM 2239 N ASN C 233 3.482 2.012 -15.811 1.00 42.15 N ATOM 2240 CA ASN C 233 4.259 3.115 -16.394 1.00 63.44 C ATOM 2241 C ASN C 233 4.414 4.245 -15.366 1.00 51.34 C ATOM 2242 O ASN C 233 4.667 5.395 -15.712 1.00 42.25 O ATOM 2243 CB ASN C 233 3.571 3.636 -17.680 1.00 54.20 C ATOM 2244 CG ASN C 233 4.418 4.637 -18.495 1.00 25.11 C ATOM 2245 OD1 ASN C 233 5.720 4.457 -18.522 1.00 54.10 O flip ATOM 2246 ND2 ASN C 233 3.881 5.539 -19.135 1.00 43.44 N flip ATOM 0 H ASN C 233 2.971 2.258 -14.963 1.00 42.15 H new ATOM 0 HA ASN C 233 5.250 2.749 -16.662 1.00 63.44 H new ATOM 0 HB2 ASN C 233 3.324 2.786 -18.316 1.00 54.20 H new ATOM 0 HB3 ASN C 233 2.630 4.113 -17.406 1.00 54.20 H new ATOM 0 HD21 ASN C 233 2.869 5.658 -19.098 1.00 43.44 H new ATOM 0 HD22 ASN C 233 4.448 6.168 -19.703 1.00 43.44 H new ATOM 2253 N CYS C 234 4.304 3.915 -14.104 1.00 33.21 N ATOM 2254 CA CYS C 234 4.417 4.925 -13.067 1.00 1.13 C ATOM 2255 C CYS C 234 5.242 4.356 -11.929 1.00 74.34 C ATOM 2256 O CYS C 234 5.418 3.120 -11.847 1.00 23.23 O ATOM 2257 CB CYS C 234 3.019 5.326 -12.544 1.00 40.14 C ATOM 2258 SG CYS C 234 2.975 6.897 -11.647 1.00 43.24 S ATOM 0 H CYS C 234 4.138 2.967 -13.766 1.00 33.21 H new ATOM 0 HA CYS C 234 4.897 5.813 -13.477 1.00 1.13 H new ATOM 0 HB2 CYS C 234 2.332 5.385 -13.388 1.00 40.14 H new ATOM 0 HB3 CYS C 234 2.650 4.537 -11.888 1.00 40.14 H new ATOM 2263 N ALA C 235 5.780 5.227 -11.066 1.00 5.54 N ATOM 2264 CA ALA C 235 6.509 4.785 -9.877 1.00 11.42 C ATOM 2265 C ALA C 235 5.559 4.014 -8.951 1.00 1.43 C ATOM 2266 O ALA C 235 4.365 3.878 -9.258 1.00 3.35 O ATOM 2267 CB ALA C 235 7.126 5.979 -9.137 1.00 41.40 C ATOM 0 H ALA C 235 5.723 6.240 -11.171 1.00 5.54 H new ATOM 0 HA ALA C 235 7.322 4.128 -10.187 1.00 11.42 H new ATOM 0 HB1 ALA C 235 7.662 5.624 -8.257 1.00 41.40 H new ATOM 0 HB2 ALA C 235 7.819 6.499 -9.799 1.00 41.40 H new ATOM 0 HB3 ALA C 235 6.336 6.664 -8.829 1.00 41.40 H new ATOM 2273 N CYS C 236 6.075 3.510 -7.847 1.00 2.21 N ATOM 2274 CA CYS C 236 5.264 2.738 -6.904 1.00 43.12 C ATOM 2275 C CYS C 236 4.153 3.653 -6.331 1.00 51.23 C ATOM 2276 O CYS C 236 4.367 4.386 -5.410 1.00 2.22 O ATOM 2277 CB CYS C 236 6.164 2.159 -5.784 1.00 62.15 C ATOM 2278 SG CYS C 236 5.374 0.897 -4.736 1.00 43.53 S ATOM 0 H CYS C 236 7.052 3.617 -7.574 1.00 2.21 H new ATOM 0 HA CYS C 236 4.792 1.897 -7.411 1.00 43.12 H new ATOM 0 HB2 CYS C 236 7.053 1.725 -6.241 1.00 62.15 H new ATOM 0 HB3 CYS C 236 6.500 2.979 -5.149 1.00 62.15 H new ATOM 2283 N GLN C 237 2.995 3.625 -6.950 1.00 72.13 N ATOM 2284 CA GLN C 237 1.929 4.542 -6.623 1.00 12.15 C ATOM 2285 C GLN C 237 1.261 4.126 -5.310 1.00 62.01 C ATOM 2286 O GLN C 237 0.512 3.141 -5.251 1.00 23.21 O ATOM 2287 CB GLN C 237 0.883 4.579 -7.750 1.00 0.33 C ATOM 2288 CG GLN C 237 -0.031 5.792 -7.709 1.00 11.45 C ATOM 2289 CD GLN C 237 0.518 6.993 -8.497 1.00 4.52 C ATOM 2290 OE1 GLN C 237 -0.249 7.834 -8.974 1.00 30.43 O ATOM 2291 NE2 GLN C 237 1.808 7.019 -8.750 1.00 64.55 N ATOM 0 H GLN C 237 2.766 2.966 -7.694 1.00 72.13 H new ATOM 0 HA GLN C 237 2.356 5.538 -6.508 1.00 12.15 H new ATOM 0 HB2 GLN C 237 1.398 4.558 -8.710 1.00 0.33 H new ATOM 0 HB3 GLN C 237 0.274 3.677 -7.696 1.00 0.33 H new ATOM 0 HG2 GLN C 237 -1.006 5.517 -8.111 1.00 11.45 H new ATOM 0 HG3 GLN C 237 -0.186 6.087 -6.671 1.00 11.45 H new ATOM 0 HE21 GLN C 237 2.422 6.313 -8.344 1.00 64.55 H new ATOM 0 HE22 GLN C 237 2.195 7.745 -9.352 1.00 64.55 H new ATOM 2300 N ILE C 238 1.561 4.837 -4.273 1.00 73.54 N ATOM 2301 CA ILE C 238 0.993 4.564 -2.993 1.00 32.12 C ATOM 2302 C ILE C 238 -0.067 5.600 -2.685 1.00 23.04 C ATOM 2303 O ILE C 238 0.187 6.779 -2.740 1.00 51.42 O ATOM 2304 CB ILE C 238 2.079 4.546 -1.890 1.00 35.33 C ATOM 2305 CG1 ILE C 238 3.114 3.453 -2.205 1.00 21.45 C ATOM 2306 CG2 ILE C 238 1.448 4.314 -0.525 1.00 21.55 C ATOM 2307 CD1 ILE C 238 4.231 3.317 -1.190 1.00 11.33 C ATOM 0 H ILE C 238 2.208 5.625 -4.289 1.00 73.54 H new ATOM 0 HA ILE C 238 0.536 3.575 -3.015 1.00 32.12 H new ATOM 0 HB ILE C 238 2.582 5.513 -1.867 1.00 35.33 H new ATOM 0 HG12 ILE C 238 2.597 2.497 -2.285 1.00 21.45 H new ATOM 0 HG13 ILE C 238 3.553 3.660 -3.181 1.00 21.45 H new ATOM 0 HG21 ILE C 238 2.226 4.304 0.239 1.00 21.55 H new ATOM 0 HG22 ILE C 238 0.739 5.114 -0.311 1.00 21.55 H new ATOM 0 HG23 ILE C 238 0.926 3.357 -0.523 1.00 21.55 H new ATOM 0 HD11 ILE C 238 4.909 2.522 -1.499 1.00 11.33 H new ATOM 0 HD12 ILE C 238 4.780 4.257 -1.125 1.00 11.33 H new ATOM 0 HD13 ILE C 238 3.809 3.075 -0.215 1.00 11.33 H new ATOM 2319 N VAL C 239 -1.251 5.153 -2.398 1.00 30.45 N ATOM 2320 CA VAL C 239 -2.351 6.043 -2.098 1.00 55.54 C ATOM 2321 C VAL C 239 -2.857 5.762 -0.675 1.00 71.00 C ATOM 2322 O VAL C 239 -3.161 4.623 -0.339 1.00 64.02 O ATOM 2323 CB VAL C 239 -3.498 5.871 -3.147 1.00 55.34 C ATOM 2324 CG1 VAL C 239 -4.637 6.827 -2.887 1.00 24.12 C ATOM 2325 CG2 VAL C 239 -2.967 6.070 -4.562 1.00 11.31 C ATOM 0 H VAL C 239 -1.491 4.162 -2.363 1.00 30.45 H new ATOM 0 HA VAL C 239 -2.007 7.076 -2.153 1.00 55.54 H new ATOM 0 HB VAL C 239 -3.879 4.854 -3.048 1.00 55.34 H new ATOM 0 HG11 VAL C 239 -5.415 6.678 -3.636 1.00 24.12 H new ATOM 0 HG12 VAL C 239 -5.048 6.642 -1.895 1.00 24.12 H new ATOM 0 HG13 VAL C 239 -4.271 7.852 -2.943 1.00 24.12 H new ATOM 0 HG21 VAL C 239 -3.781 5.946 -5.277 1.00 11.31 H new ATOM 0 HG22 VAL C 239 -2.550 7.073 -4.657 1.00 11.31 H new ATOM 0 HG23 VAL C 239 -2.190 5.334 -4.766 1.00 11.31 H new ATOM 2335 N ALA C 240 -2.945 6.794 0.141 1.00 4.34 N ATOM 2336 CA ALA C 240 -3.311 6.658 1.544 1.00 30.20 C ATOM 2337 C ALA C 240 -4.544 7.478 1.862 1.00 41.12 C ATOM 2338 O ALA C 240 -4.705 8.583 1.379 1.00 20.11 O ATOM 2339 CB ALA C 240 -2.161 7.091 2.428 1.00 53.43 C ATOM 0 H ALA C 240 -2.765 7.755 -0.148 1.00 4.34 H new ATOM 0 HA ALA C 240 -3.535 5.609 1.737 1.00 30.20 H new ATOM 0 HB1 ALA C 240 -2.447 6.985 3.475 1.00 53.43 H new ATOM 0 HB2 ALA C 240 -1.291 6.467 2.224 1.00 53.43 H new ATOM 0 HB3 ALA C 240 -1.917 8.133 2.223 1.00 53.43 H new ATOM 2345 N ARG C 241 -5.402 6.958 2.687 1.00 3.32 N ATOM 2346 CA ARG C 241 -6.626 7.640 2.974 1.00 72.41 C ATOM 2347 C ARG C 241 -6.538 8.426 4.275 1.00 11.44 C ATOM 2348 O ARG C 241 -6.030 7.931 5.258 1.00 22.33 O ATOM 2349 CB ARG C 241 -7.819 6.667 2.911 1.00 64.24 C ATOM 2350 CG ARG C 241 -9.163 7.328 3.089 1.00 70.54 C ATOM 2351 CD ARG C 241 -10.296 6.432 2.624 1.00 43.33 C ATOM 2352 NE ARG C 241 -11.584 7.128 2.673 1.00 31.31 N ATOM 2353 CZ ARG C 241 -12.400 7.313 1.607 1.00 64.52 C ATOM 2354 NH1 ARG C 241 -12.050 6.860 0.392 1.00 2.45 N ATOM 2355 NH2 ARG C 241 -13.556 7.959 1.755 1.00 72.02 N ATOM 0 H ARG C 241 -5.278 6.069 3.171 1.00 3.32 H new ATOM 0 HA ARG C 241 -6.802 8.387 2.200 1.00 72.41 H new ATOM 0 HB2 ARG C 241 -7.804 6.152 1.950 1.00 64.24 H new ATOM 0 HB3 ARG C 241 -7.695 5.907 3.682 1.00 64.24 H new ATOM 0 HG2 ARG C 241 -9.307 7.582 4.139 1.00 70.54 H new ATOM 0 HG3 ARG C 241 -9.186 8.263 2.529 1.00 70.54 H new ATOM 0 HD2 ARG C 241 -10.101 6.096 1.606 1.00 43.33 H new ATOM 0 HD3 ARG C 241 -10.338 5.541 3.251 1.00 43.33 H new ATOM 0 HE ARG C 241 -11.888 7.500 3.573 1.00 31.31 H new ATOM 0 HH11 ARG C 241 -11.163 6.372 0.266 1.00 2.45 H new ATOM 0 HH12 ARG C 241 -12.671 7.004 -0.404 1.00 2.45 H new ATOM 0 HH21 ARG C 241 -13.828 8.315 2.671 1.00 72.02 H new ATOM 0 HH22 ARG C 241 -14.169 8.098 0.952 1.00 72.02 H new ATOM 2369 N LEU C 242 -6.957 9.675 4.230 1.00 1.04 N ATOM 2370 CA LEU C 242 -6.970 10.555 5.403 1.00 53.41 C ATOM 2371 C LEU C 242 -8.137 10.187 6.314 1.00 41.12 C ATOM 2372 O LEU C 242 -9.259 9.966 5.828 1.00 35.41 O ATOM 2373 CB LEU C 242 -7.167 12.007 4.949 1.00 42.30 C ATOM 2374 CG LEU C 242 -6.120 12.593 4.003 1.00 64.34 C ATOM 2375 CD1 LEU C 242 -6.632 13.907 3.407 1.00 24.53 C ATOM 2376 CD2 LEU C 242 -4.804 12.819 4.732 1.00 20.12 C ATOM 0 H LEU C 242 -7.302 10.119 3.379 1.00 1.04 H new ATOM 0 HA LEU C 242 -6.026 10.443 5.935 1.00 53.41 H new ATOM 0 HB2 LEU C 242 -8.140 12.079 4.462 1.00 42.30 H new ATOM 0 HB3 LEU C 242 -7.208 12.636 5.838 1.00 42.30 H new ATOM 0 HG LEU C 242 -5.944 11.883 3.195 1.00 64.34 H new ATOM 0 HD11 LEU C 242 -5.880 14.319 2.734 1.00 24.53 H new ATOM 0 HD12 LEU C 242 -7.552 13.721 2.853 1.00 24.53 H new ATOM 0 HD13 LEU C 242 -6.829 14.618 4.209 1.00 24.53 H new ATOM 0 HD21 LEU C 242 -4.072 13.237 4.041 1.00 20.12 H new ATOM 0 HD22 LEU C 242 -4.960 13.513 5.558 1.00 20.12 H new ATOM 0 HD23 LEU C 242 -4.436 11.870 5.120 1.00 20.12 H new ATOM 2388 N LYS C 243 -7.869 10.107 7.608 1.00 0.11 N ATOM 2389 CA LYS C 243 -8.898 9.867 8.621 1.00 51.13 C ATOM 2390 C LYS C 243 -9.984 10.922 8.529 1.00 73.44 C ATOM 2391 O LYS C 243 -11.125 10.629 8.185 1.00 35.03 O ATOM 2392 CB LYS C 243 -8.289 9.918 10.011 1.00 54.14 C ATOM 2393 CG LYS C 243 -7.267 8.845 10.314 1.00 41.45 C ATOM 2394 CD LYS C 243 -6.621 9.082 11.672 1.00 34.13 C ATOM 2395 CE LYS C 243 -7.652 9.149 12.798 1.00 11.01 C ATOM 2396 NZ LYS C 243 -7.017 9.389 14.101 1.00 43.13 N ATOM 0 H LYS C 243 -6.929 10.206 7.992 1.00 0.11 H new ATOM 0 HA LYS C 243 -9.327 8.881 8.441 1.00 51.13 H new ATOM 0 HB2 LYS C 243 -7.819 10.892 10.147 1.00 54.14 H new ATOM 0 HB3 LYS C 243 -9.093 9.847 10.744 1.00 54.14 H new ATOM 0 HG2 LYS C 243 -7.746 7.866 10.300 1.00 41.45 H new ATOM 0 HG3 LYS C 243 -6.501 8.836 9.538 1.00 41.45 H new ATOM 0 HD2 LYS C 243 -5.911 8.282 11.879 1.00 34.13 H new ATOM 0 HD3 LYS C 243 -6.054 10.012 11.645 1.00 34.13 H new ATOM 0 HE2 LYS C 243 -8.368 9.944 12.590 1.00 11.01 H new ATOM 0 HE3 LYS C 243 -8.214 8.216 12.833 1.00 11.01 H new ATOM 0 HZ1 LYS C 243 -7.736 9.344 14.851 1.00 43.13 H new ATOM 0 HZ2 LYS C 243 -6.292 8.664 14.273 1.00 43.13 H new ATOM 0 HZ3 LYS C 243 -6.573 10.330 14.103 1.00 43.13 H new ATOM 2410 N ASN C 244 -9.616 12.145 8.837 1.00 3.42 N ATOM 2411 CA ASN C 244 -10.519 13.275 8.753 1.00 13.50 C ATOM 2412 C ASN C 244 -9.719 14.498 8.448 1.00 10.10 C ATOM 2413 O ASN C 244 -8.931 14.949 9.281 1.00 30.44 O ATOM 2414 CB ASN C 244 -11.287 13.494 10.060 1.00 21.54 C ATOM 2415 CG ASN C 244 -12.300 14.638 9.950 1.00 72.41 C ATOM 2416 OD1 ASN C 244 -12.843 14.899 8.882 1.00 35.22 O ATOM 2417 ND2 ASN C 244 -12.563 15.315 11.044 1.00 65.01 N ATOM 0 H ASN C 244 -8.677 12.387 9.155 1.00 3.42 H new ATOM 0 HA ASN C 244 -11.249 13.073 7.969 1.00 13.50 H new ATOM 0 HB2 ASN C 244 -11.807 12.575 10.333 1.00 21.54 H new ATOM 0 HB3 ASN C 244 -10.582 13.711 10.862 1.00 21.54 H new ATOM 0 HD21 ASN C 244 -13.235 16.082 11.020 1.00 65.01 H new ATOM 0 HD22 ASN C 244 -12.095 15.074 11.918 1.00 65.01 H new ATOM 2424 N ASN C 245 -9.889 15.011 7.265 1.00 60.32 N ATOM 2425 CA ASN C 245 -9.162 16.181 6.817 1.00 33.23 C ATOM 2426 C ASN C 245 -9.741 16.612 5.493 1.00 42.44 C ATOM 2427 O ASN C 245 -10.153 17.751 5.328 1.00 32.44 O ATOM 2428 CB ASN C 245 -7.656 15.850 6.683 1.00 61.51 C ATOM 2429 CG ASN C 245 -6.763 17.041 6.339 1.00 71.40 C ATOM 2430 OD1 ASN C 245 -6.510 17.253 5.082 1.00 50.44 O flip ATOM 2431 ND2 ASN C 245 -6.279 17.742 7.228 1.00 65.53 N flip ATOM 0 H ASN C 245 -10.537 14.634 6.574 1.00 60.32 H new ATOM 0 HA ASN C 245 -9.258 16.992 7.539 1.00 33.23 H new ATOM 0 HB2 ASN C 245 -7.310 15.414 7.620 1.00 61.51 H new ATOM 0 HB3 ASN C 245 -7.534 15.088 5.913 1.00 61.51 H new ATOM 0 HD21 ASN C 245 -6.498 17.549 8.205 1.00 65.53 H new ATOM 0 HD22 ASN C 245 -5.659 18.516 6.987 1.00 65.53 H new ATOM 2438 N ASN C 246 -9.815 15.665 4.560 1.00 73.23 N ATOM 2439 CA ASN C 246 -10.385 15.911 3.235 1.00 35.00 C ATOM 2440 C ASN C 246 -10.959 14.661 2.624 1.00 42.45 C ATOM 2441 O ASN C 246 -12.175 14.498 2.545 1.00 25.33 O ATOM 2442 CB ASN C 246 -9.389 16.537 2.224 1.00 71.02 C ATOM 2443 CG ASN C 246 -9.080 17.988 2.463 1.00 43.02 C ATOM 2444 OD1 ASN C 246 -9.888 18.840 1.910 1.00 11.44 O flip ATOM 2445 ND2 ASN C 246 -8.133 18.331 3.137 1.00 71.33 N flip ATOM 0 H ASN C 246 -9.484 14.710 4.699 1.00 73.23 H new ATOM 0 HA ASN C 246 -11.177 16.636 3.420 1.00 35.00 H new ATOM 0 HB2 ASN C 246 -8.458 15.971 2.255 1.00 71.02 H new ATOM 0 HB3 ASN C 246 -9.796 16.427 1.219 1.00 71.02 H new ATOM 0 HD21 ASN C 246 -7.522 17.628 3.554 1.00 71.33 H new ATOM 0 HD22 ASN C 246 -7.947 19.322 3.288 1.00 71.33 H new ATOM 2452 N ARG C 247 -10.071 13.770 2.210 1.00 65.04 N ATOM 2453 CA ARG C 247 -10.413 12.585 1.433 1.00 63.13 C ATOM 2454 C ARG C 247 -9.208 11.639 1.341 1.00 13.11 C ATOM 2455 O ARG C 247 -8.405 11.611 2.238 1.00 74.15 O ATOM 2456 CB ARG C 247 -10.944 13.026 0.045 1.00 51.00 C ATOM 2457 CG ARG C 247 -10.206 14.181 -0.671 1.00 63.12 C ATOM 2458 CD ARG C 247 -8.771 13.870 -1.020 1.00 74.12 C ATOM 2459 NE ARG C 247 -8.105 15.014 -1.641 1.00 41.42 N ATOM 2460 CZ ARG C 247 -6.929 14.966 -2.269 1.00 60.53 C ATOM 2461 NH1 ARG C 247 -6.306 13.807 -2.460 1.00 63.31 N ATOM 2462 NH2 ARG C 247 -6.392 16.069 -2.734 1.00 30.44 N ATOM 0 H ARG C 247 -9.074 13.850 2.408 1.00 65.04 H new ATOM 0 HA ARG C 247 -11.205 12.022 1.927 1.00 63.13 H new ATOM 0 HB2 ARG C 247 -10.926 12.157 -0.613 1.00 51.00 H new ATOM 0 HB3 ARG C 247 -11.988 13.316 0.162 1.00 51.00 H new ATOM 0 HG2 ARG C 247 -10.745 14.432 -1.585 1.00 63.12 H new ATOM 0 HG3 ARG C 247 -10.231 15.065 -0.033 1.00 63.12 H new ATOM 0 HD2 ARG C 247 -8.232 13.581 -0.118 1.00 74.12 H new ATOM 0 HD3 ARG C 247 -8.738 13.018 -1.698 1.00 74.12 H new ATOM 0 HE ARG C 247 -8.575 15.918 -1.590 1.00 41.42 H new ATOM 0 HH11 ARG C 247 -6.727 12.940 -2.125 1.00 63.31 H new ATOM 0 HH12 ARG C 247 -5.407 13.784 -2.942 1.00 63.31 H new ATOM 0 HH21 ARG C 247 -6.874 16.960 -2.615 1.00 30.44 H new ATOM 0 HH22 ARG C 247 -5.493 16.035 -3.215 1.00 30.44 H new ATOM 2476 N GLN C 248 -9.082 10.874 0.286 1.00 72.42 N ATOM 2477 CA GLN C 248 -7.939 9.996 0.162 1.00 1.50 C ATOM 2478 C GLN C 248 -6.876 10.676 -0.683 1.00 11.14 C ATOM 2479 O GLN C 248 -7.179 11.287 -1.709 1.00 24.50 O ATOM 2480 CB GLN C 248 -8.335 8.631 -0.428 1.00 71.33 C ATOM 2481 CG GLN C 248 -7.161 7.673 -0.600 1.00 44.42 C ATOM 2482 CD GLN C 248 -7.545 6.294 -1.106 1.00 22.32 C ATOM 2483 OE1 GLN C 248 -6.885 5.301 -0.795 1.00 1.20 O ATOM 2484 NE2 GLN C 248 -8.584 6.209 -1.872 1.00 52.32 N ATOM 0 H GLN C 248 -9.743 10.838 -0.490 1.00 72.42 H new ATOM 0 HA GLN C 248 -7.535 9.801 1.155 1.00 1.50 H new ATOM 0 HB2 GLN C 248 -9.079 8.167 0.220 1.00 71.33 H new ATOM 0 HB3 GLN C 248 -8.809 8.788 -1.397 1.00 71.33 H new ATOM 0 HG2 GLN C 248 -6.446 8.115 -1.294 1.00 44.42 H new ATOM 0 HG3 GLN C 248 -6.652 7.566 0.358 1.00 44.42 H new ATOM 0 HE21 GLN C 248 -9.111 7.049 -2.112 1.00 52.32 H new ATOM 0 HE22 GLN C 248 -8.877 5.302 -2.236 1.00 52.32 H new ATOM 2493 N VAL C 249 -5.657 10.603 -0.225 1.00 44.30 N ATOM 2494 CA VAL C 249 -4.541 11.280 -0.844 1.00 60.01 C ATOM 2495 C VAL C 249 -3.544 10.300 -1.417 1.00 75.03 C ATOM 2496 O VAL C 249 -3.475 9.157 -1.005 1.00 60.44 O ATOM 2497 CB VAL C 249 -3.825 12.274 0.125 1.00 55.34 C ATOM 2498 CG1 VAL C 249 -4.739 13.426 0.484 1.00 34.31 C ATOM 2499 CG2 VAL C 249 -3.335 11.582 1.398 1.00 25.11 C ATOM 0 H VAL C 249 -5.402 10.064 0.602 1.00 44.30 H new ATOM 0 HA VAL C 249 -4.963 11.866 -1.660 1.00 60.01 H new ATOM 0 HB VAL C 249 -2.953 12.659 -0.403 1.00 55.34 H new ATOM 0 HG11 VAL C 249 -4.220 14.106 1.160 1.00 34.31 H new ATOM 0 HG12 VAL C 249 -5.023 13.961 -0.422 1.00 34.31 H new ATOM 0 HG13 VAL C 249 -5.634 13.042 0.973 1.00 34.31 H new ATOM 0 HG21 VAL C 249 -2.844 12.311 2.042 1.00 25.11 H new ATOM 0 HG22 VAL C 249 -4.184 11.146 1.925 1.00 25.11 H new ATOM 0 HG23 VAL C 249 -2.628 10.795 1.135 1.00 25.11 H new ATOM 2509 N CYS C 250 -2.790 10.741 -2.341 1.00 65.24 N ATOM 2510 CA CYS C 250 -1.823 9.909 -2.977 1.00 35.42 C ATOM 2511 C CYS C 250 -0.492 10.265 -2.404 1.00 24.41 C ATOM 2512 O CYS C 250 -0.150 11.401 -2.362 1.00 43.42 O ATOM 2513 CB CYS C 250 -1.828 10.190 -4.456 1.00 11.11 C ATOM 2514 SG CYS C 250 -3.455 9.961 -5.255 1.00 41.24 S ATOM 0 H CYS C 250 -2.817 11.699 -2.690 1.00 65.24 H new ATOM 0 HA CYS C 250 -2.043 8.853 -2.818 1.00 35.42 H new ATOM 0 HB2 CYS C 250 -1.496 11.215 -4.621 1.00 11.11 H new ATOM 0 HB3 CYS C 250 -1.102 9.537 -4.941 1.00 11.11 H new ATOM 2519 N ILE C 251 0.252 9.308 -1.978 1.00 4.43 N ATOM 2520 CA ILE C 251 1.466 9.590 -1.272 1.00 3.23 C ATOM 2521 C ILE C 251 2.665 9.307 -2.144 1.00 10.03 C ATOM 2522 O ILE C 251 2.672 8.356 -2.930 1.00 21.13 O ATOM 2523 CB ILE C 251 1.580 8.724 0.019 1.00 72.14 C ATOM 2524 CG1 ILE C 251 0.341 8.853 0.895 1.00 12.31 C ATOM 2525 CG2 ILE C 251 2.799 9.118 0.821 1.00 71.15 C ATOM 2526 CD1 ILE C 251 0.064 10.254 1.392 1.00 33.54 C ATOM 0 H ILE C 251 0.047 8.317 -2.103 1.00 4.43 H new ATOM 0 HA ILE C 251 1.444 10.645 -1.000 1.00 3.23 H new ATOM 0 HB ILE C 251 1.672 7.686 -0.301 1.00 72.14 H new ATOM 0 HG12 ILE C 251 -0.524 8.504 0.331 1.00 12.31 H new ATOM 0 HG13 ILE C 251 0.449 8.192 1.755 1.00 12.31 H new ATOM 0 HG21 ILE C 251 2.859 8.501 1.718 1.00 71.15 H new ATOM 0 HG22 ILE C 251 3.695 8.970 0.218 1.00 71.15 H new ATOM 0 HG23 ILE C 251 2.723 10.167 1.107 1.00 71.15 H new ATOM 0 HD11 ILE C 251 -0.836 10.251 2.007 1.00 33.54 H new ATOM 0 HD12 ILE C 251 0.908 10.603 1.986 1.00 33.54 H new ATOM 0 HD13 ILE C 251 -0.080 10.920 0.541 1.00 33.54 H new ATOM 2538 N ASP C 252 3.648 10.156 -2.024 1.00 5.24 N ATOM 2539 CA ASP C 252 4.917 9.964 -2.684 1.00 15.21 C ATOM 2540 C ASP C 252 5.641 8.775 -2.047 1.00 63.42 C ATOM 2541 O ASP C 252 5.877 8.766 -0.834 1.00 62.32 O ATOM 2542 CB ASP C 252 5.763 11.223 -2.556 1.00 4.45 C ATOM 2543 CG ASP C 252 7.128 11.066 -3.161 1.00 61.41 C ATOM 2544 OD1 ASP C 252 7.277 11.257 -4.395 1.00 4.23 O ATOM 2545 OD2 ASP C 252 8.066 10.783 -2.424 1.00 71.32 O ATOM 0 H ASP C 252 3.595 11.006 -1.463 1.00 5.24 H new ATOM 0 HA ASP C 252 4.752 9.761 -3.742 1.00 15.21 H new ATOM 0 HB2 ASP C 252 5.248 12.053 -3.040 1.00 4.45 H new ATOM 0 HB3 ASP C 252 5.864 11.482 -1.502 1.00 4.45 H new ATOM 2550 N PRO C 253 6.006 7.764 -2.845 1.00 3.04 N ATOM 2551 CA PRO C 253 6.637 6.535 -2.338 1.00 45.31 C ATOM 2552 C PRO C 253 8.132 6.691 -2.086 1.00 12.35 C ATOM 2553 O PRO C 253 8.858 5.707 -2.010 1.00 3.41 O ATOM 2554 CB PRO C 253 6.415 5.553 -3.473 1.00 64.11 C ATOM 2555 CG PRO C 253 6.424 6.394 -4.708 1.00 51.21 C ATOM 2556 CD PRO C 253 5.832 7.722 -4.316 1.00 51.13 C ATOM 0 HA PRO C 253 6.217 6.235 -1.378 1.00 45.31 H new ATOM 0 HB2 PRO C 253 7.200 4.797 -3.502 1.00 64.11 H new ATOM 0 HB3 PRO C 253 5.468 5.025 -3.360 1.00 64.11 H new ATOM 0 HG2 PRO C 253 7.438 6.517 -5.088 1.00 51.21 H new ATOM 0 HG3 PRO C 253 5.841 5.927 -5.501 1.00 51.21 H new ATOM 0 HD2 PRO C 253 6.347 8.550 -4.804 1.00 51.13 H new ATOM 0 HD3 PRO C 253 4.781 7.790 -4.597 1.00 51.13 H new ATOM 2564 N LYS C 254 8.585 7.910 -1.980 1.00 32.43 N ATOM 2565 CA LYS C 254 9.969 8.179 -1.724 1.00 42.10 C ATOM 2566 C LYS C 254 10.109 8.947 -0.415 1.00 43.41 C ATOM 2567 O LYS C 254 11.212 9.360 -0.019 1.00 65.40 O ATOM 2568 CB LYS C 254 10.558 8.951 -2.894 1.00 43.04 C ATOM 2569 CG LYS C 254 10.472 8.199 -4.228 1.00 41.54 C ATOM 2570 CD LYS C 254 11.006 9.029 -5.377 1.00 13.22 C ATOM 2571 CE LYS C 254 10.188 10.294 -5.563 1.00 30.10 C ATOM 2572 NZ LYS C 254 10.780 11.188 -6.566 1.00 12.24 N ATOM 0 H LYS C 254 8.003 8.743 -2.069 1.00 32.43 H new ATOM 0 HA LYS C 254 10.521 7.245 -1.623 1.00 42.10 H new ATOM 0 HB2 LYS C 254 10.038 9.904 -2.989 1.00 43.04 H new ATOM 0 HB3 LYS C 254 11.603 9.178 -2.680 1.00 43.04 H new ATOM 0 HG2 LYS C 254 11.037 7.269 -4.158 1.00 41.54 H new ATOM 0 HG3 LYS C 254 9.435 7.928 -4.426 1.00 41.54 H new ATOM 0 HD2 LYS C 254 12.047 9.290 -5.188 1.00 13.22 H new ATOM 0 HD3 LYS C 254 10.986 8.441 -6.295 1.00 13.22 H new ATOM 0 HE2 LYS C 254 9.175 10.030 -5.866 1.00 30.10 H new ATOM 0 HE3 LYS C 254 10.110 10.819 -4.611 1.00 30.10 H new ATOM 0 HZ1 LYS C 254 10.036 11.781 -6.985 1.00 12.24 H new ATOM 0 HZ2 LYS C 254 11.493 11.795 -6.113 1.00 12.24 H new ATOM 0 HZ3 LYS C 254 11.232 10.622 -7.312 1.00 12.24 H new ATOM 2586 N LEU C 255 8.977 9.129 0.255 1.00 65.15 N ATOM 2587 CA LEU C 255 8.925 9.779 1.550 1.00 11.00 C ATOM 2588 C LEU C 255 9.635 8.993 2.591 1.00 62.44 C ATOM 2589 O LEU C 255 9.506 7.783 2.646 1.00 14.14 O ATOM 2590 CB LEU C 255 7.496 10.024 1.989 1.00 73.22 C ATOM 2591 CG LEU C 255 6.812 11.209 1.363 1.00 1.02 C ATOM 2592 CD1 LEU C 255 5.355 11.221 1.762 1.00 62.03 C ATOM 2593 CD2 LEU C 255 7.477 12.460 1.873 1.00 52.24 C ATOM 0 H LEU C 255 8.066 8.826 -0.091 1.00 65.15 H new ATOM 0 HA LEU C 255 9.430 10.738 1.435 1.00 11.00 H new ATOM 0 HB2 LEU C 255 6.910 9.132 1.768 1.00 73.22 H new ATOM 0 HB3 LEU C 255 7.485 10.152 3.071 1.00 73.22 H new ATOM 0 HG LEU C 255 6.885 11.154 0.277 1.00 1.02 H new ATOM 0 HD11 LEU C 255 4.861 12.080 1.308 1.00 62.03 H new ATOM 0 HD12 LEU C 255 4.876 10.304 1.419 1.00 62.03 H new ATOM 0 HD13 LEU C 255 5.275 11.288 2.847 1.00 62.03 H new ATOM 0 HD21 LEU C 255 6.997 13.333 1.432 1.00 52.24 H new ATOM 0 HD22 LEU C 255 7.385 12.505 2.958 1.00 52.24 H new ATOM 0 HD23 LEU C 255 8.532 12.449 1.599 1.00 52.24 H new ATOM 2605 N LYS C 256 10.346 9.701 3.459 1.00 21.42 N ATOM 2606 CA LYS C 256 11.147 9.083 4.489 1.00 52.24 C ATOM 2607 C LYS C 256 10.275 8.182 5.352 1.00 44.44 C ATOM 2608 O LYS C 256 10.645 7.054 5.600 1.00 0.30 O ATOM 2609 CB LYS C 256 11.909 10.176 5.300 1.00 74.00 C ATOM 2610 CG LYS C 256 13.005 9.711 6.294 1.00 62.13 C ATOM 2611 CD LYS C 256 12.491 9.092 7.583 1.00 21.15 C ATOM 2612 CE LYS C 256 13.667 8.808 8.518 1.00 22.32 C ATOM 2613 NZ LYS C 256 13.255 8.237 9.823 1.00 11.11 N ATOM 0 H LYS C 256 10.379 10.720 3.463 1.00 21.42 H new ATOM 0 HA LYS C 256 11.909 8.443 4.044 1.00 52.24 H new ATOM 0 HB2 LYS C 256 12.372 10.859 4.588 1.00 74.00 H new ATOM 0 HB3 LYS C 256 11.172 10.751 5.860 1.00 74.00 H new ATOM 0 HG2 LYS C 256 13.644 8.985 5.791 1.00 62.13 H new ATOM 0 HG3 LYS C 256 13.631 10.567 6.546 1.00 62.13 H new ATOM 0 HD2 LYS C 256 11.784 9.766 8.066 1.00 21.15 H new ATOM 0 HD3 LYS C 256 11.954 8.169 7.366 1.00 21.15 H new ATOM 0 HE2 LYS C 256 14.353 8.118 8.028 1.00 22.32 H new ATOM 0 HE3 LYS C 256 14.216 9.734 8.691 1.00 22.32 H new ATOM 0 HZ1 LYS C 256 13.634 8.824 10.594 1.00 11.11 H new ATOM 0 HZ2 LYS C 256 12.217 8.217 9.881 1.00 11.11 H new ATOM 0 HZ3 LYS C 256 13.625 7.269 9.911 1.00 11.11 H new ATOM 2627 N TRP C 257 9.079 8.653 5.738 1.00 1.34 N ATOM 2628 CA TRP C 257 8.207 7.819 6.561 1.00 41.43 C ATOM 2629 C TRP C 257 7.639 6.625 5.793 1.00 31.33 C ATOM 2630 O TRP C 257 7.343 5.591 6.386 1.00 71.44 O ATOM 2631 CB TRP C 257 7.114 8.596 7.332 1.00 5.51 C ATOM 2632 CG TRP C 257 6.033 9.292 6.534 1.00 52.31 C ATOM 2633 CD1 TRP C 257 6.013 10.592 6.110 1.00 11.31 C ATOM 2634 CD2 TRP C 257 4.781 8.722 6.112 1.00 62.34 C ATOM 2635 NE1 TRP C 257 4.825 10.859 5.483 1.00 52.13 N ATOM 2636 CE2 TRP C 257 4.060 9.733 5.459 1.00 64.20 C ATOM 2637 CE3 TRP C 257 4.202 7.454 6.225 1.00 42.32 C ATOM 2638 CZ2 TRP C 257 2.789 9.523 4.925 1.00 64.04 C ATOM 2639 CZ3 TRP C 257 2.943 7.249 5.698 1.00 41.34 C ATOM 2640 CH2 TRP C 257 2.253 8.281 5.054 1.00 65.54 C ATOM 0 H TRP C 257 8.708 9.573 5.501 1.00 1.34 H new ATOM 0 HA TRP C 257 8.863 7.420 7.335 1.00 41.43 H new ATOM 0 HB2 TRP C 257 6.627 7.898 8.013 1.00 5.51 H new ATOM 0 HB3 TRP C 257 7.610 9.347 7.946 1.00 5.51 H new ATOM 0 HD1 TRP C 257 6.815 11.302 6.249 1.00 11.31 H new ATOM 0 HE1 TRP C 257 4.555 11.762 5.094 1.00 52.13 H new ATOM 0 HE3 TRP C 257 4.730 6.650 6.716 1.00 42.32 H new ATOM 0 HZ2 TRP C 257 2.251 10.317 4.428 1.00 64.04 H new ATOM 0 HZ3 TRP C 257 2.483 6.276 5.784 1.00 41.34 H new ATOM 0 HH2 TRP C 257 1.271 8.086 4.650 1.00 65.54 H new ATOM 2651 N ILE C 258 7.499 6.765 4.477 1.00 14.34 N ATOM 2652 CA ILE C 258 7.053 5.653 3.645 1.00 24.44 C ATOM 2653 C ILE C 258 8.128 4.589 3.617 1.00 42.34 C ATOM 2654 O ILE C 258 7.843 3.406 3.808 1.00 61.02 O ATOM 2655 CB ILE C 258 6.675 6.089 2.182 1.00 43.44 C ATOM 2656 CG1 ILE C 258 5.416 6.970 2.182 1.00 35.32 C ATOM 2657 CG2 ILE C 258 6.481 4.873 1.274 1.00 20.42 C ATOM 2658 CD1 ILE C 258 4.188 6.239 2.633 1.00 22.30 C ATOM 0 H ILE C 258 7.686 7.629 3.969 1.00 14.34 H new ATOM 0 HA ILE C 258 6.140 5.257 4.090 1.00 24.44 H new ATOM 0 HB ILE C 258 7.504 6.675 1.786 1.00 43.44 H new ATOM 0 HG12 ILE C 258 5.580 7.829 2.833 1.00 35.32 H new ATOM 0 HG13 ILE C 258 5.252 7.359 1.177 1.00 35.32 H new ATOM 0 HG21 ILE C 258 6.221 5.207 0.270 1.00 20.42 H new ATOM 0 HG22 ILE C 258 7.405 4.296 1.236 1.00 20.42 H new ATOM 0 HG23 ILE C 258 5.679 4.249 1.668 1.00 20.42 H new ATOM 0 HD11 ILE C 258 3.333 6.915 2.611 1.00 22.30 H new ATOM 0 HD12 ILE C 258 4.001 5.396 1.967 1.00 22.30 H new ATOM 0 HD13 ILE C 258 4.335 5.873 3.649 1.00 22.30 H new ATOM 2670 N GLN C 259 9.368 5.026 3.421 1.00 2.14 N ATOM 2671 CA GLN C 259 10.512 4.129 3.388 1.00 61.12 C ATOM 2672 C GLN C 259 10.582 3.359 4.689 1.00 30.43 C ATOM 2673 O GLN C 259 10.659 2.143 4.691 1.00 2.42 O ATOM 2674 CB GLN C 259 11.822 4.904 3.207 1.00 62.41 C ATOM 2675 CG GLN C 259 11.791 5.959 2.118 1.00 34.51 C ATOM 2676 CD GLN C 259 11.240 5.470 0.798 1.00 73.05 C ATOM 2677 OE1 GLN C 259 12.080 4.963 -0.047 1.00 50.50 O flip ATOM 2678 NE2 GLN C 259 10.057 5.552 0.557 1.00 30.43 N flip ATOM 0 H GLN C 259 9.605 6.008 3.281 1.00 2.14 H new ATOM 0 HA GLN C 259 10.386 3.451 2.544 1.00 61.12 H new ATOM 0 HB2 GLN C 259 12.077 5.384 4.152 1.00 62.41 H new ATOM 0 HB3 GLN C 259 12.619 4.195 2.984 1.00 62.41 H new ATOM 0 HG2 GLN C 259 11.190 6.801 2.460 1.00 34.51 H new ATOM 0 HG3 GLN C 259 12.803 6.333 1.961 1.00 34.51 H new ATOM 0 HE21 GLN C 259 9.423 5.957 1.246 1.00 30.43 H new ATOM 0 HE22 GLN C 259 9.694 5.216 -0.335 1.00 30.43 H new ATOM 2687 N GLU C 260 10.513 4.100 5.790 1.00 43.35 N ATOM 2688 CA GLU C 260 10.527 3.540 7.142 1.00 62.40 C ATOM 2689 C GLU C 260 9.423 2.510 7.292 1.00 32.04 C ATOM 2690 O GLU C 260 9.646 1.426 7.809 1.00 25.42 O ATOM 2691 CB GLU C 260 10.271 4.658 8.151 1.00 70.14 C ATOM 2692 CG GLU C 260 11.279 5.768 8.133 1.00 2.35 C ATOM 2693 CD GLU C 260 12.606 5.380 8.671 1.00 1.32 C ATOM 2694 OE1 GLU C 260 12.807 5.547 9.881 1.00 34.01 O ATOM 2695 OE2 GLU C 260 13.480 4.962 7.909 1.00 1.54 O ATOM 0 H GLU C 260 10.445 5.118 5.771 1.00 43.35 H new ATOM 0 HA GLU C 260 11.496 3.073 7.318 1.00 62.40 H new ATOM 0 HB2 GLU C 260 9.284 5.080 7.961 1.00 70.14 H new ATOM 0 HB3 GLU C 260 10.246 4.226 9.151 1.00 70.14 H new ATOM 0 HG2 GLU C 260 11.401 6.119 7.108 1.00 2.35 H new ATOM 0 HG3 GLU C 260 10.893 6.606 8.713 1.00 2.35 H new ATOM 2702 N TYR C 261 8.234 2.857 6.827 1.00 64.41 N ATOM 2703 CA TYR C 261 7.095 1.990 6.959 1.00 12.05 C ATOM 2704 C TYR C 261 7.327 0.693 6.198 1.00 42.22 C ATOM 2705 O TYR C 261 7.121 -0.402 6.747 1.00 44.14 O ATOM 2706 CB TYR C 261 5.816 2.670 6.472 1.00 13.12 C ATOM 2707 CG TYR C 261 4.594 1.881 6.822 1.00 64.34 C ATOM 2708 CD1 TYR C 261 4.077 1.965 8.091 1.00 23.22 C ATOM 2709 CD2 TYR C 261 3.977 1.033 5.915 1.00 45.35 C ATOM 2710 CE1 TYR C 261 2.986 1.243 8.470 1.00 1.33 C ATOM 2711 CE2 TYR C 261 2.886 0.295 6.284 1.00 4.33 C ATOM 2712 CZ TYR C 261 2.389 0.403 7.567 1.00 43.32 C ATOM 2713 OH TYR C 261 1.306 -0.351 7.947 1.00 65.23 O ATOM 0 H TYR C 261 8.041 3.740 6.354 1.00 64.41 H new ATOM 0 HA TYR C 261 6.970 1.763 8.018 1.00 12.05 H new ATOM 0 HB2 TYR C 261 5.744 3.665 6.912 1.00 13.12 H new ATOM 0 HB3 TYR C 261 5.865 2.803 5.391 1.00 13.12 H new ATOM 0 HD1 TYR C 261 4.548 2.621 8.808 1.00 23.22 H new ATOM 0 HD2 TYR C 261 4.361 0.954 4.909 1.00 45.35 H new ATOM 0 HE1 TYR C 261 2.595 1.332 9.473 1.00 1.33 H new ATOM 0 HE2 TYR C 261 2.416 -0.369 5.574 1.00 4.33 H new ATOM 0 HH TYR C 261 0.500 0.206 7.938 1.00 65.23 H new ATOM 2723 N LEU C 262 7.767 0.824 4.953 1.00 34.54 N ATOM 2724 CA LEU C 262 8.072 -0.322 4.117 1.00 3.13 C ATOM 2725 C LEU C 262 9.152 -1.168 4.775 1.00 74.22 C ATOM 2726 O LEU C 262 8.974 -2.362 4.963 1.00 61.43 O ATOM 2727 CB LEU C 262 8.546 0.130 2.722 1.00 14.32 C ATOM 2728 CG LEU C 262 7.546 0.937 1.877 1.00 35.24 C ATOM 2729 CD1 LEU C 262 8.187 1.378 0.572 1.00 72.43 C ATOM 2730 CD2 LEU C 262 6.298 0.119 1.589 1.00 15.30 C ATOM 0 H LEU C 262 7.921 1.724 4.499 1.00 34.54 H new ATOM 0 HA LEU C 262 7.165 -0.915 4.001 1.00 3.13 H new ATOM 0 HB2 LEU C 262 9.447 0.731 2.848 1.00 14.32 H new ATOM 0 HB3 LEU C 262 8.831 -0.757 2.156 1.00 14.32 H new ATOM 0 HG LEU C 262 7.259 1.820 2.447 1.00 35.24 H new ATOM 0 HD11 LEU C 262 7.465 1.948 -0.014 1.00 72.43 H new ATOM 0 HD12 LEU C 262 9.055 2.002 0.786 1.00 72.43 H new ATOM 0 HD13 LEU C 262 8.501 0.501 0.006 1.00 72.43 H new ATOM 0 HD21 LEU C 262 5.605 0.710 0.990 1.00 15.30 H new ATOM 0 HD22 LEU C 262 6.572 -0.783 1.042 1.00 15.30 H new ATOM 0 HD23 LEU C 262 5.820 -0.158 2.528 1.00 15.30 H new ATOM 2742 N GLU C 263 10.239 -0.514 5.171 1.00 10.13 N ATOM 2743 CA GLU C 263 11.380 -1.166 5.793 1.00 73.42 C ATOM 2744 C GLU C 263 11.021 -1.906 7.086 1.00 62.23 C ATOM 2745 O GLU C 263 11.462 -3.037 7.298 1.00 24.04 O ATOM 2746 CB GLU C 263 12.538 -0.174 6.027 1.00 70.41 C ATOM 2747 CG GLU C 263 13.203 0.333 4.747 1.00 63.41 C ATOM 2748 CD GLU C 263 14.452 1.152 5.014 1.00 42.04 C ATOM 2749 OE1 GLU C 263 14.358 2.379 5.217 1.00 12.34 O ATOM 2750 OE2 GLU C 263 15.561 0.560 5.040 1.00 54.42 O ATOM 0 H GLU C 263 10.351 0.494 5.067 1.00 10.13 H new ATOM 0 HA GLU C 263 11.715 -1.925 5.085 1.00 73.42 H new ATOM 0 HB2 GLU C 263 12.161 0.680 6.589 1.00 70.41 H new ATOM 0 HB3 GLU C 263 13.293 -0.656 6.648 1.00 70.41 H new ATOM 0 HG2 GLU C 263 13.461 -0.518 4.116 1.00 63.41 H new ATOM 0 HG3 GLU C 263 12.490 0.939 4.189 1.00 63.41 H new ATOM 2757 N LYS C 264 10.215 -1.291 7.932 1.00 12.31 N ATOM 2758 CA LYS C 264 9.863 -1.907 9.210 1.00 12.35 C ATOM 2759 C LYS C 264 8.804 -2.999 9.049 1.00 43.13 C ATOM 2760 O LYS C 264 8.662 -3.854 9.916 1.00 24.14 O ATOM 2761 CB LYS C 264 9.424 -0.861 10.244 1.00 65.14 C ATOM 2762 CG LYS C 264 10.451 0.241 10.476 1.00 54.11 C ATOM 2763 CD LYS C 264 11.798 -0.300 10.931 1.00 13.31 C ATOM 2764 CE LYS C 264 12.816 0.821 11.011 1.00 13.20 C ATOM 2765 NZ LYS C 264 14.152 0.350 11.431 1.00 22.25 N ATOM 0 H LYS C 264 9.793 -0.377 7.766 1.00 12.31 H new ATOM 0 HA LYS C 264 10.768 -2.384 9.585 1.00 12.35 H new ATOM 0 HB2 LYS C 264 8.488 -0.409 9.916 1.00 65.14 H new ATOM 0 HB3 LYS C 264 9.222 -1.362 11.191 1.00 65.14 H new ATOM 0 HG2 LYS C 264 10.584 0.808 9.555 1.00 54.11 H new ATOM 0 HG3 LYS C 264 10.071 0.935 11.225 1.00 54.11 H new ATOM 0 HD2 LYS C 264 11.695 -0.777 11.906 1.00 13.31 H new ATOM 0 HD3 LYS C 264 12.144 -1.065 10.236 1.00 13.31 H new ATOM 0 HE2 LYS C 264 12.895 1.304 10.037 1.00 13.20 H new ATOM 0 HE3 LYS C 264 12.464 1.576 11.714 1.00 13.20 H new ATOM 0 HZ1 LYS C 264 14.808 1.156 11.469 1.00 22.25 H new ATOM 0 HZ2 LYS C 264 14.086 -0.087 12.372 1.00 22.25 H new ATOM 0 HZ3 LYS C 264 14.504 -0.351 10.748 1.00 22.25 H new ATOM 2779 N CYS C 265 8.065 -2.963 7.951 1.00 23.14 N ATOM 2780 CA CYS C 265 7.071 -3.994 7.647 1.00 2.12 C ATOM 2781 C CYS C 265 7.764 -5.370 7.501 1.00 43.44 C ATOM 2782 O CYS C 265 7.215 -6.384 7.906 1.00 22.35 O ATOM 2783 CB CYS C 265 6.257 -3.622 6.387 1.00 24.22 C ATOM 2784 SG CYS C 265 4.864 -4.747 5.990 1.00 71.44 S ATOM 0 H CYS C 265 8.132 -2.227 7.248 1.00 23.14 H new ATOM 0 HA CYS C 265 6.364 -4.060 8.474 1.00 2.12 H new ATOM 0 HB2 CYS C 265 5.863 -2.614 6.514 1.00 24.22 H new ATOM 0 HB3 CYS C 265 6.934 -3.594 5.533 1.00 24.22 H new ATOM 2789 N LEU C 266 9.004 -5.373 6.955 1.00 11.43 N ATOM 2790 CA LEU C 266 9.833 -6.612 6.876 1.00 74.34 C ATOM 2791 C LEU C 266 10.100 -7.192 8.276 1.00 51.42 C ATOM 2792 O LEU C 266 10.277 -8.395 8.438 1.00 70.23 O ATOM 2793 CB LEU C 266 11.224 -6.365 6.208 1.00 25.15 C ATOM 2794 CG LEU C 266 11.311 -6.067 4.698 1.00 41.03 C ATOM 2795 CD1 LEU C 266 10.691 -7.164 3.881 1.00 73.31 C ATOM 2796 CD2 LEU C 266 10.735 -4.727 4.337 1.00 31.13 C ATOM 0 H LEU C 266 9.453 -4.544 6.565 1.00 11.43 H new ATOM 0 HA LEU C 266 9.255 -7.307 6.267 1.00 74.34 H new ATOM 0 HB2 LEU C 266 11.691 -5.530 6.731 1.00 25.15 H new ATOM 0 HB3 LEU C 266 11.837 -7.245 6.401 1.00 25.15 H new ATOM 0 HG LEU C 266 12.373 -6.027 4.455 1.00 41.03 H new ATOM 0 HD11 LEU C 266 10.771 -6.919 2.822 1.00 73.31 H new ATOM 0 HD12 LEU C 266 11.211 -8.102 4.077 1.00 73.31 H new ATOM 0 HD13 LEU C 266 9.640 -7.269 4.151 1.00 73.31 H new ATOM 0 HD21 LEU C 266 10.823 -4.571 3.262 1.00 31.13 H new ATOM 0 HD22 LEU C 266 9.684 -4.694 4.623 1.00 31.13 H new ATOM 0 HD23 LEU C 266 11.280 -3.943 4.863 1.00 31.13 H new ATOM 2808 N ASN C 267 10.131 -6.318 9.260 1.00 73.15 N ATOM 2809 CA ASN C 267 10.459 -6.685 10.636 1.00 63.43 C ATOM 2810 C ASN C 267 9.215 -7.049 11.437 1.00 72.43 C ATOM 2811 O ASN C 267 9.178 -8.075 12.122 1.00 12.11 O ATOM 2812 CB ASN C 267 11.177 -5.506 11.313 1.00 24.35 C ATOM 2813 CG ASN C 267 11.520 -5.724 12.794 1.00 13.50 C ATOM 2814 OD1 ASN C 267 11.519 -4.770 13.572 1.00 73.21 O ATOM 2815 ND2 ASN C 267 11.841 -6.932 13.188 1.00 54.40 N ATOM 0 H ASN C 267 9.929 -5.326 9.135 1.00 73.15 H new ATOM 0 HA ASN C 267 11.105 -7.562 10.608 1.00 63.43 H new ATOM 0 HB2 ASN C 267 12.098 -5.299 10.768 1.00 24.35 H new ATOM 0 HB3 ASN C 267 10.549 -4.619 11.227 1.00 24.35 H new ATOM 0 HD21 ASN C 267 12.098 -7.100 14.161 1.00 54.40 H new ATOM 0 HD22 ASN C 267 11.833 -7.705 12.522 1.00 54.40 H new ATOM 2822 N LYS C 268 8.203 -6.217 11.361 1.00 74.13 N ATOM 2823 CA LYS C 268 7.021 -6.419 12.167 1.00 53.13 C ATOM 2824 C LYS C 268 5.979 -7.330 11.511 1.00 53.42 C ATOM 2825 O LYS C 268 5.181 -6.898 10.667 1.00 25.45 O ATOM 2826 CB LYS C 268 6.433 -5.085 12.619 1.00 25.42 C ATOM 2827 CG LYS C 268 5.950 -4.150 11.527 1.00 23.44 C ATOM 2828 CD LYS C 268 5.559 -2.866 12.160 1.00 12.13 C ATOM 2829 CE LYS C 268 4.893 -1.892 11.218 1.00 61.13 C ATOM 2830 NZ LYS C 268 4.423 -0.696 11.961 1.00 22.02 N ATOM 0 H LYS C 268 8.173 -5.398 10.753 1.00 74.13 H new ATOM 0 HA LYS C 268 7.340 -6.960 13.058 1.00 53.13 H new ATOM 0 HB2 LYS C 268 5.596 -5.290 13.286 1.00 25.42 H new ATOM 0 HB3 LYS C 268 7.188 -4.562 13.206 1.00 25.42 H new ATOM 0 HG2 LYS C 268 6.736 -3.987 10.790 1.00 23.44 H new ATOM 0 HG3 LYS C 268 5.103 -4.587 10.998 1.00 23.44 H new ATOM 0 HD2 LYS C 268 4.883 -3.073 12.989 1.00 12.13 H new ATOM 0 HD3 LYS C 268 6.447 -2.396 12.583 1.00 12.13 H new ATOM 0 HE2 LYS C 268 5.594 -1.592 10.439 1.00 61.13 H new ATOM 0 HE3 LYS C 268 4.051 -2.374 10.721 1.00 61.13 H new ATOM 0 HZ1 LYS C 268 4.572 0.154 11.380 1.00 22.02 H new ATOM 0 HZ2 LYS C 268 3.410 -0.796 12.175 1.00 22.02 H new ATOM 0 HZ3 LYS C 268 4.957 -0.607 12.849 1.00 22.02 H new ATOM 2914 N ILE D 306 4.523 -6.025 -11.798 1.00 22.11 N ATOM 2915 CA ILE D 306 3.574 -5.417 -10.927 1.00 34.33 C ATOM 2916 C ILE D 306 2.548 -6.492 -10.585 1.00 2.21 C ATOM 2917 O ILE D 306 2.876 -7.685 -10.627 1.00 21.03 O ATOM 2918 CB ILE D 306 2.900 -4.212 -11.627 1.00 1.43 C ATOM 2919 CG1 ILE D 306 2.189 -4.627 -12.922 1.00 34.54 C ATOM 2920 CG2 ILE D 306 3.931 -3.135 -11.914 1.00 51.24 C ATOM 2921 CD1 ILE D 306 1.489 -3.487 -13.616 1.00 34.41 C ATOM 0 HA ILE D 306 4.050 -5.036 -10.023 1.00 34.33 H new ATOM 0 HB ILE D 306 2.142 -3.817 -10.951 1.00 1.43 H new ATOM 0 HG12 ILE D 306 2.919 -5.064 -13.604 1.00 34.54 H new ATOM 0 HG13 ILE D 306 1.461 -5.405 -12.694 1.00 34.54 H new ATOM 0 HG21 ILE D 306 3.448 -2.291 -12.407 1.00 51.24 H new ATOM 0 HG22 ILE D 306 4.379 -2.801 -10.978 1.00 51.24 H new ATOM 0 HG23 ILE D 306 4.707 -3.539 -12.564 1.00 51.24 H new ATOM 0 HD11 ILE D 306 1.009 -3.853 -14.523 1.00 34.41 H new ATOM 0 HD12 ILE D 306 0.735 -3.064 -12.952 1.00 34.41 H new ATOM 0 HD13 ILE D 306 2.216 -2.718 -13.876 1.00 34.41 H new ATOM 2933 N TYR D 307 1.371 -6.122 -10.193 1.00 11.10 N ATOM 2934 CA TYR D 307 0.341 -7.105 -9.991 1.00 73.34 C ATOM 2935 C TYR D 307 -0.101 -7.560 -11.369 1.00 11.43 C ATOM 2936 O TYR D 307 -0.036 -6.772 -12.308 1.00 41.24 O ATOM 2937 CB TYR D 307 -0.812 -6.493 -9.240 1.00 54.12 C ATOM 2938 CG TYR D 307 -0.388 -5.776 -8.011 1.00 71.34 C ATOM 2939 CD1 TYR D 307 -0.054 -6.472 -6.886 1.00 52.23 C ATOM 2940 CD2 TYR D 307 -0.342 -4.393 -7.975 1.00 71.32 C ATOM 2941 CE1 TYR D 307 0.309 -5.837 -5.751 1.00 5.23 C ATOM 2942 CE2 TYR D 307 0.026 -3.735 -6.844 1.00 74.41 C ATOM 2943 CZ TYR D 307 0.350 -4.459 -5.722 1.00 13.12 C ATOM 2944 OH TYR D 307 0.708 -3.806 -4.569 1.00 42.22 O ATOM 0 H TYR D 307 1.095 -5.158 -10.006 1.00 11.10 H new ATOM 0 HA TYR D 307 0.705 -7.948 -9.404 1.00 73.34 H new ATOM 0 HB2 TYR D 307 -1.338 -5.799 -9.896 1.00 54.12 H new ATOM 0 HB3 TYR D 307 -1.520 -7.277 -8.971 1.00 54.12 H new ATOM 0 HD1 TYR D 307 -0.080 -7.552 -6.904 1.00 52.23 H new ATOM 0 HD2 TYR D 307 -0.602 -3.829 -8.858 1.00 71.32 H new ATOM 0 HE1 TYR D 307 0.566 -6.406 -4.870 1.00 5.23 H new ATOM 0 HE2 TYR D 307 0.063 -2.656 -6.827 1.00 74.41 H new ATOM 0 HH TYR D 307 1.684 -3.734 -4.523 1.00 42.22 H new ATOM 2954 N THR D 308 -0.530 -8.799 -11.502 1.00 11.04 N ATOM 2955 CA THR D 308 -0.870 -9.344 -12.810 1.00 1.32 C ATOM 2956 C THR D 308 -1.918 -8.486 -13.560 1.00 43.01 C ATOM 2957 O THR D 308 -1.808 -8.279 -14.776 1.00 4.22 O ATOM 2958 CB THR D 308 -1.290 -10.816 -12.691 1.00 14.24 C ATOM 2959 OG1 THR D 308 -0.207 -11.535 -12.069 1.00 54.01 O ATOM 2960 CG2 THR D 308 -1.566 -11.429 -14.060 1.00 50.10 C ATOM 0 H THR D 308 -0.653 -9.449 -10.726 1.00 11.04 H new ATOM 0 HA THR D 308 0.029 -9.306 -13.425 1.00 1.32 H new ATOM 0 HB THR D 308 -2.205 -10.879 -12.102 1.00 14.24 H new ATOM 0 HG1 THR D 308 -0.082 -12.395 -12.523 1.00 54.01 H new ATOM 0 HG21 THR D 308 -1.861 -12.471 -13.939 1.00 50.10 H new ATOM 0 HG22 THR D 308 -2.370 -10.879 -14.550 1.00 50.10 H new ATOM 0 HG23 THR D 308 -0.665 -11.375 -14.671 1.00 50.10 H new ATOM 2968 N SER D 309 -2.888 -7.966 -12.840 1.00 40.44 N ATOM 2969 CA SER D 309 -3.862 -7.061 -13.410 1.00 12.52 C ATOM 2970 C SER D 309 -4.434 -6.174 -12.319 1.00 60.02 C ATOM 2971 O SER D 309 -5.271 -6.618 -11.550 1.00 52.33 O ATOM 2972 CB SER D 309 -4.994 -7.826 -14.126 1.00 62.13 C ATOM 2973 OG SER D 309 -4.487 -8.639 -15.192 1.00 61.33 O ATOM 0 H SER D 309 -3.024 -8.157 -11.847 1.00 40.44 H new ATOM 0 HA SER D 309 -3.360 -6.444 -14.155 1.00 12.52 H new ATOM 0 HB2 SER D 309 -5.521 -8.454 -13.408 1.00 62.13 H new ATOM 0 HB3 SER D 309 -5.720 -7.116 -14.522 1.00 62.13 H new ATOM 0 HG SER D 309 -3.520 -8.504 -15.275 1.00 61.33 H new ATOM 2979 N ASP D 310 -3.938 -4.949 -12.223 1.00 54.00 N ATOM 2980 CA ASP D 310 -4.451 -4.000 -11.237 1.00 34.14 C ATOM 2981 C ASP D 310 -5.750 -3.454 -11.773 1.00 44.33 C ATOM 2982 O ASP D 310 -6.809 -3.593 -11.147 1.00 12.40 O ATOM 2983 CB ASP D 310 -3.460 -2.819 -11.001 1.00 21.11 C ATOM 2984 CG ASP D 310 -3.831 -1.909 -9.791 1.00 5.32 C ATOM 2985 OD1 ASP D 310 -5.015 -1.498 -9.652 1.00 32.52 O ATOM 2986 OD2 ASP D 310 -2.925 -1.581 -8.989 1.00 54.33 O ATOM 0 H ASP D 310 -3.186 -4.587 -12.810 1.00 54.00 H new ATOM 0 HA ASP D 310 -4.586 -4.510 -10.283 1.00 34.14 H new ATOM 0 HB2 ASP D 310 -2.460 -3.224 -10.844 1.00 21.11 H new ATOM 0 HB3 ASP D 310 -3.419 -2.208 -11.902 1.00 21.11 H new ATOM 2991 N ASN D 311 -5.660 -2.875 -12.985 1.00 62.22 N ATOM 2992 CA ASN D 311 -6.788 -2.231 -13.658 1.00 31.24 C ATOM 2993 C ASN D 311 -7.392 -1.249 -12.691 1.00 1.34 C ATOM 2994 O ASN D 311 -8.489 -1.447 -12.127 1.00 34.31 O ATOM 2995 CB ASN D 311 -7.804 -3.261 -14.205 1.00 34.52 C ATOM 2996 CG ASN D 311 -8.932 -2.650 -15.026 1.00 62.52 C ATOM 2997 OD1 ASN D 311 -9.999 -2.333 -14.508 1.00 12.10 O ATOM 2998 ND2 ASN D 311 -8.706 -2.485 -16.305 1.00 64.14 N ATOM 0 H ASN D 311 -4.794 -2.844 -13.523 1.00 62.22 H new ATOM 0 HA ASN D 311 -6.448 -1.695 -14.544 1.00 31.24 H new ATOM 0 HB2 ASN D 311 -7.273 -3.986 -14.821 1.00 34.52 H new ATOM 0 HB3 ASN D 311 -8.235 -3.809 -13.367 1.00 34.52 H new ATOM 0 HD21 ASN D 311 -9.428 -2.082 -16.903 1.00 64.14 H new ATOM 0 HD22 ASN D 311 -7.808 -2.759 -16.704 1.00 64.14 H new ATOM 3124 N TYR D 321 0.460 18.212 -1.526 1.00 53.41 N ATOM 3125 CA TYR D 321 0.224 18.441 -0.127 1.00 22.42 C ATOM 3126 C TYR D 321 1.293 19.404 0.459 1.00 70.43 C ATOM 3127 O TYR D 321 1.017 20.577 0.706 1.00 33.04 O ATOM 3128 CB TYR D 321 0.305 17.100 0.572 1.00 23.04 C ATOM 3129 CG TYR D 321 -0.320 17.008 1.917 1.00 63.32 C ATOM 3130 CD1 TYR D 321 0.305 17.494 3.028 1.00 64.54 C ATOM 3131 CD2 TYR D 321 -1.536 16.379 2.061 1.00 45.35 C ATOM 3132 CE1 TYR D 321 -0.265 17.357 4.282 1.00 62.22 C ATOM 3133 CE2 TYR D 321 -2.130 16.237 3.294 1.00 71.42 C ATOM 3134 CZ TYR D 321 -1.491 16.724 4.407 1.00 62.33 C ATOM 3135 OH TYR D 321 -2.065 16.564 5.649 1.00 5.15 O ATOM 0 HA TYR D 321 -0.754 18.900 0.018 1.00 22.42 H new ATOM 0 HB2 TYR D 321 -0.160 16.353 -0.071 1.00 23.04 H new ATOM 0 HB3 TYR D 321 1.356 16.829 0.666 1.00 23.04 H new ATOM 0 HD1 TYR D 321 1.258 17.993 2.928 1.00 64.54 H new ATOM 0 HD2 TYR D 321 -2.035 15.988 1.187 1.00 45.35 H new ATOM 0 HE1 TYR D 321 0.242 17.740 5.155 1.00 62.22 H new ATOM 0 HE2 TYR D 321 -3.088 15.748 3.385 1.00 71.42 H new ATOM 0 HH TYR D 321 -2.924 16.101 5.555 1.00 5.15 H new ATOM 3145 N ASP D 322 2.520 18.894 0.647 1.00 11.53 N ATOM 3146 CA ASP D 322 3.629 19.658 1.265 1.00 53.25 C ATOM 3147 C ASP D 322 4.962 19.224 0.569 1.00 40.20 C ATOM 3148 O ASP D 322 4.919 18.765 -0.572 1.00 13.43 O ATOM 3149 CB ASP D 322 3.636 19.360 2.805 1.00 2.32 C ATOM 3150 CG ASP D 322 4.595 20.223 3.636 1.00 73.00 C ATOM 3151 OD1 ASP D 322 4.179 21.310 4.110 1.00 54.51 O ATOM 3152 OD2 ASP D 322 5.753 19.818 3.842 1.00 3.25 O ATOM 0 H ASP D 322 2.777 17.944 0.378 1.00 11.53 H new ATOM 0 HA ASP D 322 3.511 20.734 1.134 1.00 53.25 H new ATOM 0 HB2 ASP D 322 2.625 19.497 3.189 1.00 2.32 H new ATOM 0 HB3 ASP D 322 3.895 18.312 2.954 1.00 2.32 H new ATOM 3157 N SER D 323 6.110 19.369 1.228 1.00 2.10 N ATOM 3158 CA SER D 323 7.433 19.070 0.649 1.00 24.12 C ATOM 3159 C SER D 323 7.586 17.603 0.221 1.00 72.23 C ATOM 3160 O SER D 323 6.880 16.728 0.713 1.00 2.10 O ATOM 3161 CB SER D 323 8.519 19.442 1.642 1.00 24.35 C ATOM 3162 OG SER D 323 8.446 20.820 1.961 1.00 53.51 O ATOM 0 H SER D 323 6.156 19.701 2.191 1.00 2.10 H new ATOM 0 HA SER D 323 7.530 19.668 -0.257 1.00 24.12 H new ATOM 0 HB2 SER D 323 8.411 18.846 2.548 1.00 24.35 H new ATOM 0 HB3 SER D 323 9.498 19.211 1.223 1.00 24.35 H new ATOM 0 HG SER D 323 9.151 21.045 2.603 1.00 53.51 H new ATOM 3168 N MET D 324 8.549 17.350 -0.649 1.00 55.23 N ATOM 3169 CA MET D 324 8.763 16.037 -1.241 1.00 74.54 C ATOM 3170 C MET D 324 10.195 15.653 -0.999 1.00 60.21 C ATOM 3171 O MET D 324 10.996 16.522 -0.621 1.00 42.04 O ATOM 3172 CB MET D 324 8.463 16.083 -2.752 1.00 44.22 C ATOM 3173 CG MET D 324 9.355 17.029 -3.543 1.00 11.50 C ATOM 3174 SD MET D 324 8.964 17.069 -5.302 1.00 42.05 S ATOM 3175 CE MET D 324 10.199 18.232 -5.884 1.00 1.41 C ATOM 0 H MET D 324 9.212 18.056 -0.969 1.00 55.23 H new ATOM 0 HA MET D 324 8.097 15.301 -0.791 1.00 74.54 H new ATOM 0 HB2 MET D 324 8.567 15.078 -3.161 1.00 44.22 H new ATOM 0 HB3 MET D 324 7.424 16.379 -2.895 1.00 44.22 H new ATOM 0 HG2 MET D 324 9.261 18.035 -3.133 1.00 11.50 H new ATOM 0 HG3 MET D 324 10.395 16.729 -3.415 1.00 11.50 H new ATOM 0 HE1 MET D 324 10.092 18.368 -6.960 1.00 1.41 H new ATOM 0 HE2 MET D 324 10.062 19.190 -5.382 1.00 1.41 H new ATOM 0 HE3 MET D 324 11.194 17.846 -5.664 1.00 1.41 H new ATOM 3185 N LYS D 325 10.552 14.401 -1.203 1.00 51.44 N ATOM 3186 CA LYS D 325 11.887 14.006 -0.909 1.00 54.11 C ATOM 3187 C LYS D 325 12.255 12.719 -1.669 1.00 70.12 C ATOM 3188 O LYS D 325 11.444 12.181 -2.417 1.00 30.34 O ATOM 3189 CB LYS D 325 12.007 13.784 0.600 1.00 14.34 C ATOM 3190 CG LYS D 325 13.319 14.239 1.149 1.00 13.50 C ATOM 3191 CD LYS D 325 13.451 13.939 2.633 1.00 74.25 C ATOM 3192 CE LYS D 325 14.792 14.411 3.166 1.00 32.30 C ATOM 3193 NZ LYS D 325 14.966 14.109 4.599 1.00 64.43 N ATOM 0 H LYS D 325 9.943 13.666 -1.563 1.00 51.44 H new ATOM 0 HA LYS D 325 12.577 14.788 -1.227 1.00 54.11 H new ATOM 0 HB2 LYS D 325 11.202 14.317 1.106 1.00 14.34 H new ATOM 0 HB3 LYS D 325 11.875 12.724 0.818 1.00 14.34 H new ATOM 0 HG2 LYS D 325 14.128 13.749 0.607 1.00 13.50 H new ATOM 0 HG3 LYS D 325 13.428 15.311 0.985 1.00 13.50 H new ATOM 0 HD2 LYS D 325 12.645 14.429 3.180 1.00 74.25 H new ATOM 0 HD3 LYS D 325 13.345 12.867 2.802 1.00 74.25 H new ATOM 0 HE2 LYS D 325 15.593 13.937 2.598 1.00 32.30 H new ATOM 0 HE3 LYS D 325 14.884 15.486 3.010 1.00 32.30 H new ATOM 0 HZ1 LYS D 325 15.896 14.451 4.915 1.00 64.43 H new ATOM 0 HZ2 LYS D 325 14.219 14.582 5.147 1.00 64.43 H new ATOM 0 HZ3 LYS D 325 14.906 13.081 4.747 1.00 64.43 H new ATOM 3207 N GLU D 326 13.464 12.246 -1.434 1.00 51.50 N ATOM 3208 CA GLU D 326 14.028 11.079 -2.001 1.00 35.04 C ATOM 3209 C GLU D 326 14.596 10.341 -0.797 1.00 20.25 C ATOM 3210 O GLU D 326 15.085 10.998 0.147 1.00 11.32 O ATOM 3211 CB GLU D 326 15.209 11.444 -2.944 1.00 54.15 C ATOM 3212 CG GLU D 326 14.894 12.378 -4.114 1.00 45.13 C ATOM 3213 CD GLU D 326 13.940 11.798 -5.132 1.00 51.33 C ATOM 3214 OE1 GLU D 326 14.375 11.004 -5.999 1.00 54.24 O ATOM 3215 OE2 GLU D 326 12.762 12.144 -5.115 1.00 32.44 O ATOM 0 H GLU D 326 14.106 12.714 -0.795 1.00 51.50 H new ATOM 0 HA GLU D 326 13.301 10.510 -2.580 1.00 35.04 H new ATOM 0 HB2 GLU D 326 15.993 11.904 -2.343 1.00 54.15 H new ATOM 0 HB3 GLU D 326 15.619 10.519 -3.349 1.00 54.15 H new ATOM 0 HG2 GLU D 326 14.471 13.303 -3.722 1.00 45.13 H new ATOM 0 HG3 GLU D 326 15.826 12.641 -4.615 1.00 45.13 H new ATOM 3222 N PRO D 327 14.531 9.031 -0.770 1.00 51.23 N ATOM 3223 CA PRO D 327 15.023 8.228 0.342 1.00 45.44 C ATOM 3224 C PRO D 327 16.520 8.360 0.539 1.00 31.41 C ATOM 3225 O PRO D 327 17.301 8.385 -0.422 1.00 32.43 O ATOM 3226 CB PRO D 327 14.686 6.809 -0.077 1.00 72.25 C ATOM 3227 CG PRO D 327 14.619 6.898 -1.537 1.00 13.53 C ATOM 3228 CD PRO D 327 13.950 8.206 -1.797 1.00 45.20 C ATOM 0 HA PRO D 327 14.578 8.537 1.288 1.00 45.44 H new ATOM 0 HB2 PRO D 327 15.448 6.101 0.249 1.00 72.25 H new ATOM 0 HB3 PRO D 327 13.740 6.477 0.350 1.00 72.25 H new ATOM 0 HG2 PRO D 327 15.613 6.864 -1.983 1.00 13.53 H new ATOM 0 HG3 PRO D 327 14.051 6.070 -1.960 1.00 13.53 H new ATOM 0 HD2 PRO D 327 14.162 8.584 -2.797 1.00 45.20 H new ATOM 0 HD3 PRO D 327 12.866 8.138 -1.705 1.00 45.20 H new