USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HE2:sc= -0.191 F(o=-0.89,f=-0.19) USER MOD Single : A 22 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.72) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.995 X(o=-1,f=-0.95) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.214 F(o=-3.1!,f=-0.21) USER MOD Single : A 31 THR OG1 : rot -159:sc= 0.353 USER MOD Single : A 33 ASN : amide:sc= 0.465 K(o=0.46,f=-6!) USER MOD Single : A 37 GLN : amide:sc= -2.26 K(o=-2.3,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0.851 (180deg=0.488) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.88) 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= -1.32! X(o=-1.3!,f=-1.3) USER MOD Single : A 61 TYR OH : rot 77:sc= -2.13! USER MOD Single : A 64 LYS NZ :NH3+ 167:sc=-0.00742 (180deg=-0.199) USER MOD Single : A 67 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : B 123 SER OG : rot 44:sc= 1.28 USER MOD Single : B 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 125 LYS NZ :NH3+ 168:sc= 0.606 (180deg=0.17) USER MOD Single : C 216 SER OG : rot 180:sc=-0.00447 USER MOD Single : C 217 HIS : no HE2:sc= -0.551 K(o=-0.55,f=-1.7) USER MOD Single : C 222 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.46) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -1.96! F(o=-2.5,f=-2!) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 230 ASN : amide:sc= -0.0889 X(o=-0.089,f=0) USER MOD Single : C 231 THR OG1 : rot -120:sc= -0.72 USER MOD Single : C 233 ASN : amide:sc= 0.249 K(o=0.25,f=-4.7!) USER MOD Single : C 237 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.8!) USER MOD Single : C 243 LYS NZ :NH3+ -142:sc= 0.209 (180deg=-0.4) USER MOD Single : C 248 GLN : amide:sc= 0.0908 K(o=0.091,f=-2.9) USER MOD Single : C 254 LYS NZ :NH3+ 162:sc= -1.41! (180deg=-2.92!) USER MOD Single : C 256 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 259 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.8!) USER MOD Single : C 261 TYR OH : rot 180:sc= -0.259 USER MOD Single : C 264 LYS NZ :NH3+ 174:sc= 0.225 (180deg=0.202) USER MOD Single : C 267 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : D 323 SER OG : rot 39:sc= 1.3 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 115 N ARG A 8 2.650 9.447 -15.197 1.00 34.41 N ATOM 116 CA ARG A 8 1.301 8.967 -15.319 1.00 43.43 C ATOM 117 C ARG A 8 0.775 8.636 -13.960 1.00 1.10 C ATOM 118 O ARG A 8 1.542 8.495 -13.010 1.00 3.14 O ATOM 119 CB ARG A 8 1.201 7.696 -16.178 1.00 40.34 C ATOM 120 CG ARG A 8 1.546 7.832 -17.649 1.00 43.11 C ATOM 121 CD ARG A 8 1.315 6.495 -18.347 1.00 42.33 C ATOM 122 NE ARG A 8 1.573 6.527 -19.791 1.00 15.31 N ATOM 123 CZ ARG A 8 1.535 5.439 -20.589 1.00 41.54 C ATOM 124 NH1 ARG A 8 1.194 4.248 -20.086 1.00 61.45 N ATOM 125 NH2 ARG A 8 1.805 5.555 -21.885 1.00 63.35 N ATOM 0 HA ARG A 8 0.724 9.757 -15.801 1.00 43.43 H new ATOM 0 HB2 ARG A 8 1.857 6.941 -15.744 1.00 40.34 H new ATOM 0 HB3 ARG A 8 0.183 7.315 -16.102 1.00 40.34 H new ATOM 0 HG2 ARG A 8 0.931 8.606 -18.108 1.00 43.11 H new ATOM 0 HG3 ARG A 8 2.585 8.140 -17.764 1.00 43.11 H new ATOM 0 HD2 ARG A 8 1.956 5.742 -17.890 1.00 42.33 H new ATOM 0 HD3 ARG A 8 0.285 6.181 -18.179 1.00 42.33 H new ATOM 0 HE ARG A 8 1.795 7.426 -20.218 1.00 15.31 H new ATOM 0 HH11 ARG A 8 0.962 4.160 -19.097 1.00 61.45 H new ATOM 0 HH12 ARG A 8 1.166 3.428 -20.692 1.00 61.45 H new ATOM 0 HH21 ARG A 8 2.041 6.467 -22.277 1.00 63.35 H new ATOM 0 HH22 ARG A 8 1.776 4.733 -22.488 1.00 63.35 H new ATOM 139 N CYS A 9 -0.497 8.544 -13.855 1.00 54.53 N ATOM 140 CA CYS A 9 -1.106 8.058 -12.667 1.00 65.14 C ATOM 141 C CYS A 9 -1.964 6.906 -13.132 1.00 23.33 C ATOM 142 O CYS A 9 -2.635 7.039 -14.156 1.00 2.44 O ATOM 143 CB CYS A 9 -1.952 9.155 -11.984 1.00 43.13 C ATOM 144 SG CYS A 9 -2.547 8.745 -10.319 1.00 52.41 S ATOM 0 H CYS A 9 -1.152 8.804 -14.592 1.00 54.53 H new ATOM 0 HA CYS A 9 -0.374 7.750 -11.920 1.00 65.14 H new ATOM 0 HB2 CYS A 9 -1.358 10.067 -11.926 1.00 43.13 H new ATOM 0 HB3 CYS A 9 -2.812 9.375 -12.616 1.00 43.13 H new ATOM 149 N PRO A 10 -1.915 5.746 -12.458 1.00 63.53 N ATOM 150 CA PRO A 10 -2.681 4.578 -12.881 1.00 74.22 C ATOM 151 C PRO A 10 -4.174 4.874 -12.942 1.00 11.51 C ATOM 152 O PRO A 10 -4.831 4.640 -13.955 1.00 13.40 O ATOM 153 CB PRO A 10 -2.378 3.522 -11.796 1.00 33.33 C ATOM 154 CG PRO A 10 -1.778 4.281 -10.659 1.00 62.30 C ATOM 155 CD PRO A 10 -1.104 5.470 -11.265 1.00 5.33 C ATOM 0 HA PRO A 10 -2.408 4.251 -13.884 1.00 74.22 H new ATOM 0 HB2 PRO A 10 -3.286 3.005 -11.487 1.00 33.33 H new ATOM 0 HB3 PRO A 10 -1.690 2.763 -12.168 1.00 33.33 H new ATOM 0 HG2 PRO A 10 -2.545 4.588 -9.948 1.00 62.30 H new ATOM 0 HG3 PRO A 10 -1.064 3.665 -10.112 1.00 62.30 H new ATOM 0 HD2 PRO A 10 -1.093 6.318 -10.581 1.00 5.33 H new ATOM 0 HD3 PRO A 10 -0.067 5.256 -11.524 1.00 5.33 H new ATOM 163 N CYS A 11 -4.680 5.370 -11.863 1.00 54.03 N ATOM 164 CA CYS A 11 -6.060 5.704 -11.740 1.00 55.12 C ATOM 165 C CYS A 11 -6.241 7.202 -11.925 1.00 74.32 C ATOM 166 O CYS A 11 -5.307 7.973 -11.703 1.00 43.44 O ATOM 167 CB CYS A 11 -6.512 5.259 -10.381 1.00 63.22 C ATOM 168 SG CYS A 11 -6.037 3.531 -10.053 1.00 61.23 S ATOM 0 H CYS A 11 -4.133 5.559 -11.023 1.00 54.03 H new ATOM 0 HA CYS A 11 -6.659 5.207 -12.503 1.00 55.12 H new ATOM 0 HB2 CYS A 11 -6.077 5.908 -9.621 1.00 63.22 H new ATOM 0 HB3 CYS A 11 -7.595 5.361 -10.305 1.00 63.22 H new ATOM 173 N ARG A 12 -7.412 7.624 -12.328 1.00 12.43 N ATOM 174 CA ARG A 12 -7.663 9.039 -12.482 1.00 44.43 C ATOM 175 C ARG A 12 -8.513 9.541 -11.347 1.00 53.22 C ATOM 176 O ARG A 12 -8.256 10.607 -10.789 1.00 22.34 O ATOM 177 CB ARG A 12 -8.362 9.353 -13.809 1.00 13.44 C ATOM 178 CG ARG A 12 -8.686 10.845 -14.030 1.00 22.02 C ATOM 179 CD ARG A 12 -7.441 11.734 -14.209 1.00 75.41 C ATOM 180 NE ARG A 12 -6.515 11.738 -13.049 1.00 74.35 N ATOM 181 CZ ARG A 12 -5.260 12.240 -13.081 1.00 64.13 C ATOM 182 NH1 ARG A 12 -4.828 12.891 -14.155 1.00 4.23 N ATOM 183 NH2 ARG A 12 -4.456 12.114 -12.031 1.00 43.42 N ATOM 0 H ARG A 12 -8.201 7.018 -12.554 1.00 12.43 H new ATOM 0 HA ARG A 12 -6.696 9.542 -12.476 1.00 44.43 H new ATOM 0 HB2 ARG A 12 -7.730 9.007 -14.627 1.00 13.44 H new ATOM 0 HB3 ARG A 12 -9.289 8.783 -13.859 1.00 13.44 H new ATOM 0 HG2 ARG A 12 -9.320 10.942 -14.911 1.00 22.02 H new ATOM 0 HG3 ARG A 12 -9.263 11.211 -13.181 1.00 22.02 H new ATOM 0 HD2 ARG A 12 -6.896 11.400 -15.092 1.00 75.41 H new ATOM 0 HD3 ARG A 12 -7.765 12.757 -14.402 1.00 75.41 H new ATOM 0 HE ARG A 12 -6.847 11.336 -12.172 1.00 74.35 H new ATOM 0 HH11 ARG A 12 -5.444 13.014 -14.959 1.00 4.23 H new ATOM 0 HH12 ARG A 12 -3.881 13.268 -14.176 1.00 4.23 H new ATOM 0 HH21 ARG A 12 -4.784 11.635 -11.192 1.00 43.42 H new ATOM 0 HH22 ARG A 12 -3.511 12.496 -12.064 1.00 43.42 H new ATOM 197 N PHE A 13 -9.508 8.773 -11.019 1.00 22.12 N ATOM 198 CA PHE A 13 -10.458 9.131 -10.009 1.00 13.42 C ATOM 199 C PHE A 13 -10.291 8.210 -8.825 1.00 31.32 C ATOM 200 O PHE A 13 -9.702 7.127 -8.953 1.00 44.15 O ATOM 201 CB PHE A 13 -11.879 9.050 -10.574 1.00 52.33 C ATOM 202 CG PHE A 13 -12.070 9.871 -11.820 1.00 30.35 C ATOM 203 CD1 PHE A 13 -12.117 11.255 -11.757 1.00 22.13 C ATOM 204 CD2 PHE A 13 -12.192 9.255 -13.057 1.00 62.35 C ATOM 205 CE1 PHE A 13 -12.280 12.008 -12.905 1.00 0.01 C ATOM 206 CE2 PHE A 13 -12.355 10.001 -14.204 1.00 2.32 C ATOM 207 CZ PHE A 13 -12.398 11.379 -14.130 1.00 61.21 C ATOM 0 H PHE A 13 -9.685 7.867 -11.452 1.00 22.12 H new ATOM 0 HA PHE A 13 -10.285 10.157 -9.683 1.00 13.42 H new ATOM 0 HB2 PHE A 13 -12.117 8.009 -10.793 1.00 52.33 H new ATOM 0 HB3 PHE A 13 -12.585 9.386 -9.814 1.00 52.33 H new ATOM 0 HD1 PHE A 13 -12.025 11.750 -10.802 1.00 22.13 H new ATOM 0 HD2 PHE A 13 -12.159 8.177 -13.122 1.00 62.35 H new ATOM 0 HE1 PHE A 13 -12.315 13.086 -12.845 1.00 0.01 H new ATOM 0 HE2 PHE A 13 -12.449 9.508 -15.160 1.00 2.32 H new ATOM 0 HZ PHE A 13 -12.524 11.965 -15.029 1.00 61.21 H new ATOM 217 N PHE A 14 -10.791 8.616 -7.704 1.00 63.54 N ATOM 218 CA PHE A 14 -10.635 7.865 -6.489 1.00 52.30 C ATOM 219 C PHE A 14 -11.977 7.504 -5.855 1.00 11.11 C ATOM 220 O PHE A 14 -12.891 8.308 -5.828 1.00 34.22 O ATOM 221 CB PHE A 14 -9.743 8.645 -5.501 1.00 2.41 C ATOM 222 CG PHE A 14 -10.182 10.081 -5.247 1.00 30.33 C ATOM 223 CD1 PHE A 14 -11.161 10.381 -4.310 1.00 34.34 C ATOM 224 CD2 PHE A 14 -9.603 11.124 -5.953 1.00 65.22 C ATOM 225 CE1 PHE A 14 -11.552 11.686 -4.088 1.00 5.43 C ATOM 226 CE2 PHE A 14 -9.991 12.431 -5.732 1.00 23.34 C ATOM 227 CZ PHE A 14 -10.966 12.711 -4.796 1.00 23.05 C ATOM 0 H PHE A 14 -11.322 9.480 -7.599 1.00 63.54 H new ATOM 0 HA PHE A 14 -10.148 6.922 -6.739 1.00 52.30 H new ATOM 0 HB2 PHE A 14 -9.724 8.112 -4.551 1.00 2.41 H new ATOM 0 HB3 PHE A 14 -8.722 8.653 -5.883 1.00 2.41 H new ATOM 0 HD1 PHE A 14 -11.623 9.583 -3.747 1.00 34.34 H new ATOM 0 HD2 PHE A 14 -8.838 10.912 -6.686 1.00 65.22 H new ATOM 0 HE1 PHE A 14 -12.318 11.903 -3.358 1.00 5.43 H new ATOM 0 HE2 PHE A 14 -9.532 13.233 -6.291 1.00 23.34 H new ATOM 0 HZ PHE A 14 -11.269 13.733 -4.619 1.00 23.05 H new ATOM 237 N GLU A 15 -12.072 6.287 -5.383 1.00 51.12 N ATOM 238 CA GLU A 15 -13.205 5.794 -4.654 1.00 43.25 C ATOM 239 C GLU A 15 -13.100 6.258 -3.237 1.00 63.15 C ATOM 240 O GLU A 15 -11.990 6.510 -2.736 1.00 0.24 O ATOM 241 CB GLU A 15 -13.256 4.249 -4.686 1.00 64.42 C ATOM 242 CG GLU A 15 -13.890 3.619 -5.924 1.00 75.03 C ATOM 243 CD GLU A 15 -13.253 3.980 -7.263 1.00 42.42 C ATOM 244 OE1 GLU A 15 -13.584 5.039 -7.826 1.00 72.42 O ATOM 245 OE2 GLU A 15 -12.445 3.171 -7.789 1.00 33.45 O ATOM 0 H GLU A 15 -11.336 5.591 -5.502 1.00 51.12 H new ATOM 0 HA GLU A 15 -14.116 6.174 -5.116 1.00 43.25 H new ATOM 0 HB2 GLU A 15 -12.238 3.871 -4.593 1.00 64.42 H new ATOM 0 HB3 GLU A 15 -13.805 3.906 -3.809 1.00 64.42 H new ATOM 0 HG2 GLU A 15 -13.860 2.535 -5.811 1.00 75.03 H new ATOM 0 HG3 GLU A 15 -14.941 3.907 -5.955 1.00 75.03 H new ATOM 252 N SER A 16 -14.209 6.396 -2.574 1.00 13.12 N ATOM 253 CA SER A 16 -14.157 6.825 -1.219 1.00 72.53 C ATOM 254 C SER A 16 -15.065 5.966 -0.324 1.00 0.22 C ATOM 255 O SER A 16 -14.581 5.202 0.500 1.00 14.13 O ATOM 256 CB SER A 16 -14.479 8.305 -1.107 1.00 41.41 C ATOM 257 OG SER A 16 -13.727 9.065 -2.042 1.00 44.53 O ATOM 0 H SER A 16 -15.143 6.220 -2.945 1.00 13.12 H new ATOM 0 HA SER A 16 -13.138 6.686 -0.859 1.00 72.53 H new ATOM 0 HB2 SER A 16 -15.544 8.462 -1.279 1.00 41.41 H new ATOM 0 HB3 SER A 16 -14.264 8.651 -0.096 1.00 41.41 H new ATOM 0 HG SER A 16 -13.954 10.014 -1.950 1.00 44.53 H new ATOM 263 N HIS A 17 -16.367 6.036 -0.510 1.00 72.22 N ATOM 264 CA HIS A 17 -17.254 5.268 0.347 1.00 25.41 C ATOM 265 C HIS A 17 -17.416 3.853 -0.146 1.00 74.53 C ATOM 266 O HIS A 17 -18.404 3.486 -0.777 1.00 0.11 O ATOM 267 CB HIS A 17 -18.594 5.951 0.637 1.00 43.02 C ATOM 268 CG HIS A 17 -18.456 7.240 1.397 1.00 42.23 C ATOM 269 ND1 HIS A 17 -17.504 7.657 2.272 1.00 41.52 N flip ATOM 270 CD2 HIS A 17 -19.365 8.257 1.329 1.00 53.42 C flip ATOM 271 CE1 HIS A 17 -17.865 8.899 2.701 1.00 30.21 C flip ATOM 272 NE2 HIS A 17 -18.990 9.236 2.115 1.00 31.22 N flip ATOM 0 H HIS A 17 -16.827 6.599 -1.225 1.00 72.22 H new ATOM 0 HA HIS A 17 -16.758 5.221 1.317 1.00 25.41 H new ATOM 0 HB2 HIS A 17 -19.105 6.147 -0.306 1.00 43.02 H new ATOM 0 HB3 HIS A 17 -19.225 5.268 1.206 1.00 43.02 H new ATOM 0 HD1 HIS A 17 -16.673 7.137 2.555 1.00 41.52 H new ATOM 0 HD2 HIS A 17 -20.257 8.255 0.720 1.00 53.42 H new ATOM 0 HE1 HIS A 17 -17.316 9.506 3.406 1.00 30.21 H new ATOM 281 N VAL A 18 -16.383 3.110 0.091 1.00 44.14 N ATOM 282 CA VAL A 18 -16.253 1.732 -0.246 1.00 41.22 C ATOM 283 C VAL A 18 -15.868 1.014 1.053 1.00 32.33 C ATOM 284 O VAL A 18 -15.427 1.673 2.000 1.00 55.52 O ATOM 285 CB VAL A 18 -15.164 1.551 -1.387 1.00 1.43 C ATOM 286 CG1 VAL A 18 -13.817 2.109 -0.990 1.00 4.33 C ATOM 287 CG2 VAL A 18 -15.037 0.109 -1.860 1.00 53.52 C ATOM 0 H VAL A 18 -15.553 3.477 0.557 1.00 44.14 H new ATOM 0 HA VAL A 18 -17.176 1.312 -0.645 1.00 41.22 H new ATOM 0 HB VAL A 18 -15.528 2.135 -2.232 1.00 1.43 H new ATOM 0 HG11 VAL A 18 -13.107 1.961 -1.804 1.00 4.33 H new ATOM 0 HG12 VAL A 18 -13.912 3.175 -0.781 1.00 4.33 H new ATOM 0 HG13 VAL A 18 -13.459 1.595 -0.098 1.00 4.33 H new ATOM 0 HG21 VAL A 18 -14.278 0.047 -2.640 1.00 53.52 H new ATOM 0 HG22 VAL A 18 -14.748 -0.525 -1.022 1.00 53.52 H new ATOM 0 HG23 VAL A 18 -15.994 -0.229 -2.258 1.00 53.52 H new ATOM 297 N ALA A 19 -16.044 -0.272 1.124 1.00 51.42 N ATOM 298 CA ALA A 19 -15.806 -0.978 2.354 1.00 62.24 C ATOM 299 C ALA A 19 -14.491 -1.712 2.301 1.00 24.52 C ATOM 300 O ALA A 19 -14.187 -2.376 1.310 1.00 44.12 O ATOM 301 CB ALA A 19 -16.947 -1.953 2.619 1.00 62.24 C ATOM 0 H ALA A 19 -16.351 -0.856 0.346 1.00 51.42 H new ATOM 0 HA ALA A 19 -15.759 -0.255 3.169 1.00 62.24 H new ATOM 0 HB1 ALA A 19 -16.762 -2.485 3.552 1.00 62.24 H new ATOM 0 HB2 ALA A 19 -17.885 -1.403 2.695 1.00 62.24 H new ATOM 0 HB3 ALA A 19 -17.012 -2.669 1.800 1.00 62.24 H new ATOM 307 N ARG A 20 -13.701 -1.596 3.356 1.00 11.21 N ATOM 308 CA ARG A 20 -12.448 -2.322 3.425 1.00 2.24 C ATOM 309 C ARG A 20 -12.637 -3.813 3.585 1.00 75.30 C ATOM 310 O ARG A 20 -11.726 -4.580 3.369 1.00 14.24 O ATOM 311 CB ARG A 20 -11.407 -1.712 4.377 1.00 21.43 C ATOM 312 CG ARG A 20 -11.846 -1.393 5.794 1.00 54.31 C ATOM 313 CD ARG A 20 -12.125 -2.609 6.638 1.00 25.42 C ATOM 314 NE ARG A 20 -12.510 -2.196 7.996 1.00 65.20 N ATOM 315 CZ ARG A 20 -12.817 -3.010 9.021 1.00 53.42 C ATOM 316 NH1 ARG A 20 -12.832 -4.331 8.867 1.00 14.15 N ATOM 317 NH2 ARG A 20 -13.110 -2.480 10.201 1.00 74.23 N ATOM 0 H ARG A 20 -13.904 -1.012 4.167 1.00 11.21 H new ATOM 0 HA ARG A 20 -11.995 -2.193 2.442 1.00 2.24 H new ATOM 0 HB2 ARG A 20 -10.563 -2.399 4.434 1.00 21.43 H new ATOM 0 HB3 ARG A 20 -11.039 -0.791 3.925 1.00 21.43 H new ATOM 0 HG2 ARG A 20 -11.072 -0.798 6.278 1.00 54.31 H new ATOM 0 HG3 ARG A 20 -12.744 -0.777 5.755 1.00 54.31 H new ATOM 0 HD2 ARG A 20 -12.923 -3.200 6.188 1.00 25.42 H new ATOM 0 HD3 ARG A 20 -11.241 -3.245 6.679 1.00 25.42 H new ATOM 0 HE ARG A 20 -12.548 -1.193 8.178 1.00 65.20 H new ATOM 0 HH11 ARG A 20 -12.608 -4.741 7.960 1.00 14.15 H new ATOM 0 HH12 ARG A 20 -13.067 -4.934 9.656 1.00 14.15 H new ATOM 0 HH21 ARG A 20 -13.101 -1.467 10.322 1.00 74.23 H new ATOM 0 HH22 ARG A 20 -13.345 -3.085 10.988 1.00 74.23 H new ATOM 331 N ALA A 21 -13.834 -4.199 3.971 1.00 73.12 N ATOM 332 CA ALA A 21 -14.215 -5.594 4.050 1.00 63.23 C ATOM 333 C ALA A 21 -14.552 -6.107 2.645 1.00 11.41 C ATOM 334 O ALA A 21 -14.753 -7.304 2.435 1.00 70.35 O ATOM 335 CB ALA A 21 -15.405 -5.766 4.979 1.00 11.13 C ATOM 0 H ALA A 21 -14.574 -3.551 4.240 1.00 73.12 H new ATOM 0 HA ALA A 21 -13.384 -6.173 4.454 1.00 63.23 H new ATOM 0 HB1 ALA A 21 -15.679 -6.820 5.028 1.00 11.13 H new ATOM 0 HB2 ALA A 21 -15.142 -5.413 5.976 1.00 11.13 H new ATOM 0 HB3 ALA A 21 -16.249 -5.189 4.600 1.00 11.13 H new ATOM 341 N ASN A 22 -14.647 -5.179 1.699 1.00 53.15 N ATOM 342 CA ASN A 22 -14.978 -5.503 0.322 1.00 5.01 C ATOM 343 C ASN A 22 -13.721 -5.450 -0.566 1.00 41.14 C ATOM 344 O ASN A 22 -13.724 -5.937 -1.693 1.00 62.42 O ATOM 345 CB ASN A 22 -16.065 -4.549 -0.209 1.00 40.54 C ATOM 346 CG ASN A 22 -16.597 -4.938 -1.582 1.00 65.54 C ATOM 347 OD1 ASN A 22 -16.611 -6.103 -1.948 1.00 73.03 O ATOM 348 ND2 ASN A 22 -17.079 -3.983 -2.325 1.00 33.00 N ATOM 0 H ASN A 22 -14.497 -4.184 1.868 1.00 53.15 H new ATOM 0 HA ASN A 22 -15.371 -6.519 0.291 1.00 5.01 H new ATOM 0 HB2 ASN A 22 -16.893 -4.525 0.499 1.00 40.54 H new ATOM 0 HB3 ASN A 22 -15.658 -3.539 -0.259 1.00 40.54 H new ATOM 0 HD21 ASN A 22 -17.481 -4.200 -3.237 1.00 33.00 H new ATOM 0 HD22 ASN A 22 -17.055 -3.018 -1.995 1.00 33.00 H new ATOM 355 N VAL A 23 -12.652 -4.867 -0.066 1.00 61.21 N ATOM 356 CA VAL A 23 -11.403 -4.849 -0.829 1.00 1.20 C ATOM 357 C VAL A 23 -10.514 -5.993 -0.344 1.00 75.33 C ATOM 358 O VAL A 23 -10.478 -6.275 0.833 1.00 1.52 O ATOM 359 CB VAL A 23 -10.641 -3.484 -0.742 1.00 30.32 C ATOM 360 CG1 VAL A 23 -11.494 -2.340 -1.268 1.00 73.11 C ATOM 361 CG2 VAL A 23 -10.179 -3.186 0.665 1.00 20.25 C ATOM 0 H VAL A 23 -12.612 -4.407 0.843 1.00 61.21 H new ATOM 0 HA VAL A 23 -11.656 -4.979 -1.881 1.00 1.20 H new ATOM 0 HB VAL A 23 -9.757 -3.577 -1.373 1.00 30.32 H new ATOM 0 HG11 VAL A 23 -10.936 -1.406 -1.194 1.00 73.11 H new ATOM 0 HG12 VAL A 23 -11.751 -2.527 -2.311 1.00 73.11 H new ATOM 0 HG13 VAL A 23 -12.407 -2.265 -0.677 1.00 73.11 H new ATOM 0 HG21 VAL A 23 -9.655 -2.230 0.681 1.00 20.25 H new ATOM 0 HG22 VAL A 23 -11.042 -3.138 1.329 1.00 20.25 H new ATOM 0 HG23 VAL A 23 -9.506 -3.975 1.002 1.00 20.25 H new ATOM 371 N LYS A 24 -9.833 -6.667 -1.251 1.00 24.01 N ATOM 372 CA LYS A 24 -9.019 -7.825 -0.873 1.00 21.12 C ATOM 373 C LYS A 24 -7.624 -7.441 -0.456 1.00 74.34 C ATOM 374 O LYS A 24 -6.924 -8.214 0.204 1.00 65.14 O ATOM 375 CB LYS A 24 -8.978 -8.850 -1.989 1.00 41.33 C ATOM 376 CG LYS A 24 -10.349 -9.305 -2.333 1.00 71.42 C ATOM 377 CD LYS A 24 -10.396 -10.440 -3.335 1.00 42.01 C ATOM 378 CE LYS A 24 -9.852 -10.084 -4.704 1.00 42.15 C ATOM 379 NZ LYS A 24 -10.120 -11.181 -5.675 1.00 24.41 N ATOM 0 H LYS A 24 -9.821 -6.443 -2.246 1.00 24.01 H new ATOM 0 HA LYS A 24 -9.501 -8.272 -0.004 1.00 21.12 H new ATOM 0 HB2 LYS A 24 -8.501 -8.418 -2.869 1.00 41.33 H new ATOM 0 HB3 LYS A 24 -8.372 -9.703 -1.684 1.00 41.33 H new ATOM 0 HG2 LYS A 24 -10.854 -9.621 -1.420 1.00 71.42 H new ATOM 0 HG3 LYS A 24 -10.910 -8.460 -2.732 1.00 71.42 H new ATOM 0 HD2 LYS A 24 -9.829 -11.283 -2.939 1.00 42.01 H new ATOM 0 HD3 LYS A 24 -11.429 -10.773 -3.442 1.00 42.01 H new ATOM 0 HE2 LYS A 24 -10.311 -9.160 -5.055 1.00 42.15 H new ATOM 0 HE3 LYS A 24 -8.779 -9.902 -4.639 1.00 42.15 H new ATOM 0 HZ1 LYS A 24 -9.740 -10.920 -6.607 1.00 24.41 H new ATOM 0 HZ2 LYS A 24 -9.661 -12.055 -5.347 1.00 24.41 H new ATOM 0 HZ3 LYS A 24 -11.146 -11.336 -5.750 1.00 24.41 H new ATOM 393 N HIS A 25 -7.205 -6.275 -0.878 1.00 54.04 N ATOM 394 CA HIS A 25 -5.907 -5.719 -0.482 1.00 33.25 C ATOM 395 C HIS A 25 -5.777 -4.316 -1.007 1.00 25.13 C ATOM 396 O HIS A 25 -6.614 -3.872 -1.779 1.00 20.13 O ATOM 397 CB HIS A 25 -4.696 -6.568 -0.979 1.00 42.21 C ATOM 398 CG HIS A 25 -4.373 -6.518 -2.471 1.00 4.43 C ATOM 399 ND1 HIS A 25 -4.297 -7.633 -3.270 1.00 55.00 N ATOM 400 CD2 HIS A 25 -3.988 -5.481 -3.264 1.00 45.41 C ATOM 401 CE1 HIS A 25 -3.876 -7.275 -4.467 1.00 12.14 C ATOM 402 NE2 HIS A 25 -3.690 -5.982 -4.483 1.00 2.10 N ATOM 0 H HIS A 25 -7.742 -5.675 -1.504 1.00 54.04 H new ATOM 0 HA HIS A 25 -5.881 -5.730 0.608 1.00 33.25 H new ATOM 0 HB2 HIS A 25 -3.810 -6.246 -0.431 1.00 42.21 H new ATOM 0 HB3 HIS A 25 -4.879 -7.608 -0.708 1.00 42.21 H new ATOM 0 HD2 HIS A 25 -3.931 -4.443 -2.971 1.00 45.41 H new ATOM 0 HE1 HIS A 25 -3.711 -7.943 -5.300 1.00 12.14 H new ATOM 0 HE2 HIS A 25 -3.372 -5.439 -5.285 1.00 2.10 H new ATOM 411 N LEU A 26 -4.698 -3.648 -0.635 1.00 15.34 N ATOM 412 CA LEU A 26 -4.416 -2.301 -1.095 1.00 63.04 C ATOM 413 C LEU A 26 -3.054 -2.271 -1.769 1.00 12.34 C ATOM 414 O LEU A 26 -2.146 -2.968 -1.356 1.00 72.25 O ATOM 415 CB LEU A 26 -4.410 -1.289 0.074 1.00 22.42 C ATOM 416 CG LEU A 26 -5.739 -0.964 0.798 1.00 50.52 C ATOM 417 CD1 LEU A 26 -6.341 -2.168 1.510 1.00 43.43 C ATOM 418 CD2 LEU A 26 -5.513 0.157 1.778 1.00 62.44 C ATOM 0 H LEU A 26 -3.992 -4.027 -0.004 1.00 15.34 H new ATOM 0 HA LEU A 26 -5.201 -2.018 -1.796 1.00 63.04 H new ATOM 0 HB2 LEU A 26 -3.710 -1.658 0.824 1.00 22.42 H new ATOM 0 HB3 LEU A 26 -4.006 -0.351 -0.306 1.00 22.42 H new ATOM 0 HG LEU A 26 -6.458 -0.664 0.036 1.00 50.52 H new ATOM 0 HD11 LEU A 26 -7.271 -1.875 1.998 1.00 43.43 H new ATOM 0 HD12 LEU A 26 -6.545 -2.956 0.784 1.00 43.43 H new ATOM 0 HD13 LEU A 26 -5.639 -2.537 2.258 1.00 43.43 H new ATOM 0 HD21 LEU A 26 -6.448 0.388 2.289 1.00 62.44 H new ATOM 0 HD22 LEU A 26 -4.764 -0.145 2.510 1.00 62.44 H new ATOM 0 HD23 LEU A 26 -5.163 1.041 1.245 1.00 62.44 H new ATOM 430 N LYS A 27 -2.922 -1.512 -2.811 1.00 22.41 N ATOM 431 CA LYS A 27 -1.644 -1.337 -3.455 1.00 55.12 C ATOM 432 C LYS A 27 -1.400 0.133 -3.726 1.00 53.14 C ATOM 433 O LYS A 27 -2.177 0.774 -4.408 1.00 71.30 O ATOM 434 CB LYS A 27 -1.511 -2.215 -4.718 1.00 75.14 C ATOM 435 CG LYS A 27 -0.227 -1.979 -5.492 1.00 44.13 C ATOM 436 CD LYS A 27 0.066 -3.059 -6.539 1.00 51.54 C ATOM 437 CE LYS A 27 -1.071 -3.309 -7.495 1.00 74.33 C ATOM 438 NZ LYS A 27 -0.712 -4.314 -8.511 1.00 72.30 N ATOM 0 H LYS A 27 -3.688 -0.996 -3.243 1.00 22.41 H new ATOM 0 HA LYS A 27 -0.860 -1.681 -2.780 1.00 55.12 H new ATOM 0 HB2 LYS A 27 -1.562 -3.264 -4.427 1.00 75.14 H new ATOM 0 HB3 LYS A 27 -2.361 -2.024 -5.374 1.00 75.14 H new ATOM 0 HG2 LYS A 27 -0.285 -1.010 -5.988 1.00 44.13 H new ATOM 0 HG3 LYS A 27 0.606 -1.929 -4.791 1.00 44.13 H new ATOM 0 HD2 LYS A 27 0.949 -2.769 -7.108 1.00 51.54 H new ATOM 0 HD3 LYS A 27 0.309 -3.990 -6.027 1.00 51.54 H new ATOM 0 HE2 LYS A 27 -1.946 -3.648 -6.940 1.00 74.33 H new ATOM 0 HE3 LYS A 27 -1.346 -2.376 -7.986 1.00 74.33 H new ATOM 0 HZ1 LYS A 27 -1.517 -4.462 -9.153 1.00 72.30 H new ATOM 0 HZ2 LYS A 27 0.108 -3.979 -9.056 1.00 72.30 H new ATOM 0 HZ3 LYS A 27 -0.473 -5.211 -8.043 1.00 72.30 H new ATOM 452 N ILE A 28 -0.316 0.648 -3.202 1.00 64.31 N ATOM 453 CA ILE A 28 -0.045 2.064 -3.248 1.00 71.21 C ATOM 454 C ILE A 28 1.012 2.391 -4.303 1.00 44.42 C ATOM 455 O ILE A 28 2.151 1.868 -4.270 1.00 31.25 O ATOM 456 CB ILE A 28 0.439 2.590 -1.864 1.00 52.24 C ATOM 457 CG1 ILE A 28 -0.564 2.200 -0.761 1.00 13.14 C ATOM 458 CG2 ILE A 28 0.609 4.112 -1.905 1.00 32.33 C ATOM 459 CD1 ILE A 28 -0.165 2.656 0.632 1.00 21.22 C ATOM 0 H ILE A 28 0.403 0.098 -2.732 1.00 64.31 H new ATOM 0 HA ILE A 28 -0.980 2.558 -3.512 1.00 71.21 H new ATOM 0 HB ILE A 28 1.403 2.134 -1.638 1.00 52.24 H new ATOM 0 HG12 ILE A 28 -1.538 2.624 -1.005 1.00 13.14 H new ATOM 0 HG13 ILE A 28 -0.680 1.116 -0.757 1.00 13.14 H new ATOM 0 HG21 ILE A 28 0.948 4.467 -0.932 1.00 32.33 H new ATOM 0 HG22 ILE A 28 1.346 4.375 -2.664 1.00 32.33 H new ATOM 0 HG23 ILE A 28 -0.346 4.578 -2.149 1.00 32.33 H new ATOM 0 HD11 ILE A 28 -0.924 2.342 1.349 1.00 21.22 H new ATOM 0 HD12 ILE A 28 0.794 2.211 0.900 1.00 21.22 H new ATOM 0 HD13 ILE A 28 -0.078 3.742 0.648 1.00 21.22 H new ATOM 471 N LEU A 29 0.627 3.231 -5.235 1.00 62.03 N ATOM 472 CA LEU A 29 1.511 3.727 -6.259 1.00 3.03 C ATOM 473 C LEU A 29 1.501 5.242 -6.213 1.00 72.23 C ATOM 474 O LEU A 29 0.554 5.889 -6.679 1.00 13.51 O ATOM 475 CB LEU A 29 1.142 3.234 -7.696 1.00 11.44 C ATOM 476 CG LEU A 29 1.284 1.723 -8.010 1.00 30.31 C ATOM 477 CD1 LEU A 29 0.278 0.877 -7.281 1.00 14.32 C ATOM 478 CD2 LEU A 29 1.202 1.462 -9.491 1.00 22.12 C ATOM 0 H LEU A 29 -0.324 3.593 -5.303 1.00 62.03 H new ATOM 0 HA LEU A 29 2.506 3.332 -6.052 1.00 3.03 H new ATOM 0 HB2 LEU A 29 0.108 3.519 -7.891 1.00 11.44 H new ATOM 0 HB3 LEU A 29 1.762 3.781 -8.406 1.00 11.44 H new ATOM 0 HG LEU A 29 2.272 1.434 -7.652 1.00 30.31 H new ATOM 0 HD11 LEU A 29 0.427 -0.171 -7.541 1.00 14.32 H new ATOM 0 HD12 LEU A 29 0.405 1.006 -6.206 1.00 14.32 H new ATOM 0 HD13 LEU A 29 -0.729 1.182 -7.566 1.00 14.32 H new ATOM 0 HD21 LEU A 29 1.305 0.393 -9.678 1.00 22.12 H new ATOM 0 HD22 LEU A 29 0.239 1.805 -9.868 1.00 22.12 H new ATOM 0 HD23 LEU A 29 2.003 1.998 -10.000 1.00 22.12 H new ATOM 490 N ASN A 30 2.511 5.806 -5.609 1.00 15.15 N ATOM 491 CA ASN A 30 2.615 7.244 -5.505 1.00 33.04 C ATOM 492 C ASN A 30 3.236 7.756 -6.782 1.00 61.22 C ATOM 493 O ASN A 30 4.360 7.421 -7.111 1.00 24.33 O ATOM 494 CB ASN A 30 3.462 7.626 -4.269 1.00 14.12 C ATOM 495 CG ASN A 30 3.532 9.135 -3.930 1.00 3.54 C ATOM 496 OD1 ASN A 30 3.517 10.011 -4.912 1.00 54.34 O flip ATOM 497 ND2 ASN A 30 3.636 9.497 -2.762 1.00 41.23 N flip ATOM 0 H ASN A 30 3.280 5.293 -5.178 1.00 15.15 H new ATOM 0 HA ASN A 30 1.632 7.697 -5.374 1.00 33.04 H new ATOM 0 HB2 ASN A 30 3.062 7.098 -3.403 1.00 14.12 H new ATOM 0 HB3 ASN A 30 4.478 7.262 -4.423 1.00 14.12 H new ATOM 0 HD21 ASN A 30 3.646 8.805 -2.013 1.00 41.23 H new ATOM 0 HD22 ASN A 30 3.712 10.490 -2.541 1.00 41.23 H new ATOM 504 N THR A 31 2.500 8.545 -7.497 1.00 53.30 N ATOM 505 CA THR A 31 2.952 9.066 -8.747 1.00 2.23 C ATOM 506 C THR A 31 3.112 10.577 -8.626 1.00 55.33 C ATOM 507 O THR A 31 2.566 11.166 -7.708 1.00 22.32 O ATOM 508 CB THR A 31 1.912 8.736 -9.844 1.00 62.14 C ATOM 509 OG1 THR A 31 0.635 9.313 -9.491 1.00 24.34 O ATOM 510 CG2 THR A 31 1.753 7.228 -9.976 1.00 64.23 C ATOM 0 H THR A 31 1.564 8.848 -7.229 1.00 53.30 H new ATOM 0 HA THR A 31 3.910 8.618 -9.013 1.00 2.23 H new ATOM 0 HB THR A 31 2.257 9.149 -10.792 1.00 62.14 H new ATOM 0 HG1 THR A 31 -0.080 8.844 -9.970 1.00 24.34 H new ATOM 0 HG21 THR A 31 1.019 7.006 -10.751 1.00 64.23 H new ATOM 0 HG22 THR A 31 2.711 6.783 -10.246 1.00 64.23 H new ATOM 0 HG23 THR A 31 1.415 6.813 -9.026 1.00 64.23 H new ATOM 518 N PRO A 32 3.871 11.228 -9.522 1.00 34.12 N ATOM 519 CA PRO A 32 4.001 12.689 -9.523 1.00 14.13 C ATOM 520 C PRO A 32 2.814 13.359 -10.240 1.00 23.01 C ATOM 521 O PRO A 32 2.806 14.563 -10.470 1.00 64.11 O ATOM 522 CB PRO A 32 5.312 12.937 -10.307 1.00 52.14 C ATOM 523 CG PRO A 32 5.863 11.576 -10.626 1.00 21.12 C ATOM 524 CD PRO A 32 4.710 10.621 -10.556 1.00 24.42 C ATOM 0 HA PRO A 32 4.014 13.105 -8.515 1.00 14.13 H new ATOM 0 HB2 PRO A 32 5.121 13.505 -11.218 1.00 52.14 H new ATOM 0 HB3 PRO A 32 6.019 13.516 -9.713 1.00 52.14 H new ATOM 0 HG2 PRO A 32 6.317 11.564 -11.617 1.00 21.12 H new ATOM 0 HG3 PRO A 32 6.641 11.297 -9.916 1.00 21.12 H new ATOM 0 HD2 PRO A 32 4.188 10.542 -11.510 1.00 24.42 H new ATOM 0 HD3 PRO A 32 5.030 9.615 -10.283 1.00 24.42 H new ATOM 532 N ASN A 33 1.830 12.553 -10.597 1.00 15.45 N ATOM 533 CA ASN A 33 0.627 13.021 -11.293 1.00 44.24 C ATOM 534 C ASN A 33 -0.544 13.078 -10.296 1.00 61.24 C ATOM 535 O ASN A 33 -1.489 13.848 -10.454 1.00 5.41 O ATOM 536 CB ASN A 33 0.345 12.071 -12.494 1.00 25.23 C ATOM 537 CG ASN A 33 -0.877 12.410 -13.388 1.00 10.21 C ATOM 538 OD1 ASN A 33 -1.895 12.929 -12.948 1.00 15.12 O ATOM 539 ND2 ASN A 33 -0.758 12.112 -14.662 1.00 24.43 N ATOM 0 H ASN A 33 1.835 11.549 -10.415 1.00 15.45 H new ATOM 0 HA ASN A 33 0.764 14.027 -11.689 1.00 44.24 H new ATOM 0 HB2 ASN A 33 1.233 12.052 -13.126 1.00 25.23 H new ATOM 0 HB3 ASN A 33 0.210 11.062 -12.104 1.00 25.23 H new ATOM 0 HD21 ASN A 33 -1.523 12.313 -15.306 1.00 24.43 H new ATOM 0 HD22 ASN A 33 0.099 11.680 -15.007 1.00 24.43 H new ATOM 546 N CYS A 34 -0.438 12.305 -9.248 1.00 74.44 N ATOM 547 CA CYS A 34 -1.453 12.258 -8.221 1.00 72.34 C ATOM 548 C CYS A 34 -0.817 12.541 -6.869 1.00 21.45 C ATOM 549 O CYS A 34 0.389 12.426 -6.725 1.00 73.30 O ATOM 550 CB CYS A 34 -2.160 10.884 -8.210 1.00 64.54 C ATOM 551 SG CYS A 34 -3.209 10.532 -9.648 1.00 62.44 S ATOM 0 H CYS A 34 0.356 11.687 -9.079 1.00 74.44 H new ATOM 0 HA CYS A 34 -2.205 13.018 -8.431 1.00 72.34 H new ATOM 0 HB2 CYS A 34 -1.401 10.105 -8.137 1.00 64.54 H new ATOM 0 HB3 CYS A 34 -2.772 10.818 -7.311 1.00 64.54 H new ATOM 556 N ALA A 35 -1.627 12.937 -5.894 1.00 23.53 N ATOM 557 CA ALA A 35 -1.145 13.204 -4.535 1.00 54.34 C ATOM 558 C ALA A 35 -0.498 11.943 -3.973 1.00 51.01 C ATOM 559 O ALA A 35 0.605 11.970 -3.424 1.00 41.21 O ATOM 560 CB ALA A 35 -2.312 13.633 -3.654 1.00 14.01 C ATOM 0 H ALA A 35 -2.629 13.082 -6.017 1.00 23.53 H new ATOM 0 HA ALA A 35 -0.407 14.006 -4.557 1.00 54.34 H new ATOM 0 HB1 ALA A 35 -1.952 13.831 -2.644 1.00 14.01 H new ATOM 0 HB2 ALA A 35 -2.763 14.537 -4.062 1.00 14.01 H new ATOM 0 HB3 ALA A 35 -3.057 12.838 -3.624 1.00 14.01 H new ATOM 566 N CYS A 36 -1.209 10.864 -4.136 1.00 24.14 N ATOM 567 CA CYS A 36 -0.808 9.531 -3.782 1.00 43.45 C ATOM 568 C CYS A 36 -1.938 8.679 -4.328 1.00 73.13 C ATOM 569 O CYS A 36 -3.019 9.224 -4.564 1.00 30.40 O ATOM 570 CB CYS A 36 -0.661 9.391 -2.243 1.00 3.01 C ATOM 571 SG CYS A 36 0.015 7.793 -1.672 1.00 31.43 S ATOM 0 H CYS A 36 -2.143 10.893 -4.545 1.00 24.14 H new ATOM 0 HA CYS A 36 0.163 9.242 -4.184 1.00 43.45 H new ATOM 0 HB2 CYS A 36 -0.016 10.191 -1.881 1.00 3.01 H new ATOM 0 HB3 CYS A 36 -1.639 9.539 -1.785 1.00 3.01 H new ATOM 576 N GLN A 37 -1.729 7.417 -4.593 1.00 12.20 N ATOM 577 CA GLN A 37 -2.803 6.644 -5.195 1.00 1.11 C ATOM 578 C GLN A 37 -2.810 5.225 -4.674 1.00 44.24 C ATOM 579 O GLN A 37 -1.759 4.584 -4.590 1.00 72.42 O ATOM 580 CB GLN A 37 -2.675 6.662 -6.729 1.00 10.52 C ATOM 581 CG GLN A 37 -3.868 6.064 -7.464 1.00 12.23 C ATOM 582 CD GLN A 37 -5.174 6.804 -7.163 1.00 2.43 C ATOM 583 OE1 GLN A 37 -6.240 6.220 -7.181 1.00 2.20 O ATOM 584 NE2 GLN A 37 -5.086 8.093 -6.885 1.00 31.52 N ATOM 0 H GLN A 37 -0.863 6.910 -4.413 1.00 12.20 H new ATOM 0 HA GLN A 37 -3.752 7.103 -4.919 1.00 1.11 H new ATOM 0 HB2 GLN A 37 -2.539 7.692 -7.059 1.00 10.52 H new ATOM 0 HB3 GLN A 37 -1.776 6.115 -7.014 1.00 10.52 H new ATOM 0 HG2 GLN A 37 -3.679 6.089 -8.537 1.00 12.23 H new ATOM 0 HG3 GLN A 37 -3.975 5.016 -7.184 1.00 12.23 H new ATOM 0 HE21 GLN A 37 -4.175 8.552 -6.878 1.00 31.52 H new ATOM 0 HE22 GLN A 37 -5.929 8.629 -6.677 1.00 31.52 H new ATOM 593 N ILE A 38 -3.979 4.743 -4.315 1.00 73.21 N ATOM 594 CA ILE A 38 -4.125 3.411 -3.788 1.00 5.53 C ATOM 595 C ILE A 38 -5.074 2.628 -4.677 1.00 40.43 C ATOM 596 O ILE A 38 -6.201 3.035 -4.889 1.00 45.45 O ATOM 597 CB ILE A 38 -4.697 3.441 -2.349 1.00 3.33 C ATOM 598 CG1 ILE A 38 -3.855 4.373 -1.462 1.00 72.11 C ATOM 599 CG2 ILE A 38 -4.725 2.030 -1.767 1.00 54.34 C ATOM 600 CD1 ILE A 38 -4.307 4.447 -0.023 1.00 73.25 C ATOM 0 H ILE A 38 -4.853 5.265 -4.381 1.00 73.21 H new ATOM 0 HA ILE A 38 -3.143 2.940 -3.763 1.00 5.53 H new ATOM 0 HB ILE A 38 -5.717 3.824 -2.382 1.00 3.33 H new ATOM 0 HG12 ILE A 38 -2.818 4.038 -1.487 1.00 72.11 H new ATOM 0 HG13 ILE A 38 -3.876 5.376 -1.888 1.00 72.11 H new ATOM 0 HG21 ILE A 38 -5.129 2.062 -0.755 1.00 54.34 H new ATOM 0 HG22 ILE A 38 -5.354 1.392 -2.389 1.00 54.34 H new ATOM 0 HG23 ILE A 38 -3.713 1.627 -1.741 1.00 54.34 H new ATOM 0 HD11 ILE A 38 -3.657 5.126 0.528 1.00 73.25 H new ATOM 0 HD12 ILE A 38 -5.333 4.813 0.018 1.00 73.25 H new ATOM 0 HD13 ILE A 38 -4.258 3.455 0.425 1.00 73.25 H new ATOM 612 N VAL A 39 -4.615 1.531 -5.195 1.00 10.30 N ATOM 613 CA VAL A 39 -5.419 0.705 -6.060 1.00 73.02 C ATOM 614 C VAL A 39 -5.748 -0.600 -5.327 1.00 31.40 C ATOM 615 O VAL A 39 -4.844 -1.289 -4.827 1.00 4.42 O ATOM 616 CB VAL A 39 -4.670 0.373 -7.370 1.00 44.30 C ATOM 617 CG1 VAL A 39 -5.603 -0.292 -8.357 1.00 64.51 C ATOM 618 CG2 VAL A 39 -4.026 1.615 -7.974 1.00 5.23 C ATOM 0 H VAL A 39 -3.672 1.177 -5.034 1.00 10.30 H new ATOM 0 HA VAL A 39 -6.330 1.248 -6.314 1.00 73.02 H new ATOM 0 HB VAL A 39 -3.867 -0.325 -7.132 1.00 44.30 H new ATOM 0 HG11 VAL A 39 -5.060 -0.519 -9.274 1.00 64.51 H new ATOM 0 HG12 VAL A 39 -5.990 -1.215 -7.926 1.00 64.51 H new ATOM 0 HG13 VAL A 39 -6.432 0.379 -8.583 1.00 64.51 H new ATOM 0 HG21 VAL A 39 -3.508 1.345 -8.894 1.00 5.23 H new ATOM 0 HG22 VAL A 39 -4.797 2.354 -8.195 1.00 5.23 H new ATOM 0 HG23 VAL A 39 -3.312 2.036 -7.266 1.00 5.23 H new ATOM 628 N ALA A 40 -7.003 -0.951 -5.278 1.00 32.13 N ATOM 629 CA ALA A 40 -7.449 -2.103 -4.534 1.00 72.24 C ATOM 630 C ALA A 40 -8.348 -3.004 -5.375 1.00 64.43 C ATOM 631 O ALA A 40 -9.218 -2.529 -6.100 1.00 40.14 O ATOM 632 CB ALA A 40 -8.195 -1.640 -3.291 1.00 73.21 C ATOM 0 H ALA A 40 -7.751 -0.446 -5.754 1.00 32.13 H new ATOM 0 HA ALA A 40 -6.573 -2.686 -4.249 1.00 72.24 H new ATOM 0 HB1 ALA A 40 -8.534 -2.508 -2.726 1.00 73.21 H new ATOM 0 HB2 ALA A 40 -7.530 -1.040 -2.670 1.00 73.21 H new ATOM 0 HB3 ALA A 40 -9.056 -1.040 -3.586 1.00 73.21 H new ATOM 638 N ARG A 41 -8.138 -4.303 -5.283 1.00 21.21 N ATOM 639 CA ARG A 41 -8.998 -5.241 -5.977 1.00 44.10 C ATOM 640 C ARG A 41 -10.055 -5.771 -5.015 1.00 12.22 C ATOM 641 O ARG A 41 -9.731 -6.188 -3.903 1.00 5.54 O ATOM 642 CB ARG A 41 -8.219 -6.397 -6.648 1.00 63.52 C ATOM 643 CG ARG A 41 -7.280 -5.974 -7.772 1.00 51.04 C ATOM 644 CD ARG A 41 -6.802 -7.186 -8.562 1.00 2.24 C ATOM 645 NE ARG A 41 -6.014 -6.816 -9.748 1.00 51.13 N ATOM 646 CZ ARG A 41 -5.444 -7.688 -10.600 1.00 34.24 C ATOM 647 NH1 ARG A 41 -5.573 -9.000 -10.418 1.00 53.04 N ATOM 648 NH2 ARG A 41 -4.764 -7.243 -11.640 1.00 15.43 N ATOM 0 H ARG A 41 -7.387 -4.729 -4.740 1.00 21.21 H new ATOM 0 HA ARG A 41 -9.483 -4.702 -6.791 1.00 44.10 H new ATOM 0 HB2 ARG A 41 -7.638 -6.915 -5.885 1.00 63.52 H new ATOM 0 HB3 ARG A 41 -8.936 -7.116 -7.045 1.00 63.52 H new ATOM 0 HG2 ARG A 41 -7.792 -5.279 -8.438 1.00 51.04 H new ATOM 0 HG3 ARG A 41 -6.423 -5.444 -7.356 1.00 51.04 H new ATOM 0 HD2 ARG A 41 -6.199 -7.822 -7.914 1.00 2.24 H new ATOM 0 HD3 ARG A 41 -7.665 -7.775 -8.873 1.00 2.24 H new ATOM 0 HE ARG A 41 -5.890 -5.822 -9.939 1.00 51.13 H new ATOM 0 HH11 ARG A 41 -6.109 -9.355 -9.626 1.00 53.04 H new ATOM 0 HH12 ARG A 41 -5.136 -9.651 -11.071 1.00 53.04 H new ATOM 0 HH21 ARG A 41 -4.671 -6.239 -11.797 1.00 15.43 H new ATOM 0 HH22 ARG A 41 -4.331 -7.903 -12.287 1.00 15.43 H new ATOM 662 N LEU A 42 -11.297 -5.724 -5.442 1.00 40.20 N ATOM 663 CA LEU A 42 -12.456 -6.101 -4.626 1.00 42.22 C ATOM 664 C LEU A 42 -12.690 -7.607 -4.597 1.00 14.14 C ATOM 665 O LEU A 42 -12.309 -8.333 -5.523 1.00 50.13 O ATOM 666 CB LEU A 42 -13.730 -5.448 -5.195 1.00 23.33 C ATOM 667 CG LEU A 42 -13.778 -3.923 -5.259 1.00 54.44 C ATOM 668 CD1 LEU A 42 -15.062 -3.479 -5.934 1.00 20.30 C ATOM 669 CD2 LEU A 42 -13.704 -3.335 -3.872 1.00 42.43 C ATOM 0 H LEU A 42 -11.547 -5.418 -6.383 1.00 40.20 H new ATOM 0 HA LEU A 42 -12.243 -5.758 -3.613 1.00 42.22 H new ATOM 0 HB2 LEU A 42 -13.881 -5.831 -6.204 1.00 23.33 H new ATOM 0 HB3 LEU A 42 -14.576 -5.785 -4.596 1.00 23.33 H new ATOM 0 HG LEU A 42 -12.923 -3.570 -5.836 1.00 54.44 H new ATOM 0 HD11 LEU A 42 -15.092 -2.390 -5.978 1.00 20.30 H new ATOM 0 HD12 LEU A 42 -15.100 -3.884 -6.945 1.00 20.30 H new ATOM 0 HD13 LEU A 42 -15.917 -3.843 -5.365 1.00 20.30 H new ATOM 0 HD21 LEU A 42 -13.739 -2.247 -3.936 1.00 42.43 H new ATOM 0 HD22 LEU A 42 -14.547 -3.692 -3.280 1.00 42.43 H new ATOM 0 HD23 LEU A 42 -12.772 -3.641 -3.397 1.00 42.43 H new ATOM 681 N LYS A 43 -13.308 -8.067 -3.520 1.00 2.24 N ATOM 682 CA LYS A 43 -13.777 -9.433 -3.419 1.00 11.22 C ATOM 683 C LYS A 43 -15.104 -9.570 -4.109 1.00 53.42 C ATOM 684 O LYS A 43 -15.911 -8.641 -4.083 1.00 20.22 O ATOM 685 CB LYS A 43 -13.732 -9.966 -1.973 1.00 64.33 C ATOM 686 CG LYS A 43 -13.875 -8.888 -0.916 1.00 64.34 C ATOM 687 CD LYS A 43 -13.578 -9.410 0.469 1.00 31.34 C ATOM 688 CE LYS A 43 -14.646 -10.351 0.998 1.00 54.43 C ATOM 689 NZ LYS A 43 -15.927 -9.647 1.233 1.00 14.23 N ATOM 0 H LYS A 43 -13.497 -7.500 -2.693 1.00 2.24 H new ATOM 0 HA LYS A 43 -13.088 -10.091 -3.950 1.00 11.22 H new ATOM 0 HB2 LYS A 43 -14.529 -10.698 -1.841 1.00 64.33 H new ATOM 0 HB3 LYS A 43 -12.789 -10.490 -1.818 1.00 64.33 H new ATOM 0 HG2 LYS A 43 -13.199 -8.064 -1.145 1.00 64.34 H new ATOM 0 HG3 LYS A 43 -14.888 -8.487 -0.942 1.00 64.34 H new ATOM 0 HD2 LYS A 43 -12.620 -9.929 0.456 1.00 31.34 H new ATOM 0 HD3 LYS A 43 -13.475 -8.568 1.153 1.00 31.34 H new ATOM 0 HE2 LYS A 43 -14.801 -11.162 0.287 1.00 54.43 H new ATOM 0 HE3 LYS A 43 -14.304 -10.804 1.928 1.00 54.43 H new ATOM 0 HZ1 LYS A 43 -16.526 -10.218 1.863 1.00 14.23 H new ATOM 0 HZ2 LYS A 43 -15.740 -8.724 1.675 1.00 14.23 H new ATOM 0 HZ3 LYS A 43 -16.416 -9.503 0.326 1.00 14.23 H new ATOM 745 N ARG A 47 -14.959 -5.103 -10.145 1.00 73.42 N ATOM 746 CA ARG A 47 -13.997 -4.351 -10.907 1.00 22.45 C ATOM 747 C ARG A 47 -12.907 -3.983 -9.922 1.00 74.21 C ATOM 748 O ARG A 47 -13.100 -4.156 -8.710 1.00 22.43 O ATOM 749 CB ARG A 47 -14.576 -3.046 -11.575 1.00 54.53 C ATOM 750 CG ARG A 47 -14.600 -1.776 -10.697 1.00 15.22 C ATOM 751 CD ARG A 47 -15.615 -1.798 -9.579 1.00 11.20 C ATOM 752 NE ARG A 47 -16.983 -1.656 -10.067 1.00 2.21 N ATOM 753 CZ ARG A 47 -17.803 -0.652 -9.711 1.00 63.33 C ATOM 754 NH1 ARG A 47 -17.327 0.396 -9.023 1.00 11.40 N ATOM 755 NH2 ARG A 47 -19.077 -0.669 -10.094 1.00 43.13 N ATOM 0 HA ARG A 47 -13.648 -4.957 -11.743 1.00 22.45 H new ATOM 0 HB2 ARG A 47 -13.991 -2.832 -12.469 1.00 54.53 H new ATOM 0 HB3 ARG A 47 -15.595 -3.254 -11.903 1.00 54.53 H new ATOM 0 HG2 ARG A 47 -13.609 -1.630 -10.267 1.00 15.22 H new ATOM 0 HG3 ARG A 47 -14.801 -0.915 -11.334 1.00 15.22 H new ATOM 0 HD2 ARG A 47 -15.524 -2.734 -9.028 1.00 11.20 H new ATOM 0 HD3 ARG A 47 -15.397 -0.993 -8.878 1.00 11.20 H new ATOM 0 HE ARG A 47 -17.337 -2.359 -10.716 1.00 2.21 H new ATOM 0 HH11 ARG A 47 -16.340 0.433 -8.768 1.00 11.40 H new ATOM 0 HH12 ARG A 47 -17.952 1.156 -8.754 1.00 11.40 H new ATOM 0 HH21 ARG A 47 -19.430 -1.443 -10.657 1.00 43.13 H new ATOM 0 HH22 ARG A 47 -19.701 0.092 -9.825 1.00 43.13 H new ATOM 769 N GLN A 48 -11.817 -3.476 -10.386 1.00 22.15 N ATOM 770 CA GLN A 48 -10.763 -3.070 -9.493 1.00 62.33 C ATOM 771 C GLN A 48 -10.865 -1.572 -9.265 1.00 2.33 C ATOM 772 O GLN A 48 -11.038 -0.800 -10.213 1.00 31.21 O ATOM 773 CB GLN A 48 -9.392 -3.528 -10.023 1.00 45.12 C ATOM 774 CG GLN A 48 -9.119 -3.140 -11.463 1.00 13.13 C ATOM 775 CD GLN A 48 -7.837 -3.731 -12.012 1.00 25.31 C ATOM 776 OE1 GLN A 48 -7.404 -4.817 -11.601 1.00 72.53 O ATOM 777 NE2 GLN A 48 -7.236 -3.052 -12.946 1.00 33.15 N ATOM 0 H GLN A 48 -11.623 -3.329 -11.376 1.00 22.15 H new ATOM 0 HA GLN A 48 -10.872 -3.555 -8.523 1.00 62.33 H new ATOM 0 HB2 GLN A 48 -8.611 -3.105 -9.391 1.00 45.12 H new ATOM 0 HB3 GLN A 48 -9.324 -4.612 -9.932 1.00 45.12 H new ATOM 0 HG2 GLN A 48 -9.955 -3.464 -12.084 1.00 13.13 H new ATOM 0 HG3 GLN A 48 -9.070 -2.054 -11.536 1.00 13.13 H new ATOM 0 HE21 GLN A 48 -7.623 -2.161 -13.258 1.00 33.15 H new ATOM 0 HE22 GLN A 48 -6.378 -3.411 -13.366 1.00 33.15 H new ATOM 786 N VAL A 49 -10.799 -1.170 -8.019 1.00 12.31 N ATOM 787 CA VAL A 49 -11.068 0.203 -7.648 1.00 21.11 C ATOM 788 C VAL A 49 -9.831 0.920 -7.182 1.00 2.30 C ATOM 789 O VAL A 49 -8.860 0.304 -6.756 1.00 62.50 O ATOM 790 CB VAL A 49 -12.183 0.333 -6.566 1.00 21.51 C ATOM 791 CG1 VAL A 49 -13.489 -0.262 -7.050 1.00 41.13 C ATOM 792 CG2 VAL A 49 -11.774 -0.279 -5.234 1.00 30.21 C ATOM 0 H VAL A 49 -10.559 -1.779 -7.236 1.00 12.31 H new ATOM 0 HA VAL A 49 -11.426 0.678 -8.561 1.00 21.11 H new ATOM 0 HB VAL A 49 -12.331 1.400 -6.398 1.00 21.51 H new ATOM 0 HG11 VAL A 49 -14.247 -0.156 -6.274 1.00 41.13 H new ATOM 0 HG12 VAL A 49 -13.815 0.260 -7.949 1.00 41.13 H new ATOM 0 HG13 VAL A 49 -13.346 -1.319 -7.276 1.00 41.13 H new ATOM 0 HG21 VAL A 49 -12.585 -0.162 -4.515 1.00 30.21 H new ATOM 0 HG22 VAL A 49 -11.561 -1.339 -5.371 1.00 30.21 H new ATOM 0 HG23 VAL A 49 -10.883 0.225 -4.860 1.00 30.21 H new ATOM 802 N CYS A 50 -9.867 2.197 -7.274 1.00 75.15 N ATOM 803 CA CYS A 50 -8.781 3.019 -6.853 1.00 72.11 C ATOM 804 C CYS A 50 -9.313 3.959 -5.830 1.00 15.22 C ATOM 805 O CYS A 50 -10.262 4.624 -6.076 1.00 30.44 O ATOM 806 CB CYS A 50 -8.243 3.772 -8.039 1.00 75.23 C ATOM 807 SG CYS A 50 -7.725 2.679 -9.396 1.00 14.40 S ATOM 0 H CYS A 50 -10.662 2.715 -7.649 1.00 75.15 H new ATOM 0 HA CYS A 50 -7.969 2.427 -6.431 1.00 72.11 H new ATOM 0 HB2 CYS A 50 -9.007 4.459 -8.404 1.00 75.23 H new ATOM 0 HB3 CYS A 50 -7.394 4.378 -7.723 1.00 75.23 H new ATOM 812 N ILE A 51 -8.695 4.018 -4.701 1.00 12.41 N ATOM 813 CA ILE A 51 -9.215 4.757 -3.569 1.00 24.14 C ATOM 814 C ILE A 51 -8.381 5.951 -3.210 1.00 4.34 C ATOM 815 O ILE A 51 -7.191 6.028 -3.568 1.00 13.52 O ATOM 816 CB ILE A 51 -9.366 3.836 -2.355 1.00 63.40 C ATOM 817 CG1 ILE A 51 -8.088 3.048 -2.117 1.00 34.14 C ATOM 818 CG2 ILE A 51 -10.545 2.930 -2.477 1.00 43.51 C ATOM 819 CD1 ILE A 51 -8.269 1.856 -1.228 1.00 61.42 C ATOM 0 H ILE A 51 -7.804 3.555 -4.521 1.00 12.41 H new ATOM 0 HA ILE A 51 -10.192 5.135 -3.869 1.00 24.14 H new ATOM 0 HB ILE A 51 -9.546 4.470 -1.487 1.00 63.40 H new ATOM 0 HG12 ILE A 51 -7.692 2.717 -3.077 1.00 34.14 H new ATOM 0 HG13 ILE A 51 -7.342 3.709 -1.676 1.00 34.14 H new ATOM 0 HG21 ILE A 51 -10.610 2.296 -1.592 1.00 43.51 H new ATOM 0 HG22 ILE A 51 -11.454 3.525 -2.565 1.00 43.51 H new ATOM 0 HG23 ILE A 51 -10.434 2.305 -3.363 1.00 43.51 H new ATOM 0 HD11 ILE A 51 -7.314 1.345 -1.105 1.00 61.42 H new ATOM 0 HD12 ILE A 51 -8.634 2.181 -0.254 1.00 61.42 H new ATOM 0 HD13 ILE A 51 -8.991 1.173 -1.677 1.00 61.42 H new ATOM 831 N ASP A 52 -9.003 6.892 -2.508 1.00 31.12 N ATOM 832 CA ASP A 52 -8.313 8.093 -2.089 1.00 54.12 C ATOM 833 C ASP A 52 -7.393 7.773 -0.906 1.00 5.34 C ATOM 834 O ASP A 52 -7.781 7.051 0.005 1.00 44.40 O ATOM 835 CB ASP A 52 -9.323 9.177 -1.702 1.00 2.35 C ATOM 836 CG ASP A 52 -8.668 10.503 -1.384 1.00 22.33 C ATOM 837 OD1 ASP A 52 -8.392 11.289 -2.319 1.00 20.12 O ATOM 838 OD2 ASP A 52 -8.419 10.767 -0.225 1.00 70.42 O ATOM 0 H ASP A 52 -9.980 6.841 -2.221 1.00 31.12 H new ATOM 0 HA ASP A 52 -7.709 8.466 -2.917 1.00 54.12 H new ATOM 0 HB2 ASP A 52 -10.032 9.314 -2.518 1.00 2.35 H new ATOM 0 HB3 ASP A 52 -9.894 8.842 -0.836 1.00 2.35 H new ATOM 843 N PRO A 53 -6.156 8.282 -0.916 1.00 33.02 N ATOM 844 CA PRO A 53 -5.179 8.051 0.171 1.00 14.23 C ATOM 845 C PRO A 53 -5.560 8.757 1.490 1.00 3.13 C ATOM 846 O PRO A 53 -4.969 8.510 2.544 1.00 53.21 O ATOM 847 CB PRO A 53 -3.894 8.655 -0.395 1.00 23.11 C ATOM 848 CG PRO A 53 -4.352 9.671 -1.381 1.00 33.02 C ATOM 849 CD PRO A 53 -5.583 9.097 -2.003 1.00 23.33 C ATOM 0 HA PRO A 53 -5.110 6.995 0.433 1.00 14.23 H new ATOM 0 HB2 PRO A 53 -3.292 9.110 0.391 1.00 23.11 H new ATOM 0 HB3 PRO A 53 -3.275 7.894 -0.870 1.00 23.11 H new ATOM 0 HG2 PRO A 53 -4.566 10.622 -0.894 1.00 33.02 H new ATOM 0 HG3 PRO A 53 -3.586 9.862 -2.132 1.00 33.02 H new ATOM 0 HD2 PRO A 53 -6.272 9.877 -2.329 1.00 23.33 H new ATOM 0 HD3 PRO A 53 -5.348 8.493 -2.879 1.00 23.33 H new ATOM 857 N LYS A 54 -6.541 9.612 1.424 1.00 23.24 N ATOM 858 CA LYS A 54 -6.969 10.382 2.554 1.00 15.12 C ATOM 859 C LYS A 54 -8.384 9.951 2.965 1.00 24.12 C ATOM 860 O LYS A 54 -9.048 10.596 3.804 1.00 52.41 O ATOM 861 CB LYS A 54 -6.964 11.835 2.144 1.00 43.21 C ATOM 862 CG LYS A 54 -5.612 12.329 1.619 1.00 63.45 C ATOM 863 CD LYS A 54 -5.726 13.694 0.948 1.00 31.31 C ATOM 864 CE LYS A 54 -6.615 13.624 -0.296 1.00 5.13 C ATOM 865 NZ LYS A 54 -6.774 14.937 -0.961 1.00 75.33 N ATOM 0 H LYS A 54 -7.072 9.795 0.572 1.00 23.24 H new ATOM 0 HA LYS A 54 -6.304 10.227 3.404 1.00 15.12 H new ATOM 0 HB2 LYS A 54 -7.719 11.987 1.373 1.00 43.21 H new ATOM 0 HB3 LYS A 54 -7.255 12.444 3.000 1.00 43.21 H new ATOM 0 HG2 LYS A 54 -4.902 12.388 2.444 1.00 63.45 H new ATOM 0 HG3 LYS A 54 -5.213 11.607 0.907 1.00 63.45 H new ATOM 0 HD2 LYS A 54 -6.138 14.416 1.653 1.00 31.31 H new ATOM 0 HD3 LYS A 54 -4.734 14.050 0.670 1.00 31.31 H new ATOM 0 HE2 LYS A 54 -6.188 12.913 -1.003 1.00 5.13 H new ATOM 0 HE3 LYS A 54 -7.597 13.243 -0.015 1.00 5.13 H new ATOM 0 HZ1 LYS A 54 -7.385 14.831 -1.796 1.00 75.33 H new ATOM 0 HZ2 LYS A 54 -7.207 15.612 -0.298 1.00 75.33 H new ATOM 0 HZ3 LYS A 54 -5.842 15.292 -1.256 1.00 75.33 H new ATOM 879 N LEU A 55 -8.831 8.860 2.364 1.00 51.32 N ATOM 880 CA LEU A 55 -10.123 8.273 2.613 1.00 12.30 C ATOM 881 C LEU A 55 -10.193 7.860 4.101 1.00 15.42 C ATOM 882 O LEU A 55 -9.206 7.406 4.651 1.00 5.12 O ATOM 883 CB LEU A 55 -10.210 7.041 1.728 1.00 50.22 C ATOM 884 CG LEU A 55 -11.562 6.575 1.266 1.00 40.31 C ATOM 885 CD1 LEU A 55 -11.404 5.337 0.406 1.00 41.40 C ATOM 886 CD2 LEU A 55 -12.520 6.328 2.402 1.00 4.24 C ATOM 0 H LEU A 55 -8.284 8.349 1.671 1.00 51.32 H new ATOM 0 HA LEU A 55 -10.940 8.963 2.400 1.00 12.30 H new ATOM 0 HB2 LEU A 55 -9.605 7.228 0.841 1.00 50.22 H new ATOM 0 HB3 LEU A 55 -9.742 6.216 2.265 1.00 50.22 H new ATOM 0 HG LEU A 55 -12.002 7.378 0.675 1.00 40.31 H new ATOM 0 HD11 LEU A 55 -12.385 4.999 0.071 1.00 41.40 H new ATOM 0 HD12 LEU A 55 -10.786 5.572 -0.460 1.00 41.40 H new ATOM 0 HD13 LEU A 55 -10.928 4.548 0.988 1.00 41.40 H new ATOM 0 HD21 LEU A 55 -13.478 5.994 2.004 1.00 4.24 H new ATOM 0 HD22 LEU A 55 -12.113 5.561 3.061 1.00 4.24 H new ATOM 0 HD23 LEU A 55 -12.663 7.251 2.965 1.00 4.24 H new ATOM 898 N LYS A 56 -11.361 8.012 4.717 1.00 23.32 N ATOM 899 CA LYS A 56 -11.561 7.742 6.136 1.00 63.40 C ATOM 900 C LYS A 56 -11.062 6.374 6.602 1.00 64.25 C ATOM 901 O LYS A 56 -10.305 6.299 7.566 1.00 63.22 O ATOM 902 CB LYS A 56 -13.005 7.939 6.526 1.00 15.41 C ATOM 903 CG LYS A 56 -13.232 7.725 8.000 1.00 74.44 C ATOM 904 CD LYS A 56 -14.597 8.158 8.432 1.00 44.35 C ATOM 905 CE LYS A 56 -15.708 7.374 7.755 1.00 35.31 C ATOM 906 NZ LYS A 56 -17.043 7.891 8.122 1.00 52.41 N ATOM 0 H LYS A 56 -12.204 8.330 4.239 1.00 23.32 H new ATOM 0 HA LYS A 56 -10.938 8.472 6.653 1.00 63.40 H new ATOM 0 HB2 LYS A 56 -13.318 8.947 6.255 1.00 15.41 H new ATOM 0 HB3 LYS A 56 -13.630 7.248 5.960 1.00 15.41 H new ATOM 0 HG2 LYS A 56 -13.096 6.670 8.237 1.00 74.44 H new ATOM 0 HG3 LYS A 56 -12.482 8.278 8.565 1.00 74.44 H new ATOM 0 HD2 LYS A 56 -14.684 8.043 9.512 1.00 44.35 H new ATOM 0 HD3 LYS A 56 -14.722 9.218 8.213 1.00 44.35 H new ATOM 0 HE2 LYS A 56 -15.583 7.425 6.673 1.00 35.31 H new ATOM 0 HE3 LYS A 56 -15.635 6.323 8.035 1.00 35.31 H new ATOM 0 HZ1 LYS A 56 -17.776 7.332 7.641 1.00 52.41 H new ATOM 0 HZ2 LYS A 56 -17.172 7.819 9.151 1.00 52.41 H new ATOM 0 HZ3 LYS A 56 -17.121 8.887 7.832 1.00 52.41 H new ATOM 920 N TRP A 57 -11.467 5.298 5.945 1.00 11.14 N ATOM 921 CA TRP A 57 -10.992 3.993 6.377 1.00 43.44 C ATOM 922 C TRP A 57 -9.527 3.801 6.039 1.00 32.13 C ATOM 923 O TRP A 57 -8.833 3.065 6.714 1.00 30.13 O ATOM 924 CB TRP A 57 -11.865 2.824 5.905 1.00 13.20 C ATOM 925 CG TRP A 57 -12.011 2.681 4.436 1.00 2.44 C ATOM 926 CD1 TRP A 57 -12.975 3.226 3.667 1.00 23.33 C ATOM 927 CD2 TRP A 57 -11.182 1.913 3.561 1.00 51.11 C ATOM 928 NE1 TRP A 57 -12.799 2.861 2.368 1.00 32.51 N ATOM 929 CE2 TRP A 57 -11.710 2.047 2.274 1.00 71.13 C ATOM 930 CE3 TRP A 57 -10.043 1.125 3.740 1.00 62.35 C ATOM 931 CZ2 TRP A 57 -11.148 1.427 1.170 1.00 14.33 C ATOM 932 CZ3 TRP A 57 -9.489 0.505 2.640 1.00 23.15 C ATOM 933 CH2 TRP A 57 -10.049 0.665 1.371 1.00 62.25 C ATOM 0 H TRP A 57 -12.097 5.297 5.143 1.00 11.14 H new ATOM 0 HA TRP A 57 -11.085 3.982 7.463 1.00 43.44 H new ATOM 0 HB2 TRP A 57 -11.446 1.899 6.302 1.00 13.20 H new ATOM 0 HB3 TRP A 57 -12.858 2.937 6.341 1.00 13.20 H new ATOM 0 HD1 TRP A 57 -13.771 3.860 4.029 1.00 23.33 H new ATOM 0 HE1 TRP A 57 -13.389 3.151 1.588 1.00 32.51 H new ATOM 0 HE3 TRP A 57 -9.605 1.004 4.720 1.00 62.35 H new ATOM 0 HZ2 TRP A 57 -11.572 1.548 0.184 1.00 14.33 H new ATOM 0 HZ3 TRP A 57 -8.611 -0.112 2.762 1.00 23.15 H new ATOM 0 HH2 TRP A 57 -9.593 0.167 0.528 1.00 62.25 H new ATOM 944 N ILE A 58 -9.070 4.487 4.997 1.00 53.51 N ATOM 945 CA ILE A 58 -7.662 4.491 4.622 1.00 2.12 C ATOM 946 C ILE A 58 -6.838 5.161 5.717 1.00 3.52 C ATOM 947 O ILE A 58 -5.746 4.700 6.046 1.00 14.41 O ATOM 948 CB ILE A 58 -7.430 5.188 3.242 1.00 5.32 C ATOM 949 CG1 ILE A 58 -8.001 4.332 2.098 1.00 32.24 C ATOM 950 CG2 ILE A 58 -5.953 5.480 3.007 1.00 33.32 C ATOM 951 CD1 ILE A 58 -7.309 3.010 1.972 1.00 43.13 C ATOM 0 H ILE A 58 -9.663 5.054 4.391 1.00 53.51 H new ATOM 0 HA ILE A 58 -7.336 3.456 4.514 1.00 2.12 H new ATOM 0 HB ILE A 58 -7.959 6.141 3.260 1.00 5.32 H new ATOM 0 HG12 ILE A 58 -9.065 4.167 2.268 1.00 32.24 H new ATOM 0 HG13 ILE A 58 -7.909 4.878 1.159 1.00 32.24 H new ATOM 0 HG21 ILE A 58 -5.827 5.965 2.039 1.00 33.32 H new ATOM 0 HG22 ILE A 58 -5.583 6.138 3.793 1.00 33.32 H new ATOM 0 HG23 ILE A 58 -5.391 4.546 3.021 1.00 33.32 H new ATOM 0 HD11 ILE A 58 -7.750 2.445 1.150 1.00 43.13 H new ATOM 0 HD12 ILE A 58 -6.249 3.171 1.774 1.00 43.13 H new ATOM 0 HD13 ILE A 58 -7.423 2.450 2.900 1.00 43.13 H new ATOM 963 N GLN A 59 -7.397 6.236 6.292 1.00 2.11 N ATOM 964 CA GLN A 59 -6.776 6.951 7.403 1.00 0.34 C ATOM 965 C GLN A 59 -6.457 5.966 8.499 1.00 42.51 C ATOM 966 O GLN A 59 -5.335 5.880 8.965 1.00 31.20 O ATOM 967 CB GLN A 59 -7.736 8.015 7.967 1.00 23.45 C ATOM 968 CG GLN A 59 -8.156 9.092 6.985 1.00 73.34 C ATOM 969 CD GLN A 59 -7.020 9.984 6.567 1.00 65.45 C ATOM 970 OE1 GLN A 59 -6.780 11.010 7.194 1.00 13.35 O ATOM 971 NE2 GLN A 59 -6.315 9.610 5.528 1.00 62.50 N ATOM 0 H GLN A 59 -8.291 6.629 5.996 1.00 2.11 H new ATOM 0 HA GLN A 59 -5.871 7.440 7.044 1.00 0.34 H new ATOM 0 HB2 GLN A 59 -8.631 7.514 8.337 1.00 23.45 H new ATOM 0 HB3 GLN A 59 -7.261 8.492 8.824 1.00 23.45 H new ATOM 0 HG2 GLN A 59 -8.585 8.621 6.100 1.00 73.34 H new ATOM 0 HG3 GLN A 59 -8.941 9.700 7.435 1.00 73.34 H new ATOM 0 HE21 GLN A 59 -6.550 8.748 5.036 1.00 62.50 H new ATOM 0 HE22 GLN A 59 -5.531 10.181 5.211 1.00 62.50 H new ATOM 980 N GLU A 60 -7.455 5.196 8.846 1.00 4.23 N ATOM 981 CA GLU A 60 -7.353 4.199 9.870 1.00 13.53 C ATOM 982 C GLU A 60 -6.423 3.068 9.455 1.00 33.24 C ATOM 983 O GLU A 60 -5.596 2.627 10.235 1.00 4.03 O ATOM 984 CB GLU A 60 -8.729 3.634 10.150 1.00 70.52 C ATOM 985 CG GLU A 60 -9.741 4.653 10.624 1.00 63.41 C ATOM 986 CD GLU A 60 -9.316 5.340 11.885 1.00 31.53 C ATOM 987 OE1 GLU A 60 -9.397 4.713 12.965 1.00 70.12 O ATOM 988 OE2 GLU A 60 -8.932 6.514 11.826 1.00 4.11 O ATOM 0 H GLU A 60 -8.378 5.248 8.414 1.00 4.23 H new ATOM 0 HA GLU A 60 -6.942 4.668 10.764 1.00 13.53 H new ATOM 0 HB2 GLU A 60 -9.105 3.162 9.243 1.00 70.52 H new ATOM 0 HB3 GLU A 60 -8.640 2.851 10.903 1.00 70.52 H new ATOM 0 HG2 GLU A 60 -9.895 5.397 9.843 1.00 63.41 H new ATOM 0 HG3 GLU A 60 -10.699 4.160 10.788 1.00 63.41 H new ATOM 995 N TYR A 61 -6.565 2.623 8.216 1.00 2.11 N ATOM 996 CA TYR A 61 -5.819 1.492 7.700 1.00 11.13 C ATOM 997 C TYR A 61 -4.310 1.766 7.729 1.00 33.14 C ATOM 998 O TYR A 61 -3.520 0.914 8.145 1.00 70.41 O ATOM 999 CB TYR A 61 -6.278 1.157 6.277 1.00 45.14 C ATOM 1000 CG TYR A 61 -5.791 -0.182 5.770 1.00 54.14 C ATOM 1001 CD1 TYR A 61 -4.547 -0.321 5.170 1.00 43.24 C ATOM 1002 CD2 TYR A 61 -6.591 -1.310 5.898 1.00 51.52 C ATOM 1003 CE1 TYR A 61 -4.114 -1.546 4.712 1.00 71.22 C ATOM 1004 CE2 TYR A 61 -6.169 -2.540 5.443 1.00 13.35 C ATOM 1005 CZ TYR A 61 -4.922 -2.651 4.847 1.00 61.31 C ATOM 1006 OH TYR A 61 -4.488 -3.867 4.388 1.00 23.44 O ATOM 0 H TYR A 61 -7.204 3.040 7.539 1.00 2.11 H new ATOM 0 HA TYR A 61 -6.016 0.634 8.342 1.00 11.13 H new ATOM 0 HB2 TYR A 61 -7.367 1.171 6.245 1.00 45.14 H new ATOM 0 HB3 TYR A 61 -5.930 1.938 5.601 1.00 45.14 H new ATOM 0 HD1 TYR A 61 -3.909 0.544 5.061 1.00 43.24 H new ATOM 0 HD2 TYR A 61 -7.562 -1.221 6.363 1.00 51.52 H new ATOM 0 HE1 TYR A 61 -3.143 -1.638 4.248 1.00 71.22 H new ATOM 0 HE2 TYR A 61 -6.802 -3.408 5.549 1.00 13.35 H new ATOM 0 HH TYR A 61 -3.837 -4.241 5.018 1.00 23.44 H new ATOM 1016 N LEU A 62 -3.916 2.945 7.305 1.00 42.25 N ATOM 1017 CA LEU A 62 -2.511 3.298 7.309 1.00 12.54 C ATOM 1018 C LEU A 62 -2.037 3.457 8.736 1.00 34.31 C ATOM 1019 O LEU A 62 -1.010 2.913 9.111 1.00 13.02 O ATOM 1020 CB LEU A 62 -2.263 4.562 6.506 1.00 10.52 C ATOM 1021 CG LEU A 62 -2.715 4.523 5.042 1.00 64.51 C ATOM 1022 CD1 LEU A 62 -2.381 5.823 4.335 1.00 11.51 C ATOM 1023 CD2 LEU A 62 -2.117 3.335 4.300 1.00 63.22 C ATOM 0 H LEU A 62 -4.541 3.672 6.955 1.00 42.25 H new ATOM 0 HA LEU A 62 -1.943 2.498 6.834 1.00 12.54 H new ATOM 0 HB2 LEU A 62 -2.771 5.390 7.001 1.00 10.52 H new ATOM 0 HB3 LEU A 62 -1.196 4.782 6.531 1.00 10.52 H new ATOM 0 HG LEU A 62 -3.798 4.401 5.040 1.00 64.51 H new ATOM 0 HD11 LEU A 62 -2.712 5.769 3.298 1.00 11.51 H new ATOM 0 HD12 LEU A 62 -2.887 6.649 4.835 1.00 11.51 H new ATOM 0 HD13 LEU A 62 -1.304 5.986 4.364 1.00 11.51 H new ATOM 0 HD21 LEU A 62 -2.461 3.342 3.266 1.00 63.22 H new ATOM 0 HD22 LEU A 62 -1.029 3.403 4.322 1.00 63.22 H new ATOM 0 HD23 LEU A 62 -2.433 2.409 4.781 1.00 63.22 H new ATOM 1035 N GLU A 63 -2.814 4.190 9.531 1.00 44.15 N ATOM 1036 CA GLU A 63 -2.546 4.342 10.973 1.00 74.24 C ATOM 1037 C GLU A 63 -2.393 2.989 11.714 1.00 51.30 C ATOM 1038 O GLU A 63 -1.539 2.865 12.587 1.00 43.10 O ATOM 1039 CB GLU A 63 -3.630 5.193 11.641 1.00 5.22 C ATOM 1040 CG GLU A 63 -3.536 6.680 11.332 1.00 53.05 C ATOM 1041 CD GLU A 63 -2.355 7.321 12.000 1.00 61.35 C ATOM 1042 OE1 GLU A 63 -2.445 7.612 13.221 1.00 31.22 O ATOM 1043 OE2 GLU A 63 -1.332 7.555 11.350 1.00 22.12 O ATOM 0 H GLU A 63 -3.640 4.693 9.206 1.00 44.15 H new ATOM 0 HA GLU A 63 -1.586 4.852 11.050 1.00 74.24 H new ATOM 0 HB2 GLU A 63 -4.608 4.829 11.325 1.00 5.22 H new ATOM 0 HB3 GLU A 63 -3.572 5.053 12.720 1.00 5.22 H new ATOM 0 HG2 GLU A 63 -3.463 6.822 10.254 1.00 53.05 H new ATOM 0 HG3 GLU A 63 -4.450 7.176 11.658 1.00 53.05 H new ATOM 1050 N LYS A 64 -3.200 1.986 11.372 1.00 51.14 N ATOM 1051 CA LYS A 64 -3.093 0.694 12.036 1.00 3.11 C ATOM 1052 C LYS A 64 -1.861 -0.102 11.617 1.00 1.01 C ATOM 1053 O LYS A 64 -1.189 -0.673 12.452 1.00 60.41 O ATOM 1054 CB LYS A 64 -4.427 -0.123 12.022 1.00 74.31 C ATOM 1055 CG LYS A 64 -5.075 -0.443 10.654 1.00 24.32 C ATOM 1056 CD LYS A 64 -4.355 -1.507 9.831 1.00 12.51 C ATOM 1057 CE LYS A 64 -4.408 -2.870 10.480 1.00 20.23 C ATOM 1058 NZ LYS A 64 -5.800 -3.377 10.633 1.00 74.05 N ATOM 0 H LYS A 64 -3.921 2.043 10.653 1.00 51.14 H new ATOM 0 HA LYS A 64 -2.924 0.918 13.089 1.00 3.11 H new ATOM 0 HB2 LYS A 64 -4.244 -1.068 12.533 1.00 74.31 H new ATOM 0 HB3 LYS A 64 -5.158 0.424 12.617 1.00 74.31 H new ATOM 0 HG2 LYS A 64 -6.101 -0.769 10.823 1.00 24.32 H new ATOM 0 HG3 LYS A 64 -5.124 0.475 10.069 1.00 24.32 H new ATOM 0 HD2 LYS A 64 -4.805 -1.562 8.840 1.00 12.51 H new ATOM 0 HD3 LYS A 64 -3.314 -1.213 9.693 1.00 12.51 H new ATOM 0 HE2 LYS A 64 -3.832 -3.576 9.882 1.00 20.23 H new ATOM 0 HE3 LYS A 64 -3.933 -2.821 11.460 1.00 20.23 H new ATOM 0 HZ1 LYS A 64 -5.777 -4.388 10.874 1.00 74.05 H new ATOM 0 HZ2 LYS A 64 -6.279 -2.852 11.392 1.00 74.05 H new ATOM 0 HZ3 LYS A 64 -6.317 -3.246 9.740 1.00 74.05 H new ATOM 1072 N CYS A 65 -1.552 -0.109 10.339 1.00 32.10 N ATOM 1073 CA CYS A 65 -0.347 -0.807 9.860 1.00 33.11 C ATOM 1074 C CYS A 65 0.926 -0.057 10.207 1.00 73.03 C ATOM 1075 O CYS A 65 2.003 -0.635 10.182 1.00 34.03 O ATOM 1076 CB CYS A 65 -0.388 -1.088 8.347 1.00 65.11 C ATOM 1077 SG CYS A 65 -1.594 -2.357 7.824 1.00 54.02 S ATOM 0 H CYS A 65 -2.100 0.349 9.611 1.00 32.10 H new ATOM 0 HA CYS A 65 -0.340 -1.764 10.382 1.00 33.11 H new ATOM 0 HB2 CYS A 65 -0.615 -0.157 7.827 1.00 65.11 H new ATOM 0 HB3 CYS A 65 0.606 -1.399 8.024 1.00 65.11 H new ATOM 1082 N LEU A 66 0.776 1.223 10.533 1.00 42.43 N ATOM 1083 CA LEU A 66 1.869 2.100 10.855 1.00 72.14 C ATOM 1084 C LEU A 66 2.695 1.506 12.004 1.00 42.05 C ATOM 1085 O LEU A 66 3.886 1.298 11.863 1.00 73.34 O ATOM 1086 CB LEU A 66 1.288 3.496 11.225 1.00 14.52 C ATOM 1087 CG LEU A 66 2.213 4.731 11.170 1.00 61.21 C ATOM 1088 CD1 LEU A 66 3.352 4.661 12.143 1.00 53.42 C ATOM 1089 CD2 LEU A 66 2.729 4.939 9.773 1.00 23.20 C ATOM 0 H LEU A 66 -0.135 1.679 10.578 1.00 42.43 H new ATOM 0 HA LEU A 66 2.536 2.212 10.000 1.00 72.14 H new ATOM 0 HB2 LEU A 66 0.444 3.687 10.562 1.00 14.52 H new ATOM 0 HB3 LEU A 66 0.889 3.429 12.237 1.00 14.52 H new ATOM 0 HG LEU A 66 1.605 5.586 11.465 1.00 61.21 H new ATOM 0 HD11 LEU A 66 3.963 5.559 12.053 1.00 53.42 H new ATOM 0 HD12 LEU A 66 2.960 4.589 13.158 1.00 53.42 H new ATOM 0 HD13 LEU A 66 3.962 3.784 11.927 1.00 53.42 H new ATOM 0 HD21 LEU A 66 3.379 5.813 9.752 1.00 23.20 H new ATOM 0 HD22 LEU A 66 3.292 4.060 9.459 1.00 23.20 H new ATOM 0 HD23 LEU A 66 1.890 5.094 9.095 1.00 23.20 H new ATOM 1101 N ASN A 67 2.068 1.212 13.128 1.00 71.54 N ATOM 1102 CA ASN A 67 2.850 0.666 14.221 1.00 44.22 C ATOM 1103 C ASN A 67 2.220 -0.565 14.857 1.00 23.11 C ATOM 1104 O ASN A 67 2.913 -1.355 15.501 1.00 32.14 O ATOM 1105 CB ASN A 67 3.204 1.746 15.256 1.00 60.53 C ATOM 1106 CG ASN A 67 4.175 1.254 16.323 1.00 4.12 C ATOM 1107 OD1 ASN A 67 3.780 0.786 17.381 1.00 1.44 O ATOM 1108 ND2 ASN A 67 5.458 1.356 16.041 1.00 31.43 N ATOM 0 H ASN A 67 1.071 1.334 13.305 1.00 71.54 H new ATOM 0 HA ASN A 67 3.785 0.316 13.784 1.00 44.22 H new ATOM 0 HB2 ASN A 67 3.640 2.603 14.743 1.00 60.53 H new ATOM 0 HB3 ASN A 67 2.290 2.094 15.737 1.00 60.53 H new ATOM 0 HD21 ASN A 67 6.155 1.039 16.715 1.00 31.43 H new ATOM 0 HD22 ASN A 67 5.754 1.751 15.149 1.00 31.43 H new ATOM 1404 N GLY B 119 -14.604 6.907 -11.360 1.00 41.22 N ATOM 1405 CA GLY B 119 -14.854 7.231 -9.981 1.00 64.12 C ATOM 1406 C GLY B 119 -16.193 6.752 -9.530 1.00 64.04 C ATOM 1407 O GLY B 119 -17.224 7.114 -10.109 1.00 24.23 O ATOM 0 HA2 GLY B 119 -14.080 6.784 -9.357 1.00 64.12 H new ATOM 0 HA3 GLY B 119 -14.790 8.311 -9.844 1.00 64.12 H new ATOM 1411 N ASP B 120 -16.193 5.944 -8.522 1.00 75.14 N ATOM 1412 CA ASP B 120 -17.405 5.366 -8.011 1.00 62.41 C ATOM 1413 C ASP B 120 -17.283 5.244 -6.504 1.00 0.31 C ATOM 1414 O ASP B 120 -16.247 5.595 -5.958 1.00 4.14 O ATOM 1415 CB ASP B 120 -17.592 4.021 -8.683 1.00 73.35 C ATOM 1416 CG ASP B 120 -18.874 3.305 -8.344 1.00 33.42 C ATOM 1417 OD1 ASP B 120 -19.962 3.794 -8.703 1.00 74.30 O ATOM 1418 OD2 ASP B 120 -18.818 2.239 -7.726 1.00 12.04 O ATOM 0 H ASP B 120 -15.350 5.660 -8.022 1.00 75.14 H new ATOM 0 HA ASP B 120 -18.278 5.983 -8.223 1.00 62.41 H new ATOM 0 HB2 ASP B 120 -17.549 4.164 -9.763 1.00 73.35 H new ATOM 0 HB3 ASP B 120 -16.754 3.379 -8.413 1.00 73.35 H new ATOM 1447 N ASP B 122 -19.057 6.998 -4.059 1.00 61.12 N ATOM 1448 CA ASP B 122 -18.992 8.434 -3.636 1.00 41.32 C ATOM 1449 C ASP B 122 -17.964 9.142 -4.439 1.00 14.13 C ATOM 1450 O ASP B 122 -18.276 10.042 -5.226 1.00 4.02 O ATOM 1451 CB ASP B 122 -18.651 8.559 -2.184 1.00 30.11 C ATOM 1452 CG ASP B 122 -18.696 9.984 -1.683 1.00 53.12 C ATOM 1453 OD1 ASP B 122 -17.665 10.674 -1.744 1.00 20.35 O ATOM 1454 OD2 ASP B 122 -19.756 10.422 -1.203 1.00 11.33 O ATOM 0 HA ASP B 122 -19.973 8.879 -3.800 1.00 41.32 H new ATOM 0 HB2 ASP B 122 -19.345 7.954 -1.601 1.00 30.11 H new ATOM 0 HB3 ASP B 122 -17.654 8.153 -2.015 1.00 30.11 H new ATOM 1459 N SER B 123 -16.730 8.750 -4.205 1.00 42.11 N ATOM 1460 CA SER B 123 -15.632 9.114 -4.995 1.00 65.41 C ATOM 1461 C SER B 123 -15.211 10.614 -4.884 1.00 61.31 C ATOM 1462 O SER B 123 -14.374 11.089 -5.656 1.00 62.11 O ATOM 1463 CB SER B 123 -15.949 8.621 -6.420 1.00 74.04 C ATOM 1464 OG SER B 123 -14.969 8.965 -7.380 1.00 25.32 O ATOM 0 H SER B 123 -16.482 8.146 -3.422 1.00 42.11 H new ATOM 0 HA SER B 123 -14.724 8.634 -4.630 1.00 65.41 H new ATOM 0 HB2 SER B 123 -16.060 7.537 -6.402 1.00 74.04 H new ATOM 0 HB3 SER B 123 -16.908 9.034 -6.731 1.00 74.04 H new ATOM 0 HG SER B 123 -14.077 8.799 -7.010 1.00 25.32 H new ATOM 1470 N MET B 124 -15.737 11.351 -3.901 1.00 33.31 N ATOM 1471 CA MET B 124 -15.338 12.755 -3.747 1.00 51.41 C ATOM 1472 C MET B 124 -15.211 13.158 -2.276 1.00 54.03 C ATOM 1473 O MET B 124 -16.110 13.805 -1.723 1.00 2.14 O ATOM 1474 CB MET B 124 -16.293 13.727 -4.489 1.00 71.12 C ATOM 1475 CG MET B 124 -16.385 13.511 -5.991 1.00 42.30 C ATOM 1476 SD MET B 124 -17.516 14.652 -6.811 1.00 3.22 S ATOM 1477 CE MET B 124 -17.385 14.080 -8.508 1.00 3.21 C ATOM 0 H MET B 124 -16.418 11.015 -3.220 1.00 33.31 H new ATOM 0 HA MET B 124 -14.354 12.837 -4.209 1.00 51.41 H new ATOM 0 HB2 MET B 124 -17.291 13.630 -4.061 1.00 71.12 H new ATOM 0 HB3 MET B 124 -15.964 14.749 -4.303 1.00 71.12 H new ATOM 0 HG2 MET B 124 -15.392 13.619 -6.428 1.00 42.30 H new ATOM 0 HG3 MET B 124 -16.709 12.488 -6.184 1.00 42.30 H new ATOM 0 HE1 MET B 124 -18.028 14.686 -9.147 1.00 3.21 H new ATOM 0 HE2 MET B 124 -16.352 14.169 -8.843 1.00 3.21 H new ATOM 0 HE3 MET B 124 -17.696 13.037 -8.565 1.00 3.21 H new ATOM 1487 N LYS B 125 -14.120 12.746 -1.626 1.00 1.31 N ATOM 1488 CA LYS B 125 -13.883 13.067 -0.221 1.00 44.23 C ATOM 1489 C LYS B 125 -12.425 13.448 0.049 1.00 34.13 C ATOM 1490 O LYS B 125 -11.600 13.473 -0.871 1.00 42.55 O ATOM 1491 CB LYS B 125 -14.324 11.902 0.684 1.00 22.40 C ATOM 1492 CG LYS B 125 -15.789 11.660 0.694 1.00 4.11 C ATOM 1493 CD LYS B 125 -16.510 12.821 1.311 1.00 72.32 C ATOM 1494 CE LYS B 125 -17.966 12.624 1.211 1.00 44.42 C ATOM 1495 NZ LYS B 125 -18.457 12.717 -0.184 1.00 4.45 N ATOM 0 H LYS B 125 -13.384 12.186 -2.056 1.00 1.31 H new ATOM 0 HA LYS B 125 -14.488 13.942 0.017 1.00 44.23 H new ATOM 0 HB2 LYS B 125 -13.819 10.993 0.358 1.00 22.40 H new ATOM 0 HB3 LYS B 125 -13.993 12.103 1.703 1.00 22.40 H new ATOM 0 HG2 LYS B 125 -16.144 11.504 -0.324 1.00 4.11 H new ATOM 0 HG3 LYS B 125 -16.009 10.750 1.252 1.00 4.11 H new ATOM 0 HD2 LYS B 125 -16.220 12.925 2.357 1.00 72.32 H new ATOM 0 HD3 LYS B 125 -16.225 13.745 0.808 1.00 72.32 H new ATOM 0 HE2 LYS B 125 -18.226 11.648 1.620 1.00 44.42 H new ATOM 0 HE3 LYS B 125 -18.473 13.371 1.822 1.00 44.42 H new ATOM 0 HZ1 LYS B 125 -19.438 12.375 -0.230 1.00 4.45 H new ATOM 0 HZ2 LYS B 125 -18.421 13.707 -0.499 1.00 4.45 H new ATOM 0 HZ3 LYS B 125 -17.857 12.134 -0.803 1.00 4.45 H new ATOM 1509 N GLU B 126 -12.141 13.770 1.304 1.00 43.34 N ATOM 1510 CA GLU B 126 -10.821 14.179 1.780 1.00 11.22 C ATOM 1511 C GLU B 126 -10.722 13.742 3.270 1.00 31.40 C ATOM 1512 O GLU B 126 -11.729 13.253 3.783 1.00 33.25 O ATOM 1513 CB GLU B 126 -10.685 15.700 1.623 1.00 14.43 C ATOM 1514 CG GLU B 126 -11.712 16.486 2.402 1.00 75.44 C ATOM 1515 CD GLU B 126 -11.511 17.957 2.284 1.00 13.11 C ATOM 1516 OE1 GLU B 126 -10.780 18.527 3.118 1.00 15.00 O ATOM 1517 OE2 GLU B 126 -12.094 18.574 1.369 1.00 22.43 O ATOM 0 H GLU B 126 -12.843 13.754 2.044 1.00 43.34 H new ATOM 0 HA GLU B 126 -10.014 13.717 1.211 1.00 11.22 H new ATOM 0 HB2 GLU B 126 -9.689 16.002 1.946 1.00 14.43 H new ATOM 0 HB3 GLU B 126 -10.769 15.956 0.567 1.00 14.43 H new ATOM 0 HG2 GLU B 126 -12.709 16.229 2.045 1.00 75.44 H new ATOM 0 HG3 GLU B 126 -11.665 16.199 3.452 1.00 75.44 H new ATOM 1524 N PRO B 127 -9.536 13.921 3.994 1.00 50.24 N ATOM 1525 CA PRO B 127 -9.338 13.427 5.381 1.00 3.00 C ATOM 1526 C PRO B 127 -10.530 13.617 6.298 1.00 74.31 C ATOM 1527 O PRO B 127 -11.010 14.738 6.512 1.00 55.24 O ATOM 1528 CB PRO B 127 -8.161 14.243 5.881 1.00 71.32 C ATOM 1529 CG PRO B 127 -7.349 14.461 4.673 1.00 11.33 C ATOM 1530 CD PRO B 127 -8.320 14.623 3.534 1.00 24.23 C ATOM 0 HA PRO B 127 -9.182 12.348 5.380 1.00 3.00 H new ATOM 0 HB2 PRO B 127 -8.486 15.186 6.321 1.00 71.32 H new ATOM 0 HB3 PRO B 127 -7.601 13.709 6.649 1.00 71.32 H new ATOM 0 HG2 PRO B 127 -6.724 15.347 4.780 1.00 11.33 H new ATOM 0 HG3 PRO B 127 -6.680 13.618 4.497 1.00 11.33 H new ATOM 0 HD2 PRO B 127 -8.521 15.674 3.328 1.00 24.23 H new ATOM 0 HD3 PRO B 127 -7.932 14.186 2.614 1.00 24.23 H new ATOM 1855 N CYS C 209 -0.066 -15.466 5.248 1.00 44.34 N ATOM 1856 CA CYS C 209 0.750 -14.312 5.149 1.00 35.31 C ATOM 1857 C CYS C 209 1.662 -14.533 3.946 1.00 34.22 C ATOM 1858 O CYS C 209 2.211 -15.637 3.784 1.00 61.10 O ATOM 1859 CB CYS C 209 1.566 -14.162 6.434 1.00 52.33 C ATOM 1860 SG CYS C 209 2.576 -12.669 6.548 1.00 3.34 S ATOM 0 HA CYS C 209 0.163 -13.402 5.021 1.00 35.31 H new ATOM 0 HB2 CYS C 209 0.881 -14.181 7.282 1.00 52.33 H new ATOM 0 HB3 CYS C 209 2.219 -15.029 6.532 1.00 52.33 H new ATOM 1865 N PRO C 210 1.809 -13.532 3.062 1.00 73.01 N ATOM 1866 CA PRO C 210 2.628 -13.670 1.879 1.00 22.43 C ATOM 1867 C PRO C 210 4.119 -13.715 2.230 1.00 40.13 C ATOM 1868 O PRO C 210 4.777 -14.721 2.028 1.00 43.21 O ATOM 1869 CB PRO C 210 2.242 -12.432 1.026 1.00 14.03 C ATOM 1870 CG PRO C 210 1.769 -11.428 2.013 1.00 21.33 C ATOM 1871 CD PRO C 210 1.182 -12.204 3.156 1.00 10.23 C ATOM 0 HA PRO C 210 2.458 -14.603 1.341 1.00 22.43 H new ATOM 0 HB2 PRO C 210 3.096 -12.059 0.460 1.00 14.03 H new ATOM 0 HB3 PRO C 210 1.462 -12.676 0.304 1.00 14.03 H new ATOM 0 HG2 PRO C 210 2.592 -10.799 2.352 1.00 21.33 H new ATOM 0 HG3 PRO C 210 1.025 -10.767 1.569 1.00 21.33 H new ATOM 0 HD2 PRO C 210 1.401 -11.729 4.112 1.00 10.23 H new ATOM 0 HD3 PRO C 210 0.097 -12.271 3.074 1.00 10.23 H new ATOM 1879 N CYS C 211 4.632 -12.631 2.748 1.00 61.40 N ATOM 1880 CA CYS C 211 6.010 -12.558 3.157 1.00 3.24 C ATOM 1881 C CYS C 211 6.144 -12.716 4.663 1.00 5.43 C ATOM 1882 O CYS C 211 5.607 -11.913 5.410 1.00 34.31 O ATOM 1883 CB CYS C 211 6.590 -11.226 2.742 1.00 11.23 C ATOM 1884 SG CYS C 211 6.439 -10.879 0.971 1.00 51.10 S ATOM 0 H CYS C 211 4.105 -11.771 2.899 1.00 61.40 H new ATOM 0 HA CYS C 211 6.553 -13.371 2.674 1.00 3.24 H new ATOM 0 HB2 CYS C 211 6.092 -10.434 3.301 1.00 11.23 H new ATOM 0 HB3 CYS C 211 7.644 -11.198 3.019 1.00 11.23 H new ATOM 1889 N ARG C 212 6.832 -13.741 5.114 1.00 54.14 N ATOM 1890 CA ARG C 212 7.122 -13.851 6.540 1.00 54.44 C ATOM 1891 C ARG C 212 8.556 -13.346 6.795 1.00 1.22 C ATOM 1892 O ARG C 212 9.033 -13.241 7.932 1.00 43.25 O ATOM 1893 CB ARG C 212 6.877 -15.284 7.057 1.00 13.40 C ATOM 1894 CG ARG C 212 7.137 -15.484 8.550 1.00 72.12 C ATOM 1895 CD ARG C 212 6.671 -16.849 9.021 1.00 44.34 C ATOM 1896 NE ARG C 212 5.203 -16.980 8.949 1.00 54.44 N ATOM 1897 CZ ARG C 212 4.535 -18.136 8.866 1.00 52.25 C ATOM 1898 NH1 ARG C 212 5.196 -19.287 8.817 1.00 34.23 N ATOM 1899 NH2 ARG C 212 3.200 -18.137 8.840 1.00 3.32 N ATOM 0 H ARG C 212 7.197 -14.498 4.536 1.00 54.14 H new ATOM 0 HA ARG C 212 6.437 -13.223 7.110 1.00 54.44 H new ATOM 0 HB2 ARG C 212 5.844 -15.560 6.843 1.00 13.40 H new ATOM 0 HB3 ARG C 212 7.513 -15.970 6.497 1.00 13.40 H new ATOM 0 HG2 ARG C 212 8.202 -15.373 8.752 1.00 72.12 H new ATOM 0 HG3 ARG C 212 6.622 -14.708 9.117 1.00 72.12 H new ATOM 0 HD2 ARG C 212 7.136 -17.623 8.410 1.00 44.34 H new ATOM 0 HD3 ARG C 212 7.001 -17.012 10.047 1.00 44.34 H new ATOM 0 HE ARG C 212 4.654 -16.121 8.964 1.00 54.44 H new ATOM 0 HH11 ARG C 212 6.216 -19.291 8.843 1.00 34.23 H new ATOM 0 HH12 ARG C 212 4.684 -20.167 8.754 1.00 34.23 H new ATOM 0 HH21 ARG C 212 2.688 -17.256 8.883 1.00 3.32 H new ATOM 0 HH22 ARG C 212 2.692 -19.019 8.777 1.00 3.32 H new ATOM 1913 N PHE C 213 9.216 -13.010 5.711 1.00 24.35 N ATOM 1914 CA PHE C 213 10.533 -12.438 5.733 1.00 41.44 C ATOM 1915 C PHE C 213 10.442 -11.071 5.093 1.00 31.20 C ATOM 1916 O PHE C 213 9.804 -10.922 4.054 1.00 63.53 O ATOM 1917 CB PHE C 213 11.529 -13.332 4.985 1.00 13.14 C ATOM 1918 CG PHE C 213 11.696 -14.700 5.596 1.00 64.24 C ATOM 1919 CD1 PHE C 213 12.624 -14.914 6.599 1.00 15.12 C ATOM 1920 CD2 PHE C 213 10.921 -15.769 5.169 1.00 11.14 C ATOM 1921 CE1 PHE C 213 12.781 -16.162 7.167 1.00 60.31 C ATOM 1922 CE2 PHE C 213 11.071 -17.020 5.731 1.00 74.22 C ATOM 1923 CZ PHE C 213 12.002 -17.218 6.733 1.00 41.44 C ATOM 0 H PHE C 213 8.840 -13.131 4.771 1.00 24.35 H new ATOM 0 HA PHE C 213 10.895 -12.352 6.757 1.00 41.44 H new ATOM 0 HB2 PHE C 213 11.199 -13.443 3.952 1.00 13.14 H new ATOM 0 HB3 PHE C 213 12.499 -12.836 4.958 1.00 13.14 H new ATOM 0 HD1 PHE C 213 13.235 -14.092 6.943 1.00 15.12 H new ATOM 0 HD2 PHE C 213 10.191 -15.620 4.387 1.00 11.14 H new ATOM 0 HE1 PHE C 213 13.511 -16.313 7.949 1.00 60.31 H new ATOM 0 HE2 PHE C 213 10.462 -17.843 5.388 1.00 74.22 H new ATOM 0 HZ PHE C 213 12.121 -18.196 7.176 1.00 41.44 H new ATOM 1933 N PHE C 214 11.020 -10.085 5.728 1.00 75.25 N ATOM 1934 CA PHE C 214 10.911 -8.717 5.267 1.00 74.12 C ATOM 1935 C PHE C 214 12.240 -7.960 5.285 1.00 42.40 C ATOM 1936 O PHE C 214 13.116 -8.246 6.089 1.00 5.44 O ATOM 1937 CB PHE C 214 9.821 -7.971 6.071 1.00 32.32 C ATOM 1938 CG PHE C 214 9.928 -8.148 7.568 1.00 42.23 C ATOM 1939 CD1 PHE C 214 10.829 -7.412 8.319 1.00 53.14 C ATOM 1940 CD2 PHE C 214 9.124 -9.074 8.220 1.00 73.21 C ATOM 1941 CE1 PHE C 214 10.924 -7.597 9.684 1.00 53.33 C ATOM 1942 CE2 PHE C 214 9.217 -9.261 9.581 1.00 52.32 C ATOM 1943 CZ PHE C 214 10.118 -8.522 10.314 1.00 13.34 C ATOM 0 H PHE C 214 11.577 -10.201 6.574 1.00 75.25 H new ATOM 0 HA PHE C 214 10.616 -8.757 4.218 1.00 74.12 H new ATOM 0 HB2 PHE C 214 9.876 -6.908 5.837 1.00 32.32 H new ATOM 0 HB3 PHE C 214 8.841 -8.319 5.744 1.00 32.32 H new ATOM 0 HD1 PHE C 214 11.464 -6.686 7.832 1.00 53.14 H new ATOM 0 HD2 PHE C 214 8.415 -9.656 7.651 1.00 73.21 H new ATOM 0 HE1 PHE C 214 11.630 -7.017 10.259 1.00 53.33 H new ATOM 0 HE2 PHE C 214 8.585 -9.986 10.072 1.00 52.32 H new ATOM 0 HZ PHE C 214 10.194 -8.666 11.382 1.00 13.34 H new ATOM 1953 N GLU C 215 12.359 -7.021 4.380 1.00 24.20 N ATOM 1954 CA GLU C 215 13.471 -6.113 4.248 1.00 22.41 C ATOM 1955 C GLU C 215 13.246 -4.929 5.186 1.00 52.21 C ATOM 1956 O GLU C 215 12.096 -4.609 5.530 1.00 31.34 O ATOM 1957 CB GLU C 215 13.525 -5.584 2.795 1.00 32.33 C ATOM 1958 CG GLU C 215 14.127 -6.508 1.723 1.00 44.30 C ATOM 1959 CD GLU C 215 13.603 -7.943 1.679 1.00 10.03 C ATOM 1960 OE1 GLU C 215 12.423 -8.164 1.360 1.00 12.12 O ATOM 1961 OE2 GLU C 215 14.408 -8.879 1.898 1.00 74.45 O ATOM 0 H GLU C 215 11.640 -6.861 3.674 1.00 24.20 H new ATOM 0 HA GLU C 215 14.401 -6.626 4.494 1.00 22.41 H new ATOM 0 HB2 GLU C 215 12.509 -5.334 2.491 1.00 32.33 H new ATOM 0 HB3 GLU C 215 14.095 -4.655 2.797 1.00 32.33 H new ATOM 0 HG2 GLU C 215 13.956 -6.053 0.747 1.00 44.30 H new ATOM 0 HG3 GLU C 215 15.206 -6.545 1.873 1.00 44.30 H new ATOM 1968 N SER C 216 14.310 -4.290 5.633 1.00 44.52 N ATOM 1969 CA SER C 216 14.151 -3.110 6.478 1.00 1.43 C ATOM 1970 C SER C 216 15.172 -1.997 6.157 1.00 43.14 C ATOM 1971 O SER C 216 15.225 -0.980 6.823 1.00 31.25 O ATOM 1972 CB SER C 216 14.135 -3.476 7.954 1.00 24.24 C ATOM 1973 OG SER C 216 13.113 -4.424 8.220 1.00 0.25 O ATOM 0 H SER C 216 15.275 -4.555 5.434 1.00 44.52 H new ATOM 0 HA SER C 216 13.174 -2.688 6.241 1.00 1.43 H new ATOM 0 HB2 SER C 216 15.103 -3.885 8.244 1.00 24.24 H new ATOM 0 HB3 SER C 216 13.974 -2.581 8.555 1.00 24.24 H new ATOM 0 HG SER C 216 13.117 -4.650 9.174 1.00 0.25 H new ATOM 1979 N HIS C 217 15.972 -2.216 5.145 1.00 43.25 N ATOM 1980 CA HIS C 217 16.852 -1.196 4.590 1.00 43.41 C ATOM 1981 C HIS C 217 16.777 -1.251 3.119 1.00 73.23 C ATOM 1982 O HIS C 217 17.549 -1.923 2.473 1.00 43.44 O ATOM 1983 CB HIS C 217 18.316 -1.293 5.018 1.00 74.22 C ATOM 1984 CG HIS C 217 18.664 -0.690 6.334 1.00 61.35 C ATOM 1985 ND1 HIS C 217 19.485 0.403 6.442 1.00 32.30 N ATOM 1986 CD2 HIS C 217 18.385 -1.064 7.591 1.00 32.31 C ATOM 1987 CE1 HIS C 217 19.696 0.669 7.697 1.00 3.34 C ATOM 1988 NE2 HIS C 217 19.044 -0.204 8.426 1.00 62.03 N ATOM 0 H HIS C 217 16.038 -3.117 4.671 1.00 43.25 H new ATOM 0 HA HIS C 217 16.493 -0.247 4.989 1.00 43.41 H new ATOM 0 HB2 HIS C 217 18.596 -2.346 5.040 1.00 74.22 H new ATOM 0 HB3 HIS C 217 18.928 -0.817 4.252 1.00 74.22 H new ATOM 0 HD1 HIS C 217 19.871 0.928 5.657 1.00 32.30 H new ATOM 0 HD2 HIS C 217 17.757 -1.890 7.889 1.00 32.31 H new ATOM 0 HE1 HIS C 217 20.307 1.475 8.076 1.00 3.34 H new ATOM 1997 N VAL C 218 15.823 -0.604 2.606 1.00 43.43 N ATOM 1998 CA VAL C 218 15.598 -0.578 1.214 1.00 24.43 C ATOM 1999 C VAL C 218 15.168 0.831 0.866 1.00 12.52 C ATOM 2000 O VAL C 218 14.541 1.501 1.684 1.00 32.32 O ATOM 2001 CB VAL C 218 14.555 -1.681 0.794 1.00 25.32 C ATOM 2002 CG1 VAL C 218 13.235 -1.548 1.530 1.00 13.54 C ATOM 2003 CG2 VAL C 218 14.347 -1.734 -0.711 1.00 22.35 C ATOM 0 H VAL C 218 15.152 -0.059 3.148 1.00 43.43 H new ATOM 0 HA VAL C 218 16.500 -0.821 0.652 1.00 24.43 H new ATOM 0 HB VAL C 218 14.991 -2.634 1.095 1.00 25.32 H new ATOM 0 HG11 VAL C 218 12.554 -2.333 1.201 1.00 13.54 H new ATOM 0 HG12 VAL C 218 13.405 -1.641 2.603 1.00 13.54 H new ATOM 0 HG13 VAL C 218 12.795 -0.574 1.316 1.00 13.54 H new ATOM 0 HG21 VAL C 218 13.620 -2.510 -0.951 1.00 22.35 H new ATOM 0 HG22 VAL C 218 13.978 -0.770 -1.062 1.00 22.35 H new ATOM 0 HG23 VAL C 218 15.294 -1.961 -1.201 1.00 22.35 H new ATOM 2013 N ALA C 219 15.555 1.301 -0.274 1.00 52.20 N ATOM 2014 CA ALA C 219 15.290 2.654 -0.651 1.00 32.44 C ATOM 2015 C ALA C 219 13.904 2.784 -1.223 1.00 74.30 C ATOM 2016 O ALA C 219 13.491 1.972 -2.048 1.00 65.25 O ATOM 2017 CB ALA C 219 16.337 3.136 -1.643 1.00 42.32 C ATOM 0 H ALA C 219 16.064 0.759 -0.972 1.00 52.20 H new ATOM 0 HA ALA C 219 15.344 3.282 0.238 1.00 32.44 H new ATOM 0 HB1 ALA C 219 16.125 4.168 -1.923 1.00 42.32 H new ATOM 0 HB2 ALA C 219 17.325 3.080 -1.186 1.00 42.32 H new ATOM 0 HB3 ALA C 219 16.313 2.506 -2.532 1.00 42.32 H new ATOM 2023 N ARG C 220 13.183 3.799 -0.793 1.00 63.13 N ATOM 2024 CA ARG C 220 11.849 4.043 -1.302 1.00 3.54 C ATOM 2025 C ARG C 220 11.888 4.495 -2.751 1.00 0.20 C ATOM 2026 O ARG C 220 10.913 4.411 -3.468 1.00 3.03 O ATOM 2027 CB ARG C 220 11.027 4.981 -0.375 1.00 11.41 C ATOM 2028 CG ARG C 220 11.637 6.336 -0.011 1.00 2.22 C ATOM 2029 CD ARG C 220 11.707 7.274 -1.188 1.00 74.02 C ATOM 2030 NE ARG C 220 12.289 8.558 -0.823 1.00 71.30 N ATOM 2031 CZ ARG C 220 12.393 9.627 -1.626 1.00 22.11 C ATOM 2032 NH1 ARG C 220 11.957 9.570 -2.890 1.00 5.01 N ATOM 2033 NH2 ARG C 220 12.940 10.741 -1.163 1.00 4.14 N ATOM 0 H ARG C 220 13.499 4.469 -0.092 1.00 63.13 H new ATOM 0 HA ARG C 220 11.309 3.096 -1.294 1.00 3.54 H new ATOM 0 HB2 ARG C 220 10.064 5.164 -0.852 1.00 11.41 H new ATOM 0 HB3 ARG C 220 10.826 4.444 0.552 1.00 11.41 H new ATOM 0 HG2 ARG C 220 11.046 6.796 0.781 1.00 2.22 H new ATOM 0 HG3 ARG C 220 12.640 6.184 0.388 1.00 2.22 H new ATOM 0 HD2 ARG C 220 12.300 6.818 -1.981 1.00 74.02 H new ATOM 0 HD3 ARG C 220 10.705 7.430 -1.589 1.00 74.02 H new ATOM 0 HE ARG C 220 12.649 8.653 0.127 1.00 71.30 H new ATOM 0 HH11 ARG C 220 11.542 8.710 -3.248 1.00 5.01 H new ATOM 0 HH12 ARG C 220 12.039 10.387 -3.495 1.00 5.01 H new ATOM 0 HH21 ARG C 220 13.279 10.782 -0.202 1.00 4.14 H new ATOM 0 HH22 ARG C 220 13.023 11.558 -1.768 1.00 4.14 H new ATOM 2047 N ALA C 221 13.034 4.996 -3.153 1.00 73.05 N ATOM 2048 CA ALA C 221 13.265 5.384 -4.523 1.00 23.31 C ATOM 2049 C ALA C 221 13.662 4.166 -5.363 1.00 14.04 C ATOM 2050 O ALA C 221 13.672 4.221 -6.595 1.00 72.44 O ATOM 2051 CB ALA C 221 14.342 6.444 -4.580 1.00 23.51 C ATOM 0 H ALA C 221 13.833 5.146 -2.537 1.00 73.05 H new ATOM 0 HA ALA C 221 12.344 5.796 -4.936 1.00 23.31 H new ATOM 0 HB1 ALA C 221 14.513 6.734 -5.617 1.00 23.51 H new ATOM 0 HB2 ALA C 221 14.025 7.316 -4.007 1.00 23.51 H new ATOM 0 HB3 ALA C 221 15.265 6.048 -4.157 1.00 23.51 H new ATOM 2057 N ASN C 222 13.974 3.061 -4.677 1.00 71.42 N ATOM 2058 CA ASN C 222 14.431 1.832 -5.327 1.00 31.34 C ATOM 2059 C ASN C 222 13.283 0.833 -5.447 1.00 20.51 C ATOM 2060 O ASN C 222 13.429 -0.255 -6.004 1.00 14.45 O ATOM 2061 CB ASN C 222 15.619 1.235 -4.559 1.00 41.34 C ATOM 2062 CG ASN C 222 16.262 0.002 -5.209 1.00 21.32 C ATOM 2063 OD1 ASN C 222 16.276 -0.153 -6.431 1.00 33.14 O ATOM 2064 ND2 ASN C 222 16.826 -0.862 -4.397 1.00 3.21 N ATOM 0 H ASN C 222 13.917 2.995 -3.661 1.00 71.42 H new ATOM 0 HA ASN C 222 14.770 2.069 -6.336 1.00 31.34 H new ATOM 0 HB2 ASN C 222 16.382 2.005 -4.445 1.00 41.34 H new ATOM 0 HB3 ASN C 222 15.285 0.966 -3.557 1.00 41.34 H new ATOM 0 HD21 ASN C 222 17.291 -1.688 -4.774 1.00 3.21 H new ATOM 0 HD22 ASN C 222 16.799 -0.708 -3.389 1.00 3.21 H new ATOM 2071 N VAL C 223 12.143 1.204 -4.941 1.00 42.43 N ATOM 2072 CA VAL C 223 10.972 0.385 -5.108 1.00 4.01 C ATOM 2073 C VAL C 223 10.038 1.034 -6.124 1.00 72.42 C ATOM 2074 O VAL C 223 9.857 2.245 -6.122 1.00 63.12 O ATOM 2075 CB VAL C 223 10.229 0.087 -3.766 1.00 23.43 C ATOM 2076 CG1 VAL C 223 11.109 -0.739 -2.841 1.00 12.22 C ATOM 2077 CG2 VAL C 223 9.815 1.367 -3.065 1.00 35.55 C ATOM 0 H VAL C 223 11.996 2.063 -4.411 1.00 42.43 H new ATOM 0 HA VAL C 223 11.302 -0.585 -5.480 1.00 4.01 H new ATOM 0 HB VAL C 223 9.330 -0.479 -4.010 1.00 23.43 H new ATOM 0 HG11 VAL C 223 10.575 -0.937 -1.912 1.00 12.22 H new ATOM 0 HG12 VAL C 223 11.359 -1.684 -3.324 1.00 12.22 H new ATOM 0 HG13 VAL C 223 12.025 -0.189 -2.623 1.00 12.22 H new ATOM 0 HG21 VAL C 223 9.301 1.123 -2.135 1.00 35.55 H new ATOM 0 HG22 VAL C 223 10.700 1.964 -2.844 1.00 35.55 H new ATOM 0 HG23 VAL C 223 9.146 1.936 -3.711 1.00 35.55 H new ATOM 2087 N LYS C 224 9.508 0.238 -7.031 1.00 34.31 N ATOM 2088 CA LYS C 224 8.589 0.742 -8.043 1.00 54.51 C ATOM 2089 C LYS C 224 7.241 1.106 -7.449 1.00 42.04 C ATOM 2090 O LYS C 224 6.593 2.045 -7.900 1.00 75.42 O ATOM 2091 CB LYS C 224 8.426 -0.237 -9.221 1.00 34.40 C ATOM 2092 CG LYS C 224 9.721 -0.467 -9.943 1.00 14.14 C ATOM 2093 CD LYS C 224 9.585 -1.254 -11.258 1.00 50.03 C ATOM 2094 CE LYS C 224 9.080 -2.676 -11.075 1.00 42.30 C ATOM 2095 NZ LYS C 224 9.061 -3.415 -12.371 1.00 11.43 N ATOM 0 H LYS C 224 9.696 -0.763 -7.092 1.00 34.31 H new ATOM 0 HA LYS C 224 9.036 1.654 -8.438 1.00 54.51 H new ATOM 0 HB2 LYS C 224 8.043 -1.188 -8.852 1.00 34.40 H new ATOM 0 HB3 LYS C 224 7.686 0.155 -9.919 1.00 34.40 H new ATOM 0 HG2 LYS C 224 10.180 0.498 -10.157 1.00 14.14 H new ATOM 0 HG3 LYS C 224 10.401 -1.003 -9.282 1.00 14.14 H new ATOM 0 HD2 LYS C 224 8.905 -0.720 -11.921 1.00 50.03 H new ATOM 0 HD3 LYS C 224 10.555 -1.284 -11.754 1.00 50.03 H new ATOM 0 HE2 LYS C 224 9.717 -3.202 -10.363 1.00 42.30 H new ATOM 0 HE3 LYS C 224 8.076 -2.656 -10.650 1.00 42.30 H new ATOM 0 HZ1 LYS C 224 8.712 -4.382 -12.214 1.00 11.43 H new ATOM 0 HZ2 LYS C 224 8.434 -2.925 -13.041 1.00 11.43 H new ATOM 0 HZ3 LYS C 224 10.024 -3.454 -12.763 1.00 11.43 H new ATOM 2109 N HIS C 225 6.818 0.347 -6.455 1.00 62.13 N ATOM 2110 CA HIS C 225 5.555 0.635 -5.740 1.00 51.11 C ATOM 2111 C HIS C 225 5.492 -0.179 -4.462 1.00 63.12 C ATOM 2112 O HIS C 225 6.316 -1.065 -4.256 1.00 65.50 O ATOM 2113 CB HIS C 225 4.280 0.316 -6.602 1.00 23.21 C ATOM 2114 CG HIS C 225 3.934 -1.161 -6.778 1.00 12.51 C ATOM 2115 ND1 HIS C 225 3.499 -2.077 -5.873 1.00 45.23 N flip ATOM 2116 CD2 HIS C 225 3.954 -1.825 -7.979 1.00 44.40 C flip ATOM 2117 CE1 HIS C 225 3.271 -3.235 -6.528 1.00 11.45 C flip ATOM 2118 NE2 HIS C 225 3.542 -3.071 -7.787 1.00 13.44 N flip ATOM 0 H HIS C 225 7.317 -0.474 -6.114 1.00 62.13 H new ATOM 0 HA HIS C 225 5.554 1.703 -5.524 1.00 51.11 H new ATOM 0 HB2 HIS C 225 3.425 0.816 -6.146 1.00 23.21 H new ATOM 0 HB3 HIS C 225 4.416 0.755 -7.590 1.00 23.21 H new ATOM 0 HD2 HIS C 225 4.256 -1.402 -8.926 1.00 44.40 H new ATOM 0 HE1 HIS C 225 2.919 -4.151 -6.077 1.00 11.45 H new ATOM 0 HE2 HIS C 225 3.453 -3.784 -8.511 1.00 13.44 H new ATOM 2127 N LEU C 226 4.469 0.074 -3.655 1.00 60.24 N ATOM 2128 CA LEU C 226 4.225 -0.685 -2.432 1.00 34.12 C ATOM 2129 C LEU C 226 2.869 -1.377 -2.536 1.00 24.52 C ATOM 2130 O LEU C 226 1.952 -0.841 -3.127 1.00 71.33 O ATOM 2131 CB LEU C 226 4.204 0.224 -1.179 1.00 42.24 C ATOM 2132 CG LEU C 226 5.507 0.921 -0.731 1.00 31.14 C ATOM 2133 CD1 LEU C 226 6.008 1.940 -1.746 1.00 70.54 C ATOM 2134 CD2 LEU C 226 5.289 1.581 0.613 1.00 2.13 C ATOM 0 H LEU C 226 3.785 0.810 -3.829 1.00 60.24 H new ATOM 0 HA LEU C 226 5.036 -1.406 -2.326 1.00 34.12 H new ATOM 0 HB2 LEU C 226 3.459 1.001 -1.350 1.00 42.24 H new ATOM 0 HB3 LEU C 226 3.850 -0.379 -0.343 1.00 42.24 H new ATOM 0 HG LEU C 226 6.279 0.155 -0.651 1.00 31.14 H new ATOM 0 HD11 LEU C 226 6.926 2.398 -1.379 1.00 70.54 H new ATOM 0 HD12 LEU C 226 6.206 1.441 -2.695 1.00 70.54 H new ATOM 0 HD13 LEU C 226 5.251 2.711 -1.892 1.00 70.54 H new ATOM 0 HD21 LEU C 226 6.208 2.073 0.930 1.00 2.13 H new ATOM 0 HD22 LEU C 226 4.492 2.320 0.531 1.00 2.13 H new ATOM 0 HD23 LEU C 226 5.010 0.826 1.348 1.00 2.13 H new ATOM 2146 N LYS C 227 2.752 -2.560 -2.010 1.00 24.35 N ATOM 2147 CA LYS C 227 1.469 -3.241 -1.968 1.00 40.12 C ATOM 2148 C LYS C 227 1.246 -3.844 -0.607 1.00 50.44 C ATOM 2149 O LYS C 227 2.059 -4.613 -0.133 1.00 12.35 O ATOM 2150 CB LYS C 227 1.312 -4.292 -3.089 1.00 72.24 C ATOM 2151 CG LYS C 227 -0.006 -5.073 -3.005 1.00 2.33 C ATOM 2152 CD LYS C 227 -0.268 -5.971 -4.219 1.00 25.11 C ATOM 2153 CE LYS C 227 0.851 -6.948 -4.464 1.00 13.21 C ATOM 2154 NZ LYS C 227 0.562 -7.863 -5.587 1.00 5.20 N ATOM 0 H LYS C 227 3.525 -3.084 -1.600 1.00 24.35 H new ATOM 0 HA LYS C 227 0.697 -2.494 -2.150 1.00 40.12 H new ATOM 0 HB2 LYS C 227 1.370 -3.793 -4.056 1.00 72.24 H new ATOM 0 HB3 LYS C 227 2.146 -4.993 -3.041 1.00 72.24 H new ATOM 0 HG2 LYS C 227 0.003 -5.687 -2.105 1.00 2.33 H new ATOM 0 HG3 LYS C 227 -0.830 -4.367 -2.901 1.00 2.33 H new ATOM 0 HD2 LYS C 227 -1.198 -6.519 -4.068 1.00 25.11 H new ATOM 0 HD3 LYS C 227 -0.404 -5.350 -5.104 1.00 25.11 H new ATOM 0 HE2 LYS C 227 1.770 -6.400 -4.673 1.00 13.21 H new ATOM 0 HE3 LYS C 227 1.026 -7.531 -3.560 1.00 13.21 H new ATOM 0 HZ1 LYS C 227 1.361 -8.516 -5.717 1.00 5.20 H new ATOM 0 HZ2 LYS C 227 -0.300 -8.407 -5.379 1.00 5.20 H new ATOM 0 HZ3 LYS C 227 0.421 -7.311 -6.457 1.00 5.20 H new ATOM 2168 N ILE C 228 0.151 -3.499 0.000 1.00 63.54 N ATOM 2169 CA ILE C 228 -0.151 -3.940 1.328 1.00 22.11 C ATOM 2170 C ILE C 228 -1.194 -5.044 1.271 1.00 5.35 C ATOM 2171 O ILE C 228 -2.339 -4.832 0.799 1.00 53.54 O ATOM 2172 CB ILE C 228 -0.700 -2.775 2.198 1.00 61.45 C ATOM 2173 CG1 ILE C 228 0.259 -1.574 2.165 1.00 22.42 C ATOM 2174 CG2 ILE C 228 -0.901 -3.249 3.633 1.00 72.21 C ATOM 2175 CD1 ILE C 228 -0.209 -0.379 2.975 1.00 44.01 C ATOM 0 H ILE C 228 -0.563 -2.900 -0.415 1.00 63.54 H new ATOM 0 HA ILE C 228 0.770 -4.308 1.779 1.00 22.11 H new ATOM 0 HB ILE C 228 -1.659 -2.458 1.789 1.00 61.45 H new ATOM 0 HG12 ILE C 228 1.233 -1.891 2.537 1.00 22.42 H new ATOM 0 HG13 ILE C 228 0.399 -1.264 1.129 1.00 22.42 H new ATOM 0 HG21 ILE C 228 -1.286 -2.427 4.237 1.00 72.21 H new ATOM 0 HG22 ILE C 228 -1.613 -4.074 3.647 1.00 72.21 H new ATOM 0 HG23 ILE C 228 0.052 -3.585 4.042 1.00 72.21 H new ATOM 0 HD11 ILE C 228 0.525 0.423 2.898 1.00 44.01 H new ATOM 0 HD12 ILE C 228 -1.168 -0.032 2.590 1.00 44.01 H new ATOM 0 HD13 ILE C 228 -0.321 -0.669 4.020 1.00 44.01 H new ATOM 2187 N LEU C 229 -0.815 -6.214 1.710 1.00 62.00 N ATOM 2188 CA LEU C 229 -1.731 -7.314 1.754 1.00 32.45 C ATOM 2189 C LEU C 229 -2.147 -7.514 3.195 1.00 31.11 C ATOM 2190 O LEU C 229 -1.295 -7.717 4.073 1.00 21.23 O ATOM 2191 CB LEU C 229 -1.126 -8.615 1.141 1.00 3.40 C ATOM 2192 CG LEU C 229 -0.571 -8.509 -0.307 1.00 10.54 C ATOM 2193 CD1 LEU C 229 -0.286 -9.860 -0.913 1.00 50.20 C ATOM 2194 CD2 LEU C 229 -1.486 -7.772 -1.198 1.00 35.13 C ATOM 0 H LEU C 229 0.125 -6.427 2.042 1.00 62.00 H new ATOM 0 HA LEU C 229 -2.603 -7.085 1.141 1.00 32.45 H new ATOM 0 HB2 LEU C 229 -0.320 -8.955 1.791 1.00 3.40 H new ATOM 0 HB3 LEU C 229 -1.894 -9.388 1.156 1.00 3.40 H new ATOM 0 HG LEU C 229 0.365 -7.958 -0.218 1.00 10.54 H new ATOM 0 HD11 LEU C 229 0.100 -9.731 -1.924 1.00 50.20 H new ATOM 0 HD12 LEU C 229 0.454 -10.382 -0.306 1.00 50.20 H new ATOM 0 HD13 LEU C 229 -1.205 -10.445 -0.947 1.00 50.20 H new ATOM 0 HD21 LEU C 229 -1.058 -7.723 -2.199 1.00 35.13 H new ATOM 0 HD22 LEU C 229 -2.446 -8.286 -1.239 1.00 35.13 H new ATOM 0 HD23 LEU C 229 -1.631 -6.762 -0.815 1.00 35.13 H new ATOM 2206 N ASN C 230 -3.437 -7.436 3.448 1.00 73.15 N ATOM 2207 CA ASN C 230 -3.948 -7.542 4.803 1.00 25.33 C ATOM 2208 C ASN C 230 -4.086 -8.973 5.201 1.00 21.23 C ATOM 2209 O ASN C 230 -4.943 -9.704 4.689 1.00 60.01 O ATOM 2210 CB ASN C 230 -5.291 -6.843 4.953 1.00 10.42 C ATOM 2211 CG ASN C 230 -5.877 -6.973 6.359 1.00 62.24 C ATOM 2212 OD1 ASN C 230 -5.625 -6.146 7.236 1.00 30.25 O ATOM 2213 ND2 ASN C 230 -6.679 -8.002 6.578 1.00 11.23 N ATOM 0 H ASN C 230 -4.153 -7.300 2.734 1.00 73.15 H new ATOM 0 HA ASN C 230 -3.229 -7.050 5.458 1.00 25.33 H new ATOM 0 HB2 ASN C 230 -5.174 -5.787 4.710 1.00 10.42 H new ATOM 0 HB3 ASN C 230 -5.994 -7.260 4.232 1.00 10.42 H new ATOM 0 HD21 ASN C 230 -7.109 -8.128 7.494 1.00 11.23 H new ATOM 0 HD22 ASN C 230 -6.868 -8.670 5.830 1.00 11.23 H new ATOM 2220 N THR C 231 -3.253 -9.372 6.093 1.00 64.13 N ATOM 2221 CA THR C 231 -3.235 -10.705 6.558 1.00 51.20 C ATOM 2222 C THR C 231 -3.606 -10.754 8.024 1.00 71.32 C ATOM 2223 O THR C 231 -3.183 -9.898 8.787 1.00 22.43 O ATOM 2224 CB THR C 231 -1.832 -11.280 6.388 1.00 51.14 C ATOM 2225 OG1 THR C 231 -0.894 -10.494 7.152 1.00 32.25 O ATOM 2226 CG2 THR C 231 -1.437 -11.238 4.938 1.00 43.34 C ATOM 0 H THR C 231 -2.554 -8.768 6.526 1.00 64.13 H new ATOM 0 HA THR C 231 -3.955 -11.287 5.983 1.00 51.20 H new ATOM 0 HB THR C 231 -1.825 -12.312 6.739 1.00 51.14 H new ATOM 0 HG1 THR C 231 -0.218 -10.116 6.551 1.00 32.25 H new ATOM 0 HG21 THR C 231 -0.434 -11.650 4.822 1.00 43.34 H new ATOM 0 HG22 THR C 231 -2.142 -11.828 4.352 1.00 43.34 H new ATOM 0 HG23 THR C 231 -1.448 -10.206 4.588 1.00 43.34 H new ATOM 2234 N PRO C 232 -4.420 -11.714 8.441 1.00 52.10 N ATOM 2235 CA PRO C 232 -4.689 -11.936 9.857 1.00 13.03 C ATOM 2236 C PRO C 232 -3.544 -12.746 10.498 1.00 32.21 C ATOM 2237 O PRO C 232 -3.446 -12.854 11.717 1.00 41.44 O ATOM 2238 CB PRO C 232 -5.985 -12.768 9.858 1.00 74.34 C ATOM 2239 CG PRO C 232 -6.440 -12.816 8.431 1.00 52.22 C ATOM 2240 CD PRO C 232 -5.212 -12.606 7.595 1.00 10.30 C ATOM 0 HA PRO C 232 -4.776 -11.007 10.421 1.00 13.03 H new ATOM 0 HB2 PRO C 232 -5.806 -13.771 10.245 1.00 74.34 H new ATOM 0 HB3 PRO C 232 -6.743 -12.311 10.495 1.00 74.34 H new ATOM 0 HG2 PRO C 232 -6.907 -13.774 8.203 1.00 52.22 H new ATOM 0 HG3 PRO C 232 -7.183 -12.044 8.233 1.00 52.22 H new ATOM 0 HD2 PRO C 232 -4.693 -13.542 7.390 1.00 10.30 H new ATOM 0 HD3 PRO C 232 -5.446 -12.154 6.631 1.00 10.30 H new ATOM 2248 N ASN C 233 -2.677 -13.290 9.646 1.00 11.32 N ATOM 2249 CA ASN C 233 -1.563 -14.140 10.084 1.00 52.14 C ATOM 2250 C ASN C 233 -0.329 -13.296 10.450 1.00 1.25 C ATOM 2251 O ASN C 233 0.508 -13.705 11.247 1.00 61.32 O ATOM 2252 CB ASN C 233 -1.227 -15.164 8.980 1.00 31.52 C ATOM 2253 CG ASN C 233 -0.155 -16.167 9.383 1.00 40.11 C ATOM 2254 OD1 ASN C 233 1.044 -15.950 9.176 1.00 22.44 O ATOM 2255 ND2 ASN C 233 -0.578 -17.267 9.944 1.00 71.13 N ATOM 0 H ASN C 233 -2.723 -13.157 8.636 1.00 11.32 H new ATOM 0 HA ASN C 233 -1.865 -14.677 10.983 1.00 52.14 H new ATOM 0 HB2 ASN C 233 -2.134 -15.704 8.709 1.00 31.52 H new ATOM 0 HB3 ASN C 233 -0.896 -14.630 8.089 1.00 31.52 H new ATOM 0 HD21 ASN C 233 0.090 -17.984 10.228 1.00 71.13 H new ATOM 0 HD22 ASN C 233 -1.576 -17.410 10.098 1.00 71.13 H new ATOM 2262 N CYS C 234 -0.248 -12.122 9.884 1.00 51.23 N ATOM 2263 CA CYS C 234 0.828 -11.183 10.163 1.00 11.23 C ATOM 2264 C CYS C 234 0.234 -9.860 10.593 1.00 13.14 C ATOM 2265 O CYS C 234 -0.958 -9.625 10.379 1.00 24.42 O ATOM 2266 CB CYS C 234 1.777 -11.000 8.952 1.00 22.34 C ATOM 2267 SG CYS C 234 2.803 -12.452 8.548 1.00 33.33 S ATOM 0 H CYS C 234 -0.930 -11.778 9.208 1.00 51.23 H new ATOM 0 HA CYS C 234 1.437 -11.590 10.970 1.00 11.23 H new ATOM 0 HB2 CYS C 234 1.180 -10.742 8.078 1.00 22.34 H new ATOM 0 HB3 CYS C 234 2.435 -10.153 9.150 1.00 22.34 H new ATOM 2272 N ALA C 235 1.038 -9.023 11.233 1.00 31.33 N ATOM 2273 CA ALA C 235 0.596 -7.717 11.714 1.00 23.34 C ATOM 2274 C ALA C 235 0.045 -6.890 10.565 1.00 64.02 C ATOM 2275 O ALA C 235 -1.012 -6.269 10.675 1.00 73.03 O ATOM 2276 CB ALA C 235 1.763 -6.996 12.364 1.00 45.45 C ATOM 0 H ALA C 235 2.017 -9.228 11.435 1.00 31.33 H new ATOM 0 HA ALA C 235 -0.196 -7.857 12.449 1.00 23.34 H new ATOM 0 HB1 ALA C 235 1.434 -6.021 12.723 1.00 45.45 H new ATOM 0 HB2 ALA C 235 2.133 -7.586 13.203 1.00 45.45 H new ATOM 0 HB3 ALA C 235 2.561 -6.863 11.633 1.00 45.45 H new ATOM 2282 N CYS C 236 0.784 -6.900 9.487 1.00 51.43 N ATOM 2283 CA CYS C 236 0.448 -6.251 8.242 1.00 51.02 C ATOM 2284 C CYS C 236 1.635 -6.537 7.351 1.00 5.12 C ATOM 2285 O CYS C 236 2.738 -6.696 7.868 1.00 31.14 O ATOM 2286 CB CYS C 236 0.250 -4.722 8.450 1.00 22.31 C ATOM 2287 SG CYS C 236 -0.413 -3.815 7.004 1.00 34.13 S ATOM 0 H CYS C 236 1.681 -7.384 9.449 1.00 51.43 H new ATOM 0 HA CYS C 236 -0.488 -6.612 7.815 1.00 51.02 H new ATOM 0 HB2 CYS C 236 -0.424 -4.571 9.293 1.00 22.31 H new ATOM 0 HB3 CYS C 236 1.209 -4.282 8.726 1.00 22.31 H new ATOM 2292 N GLN C 237 1.452 -6.663 6.067 1.00 61.23 N ATOM 2293 CA GLN C 237 2.582 -7.004 5.233 1.00 34.44 C ATOM 2294 C GLN C 237 2.597 -6.187 3.962 1.00 73.24 C ATOM 2295 O GLN C 237 1.583 -6.080 3.266 1.00 54.31 O ATOM 2296 CB GLN C 237 2.595 -8.507 4.917 1.00 0.23 C ATOM 2297 CG GLN C 237 3.869 -8.976 4.226 1.00 53.21 C ATOM 2298 CD GLN C 237 5.122 -8.720 5.065 1.00 52.32 C ATOM 2299 OE1 GLN C 237 6.202 -8.503 4.532 1.00 44.52 O ATOM 2300 NE2 GLN C 237 4.977 -8.752 6.375 1.00 55.23 N ATOM 0 H GLN C 237 0.563 -6.541 5.582 1.00 61.23 H new ATOM 0 HA GLN C 237 3.488 -6.764 5.790 1.00 34.44 H new ATOM 0 HB2 GLN C 237 2.468 -9.065 5.844 1.00 0.23 H new ATOM 0 HB3 GLN C 237 1.740 -8.744 4.283 1.00 0.23 H new ATOM 0 HG2 GLN C 237 3.791 -10.042 4.013 1.00 53.21 H new ATOM 0 HG3 GLN C 237 3.967 -8.466 3.268 1.00 53.21 H new ATOM 0 HE21 GLN C 237 4.060 -8.936 6.782 1.00 55.23 H new ATOM 0 HE22 GLN C 237 5.782 -8.593 6.981 1.00 55.23 H new ATOM 2309 N ILE C 238 3.738 -5.610 3.665 1.00 33.31 N ATOM 2310 CA ILE C 238 3.881 -4.790 2.500 1.00 32.40 C ATOM 2311 C ILE C 238 4.878 -5.445 1.561 1.00 62.22 C ATOM 2312 O ILE C 238 5.962 -5.816 1.972 1.00 72.21 O ATOM 2313 CB ILE C 238 4.398 -3.378 2.872 1.00 54.32 C ATOM 2314 CG1 ILE C 238 3.548 -2.782 4.004 1.00 31.33 C ATOM 2315 CG2 ILE C 238 4.365 -2.467 1.645 1.00 31.21 C ATOM 2316 CD1 ILE C 238 3.942 -1.382 4.415 1.00 55.04 C ATOM 0 H ILE C 238 4.586 -5.699 4.226 1.00 33.31 H new ATOM 0 HA ILE C 238 2.906 -4.689 2.023 1.00 32.40 H new ATOM 0 HB ILE C 238 5.428 -3.460 3.219 1.00 54.32 H new ATOM 0 HG12 ILE C 238 2.504 -2.775 3.692 1.00 31.33 H new ATOM 0 HG13 ILE C 238 3.616 -3.435 4.874 1.00 31.33 H new ATOM 0 HG21 ILE C 238 4.730 -1.477 1.917 1.00 31.21 H new ATOM 0 HG22 ILE C 238 4.999 -2.886 0.864 1.00 31.21 H new ATOM 0 HG23 ILE C 238 3.342 -2.388 1.278 1.00 31.21 H new ATOM 0 HD11 ILE C 238 3.289 -1.042 5.219 1.00 55.04 H new ATOM 0 HD12 ILE C 238 4.975 -1.382 4.762 1.00 55.04 H new ATOM 0 HD13 ILE C 238 3.846 -0.711 3.561 1.00 55.04 H new ATOM 2328 N VAL C 239 4.501 -5.604 0.334 1.00 4.31 N ATOM 2329 CA VAL C 239 5.362 -6.184 -0.662 1.00 15.24 C ATOM 2330 C VAL C 239 5.657 -5.132 -1.724 1.00 51.43 C ATOM 2331 O VAL C 239 4.733 -4.509 -2.266 1.00 4.55 O ATOM 2332 CB VAL C 239 4.709 -7.419 -1.326 1.00 54.13 C ATOM 2333 CG1 VAL C 239 5.673 -8.079 -2.299 1.00 23.44 C ATOM 2334 CG2 VAL C 239 4.233 -8.419 -0.272 1.00 13.40 C ATOM 0 H VAL C 239 3.581 -5.335 -0.015 1.00 4.31 H new ATOM 0 HA VAL C 239 6.282 -6.512 -0.179 1.00 15.24 H new ATOM 0 HB VAL C 239 3.838 -7.080 -1.886 1.00 54.13 H new ATOM 0 HG11 VAL C 239 5.194 -8.945 -2.755 1.00 23.44 H new ATOM 0 HG12 VAL C 239 5.950 -7.367 -3.076 1.00 23.44 H new ATOM 0 HG13 VAL C 239 6.568 -8.399 -1.764 1.00 23.44 H new ATOM 0 HG21 VAL C 239 3.778 -9.278 -0.765 1.00 13.40 H new ATOM 0 HG22 VAL C 239 5.083 -8.751 0.324 1.00 13.40 H new ATOM 0 HG23 VAL C 239 3.499 -7.942 0.377 1.00 13.40 H new ATOM 2344 N ALA C 240 6.905 -4.938 -2.028 1.00 54.42 N ATOM 2345 CA ALA C 240 7.316 -3.922 -2.962 1.00 22.02 C ATOM 2346 C ALA C 240 8.241 -4.504 -4.020 1.00 64.12 C ATOM 2347 O ALA C 240 9.177 -5.221 -3.709 1.00 54.40 O ATOM 2348 CB ALA C 240 8.013 -2.801 -2.211 1.00 24.32 C ATOM 0 H ALA C 240 7.674 -5.481 -1.635 1.00 54.42 H new ATOM 0 HA ALA C 240 6.434 -3.527 -3.467 1.00 22.02 H new ATOM 0 HB1 ALA C 240 8.325 -2.030 -2.916 1.00 24.32 H new ATOM 0 HB2 ALA C 240 7.327 -2.370 -1.482 1.00 24.32 H new ATOM 0 HB3 ALA C 240 8.888 -3.197 -1.696 1.00 24.32 H new ATOM 2354 N ARG C 241 7.982 -4.210 -5.270 1.00 71.15 N ATOM 2355 CA ARG C 241 8.842 -4.702 -6.325 1.00 52.31 C ATOM 2356 C ARG C 241 9.839 -3.627 -6.723 1.00 1.41 C ATOM 2357 O ARG C 241 9.454 -2.485 -6.978 1.00 74.42 O ATOM 2358 CB ARG C 241 8.049 -5.248 -7.534 1.00 44.52 C ATOM 2359 CG ARG C 241 7.182 -6.455 -7.187 1.00 74.43 C ATOM 2360 CD ARG C 241 6.630 -7.143 -8.424 1.00 62.54 C ATOM 2361 NE ARG C 241 5.948 -8.406 -8.087 1.00 22.33 N ATOM 2362 CZ ARG C 241 5.302 -9.199 -8.957 1.00 61.32 C ATOM 2363 NH1 ARG C 241 5.248 -8.891 -10.245 1.00 11.02 N ATOM 2364 NH2 ARG C 241 4.726 -10.307 -8.524 1.00 61.40 N ATOM 0 H ARG C 241 7.195 -3.641 -5.582 1.00 71.15 H new ATOM 0 HA ARG C 241 9.397 -5.556 -5.937 1.00 52.31 H new ATOM 0 HB2 ARG C 241 7.415 -4.456 -7.933 1.00 44.52 H new ATOM 0 HB3 ARG C 241 8.747 -5.525 -8.324 1.00 44.52 H new ATOM 0 HG2 ARG C 241 7.770 -7.168 -6.609 1.00 74.43 H new ATOM 0 HG3 ARG C 241 6.355 -6.135 -6.552 1.00 74.43 H new ATOM 0 HD2 ARG C 241 5.932 -6.476 -8.930 1.00 62.54 H new ATOM 0 HD3 ARG C 241 7.443 -7.343 -9.122 1.00 62.54 H new ATOM 0 HE ARG C 241 5.969 -8.702 -7.111 1.00 22.33 H new ATOM 0 HH11 ARG C 241 5.701 -8.043 -10.586 1.00 11.02 H new ATOM 0 HH12 ARG C 241 4.754 -9.502 -10.895 1.00 11.02 H new ATOM 0 HH21 ARG C 241 4.774 -10.554 -7.536 1.00 61.40 H new ATOM 0 HH22 ARG C 241 4.233 -10.915 -9.178 1.00 61.40 H new ATOM 2378 N LEU C 242 11.110 -4.001 -6.743 1.00 61.22 N ATOM 2379 CA LEU C 242 12.225 -3.074 -6.991 1.00 5.41 C ATOM 2380 C LEU C 242 12.242 -2.504 -8.401 1.00 61.54 C ATOM 2381 O LEU C 242 11.671 -3.091 -9.332 1.00 31.55 O ATOM 2382 CB LEU C 242 13.566 -3.758 -6.708 1.00 31.11 C ATOM 2383 CG LEU C 242 13.797 -4.244 -5.278 1.00 0.23 C ATOM 2384 CD1 LEU C 242 15.136 -4.933 -5.176 1.00 13.01 C ATOM 2385 CD2 LEU C 242 13.732 -3.091 -4.295 1.00 35.32 C ATOM 0 H LEU C 242 11.408 -4.964 -6.587 1.00 61.22 H new ATOM 0 HA LEU C 242 12.072 -2.238 -6.308 1.00 5.41 H new ATOM 0 HB2 LEU C 242 13.661 -4.613 -7.378 1.00 31.11 H new ATOM 0 HB3 LEU C 242 14.365 -3.062 -6.965 1.00 31.11 H new ATOM 0 HG LEU C 242 13.007 -4.952 -5.027 1.00 0.23 H new ATOM 0 HD11 LEU C 242 15.292 -5.276 -4.153 1.00 13.01 H new ATOM 0 HD12 LEU C 242 15.158 -5.787 -5.852 1.00 13.01 H new ATOM 0 HD13 LEU C 242 15.927 -4.234 -5.449 1.00 13.01 H new ATOM 0 HD21 LEU C 242 13.900 -3.464 -3.285 1.00 35.32 H new ATOM 0 HD22 LEU C 242 14.499 -2.358 -4.543 1.00 35.32 H new ATOM 0 HD23 LEU C 242 12.750 -2.621 -4.350 1.00 35.32 H new ATOM 2397 N LYS C 243 12.914 -1.348 -8.532 1.00 50.13 N ATOM 2398 CA LYS C 243 13.101 -0.632 -9.799 1.00 22.05 C ATOM 2399 C LYS C 243 13.629 -1.550 -10.869 1.00 71.54 C ATOM 2400 O LYS C 243 14.464 -2.433 -10.595 1.00 70.31 O ATOM 2401 CB LYS C 243 14.067 0.524 -9.600 1.00 2.13 C ATOM 2402 CG LYS C 243 13.599 1.529 -8.576 1.00 3.34 C ATOM 2403 CD LYS C 243 12.462 2.396 -9.038 1.00 62.21 C ATOM 2404 CE LYS C 243 12.902 3.341 -10.151 1.00 32.42 C ATOM 2405 NZ LYS C 243 13.993 4.257 -9.718 1.00 63.35 N ATOM 0 H LYS C 243 13.351 -0.877 -7.740 1.00 50.13 H new ATOM 0 HA LYS C 243 12.131 -0.251 -10.119 1.00 22.05 H new ATOM 0 HB2 LYS C 243 15.036 0.129 -9.294 1.00 2.13 H new ATOM 0 HB3 LYS C 243 14.216 1.031 -10.553 1.00 2.13 H new ATOM 0 HG2 LYS C 243 13.293 0.997 -7.675 1.00 3.34 H new ATOM 0 HG3 LYS C 243 14.438 2.167 -8.300 1.00 3.34 H new ATOM 0 HD2 LYS C 243 11.644 1.769 -9.393 1.00 62.21 H new ATOM 0 HD3 LYS C 243 12.078 2.974 -8.198 1.00 62.21 H new ATOM 0 HE2 LYS C 243 13.239 2.757 -11.007 1.00 32.42 H new ATOM 0 HE3 LYS C 243 12.047 3.930 -10.483 1.00 32.42 H new ATOM 0 HZ1 LYS C 243 13.845 5.197 -10.139 1.00 63.35 H new ATOM 0 HZ2 LYS C 243 13.988 4.337 -8.681 1.00 63.35 H new ATOM 0 HZ3 LYS C 243 14.909 3.878 -10.031 1.00 63.35 H new ATOM 2461 N ARG C 247 14.280 -8.086 -7.752 1.00 4.41 N ATOM 2462 CA ARG C 247 13.531 -9.024 -7.009 1.00 74.31 C ATOM 2463 C ARG C 247 12.359 -8.293 -6.431 1.00 14.30 C ATOM 2464 O ARG C 247 12.259 -7.058 -6.571 1.00 10.10 O ATOM 2465 CB ARG C 247 14.356 -9.565 -5.857 1.00 72.42 C ATOM 2466 CG ARG C 247 14.899 -8.492 -4.953 1.00 15.03 C ATOM 2467 CD ARG C 247 15.413 -9.072 -3.683 1.00 4.41 C ATOM 2468 NE ARG C 247 14.313 -9.622 -2.855 1.00 62.43 N ATOM 2469 CZ ARG C 247 14.251 -9.636 -1.499 1.00 11.14 C ATOM 2470 NH1 ARG C 247 15.282 -9.234 -0.751 1.00 23.51 N ATOM 2471 NH2 ARG C 247 13.152 -10.066 -0.905 1.00 25.30 N ATOM 0 HA ARG C 247 13.228 -9.850 -7.652 1.00 74.31 H new ATOM 0 HB2 ARG C 247 13.742 -10.248 -5.270 1.00 72.42 H new ATOM 0 HB3 ARG C 247 15.186 -10.147 -6.257 1.00 72.42 H new ATOM 0 HG2 ARG C 247 15.700 -7.955 -5.461 1.00 15.03 H new ATOM 0 HG3 ARG C 247 14.116 -7.766 -4.734 1.00 15.03 H new ATOM 0 HD2 ARG C 247 16.132 -9.861 -3.906 1.00 4.41 H new ATOM 0 HD3 ARG C 247 15.945 -8.305 -3.120 1.00 4.41 H new ATOM 0 HE ARG C 247 13.523 -10.031 -3.355 1.00 62.43 H new ATOM 0 HH11 ARG C 247 16.139 -8.908 -1.197 1.00 23.51 H new ATOM 0 HH12 ARG C 247 15.212 -9.253 0.266 1.00 23.51 H new ATOM 0 HH21 ARG C 247 12.361 -10.383 -1.465 1.00 25.30 H new ATOM 0 HH22 ARG C 247 13.095 -10.081 0.113 1.00 25.30 H new ATOM 2485 N GLN C 248 11.493 -8.999 -5.798 1.00 24.44 N ATOM 2486 CA GLN C 248 10.454 -8.367 -5.069 1.00 51.41 C ATOM 2487 C GLN C 248 10.834 -8.419 -3.618 1.00 34.10 C ATOM 2488 O GLN C 248 11.322 -9.453 -3.137 1.00 31.53 O ATOM 2489 CB GLN C 248 9.086 -9.004 -5.336 1.00 22.13 C ATOM 2490 CG GLN C 248 8.985 -10.480 -5.023 1.00 40.24 C ATOM 2491 CD GLN C 248 7.608 -11.024 -5.316 1.00 24.42 C ATOM 2492 OE1 GLN C 248 6.903 -10.525 -6.213 1.00 4.14 O ATOM 2493 NE2 GLN C 248 7.213 -12.039 -4.597 1.00 32.04 N ATOM 0 H GLN C 248 11.483 -10.019 -5.770 1.00 24.44 H new ATOM 0 HA GLN C 248 10.346 -7.331 -5.391 1.00 51.41 H new ATOM 0 HB2 GLN C 248 8.336 -8.473 -4.749 1.00 22.13 H new ATOM 0 HB3 GLN C 248 8.833 -8.854 -6.386 1.00 22.13 H new ATOM 0 HG2 GLN C 248 9.724 -11.027 -5.609 1.00 40.24 H new ATOM 0 HG3 GLN C 248 9.225 -10.646 -3.973 1.00 40.24 H new ATOM 0 HE21 GLN C 248 7.822 -12.418 -3.872 1.00 32.04 H new ATOM 0 HE22 GLN C 248 6.295 -12.454 -4.761 1.00 32.04 H new ATOM 2502 N VAL C 249 10.693 -7.334 -2.943 1.00 60.41 N ATOM 2503 CA VAL C 249 11.051 -7.288 -1.568 1.00 14.23 C ATOM 2504 C VAL C 249 9.820 -7.148 -0.739 1.00 43.24 C ATOM 2505 O VAL C 249 8.787 -6.674 -1.211 1.00 51.22 O ATOM 2506 CB VAL C 249 12.067 -6.151 -1.214 1.00 45.10 C ATOM 2507 CG1 VAL C 249 13.348 -6.272 -2.018 1.00 61.41 C ATOM 2508 CG2 VAL C 249 11.477 -4.759 -1.354 1.00 62.44 C ATOM 0 H VAL C 249 10.330 -6.460 -3.323 1.00 60.41 H new ATOM 0 HA VAL C 249 11.561 -8.226 -1.348 1.00 14.23 H new ATOM 0 HB VAL C 249 12.307 -6.289 -0.160 1.00 45.10 H new ATOM 0 HG11 VAL C 249 14.027 -5.465 -1.744 1.00 61.41 H new ATOM 0 HG12 VAL C 249 13.821 -7.231 -1.807 1.00 61.41 H new ATOM 0 HG13 VAL C 249 13.118 -6.207 -3.081 1.00 61.41 H new ATOM 0 HG21 VAL C 249 12.231 -4.016 -1.094 1.00 62.44 H new ATOM 0 HG22 VAL C 249 11.153 -4.603 -2.383 1.00 62.44 H new ATOM 0 HG23 VAL C 249 10.622 -4.657 -0.685 1.00 62.44 H new ATOM 2518 N CYS C 250 9.912 -7.557 0.439 1.00 65.13 N ATOM 2519 CA CYS C 250 8.833 -7.470 1.338 1.00 10.33 C ATOM 2520 C CYS C 250 9.298 -6.564 2.414 1.00 54.02 C ATOM 2521 O CYS C 250 10.428 -6.602 2.765 1.00 35.10 O ATOM 2522 CB CYS C 250 8.519 -8.850 1.860 1.00 12.14 C ATOM 2523 SG CYS C 250 8.230 -10.070 0.521 1.00 44.23 S ATOM 0 H CYS C 250 10.755 -7.976 0.832 1.00 65.13 H new ATOM 0 HA CYS C 250 7.919 -7.087 0.884 1.00 10.33 H new ATOM 0 HB2 CYS C 250 9.343 -9.193 2.485 1.00 12.14 H new ATOM 0 HB3 CYS C 250 7.635 -8.800 2.496 1.00 12.14 H new ATOM 2528 N ILE C 251 8.478 -5.726 2.900 1.00 52.51 N ATOM 2529 CA ILE C 251 8.935 -4.749 3.846 1.00 32.04 C ATOM 2530 C ILE C 251 8.130 -4.721 5.083 1.00 43.30 C ATOM 2531 O ILE C 251 6.923 -5.017 5.074 1.00 60.23 O ATOM 2532 CB ILE C 251 9.034 -3.355 3.213 1.00 51.32 C ATOM 2533 CG1 ILE C 251 7.758 -3.002 2.470 1.00 42.34 C ATOM 2534 CG2 ILE C 251 10.232 -3.228 2.335 1.00 24.22 C ATOM 2535 CD1 ILE C 251 7.935 -1.918 1.443 1.00 14.52 C ATOM 0 H ILE C 251 7.485 -5.681 2.672 1.00 52.51 H new ATOM 0 HA ILE C 251 9.938 -5.058 4.140 1.00 32.04 H new ATOM 0 HB ILE C 251 9.157 -2.636 4.023 1.00 51.32 H new ATOM 0 HG12 ILE C 251 7.375 -3.896 1.979 1.00 42.34 H new ATOM 0 HG13 ILE C 251 7.004 -2.687 3.191 1.00 42.34 H new ATOM 0 HG21 ILE C 251 10.265 -2.226 1.907 1.00 24.22 H new ATOM 0 HG22 ILE C 251 11.134 -3.401 2.923 1.00 24.22 H new ATOM 0 HG23 ILE C 251 10.175 -3.964 1.533 1.00 24.22 H new ATOM 0 HD11 ILE C 251 6.981 -1.721 0.954 1.00 14.52 H new ATOM 0 HD12 ILE C 251 8.288 -1.009 1.930 1.00 14.52 H new ATOM 0 HD13 ILE C 251 8.665 -2.237 0.699 1.00 14.52 H new ATOM 2547 N ASP C 252 8.799 -4.383 6.165 1.00 52.42 N ATOM 2548 CA ASP C 252 8.147 -4.317 7.448 1.00 22.40 C ATOM 2549 C ASP C 252 7.239 -3.093 7.469 1.00 74.42 C ATOM 2550 O ASP C 252 7.666 -2.012 7.082 1.00 53.31 O ATOM 2551 CB ASP C 252 9.186 -4.227 8.569 1.00 72.13 C ATOM 2552 CG ASP C 252 8.561 -4.298 9.947 1.00 21.04 C ATOM 2553 OD1 ASP C 252 8.234 -5.400 10.413 1.00 65.20 O ATOM 2554 OD2 ASP C 252 8.385 -3.257 10.581 1.00 71.50 O ATOM 0 H ASP C 252 9.792 -4.151 6.178 1.00 52.42 H new ATOM 0 HA ASP C 252 7.555 -5.218 7.608 1.00 22.40 H new ATOM 0 HB2 ASP C 252 9.906 -5.038 8.458 1.00 72.13 H new ATOM 0 HB3 ASP C 252 9.740 -3.293 8.473 1.00 72.13 H new ATOM 2559 N PRO C 253 5.981 -3.235 7.905 1.00 75.12 N ATOM 2560 CA PRO C 253 5.023 -2.111 7.940 1.00 42.24 C ATOM 2561 C PRO C 253 5.412 -1.025 8.958 1.00 4.32 C ATOM 2562 O PRO C 253 4.811 0.038 9.011 1.00 14.01 O ATOM 2563 CB PRO C 253 3.701 -2.779 8.342 1.00 11.05 C ATOM 2564 CG PRO C 253 4.097 -4.046 9.019 1.00 72.23 C ATOM 2565 CD PRO C 253 5.375 -4.492 8.371 1.00 25.40 C ATOM 0 HA PRO C 253 4.981 -1.590 6.984 1.00 42.24 H new ATOM 0 HB2 PRO C 253 3.123 -2.139 9.009 1.00 11.05 H new ATOM 0 HB3 PRO C 253 3.078 -2.976 7.470 1.00 11.05 H new ATOM 0 HG2 PRO C 253 4.239 -3.887 10.088 1.00 72.23 H new ATOM 0 HG3 PRO C 253 3.321 -4.804 8.909 1.00 72.23 H new ATOM 0 HD2 PRO C 253 6.023 -5.012 9.077 1.00 25.40 H new ATOM 0 HD3 PRO C 253 5.188 -5.178 7.545 1.00 25.40 H new ATOM 2573 N LYS C 254 6.427 -1.304 9.735 1.00 0.40 N ATOM 2574 CA LYS C 254 6.888 -0.408 10.755 1.00 23.41 C ATOM 2575 C LYS C 254 8.286 0.114 10.415 1.00 22.42 C ATOM 2576 O LYS C 254 8.932 0.765 11.223 1.00 34.11 O ATOM 2577 CB LYS C 254 6.878 -1.149 12.074 1.00 0.41 C ATOM 2578 CG LYS C 254 5.510 -1.638 12.467 1.00 50.02 C ATOM 2579 CD LYS C 254 5.542 -2.451 13.741 1.00 23.20 C ATOM 2580 CE LYS C 254 6.135 -3.857 13.560 1.00 34.11 C ATOM 2581 NZ LYS C 254 7.553 -3.905 13.129 1.00 43.31 N ATOM 0 H LYS C 254 6.961 -2.171 9.673 1.00 0.40 H new ATOM 0 HA LYS C 254 6.232 0.460 10.824 1.00 23.41 H new ATOM 0 HB2 LYS C 254 7.557 -1.999 12.011 1.00 0.41 H new ATOM 0 HB3 LYS C 254 7.261 -0.493 12.855 1.00 0.41 H new ATOM 0 HG2 LYS C 254 4.844 -0.785 12.598 1.00 50.02 H new ATOM 0 HG3 LYS C 254 5.096 -2.244 11.661 1.00 50.02 H new ATOM 0 HD2 LYS C 254 6.124 -1.914 14.490 1.00 23.20 H new ATOM 0 HD3 LYS C 254 4.528 -2.541 14.130 1.00 23.20 H new ATOM 0 HE2 LYS C 254 6.043 -4.395 14.504 1.00 34.11 H new ATOM 0 HE3 LYS C 254 5.533 -4.394 12.827 1.00 34.11 H new ATOM 0 HZ1 LYS C 254 7.944 -4.848 13.326 1.00 43.31 H new ATOM 0 HZ2 LYS C 254 7.612 -3.712 12.109 1.00 43.31 H new ATOM 0 HZ3 LYS C 254 8.098 -3.188 13.649 1.00 43.31 H new ATOM 2595 N LEU C 255 8.732 -0.179 9.201 1.00 13.14 N ATOM 2596 CA LEU C 255 10.015 0.252 8.696 1.00 41.15 C ATOM 2597 C LEU C 255 10.019 1.802 8.653 1.00 73.45 C ATOM 2598 O LEU C 255 8.991 2.406 8.343 1.00 4.11 O ATOM 2599 CB LEU C 255 10.134 -0.317 7.277 1.00 61.14 C ATOM 2600 CG LEU C 255 11.511 -0.637 6.731 1.00 43.13 C ATOM 2601 CD1 LEU C 255 11.394 -1.201 5.326 1.00 24.13 C ATOM 2602 CD2 LEU C 255 12.442 0.542 6.754 1.00 22.54 C ATOM 0 H LEU C 255 8.197 -0.733 8.532 1.00 13.14 H new ATOM 0 HA LEU C 255 10.845 -0.087 9.316 1.00 41.15 H new ATOM 0 HB2 LEU C 255 9.543 -1.232 7.238 1.00 61.14 H new ATOM 0 HB3 LEU C 255 9.666 0.394 6.596 1.00 61.14 H new ATOM 0 HG LEU C 255 11.950 -1.386 7.390 1.00 43.13 H new ATOM 0 HD11 LEU C 255 12.388 -1.428 4.941 1.00 24.13 H new ATOM 0 HD12 LEU C 255 10.797 -2.112 5.348 1.00 24.13 H new ATOM 0 HD13 LEU C 255 10.913 -0.468 4.678 1.00 24.13 H new ATOM 0 HD21 LEU C 255 13.411 0.248 6.351 1.00 22.54 H new ATOM 0 HD22 LEU C 255 12.025 1.347 6.148 1.00 22.54 H new ATOM 0 HD23 LEU C 255 12.566 0.888 7.780 1.00 22.54 H new ATOM 2614 N LYS C 256 11.169 2.424 8.953 1.00 32.23 N ATOM 2615 CA LYS C 256 11.309 3.892 9.001 1.00 62.23 C ATOM 2616 C LYS C 256 10.666 4.636 7.827 1.00 11.41 C ATOM 2617 O LYS C 256 9.770 5.452 8.042 1.00 72.14 O ATOM 2618 CB LYS C 256 12.756 4.299 9.120 1.00 53.10 C ATOM 2619 CG LYS C 256 12.924 5.795 9.089 1.00 14.11 C ATOM 2620 CD LYS C 256 14.338 6.222 9.272 1.00 5.42 C ATOM 2621 CE LYS C 256 15.285 5.584 8.248 1.00 13.12 C ATOM 2622 NZ LYS C 256 16.664 6.082 8.389 1.00 1.50 N ATOM 0 H LYS C 256 12.031 1.925 9.170 1.00 32.23 H new ATOM 0 HA LYS C 256 10.758 4.188 9.893 1.00 62.23 H new ATOM 0 HB2 LYS C 256 13.168 3.907 10.050 1.00 53.10 H new ATOM 0 HB3 LYS C 256 13.327 3.853 8.305 1.00 53.10 H new ATOM 0 HG2 LYS C 256 12.554 6.178 8.138 1.00 14.11 H new ATOM 0 HG3 LYS C 256 12.311 6.241 9.872 1.00 14.11 H new ATOM 0 HD2 LYS C 256 14.399 7.307 9.191 1.00 5.42 H new ATOM 0 HD3 LYS C 256 14.666 5.959 10.278 1.00 5.42 H new ATOM 0 HE2 LYS C 256 15.276 4.501 8.371 1.00 13.12 H new ATOM 0 HE3 LYS C 256 14.925 5.793 7.241 1.00 13.12 H new ATOM 0 HZ1 LYS C 256 17.272 5.626 7.679 1.00 1.50 H new ATOM 0 HZ2 LYS C 256 16.677 7.112 8.246 1.00 1.50 H new ATOM 0 HZ3 LYS C 256 17.018 5.860 9.341 1.00 1.50 H new ATOM 2636 N TRP C 257 11.107 4.374 6.594 1.00 73.21 N ATOM 2637 CA TRP C 257 10.540 5.106 5.461 1.00 64.12 C ATOM 2638 C TRP C 257 9.080 4.781 5.271 1.00 33.23 C ATOM 2639 O TRP C 257 8.341 5.597 4.785 1.00 55.32 O ATOM 2640 CB TRP C 257 11.328 4.942 4.141 1.00 10.11 C ATOM 2641 CG TRP C 257 11.447 3.545 3.637 1.00 55.24 C ATOM 2642 CD1 TRP C 257 12.379 2.628 3.986 1.00 32.54 C ATOM 2643 CD2 TRP C 257 10.613 2.918 2.657 1.00 60.01 C ATOM 2644 NE1 TRP C 257 12.169 1.468 3.300 1.00 64.31 N ATOM 2645 CE2 TRP C 257 11.099 1.623 2.472 1.00 51.43 C ATOM 2646 CE3 TRP C 257 9.503 3.330 1.921 1.00 15.31 C ATOM 2647 CZ2 TRP C 257 10.520 0.731 1.580 1.00 23.00 C ATOM 2648 CZ3 TRP C 257 8.932 2.444 1.034 1.00 71.44 C ATOM 2649 CH2 TRP C 257 9.446 1.157 0.874 1.00 32.23 C ATOM 0 H TRP C 257 11.826 3.689 6.360 1.00 73.21 H new ATOM 0 HA TRP C 257 10.631 6.160 5.724 1.00 64.12 H new ATOM 0 HB2 TRP C 257 10.847 5.548 3.373 1.00 10.11 H new ATOM 0 HB3 TRP C 257 12.331 5.345 4.284 1.00 10.11 H new ATOM 0 HD1 TRP C 257 13.171 2.791 4.702 1.00 32.54 H new ATOM 0 HE1 TRP C 257 12.726 0.618 3.393 1.00 64.31 H new ATOM 0 HE3 TRP C 257 9.099 4.324 2.044 1.00 15.31 H new ATOM 0 HZ2 TRP C 257 10.912 -0.267 1.454 1.00 23.00 H new ATOM 0 HZ3 TRP C 257 8.074 2.750 0.454 1.00 71.44 H new ATOM 0 HH2 TRP C 257 8.976 0.485 0.171 1.00 32.23 H new ATOM 2660 N ILE C 258 8.681 3.587 5.685 1.00 2.42 N ATOM 2661 CA ILE C 258 7.291 3.164 5.618 1.00 33.35 C ATOM 2662 C ILE C 258 6.421 4.033 6.525 1.00 43.12 C ATOM 2663 O ILE C 258 5.376 4.510 6.099 1.00 13.43 O ATOM 2664 CB ILE C 258 7.124 1.648 5.966 1.00 13.13 C ATOM 2665 CG1 ILE C 258 7.737 0.765 4.861 1.00 43.23 C ATOM 2666 CG2 ILE C 258 5.662 1.290 6.186 1.00 32.13 C ATOM 2667 CD1 ILE C 258 7.039 0.924 3.540 1.00 71.12 C ATOM 0 H ILE C 258 9.311 2.886 6.076 1.00 2.42 H new ATOM 0 HA ILE C 258 6.957 3.295 4.589 1.00 33.35 H new ATOM 0 HB ILE C 258 7.659 1.459 6.897 1.00 13.13 H new ATOM 0 HG12 ILE C 258 8.791 1.016 4.743 1.00 43.23 H new ATOM 0 HG13 ILE C 258 7.691 -0.280 5.169 1.00 43.23 H new ATOM 0 HG21 ILE C 258 5.579 0.230 6.426 1.00 32.13 H new ATOM 0 HG22 ILE C 258 5.263 1.881 7.010 1.00 32.13 H new ATOM 0 HG23 ILE C 258 5.095 1.502 5.280 1.00 32.13 H new ATOM 0 HD11 ILE C 258 7.512 0.280 2.799 1.00 71.12 H new ATOM 0 HD12 ILE C 258 5.990 0.646 3.647 1.00 71.12 H new ATOM 0 HD13 ILE C 258 7.108 1.962 3.215 1.00 71.12 H new ATOM 2679 N GLN C 259 6.897 4.262 7.752 1.00 34.23 N ATOM 2680 CA GLN C 259 6.198 5.104 8.747 1.00 43.44 C ATOM 2681 C GLN C 259 5.873 6.448 8.130 1.00 11.34 C ATOM 2682 O GLN C 259 4.729 6.903 8.104 1.00 1.35 O ATOM 2683 CB GLN C 259 7.137 5.356 9.945 1.00 3.41 C ATOM 2684 CG GLN C 259 7.639 4.106 10.627 1.00 41.11 C ATOM 2685 CD GLN C 259 6.545 3.338 11.300 1.00 5.31 C ATOM 2686 OE1 GLN C 259 6.266 3.541 12.478 1.00 74.13 O ATOM 2687 NE2 GLN C 259 5.905 2.480 10.573 1.00 12.04 N ATOM 0 H GLN C 259 7.777 3.873 8.091 1.00 34.23 H new ATOM 0 HA GLN C 259 5.287 4.598 9.066 1.00 43.44 H new ATOM 0 HB2 GLN C 259 7.994 5.935 9.602 1.00 3.41 H new ATOM 0 HB3 GLN C 259 6.612 5.968 10.678 1.00 3.41 H new ATOM 0 HG2 GLN C 259 8.127 3.467 9.892 1.00 41.11 H new ATOM 0 HG3 GLN C 259 8.394 4.377 11.365 1.00 41.11 H new ATOM 0 HE21 GLN C 259 6.168 2.341 9.597 1.00 12.04 H new ATOM 0 HE22 GLN C 259 5.137 1.943 10.975 1.00 12.04 H new ATOM 2696 N GLU C 260 6.886 7.027 7.573 1.00 60.21 N ATOM 2697 CA GLU C 260 6.819 8.320 6.985 1.00 32.21 C ATOM 2698 C GLU C 260 6.065 8.314 5.674 1.00 32.51 C ATOM 2699 O GLU C 260 5.371 9.270 5.356 1.00 61.23 O ATOM 2700 CB GLU C 260 8.217 8.821 6.786 1.00 42.33 C ATOM 2701 CG GLU C 260 8.971 8.983 8.077 1.00 71.01 C ATOM 2702 CD GLU C 260 8.303 9.989 8.995 1.00 54.32 C ATOM 2703 OE1 GLU C 260 8.267 11.194 8.658 1.00 24.34 O ATOM 2704 OE2 GLU C 260 7.811 9.603 10.053 1.00 71.21 O ATOM 0 H GLU C 260 7.810 6.598 7.514 1.00 60.21 H new ATOM 0 HA GLU C 260 6.269 8.981 7.655 1.00 32.21 H new ATOM 0 HB2 GLU C 260 8.757 8.128 6.140 1.00 42.33 H new ATOM 0 HB3 GLU C 260 8.184 9.780 6.268 1.00 42.33 H new ATOM 0 HG2 GLU C 260 9.039 8.019 8.582 1.00 71.01 H new ATOM 0 HG3 GLU C 260 9.991 9.305 7.865 1.00 71.01 H new ATOM 2711 N TYR C 261 6.220 7.255 4.909 1.00 71.30 N ATOM 2712 CA TYR C 261 5.541 7.118 3.625 1.00 75.33 C ATOM 2713 C TYR C 261 4.041 7.060 3.849 1.00 73.32 C ATOM 2714 O TYR C 261 3.276 7.775 3.192 1.00 12.22 O ATOM 2715 CB TYR C 261 6.021 5.849 2.894 1.00 4.23 C ATOM 2716 CG TYR C 261 5.494 5.676 1.482 1.00 40.24 C ATOM 2717 CD1 TYR C 261 4.298 5.012 1.236 1.00 31.55 C ATOM 2718 CD2 TYR C 261 6.207 6.167 0.393 1.00 32.00 C ATOM 2719 CE1 TYR C 261 3.827 4.848 -0.048 1.00 72.54 C ATOM 2720 CE2 TYR C 261 5.744 6.004 -0.897 1.00 53.14 C ATOM 2721 CZ TYR C 261 4.550 5.341 -1.111 1.00 21.20 C ATOM 2722 OH TYR C 261 4.078 5.169 -2.391 1.00 54.32 O ATOM 0 H TYR C 261 6.816 6.464 5.152 1.00 71.30 H new ATOM 0 HA TYR C 261 5.779 7.981 3.003 1.00 75.33 H new ATOM 0 HB2 TYR C 261 7.110 5.860 2.859 1.00 4.23 H new ATOM 0 HB3 TYR C 261 5.730 4.979 3.482 1.00 4.23 H new ATOM 0 HD1 TYR C 261 3.729 4.618 2.065 1.00 31.55 H new ATOM 0 HD2 TYR C 261 7.140 6.685 0.560 1.00 32.00 H new ATOM 0 HE1 TYR C 261 2.893 4.334 -0.220 1.00 72.54 H new ATOM 0 HE2 TYR C 261 6.309 6.391 -1.732 1.00 53.14 H new ATOM 0 HH TYR C 261 4.703 5.575 -3.027 1.00 54.32 H new ATOM 2732 N LEU C 262 3.626 6.228 4.806 1.00 72.10 N ATOM 2733 CA LEU C 262 2.221 6.078 5.127 1.00 5.54 C ATOM 2734 C LEU C 262 1.672 7.386 5.637 1.00 3.11 C ATOM 2735 O LEU C 262 0.685 7.875 5.116 1.00 65.12 O ATOM 2736 CB LEU C 262 1.996 4.978 6.176 1.00 24.31 C ATOM 2737 CG LEU C 262 2.511 3.578 5.826 1.00 64.20 C ATOM 2738 CD1 LEU C 262 2.211 2.597 6.950 1.00 5.11 C ATOM 2739 CD2 LEU C 262 1.928 3.078 4.516 1.00 64.21 C ATOM 0 H LEU C 262 4.251 5.650 5.369 1.00 72.10 H new ATOM 0 HA LEU C 262 1.698 5.787 4.216 1.00 5.54 H new ATOM 0 HB2 LEU C 262 2.470 5.292 7.106 1.00 24.31 H new ATOM 0 HB3 LEU C 262 0.926 4.908 6.372 1.00 24.31 H new ATOM 0 HG LEU C 262 3.592 3.649 5.703 1.00 64.20 H new ATOM 0 HD11 LEU C 262 2.585 1.609 6.680 1.00 5.11 H new ATOM 0 HD12 LEU C 262 2.698 2.932 7.865 1.00 5.11 H new ATOM 0 HD13 LEU C 262 1.134 2.546 7.110 1.00 5.11 H new ATOM 0 HD21 LEU C 262 2.316 2.082 4.301 1.00 64.21 H new ATOM 0 HD22 LEU C 262 0.842 3.035 4.594 1.00 64.21 H new ATOM 0 HD23 LEU C 262 2.207 3.758 3.711 1.00 64.21 H new ATOM 2751 N GLU C 263 2.349 7.981 6.629 1.00 14.24 N ATOM 2752 CA GLU C 263 1.894 9.264 7.174 1.00 3.14 C ATOM 2753 C GLU C 263 1.830 10.405 6.147 1.00 63.41 C ATOM 2754 O GLU C 263 0.931 11.243 6.219 1.00 52.23 O ATOM 2755 CB GLU C 263 2.663 9.708 8.405 1.00 44.23 C ATOM 2756 CG GLU C 263 2.507 8.800 9.599 1.00 74.35 C ATOM 2757 CD GLU C 263 2.972 9.459 10.863 1.00 2.20 C ATOM 2758 OE1 GLU C 263 4.186 9.655 11.043 1.00 42.34 O ATOM 2759 OE2 GLU C 263 2.106 9.830 11.693 1.00 30.43 O ATOM 0 H GLU C 263 3.193 7.605 7.061 1.00 14.24 H new ATOM 0 HA GLU C 263 0.869 9.052 7.477 1.00 3.14 H new ATOM 0 HB2 GLU C 263 3.721 9.777 8.152 1.00 44.23 H new ATOM 0 HB3 GLU C 263 2.335 10.710 8.681 1.00 44.23 H new ATOM 0 HG2 GLU C 263 1.461 8.512 9.703 1.00 74.35 H new ATOM 0 HG3 GLU C 263 3.075 7.884 9.436 1.00 74.35 H new ATOM 2766 N LYS C 264 2.765 10.467 5.206 1.00 1.54 N ATOM 2767 CA LYS C 264 2.694 11.522 4.219 1.00 34.03 C ATOM 2768 C LYS C 264 1.567 11.307 3.223 1.00 52.42 C ATOM 2769 O LYS C 264 0.834 12.240 2.908 1.00 64.54 O ATOM 2770 CB LYS C 264 4.018 11.826 3.548 1.00 72.50 C ATOM 2771 CG LYS C 264 4.675 10.711 2.804 1.00 4.04 C ATOM 2772 CD LYS C 264 5.857 11.240 2.056 1.00 24.54 C ATOM 2773 CE LYS C 264 6.971 11.787 2.966 1.00 43.45 C ATOM 2774 NZ LYS C 264 7.555 10.762 3.869 1.00 44.32 N ATOM 0 H LYS C 264 3.550 9.823 5.110 1.00 1.54 H new ATOM 0 HA LYS C 264 2.450 12.425 4.779 1.00 34.03 H new ATOM 0 HB2 LYS C 264 3.863 12.651 2.853 1.00 72.50 H new ATOM 0 HB3 LYS C 264 4.711 12.178 4.312 1.00 72.50 H new ATOM 0 HG2 LYS C 264 4.989 9.932 3.498 1.00 4.04 H new ATOM 0 HG3 LYS C 264 3.967 10.255 2.112 1.00 4.04 H new ATOM 0 HD2 LYS C 264 6.267 10.445 1.433 1.00 24.54 H new ATOM 0 HD3 LYS C 264 5.526 12.033 1.385 1.00 24.54 H new ATOM 0 HE2 LYS C 264 7.763 12.207 2.346 1.00 43.45 H new ATOM 0 HE3 LYS C 264 6.570 12.603 3.567 1.00 43.45 H new ATOM 0 HZ1 LYS C 264 8.364 11.170 4.380 1.00 44.32 H new ATOM 0 HZ2 LYS C 264 6.835 10.451 4.552 1.00 44.32 H new ATOM 0 HZ3 LYS C 264 7.875 9.947 3.308 1.00 44.32 H new ATOM 2788 N CYS C 265 1.393 10.067 2.779 1.00 2.12 N ATOM 2789 CA CYS C 265 0.312 9.705 1.845 1.00 10.34 C ATOM 2790 C CYS C 265 -1.063 9.859 2.534 1.00 72.11 C ATOM 2791 O CYS C 265 -2.063 10.168 1.890 1.00 74.43 O ATOM 2792 CB CYS C 265 0.530 8.251 1.340 1.00 23.31 C ATOM 2793 SG CYS C 265 -0.754 7.584 0.204 1.00 43.15 S ATOM 0 H CYS C 265 1.988 9.284 3.049 1.00 2.12 H new ATOM 0 HA CYS C 265 0.330 10.376 0.986 1.00 10.34 H new ATOM 0 HB2 CYS C 265 1.493 8.206 0.832 1.00 23.31 H new ATOM 0 HB3 CYS C 265 0.595 7.593 2.207 1.00 23.31 H new ATOM 2798 N LEU C 266 -1.057 9.692 3.861 1.00 0.15 N ATOM 2799 CA LEU C 266 -2.228 9.761 4.726 1.00 13.31 C ATOM 2800 C LEU C 266 -2.893 11.147 4.627 1.00 1.41 C ATOM 2801 O LEU C 266 -4.122 11.272 4.744 1.00 13.24 O ATOM 2802 CB LEU C 266 -1.722 9.480 6.190 1.00 65.02 C ATOM 2803 CG LEU C 266 -2.724 9.171 7.339 1.00 21.31 C ATOM 2804 CD1 LEU C 266 -3.615 10.325 7.691 1.00 70.31 C ATOM 2805 CD2 LEU C 266 -3.541 7.977 6.992 1.00 31.44 C ATOM 0 H LEU C 266 -0.199 9.498 4.377 1.00 0.15 H new ATOM 0 HA LEU C 266 -2.980 9.030 4.431 1.00 13.31 H new ATOM 0 HB2 LEU C 266 -1.032 8.638 6.133 1.00 65.02 H new ATOM 0 HB3 LEU C 266 -1.140 10.348 6.499 1.00 65.02 H new ATOM 0 HG LEU C 266 -2.123 8.972 8.226 1.00 21.31 H new ATOM 0 HD11 LEU C 266 -4.285 10.034 8.499 1.00 70.31 H new ATOM 0 HD12 LEU C 266 -3.006 11.170 8.011 1.00 70.31 H new ATOM 0 HD13 LEU C 266 -4.202 10.611 6.818 1.00 70.31 H new ATOM 0 HD21 LEU C 266 -4.240 7.767 7.801 1.00 31.44 H new ATOM 0 HD22 LEU C 266 -4.096 8.170 6.074 1.00 31.44 H new ATOM 0 HD23 LEU C 266 -2.886 7.118 6.846 1.00 31.44 H new ATOM 2817 N ASN C 267 -2.098 12.181 4.391 1.00 62.33 N ATOM 2818 CA ASN C 267 -2.643 13.537 4.411 1.00 34.34 C ATOM 2819 C ASN C 267 -2.324 14.350 3.174 1.00 73.21 C ATOM 2820 O ASN C 267 -3.220 14.962 2.578 1.00 20.45 O ATOM 2821 CB ASN C 267 -2.195 14.285 5.672 1.00 22.51 C ATOM 2822 CG ASN C 267 -2.789 15.680 5.774 1.00 62.05 C ATOM 2823 OD1 ASN C 267 -2.211 16.654 5.296 1.00 32.21 O ATOM 2824 ND2 ASN C 267 -3.939 15.786 6.391 1.00 62.11 N ATOM 0 H ASN C 267 -1.100 12.116 4.188 1.00 62.33 H new ATOM 0 HA ASN C 267 -3.726 13.417 4.421 1.00 34.34 H new ATOM 0 HB2 ASN C 267 -2.481 13.708 6.552 1.00 22.51 H new ATOM 0 HB3 ASN C 267 -1.107 14.357 5.678 1.00 22.51 H new ATOM 0 HD21 ASN C 267 -4.384 16.699 6.487 1.00 62.11 H new ATOM 0 HD22 ASN C 267 -4.390 14.956 6.775 1.00 62.11 H new ATOM 3120 N GLY D 319 14.697 -12.825 3.775 1.00 11.13 N ATOM 3121 CA GLY D 319 14.729 -11.497 4.312 1.00 23.04 C ATOM 3122 C GLY D 319 16.120 -10.962 4.292 1.00 14.32 C ATOM 3123 O GLY D 319 17.018 -11.521 4.943 1.00 32.33 O ATOM 0 HA2 GLY D 319 14.074 -10.847 3.731 1.00 23.04 H new ATOM 0 HA3 GLY D 319 14.349 -11.502 5.334 1.00 23.04 H new ATOM 3127 N ASP D 320 16.324 -9.912 3.558 1.00 4.05 N ATOM 3128 CA ASP D 320 17.635 -9.332 3.425 1.00 53.33 C ATOM 3129 C ASP D 320 17.491 -7.796 3.443 1.00 31.03 C ATOM 3130 O ASP D 320 16.475 -7.291 3.942 1.00 51.30 O ATOM 3131 CB ASP D 320 18.250 -9.824 2.127 1.00 53.42 C ATOM 3132 CG ASP D 320 19.724 -9.506 1.988 1.00 12.01 C ATOM 3133 OD1 ASP D 320 20.554 -10.213 2.587 1.00 63.13 O ATOM 3134 OD2 ASP D 320 20.071 -8.522 1.307 1.00 55.42 O ATOM 0 H ASP D 320 15.593 -9.431 3.034 1.00 4.05 H new ATOM 0 HA ASP D 320 18.290 -9.626 4.246 1.00 53.33 H new ATOM 0 HB2 ASP D 320 18.113 -10.903 2.057 1.00 53.42 H new ATOM 0 HB3 ASP D 320 17.712 -9.380 1.290 1.00 53.42 H new ATOM 3163 N ASP D 322 19.362 -5.882 5.246 1.00 42.20 N ATOM 3164 CA ASP D 322 19.432 -5.800 6.713 1.00 20.12 C ATOM 3165 C ASP D 322 18.338 -6.611 7.346 1.00 62.11 C ATOM 3166 O ASP D 322 18.574 -7.397 8.257 1.00 32.04 O ATOM 3167 CB ASP D 322 19.405 -4.388 7.216 1.00 34.51 C ATOM 3168 CG ASP D 322 20.659 -3.616 6.878 1.00 43.13 C ATOM 3169 OD1 ASP D 322 20.808 -3.174 5.725 1.00 3.32 O ATOM 3170 OD2 ASP D 322 21.509 -3.439 7.763 1.00 71.54 O ATOM 0 HA ASP D 322 20.395 -6.220 7.004 1.00 20.12 H new ATOM 0 HB2 ASP D 322 18.543 -3.874 6.791 1.00 34.51 H new ATOM 0 HB3 ASP D 322 19.271 -4.396 8.298 1.00 34.51 H new ATOM 3175 N SER D 323 17.143 -6.384 6.868 1.00 3.22 N ATOM 3176 CA SER D 323 15.978 -7.149 7.188 1.00 64.24 C ATOM 3177 C SER D 323 15.328 -6.876 8.568 1.00 40.04 C ATOM 3178 O SER D 323 14.160 -7.197 8.755 1.00 73.33 O ATOM 3179 CB SER D 323 16.212 -8.638 6.845 1.00 43.23 C ATOM 3180 OG SER D 323 15.126 -9.476 7.215 1.00 44.44 O ATOM 0 H SER D 323 16.952 -5.624 6.215 1.00 3.22 H new ATOM 0 HA SER D 323 15.182 -6.782 6.540 1.00 64.24 H new ATOM 0 HB2 SER D 323 16.388 -8.734 5.774 1.00 43.23 H new ATOM 0 HB3 SER D 323 17.116 -8.982 7.348 1.00 43.23 H new ATOM 0 HG SER D 323 14.280 -9.016 7.031 1.00 44.44 H new ATOM 3186 N MET D 324 16.047 -6.284 9.515 1.00 25.45 N ATOM 3187 CA MET D 324 15.418 -5.946 10.810 1.00 44.31 C ATOM 3188 C MET D 324 15.858 -4.618 11.398 1.00 53.52 C ATOM 3189 O MET D 324 17.015 -4.448 11.779 1.00 61.11 O ATOM 3190 CB MET D 324 15.537 -7.061 11.866 1.00 63.14 C ATOM 3191 CG MET D 324 14.680 -8.276 11.594 1.00 31.23 C ATOM 3192 SD MET D 324 14.765 -9.502 12.906 1.00 74.21 S ATOM 3193 CE MET D 324 13.590 -10.704 12.287 1.00 73.51 C ATOM 0 H MET D 324 17.031 -6.031 9.429 1.00 25.45 H new ATOM 0 HA MET D 324 14.365 -5.843 10.548 1.00 44.31 H new ATOM 0 HB2 MET D 324 16.579 -7.374 11.930 1.00 63.14 H new ATOM 0 HB3 MET D 324 15.267 -6.652 12.840 1.00 63.14 H new ATOM 0 HG2 MET D 324 13.644 -7.962 11.464 1.00 31.23 H new ATOM 0 HG3 MET D 324 14.994 -8.733 10.656 1.00 31.23 H new ATOM 0 HE1 MET D 324 13.520 -11.538 12.986 1.00 73.51 H new ATOM 0 HE2 MET D 324 12.611 -10.236 12.182 1.00 73.51 H new ATOM 0 HE3 MET D 324 13.923 -11.071 11.316 1.00 73.51 H new ATOM 3203 N LYS D 325 14.913 -3.683 11.448 1.00 32.13 N ATOM 3204 CA LYS D 325 15.042 -2.390 12.102 1.00 4.33 C ATOM 3205 C LYS D 325 13.673 -1.916 12.561 1.00 74.45 C ATOM 3206 O LYS D 325 12.655 -2.230 11.934 1.00 30.52 O ATOM 3207 CB LYS D 325 15.687 -1.297 11.230 1.00 75.53 C ATOM 3208 CG LYS D 325 17.184 -1.399 11.009 1.00 24.34 C ATOM 3209 CD LYS D 325 17.938 -1.268 12.328 1.00 54.04 C ATOM 3210 CE LYS D 325 17.778 0.099 13.023 1.00 1.13 C ATOM 3211 NZ LYS D 325 18.314 1.233 12.230 1.00 21.32 N ATOM 0 H LYS D 325 13.999 -3.814 11.015 1.00 32.13 H new ATOM 0 HA LYS D 325 15.716 -2.547 12.945 1.00 4.33 H new ATOM 0 HB2 LYS D 325 15.198 -1.306 10.256 1.00 75.53 H new ATOM 0 HB3 LYS D 325 15.475 -0.329 11.685 1.00 75.53 H new ATOM 0 HG2 LYS D 325 17.423 -2.355 10.542 1.00 24.34 H new ATOM 0 HG3 LYS D 325 17.508 -0.618 10.321 1.00 24.34 H new ATOM 0 HD2 LYS D 325 17.595 -2.049 13.007 1.00 54.04 H new ATOM 0 HD3 LYS D 325 18.998 -1.447 12.146 1.00 54.04 H new ATOM 0 HE2 LYS D 325 16.721 0.274 13.224 1.00 1.13 H new ATOM 0 HE3 LYS D 325 18.285 0.069 13.987 1.00 1.13 H new ATOM 0 HZ1 LYS D 325 18.174 2.120 12.755 1.00 21.32 H new ATOM 0 HZ2 LYS D 325 19.330 1.088 12.059 1.00 21.32 H new ATOM 0 HZ3 LYS D 325 17.814 1.287 11.320 1.00 21.32 H new ATOM 3225 N GLU D 326 13.655 -1.184 13.639 1.00 14.03 N ATOM 3226 CA GLU D 326 12.432 -0.649 14.200 1.00 34.51 C ATOM 3227 C GLU D 326 12.242 0.814 13.768 1.00 40.44 C ATOM 3228 O GLU D 326 13.223 1.478 13.390 1.00 71.52 O ATOM 3229 CB GLU D 326 12.472 -0.791 15.725 1.00 75.52 C ATOM 3230 CG GLU D 326 13.671 -0.136 16.378 1.00 33.22 C ATOM 3231 CD GLU D 326 13.694 -0.365 17.857 1.00 34.54 C ATOM 3232 OE1 GLU D 326 14.171 -1.443 18.286 1.00 63.34 O ATOM 3233 OE2 GLU D 326 13.233 0.503 18.611 1.00 25.50 O ATOM 0 H GLU D 326 14.494 -0.936 14.163 1.00 14.03 H new ATOM 0 HA GLU D 326 11.576 -1.210 13.825 1.00 34.51 H new ATOM 0 HB2 GLU D 326 11.563 -0.358 16.143 1.00 75.52 H new ATOM 0 HB3 GLU D 326 12.467 -1.851 15.980 1.00 75.52 H new ATOM 0 HG2 GLU D 326 14.586 -0.530 15.935 1.00 33.22 H new ATOM 0 HG3 GLU D 326 13.654 0.935 16.176 1.00 33.22 H new ATOM 3240 N PRO D 327 10.987 1.331 13.793 1.00 15.05 N ATOM 3241 CA PRO D 327 10.666 2.702 13.386 1.00 34.44 C ATOM 3242 C PRO D 327 11.465 3.755 14.129 1.00 50.04 C ATOM 3243 O PRO D 327 11.833 3.588 15.288 1.00 13.31 O ATOM 3244 CB PRO D 327 9.179 2.850 13.759 1.00 61.22 C ATOM 3245 CG PRO D 327 8.926 1.743 14.706 1.00 15.03 C ATOM 3246 CD PRO D 327 9.766 0.627 14.205 1.00 25.32 C ATOM 0 HA PRO D 327 10.895 2.853 12.331 1.00 34.44 H new ATOM 0 HB2 PRO D 327 8.979 3.819 14.217 1.00 61.22 H new ATOM 0 HB3 PRO D 327 8.539 2.775 12.880 1.00 61.22 H new ATOM 0 HG2 PRO D 327 9.200 2.021 15.724 1.00 15.03 H new ATOM 0 HG3 PRO D 327 7.871 1.469 14.724 1.00 15.03 H new ATOM 0 HD2 PRO D 327 9.963 -0.115 14.978 1.00 25.32 H new ATOM 0 HD3 PRO D 327 9.296 0.103 13.373 1.00 25.32 H new