USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 160:sc= 0.767 USER MOD Set 1.2: A 121 LYS NZ :NH3+ 165:sc= 0.88 (180deg=0) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 THR OG1 : rot -70:sc= 0.353 USER MOD Set 2.3: A 111 ASN :FLIP amide:sc= 0.307 F(o=0,f=0.66) USER MOD Single : A 4 SER OG : rot 180:sc= 0.344 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 179:sc= 0.151 USER MOD Single : A 8 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.052) USER MOD Single : A 10 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 14 ASN : amide:sc= 0.473 X(o=0.47,f=-0.018) USER MOD Single : A 19 MET CE :methyl -171:sc= 0 (180deg=-0.164) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.0221 (180deg=-1.05) USER MOD Single : A 30 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.057) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc=-0.00909 (180deg=-0.172) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0.511 (180deg=0.407) USER MOD Single : A 39 SER OG : rot 21:sc= 0.428 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 44 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0.244 (180deg=0.211) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 145:sc= 0.077 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.00151 F(o=-1.1,f=0.0015) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 172:sc= 0.42 USER MOD Single : A 73 THR OG1 : rot 87:sc= 0.234 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0482 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0.0723 (180deg=0.0722) USER MOD Single : A 81 THR OG1 : rot 39:sc= 0.18 USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0548 X(o=-0.055,f=-0.055) USER MOD Single : A 90 LYS NZ :NH3+ -134:sc= 0.962 (180deg=0.0467) USER MOD Single : A 93 THR OG1 : rot 55:sc= 0.701 USER MOD Single : A 94 THR OG1 : rot 36:sc= 0.083 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 168:sc= -0.08 (180deg=-0.272) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 3 5.692 -12.452 -4.593 1.00 51.23 N ATOM 158 CA PHE A 3 5.661 -11.091 -4.062 1.00 34.33 C ATOM 159 C PHE A 3 6.983 -10.612 -3.433 1.00 42.54 C ATOM 160 O PHE A 3 7.217 -9.407 -3.427 1.00 61.34 O ATOM 161 CB PHE A 3 4.498 -10.980 -3.059 1.00 42.50 C ATOM 162 CG PHE A 3 3.119 -10.791 -3.658 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.657 -9.494 -3.967 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.338 -11.906 -4.035 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.408 -9.323 -4.548 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.092 -11.713 -4.616 1.00 20.11 C ATOM 167 CZ PHE A 3 0.623 -10.427 -4.852 1.00 13.10 C ATOM 0 HA PHE A 3 5.510 -10.423 -4.910 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.486 -11.881 -2.446 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.700 -10.143 -2.391 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.275 -8.635 -3.752 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.710 -12.907 -3.872 1.00 61.21 H new ATOM 0 HE1 PHE A 3 1.046 -8.329 -4.764 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.486 -12.565 -4.885 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.360 -10.285 -5.275 1.00 13.10 H new ATOM 177 N SER A 4 7.808 -11.537 -2.913 1.00 10.11 N ATOM 178 CA SER A 4 9.044 -11.241 -2.182 1.00 51.31 C ATOM 179 C SER A 4 10.128 -10.574 -3.057 1.00 52.21 C ATOM 180 O SER A 4 10.561 -11.186 -4.033 1.00 3.23 O ATOM 181 CB SER A 4 9.570 -12.541 -1.544 1.00 73.10 C ATOM 182 OG SER A 4 8.790 -12.886 -0.416 1.00 35.45 O ATOM 0 H SER A 4 7.625 -12.537 -2.994 1.00 10.11 H new ATOM 0 HA SER A 4 8.806 -10.511 -1.408 1.00 51.31 H new ATOM 0 HB2 SER A 4 9.542 -13.349 -2.275 1.00 73.10 H new ATOM 0 HB3 SER A 4 10.612 -12.414 -1.249 1.00 73.10 H new ATOM 0 HG SER A 4 9.134 -13.715 -0.021 1.00 35.45 H new ATOM 188 N GLY A 5 10.563 -9.361 -2.672 1.00 0.50 N ATOM 189 CA GLY A 5 11.619 -8.605 -3.353 1.00 50.05 C ATOM 190 C GLY A 5 11.490 -7.102 -3.055 1.00 70.14 C ATOM 191 O GLY A 5 10.543 -6.666 -2.399 1.00 2.24 O ATOM 0 H GLY A 5 10.180 -8.873 -1.862 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.596 -8.963 -3.028 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.559 -8.774 -4.428 1.00 50.05 H new ATOM 195 N LYS A 6 12.457 -6.310 -3.559 1.00 53.11 N ATOM 196 CA LYS A 6 12.503 -4.848 -3.424 1.00 33.32 C ATOM 197 C LYS A 6 12.377 -4.188 -4.810 1.00 2.31 C ATOM 198 O LYS A 6 12.880 -4.734 -5.791 1.00 51.24 O ATOM 199 CB LYS A 6 13.818 -4.429 -2.733 1.00 34.34 C ATOM 200 CG LYS A 6 13.751 -3.020 -2.101 1.00 41.11 C ATOM 201 CD LYS A 6 15.108 -2.318 -1.980 1.00 73.43 C ATOM 202 CE LYS A 6 16.148 -3.050 -1.125 1.00 73.45 C ATOM 203 NZ LYS A 6 17.410 -2.291 -1.086 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.247 -6.684 -4.085 1.00 53.11 H new ATOM 0 HA LYS A 6 11.667 -4.514 -2.809 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.062 -5.156 -1.959 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.628 -4.455 -3.462 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.085 -2.398 -2.699 1.00 41.11 H new ATOM 0 HG3 LYS A 6 13.307 -3.100 -1.109 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.517 -2.178 -2.981 1.00 73.43 H new ATOM 0 HD3 LYS A 6 14.949 -1.325 -1.559 1.00 73.43 H new ATOM 0 HE2 LYS A 6 15.766 -3.184 -0.113 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.327 -4.045 -1.533 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.104 -2.801 -0.503 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 17.781 -2.185 -2.052 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.237 -1.351 -0.676 1.00 41.11 H new ATOM 217 N TYR A 7 11.696 -3.030 -4.845 1.00 32.11 N ATOM 218 CA TYR A 7 11.271 -2.314 -6.049 1.00 30.14 C ATOM 219 C TYR A 7 11.461 -0.798 -5.861 1.00 32.15 C ATOM 220 O TYR A 7 11.153 -0.285 -4.789 1.00 20.05 O ATOM 221 CB TYR A 7 9.772 -2.605 -6.316 1.00 54.11 C ATOM 222 CG TYR A 7 9.340 -4.062 -6.260 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.302 -4.840 -7.433 1.00 22.53 C ATOM 224 CD2 TYR A 7 8.954 -4.642 -5.031 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.891 -6.185 -7.385 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.542 -5.986 -4.982 1.00 13.51 C ATOM 227 CZ TYR A 7 8.497 -6.754 -6.160 1.00 23.13 C ATOM 228 OH TYR A 7 8.045 -8.040 -6.117 1.00 1.12 O ATOM 0 H TYR A 7 11.416 -2.549 -3.990 1.00 32.11 H new ATOM 0 HA TYR A 7 11.875 -2.650 -6.892 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.182 -2.047 -5.589 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.519 -2.212 -7.301 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.590 -4.401 -8.377 1.00 22.53 H new ATOM 0 HD2 TYR A 7 8.975 -4.052 -4.127 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.878 -6.779 -8.287 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.260 -6.429 -4.038 1.00 13.51 H new ATOM 0 HH TYR A 7 7.831 -8.281 -5.191 1.00 1.12 H new ATOM 238 N GLN A 8 11.900 -0.096 -6.916 1.00 12.25 N ATOM 239 CA GLN A 8 11.977 1.372 -6.981 1.00 23.23 C ATOM 240 C GLN A 8 10.738 1.924 -7.710 1.00 74.20 C ATOM 241 O GLN A 8 10.209 1.234 -8.578 1.00 23.14 O ATOM 242 CB GLN A 8 13.285 1.758 -7.711 1.00 44.44 C ATOM 243 CG GLN A 8 13.341 1.409 -9.219 1.00 54.44 C ATOM 244 CD GLN A 8 14.697 0.866 -9.663 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.724 1.517 -9.483 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.710 -0.332 -10.254 1.00 32.20 N ATOM 0 H GLN A 8 12.221 -0.547 -7.773 1.00 12.25 H new ATOM 0 HA GLN A 8 11.990 1.805 -5.981 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.438 2.831 -7.599 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.118 1.263 -7.211 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.571 0.671 -9.443 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.106 2.301 -9.800 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.838 -0.845 -10.387 1.00 32.20 H new ATOM 0 HE22 GLN A 8 15.592 -0.734 -10.572 1.00 32.20 H new ATOM 255 N LEU A 9 10.327 3.170 -7.401 1.00 12.01 N ATOM 256 CA LEU A 9 9.290 3.889 -8.159 1.00 44.41 C ATOM 257 C LEU A 9 9.737 4.183 -9.598 1.00 23.42 C ATOM 258 O LEU A 9 10.906 4.488 -9.832 1.00 10.44 O ATOM 259 CB LEU A 9 8.880 5.209 -7.456 1.00 53.02 C ATOM 260 CG LEU A 9 7.549 5.132 -6.684 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.337 6.400 -5.831 1.00 2.25 C ATOM 262 CD2 LEU A 9 6.351 4.867 -7.624 1.00 32.31 C ATOM 0 H LEU A 9 10.706 3.704 -6.619 1.00 12.01 H new ATOM 0 HA LEU A 9 8.422 3.231 -8.196 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.671 5.499 -6.764 1.00 53.02 H new ATOM 0 HB3 LEU A 9 8.807 5.998 -8.205 1.00 53.02 H new ATOM 0 HG LEU A 9 7.608 4.280 -6.007 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.391 6.324 -5.295 1.00 2.25 H new ATOM 0 HD12 LEU A 9 8.153 6.498 -5.115 1.00 2.25 H new ATOM 0 HD13 LEU A 9 7.317 7.276 -6.480 1.00 2.25 H new ATOM 0 HD21 LEU A 9 5.433 4.820 -7.039 1.00 32.31 H new ATOM 0 HD22 LEU A 9 6.276 5.673 -8.354 1.00 32.31 H new ATOM 0 HD23 LEU A 9 6.499 3.920 -8.144 1.00 32.31 H new ATOM 274 N GLN A 10 8.766 4.099 -10.517 1.00 4.02 N ATOM 275 CA GLN A 10 8.926 4.367 -11.941 1.00 40.12 C ATOM 276 C GLN A 10 8.004 5.528 -12.331 1.00 25.41 C ATOM 277 O GLN A 10 8.505 6.569 -12.756 1.00 51.02 O ATOM 278 CB GLN A 10 8.606 3.086 -12.752 1.00 23.21 C ATOM 279 CG GLN A 10 9.496 1.868 -12.431 1.00 11.14 C ATOM 280 CD GLN A 10 10.930 2.002 -12.940 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.251 1.525 -14.024 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.807 2.631 -12.155 1.00 4.53 N ATOM 0 H GLN A 10 7.812 3.832 -10.273 1.00 4.02 H new ATOM 0 HA GLN A 10 9.955 4.651 -12.164 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.566 2.813 -12.575 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.699 3.314 -13.814 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.516 1.719 -11.351 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.047 0.976 -12.868 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.506 3.016 -11.260 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.779 2.727 -12.450 1.00 4.53 H new ATOM 291 N SER A 11 6.687 5.333 -12.157 1.00 2.22 N ATOM 292 CA SER A 11 5.646 6.291 -12.535 1.00 31.44 C ATOM 293 C SER A 11 4.603 6.421 -11.417 1.00 60.01 C ATOM 294 O SER A 11 4.465 5.526 -10.584 1.00 44.20 O ATOM 295 CB SER A 11 4.986 5.831 -13.853 1.00 33.23 C ATOM 296 OG SER A 11 5.857 6.037 -14.946 1.00 42.42 O ATOM 0 H SER A 11 6.311 4.482 -11.739 1.00 2.22 H new ATOM 0 HA SER A 11 6.095 7.273 -12.686 1.00 31.44 H new ATOM 0 HB2 SER A 11 4.723 4.775 -13.785 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.058 6.381 -14.012 1.00 33.23 H new ATOM 0 HG SER A 11 5.422 5.738 -15.772 1.00 42.42 H new ATOM 302 N GLN A 12 3.879 7.550 -11.440 1.00 33.41 N ATOM 303 CA GLN A 12 2.742 7.856 -10.569 1.00 74.33 C ATOM 304 C GLN A 12 1.708 8.652 -11.376 1.00 1.03 C ATOM 305 O GLN A 12 2.057 9.229 -12.409 1.00 32.25 O ATOM 306 CB GLN A 12 3.198 8.686 -9.346 1.00 61.21 C ATOM 307 CG GLN A 12 4.266 8.006 -8.476 1.00 23.43 C ATOM 308 CD GLN A 12 4.491 8.729 -7.151 1.00 73.02 C ATOM 309 OE1 GLN A 12 4.082 8.239 -6.101 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.146 9.892 -7.190 1.00 11.21 N ATOM 0 H GLN A 12 4.081 8.305 -12.095 1.00 33.41 H new ATOM 0 HA GLN A 12 2.305 6.925 -10.206 1.00 74.33 H new ATOM 0 HB2 GLN A 12 3.588 9.642 -9.697 1.00 61.21 H new ATOM 0 HB3 GLN A 12 2.328 8.904 -8.727 1.00 61.21 H new ATOM 0 HG2 GLN A 12 3.967 6.977 -8.278 1.00 23.43 H new ATOM 0 HG3 GLN A 12 5.206 7.964 -9.027 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.470 10.265 -8.082 1.00 11.21 H new ATOM 0 HE22 GLN A 12 5.323 10.407 -6.327 1.00 11.21 H new ATOM 319 N GLU A 13 0.463 8.710 -10.876 1.00 43.44 N ATOM 320 CA GLU A 13 -0.589 9.540 -11.465 1.00 42.23 C ATOM 321 C GLU A 13 -1.652 9.848 -10.401 1.00 20.52 C ATOM 322 O GLU A 13 -1.968 8.975 -9.596 1.00 74.05 O ATOM 323 CB GLU A 13 -1.140 8.867 -12.741 1.00 15.01 C ATOM 324 CG GLU A 13 -1.825 9.846 -13.706 1.00 12.24 C ATOM 325 CD GLU A 13 -1.977 9.228 -15.095 1.00 45.31 C ATOM 326 OE1 GLU A 13 -2.700 8.214 -15.195 1.00 24.51 O ATOM 327 OE2 GLU A 13 -1.341 9.766 -16.027 1.00 1.35 O1- ATOM 0 H GLU A 13 0.163 8.184 -10.056 1.00 43.44 H new ATOM 0 HA GLU A 13 -0.192 10.503 -11.788 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -0.322 8.370 -13.262 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -1.853 8.094 -12.455 1.00 15.01 H new ATOM 0 HG2 GLU A 13 -2.805 10.120 -13.317 1.00 12.24 H new ATOM 0 HG3 GLU A 13 -1.241 10.764 -13.774 1.00 12.24 H new ATOM 334 N ASN A 14 -2.129 11.107 -10.386 1.00 43.13 N ATOM 335 CA ASN A 14 -2.912 11.736 -9.304 1.00 52.34 C ATOM 336 C ASN A 14 -2.147 11.772 -7.963 1.00 34.24 C ATOM 337 O ASN A 14 -2.785 11.750 -6.911 1.00 23.21 O ATOM 338 CB ASN A 14 -4.322 11.098 -9.152 1.00 31.51 C ATOM 339 CG ASN A 14 -5.263 11.375 -10.325 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.509 12.529 -10.666 1.00 10.54 O ATOM 341 ND2 ASN A 14 -5.823 10.321 -10.919 1.00 73.45 N ATOM 0 H ASN A 14 -1.971 11.745 -11.166 1.00 43.13 H new ATOM 0 HA ASN A 14 -3.064 12.774 -9.602 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -4.211 10.020 -9.037 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.781 11.471 -8.236 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.482 10.458 -11.686 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -5.593 9.378 -10.607 1.00 73.45 H new ATOM 348 N PHE A 15 -0.802 11.853 -8.012 1.00 24.15 N ATOM 349 CA PHE A 15 0.057 11.970 -6.832 1.00 23.43 C ATOM 350 C PHE A 15 -0.232 13.240 -6.021 1.00 74.11 C ATOM 351 O PHE A 15 -0.567 13.130 -4.843 1.00 1.01 O ATOM 352 CB PHE A 15 1.549 11.821 -7.210 1.00 2.23 C ATOM 353 CG PHE A 15 2.528 12.091 -6.075 1.00 74.31 C ATOM 354 CD1 PHE A 15 2.794 11.093 -5.114 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.018 13.393 -5.853 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.587 11.378 -4.013 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.780 13.667 -4.726 1.00 71.40 C ATOM 358 CZ PHE A 15 4.073 12.663 -3.815 1.00 21.22 C ATOM 0 H PHE A 15 -0.281 11.838 -8.889 1.00 24.15 H new ATOM 0 HA PHE A 15 -0.185 11.140 -6.168 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.716 10.810 -7.581 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.771 12.503 -8.031 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.379 10.104 -5.236 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.800 14.179 -6.561 1.00 63.41 H new ATOM 0 HE1 PHE A 15 3.827 10.597 -3.307 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.147 14.669 -4.557 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.681 12.882 -2.949 1.00 21.22 H new ATOM 368 N GLU A 16 -0.126 14.408 -6.679 1.00 41.43 N ATOM 369 CA GLU A 16 -0.392 15.711 -6.071 1.00 0.21 C ATOM 370 C GLU A 16 -1.856 15.861 -5.635 1.00 40.14 C ATOM 371 O GLU A 16 -2.090 16.307 -4.517 1.00 50.12 O ATOM 372 CB GLU A 16 0.023 16.853 -7.018 1.00 62.30 C ATOM 373 CG GLU A 16 1.516 16.834 -7.394 1.00 34.23 C ATOM 374 CD GLU A 16 1.903 18.069 -8.204 1.00 35.45 C ATOM 375 OE1 GLU A 16 2.392 19.031 -7.573 1.00 2.32 O ATOM 376 OE2 GLU A 16 1.697 18.027 -9.436 1.00 14.32 O1- ATOM 0 H GLU A 16 0.150 14.468 -7.659 1.00 41.43 H new ATOM 0 HA GLU A 16 0.216 15.774 -5.168 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.573 16.792 -7.929 1.00 62.30 H new ATOM 0 HB3 GLU A 16 -0.212 17.807 -6.547 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.120 16.787 -6.488 1.00 34.23 H new ATOM 0 HG3 GLU A 16 1.736 15.935 -7.970 1.00 34.23 H new ATOM 383 N ALA A 17 -2.806 15.432 -6.488 1.00 41.43 N ATOM 384 CA ALA A 17 -4.246 15.443 -6.212 1.00 64.44 C ATOM 385 C ALA A 17 -4.630 14.688 -4.928 1.00 21.15 C ATOM 386 O ALA A 17 -5.345 15.245 -4.097 1.00 52.04 O ATOM 387 CB ALA A 17 -5.001 14.878 -7.426 1.00 51.43 C ATOM 0 H ALA A 17 -2.582 15.059 -7.411 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.535 16.480 -6.040 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -6.072 14.885 -7.224 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.793 15.492 -8.302 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.674 13.855 -7.614 1.00 51.43 H new ATOM 393 N PHE A 18 -4.094 13.466 -4.773 1.00 53.03 N ATOM 394 CA PHE A 18 -4.266 12.619 -3.596 1.00 1.40 C ATOM 395 C PHE A 18 -3.602 13.188 -2.335 1.00 42.54 C ATOM 396 O PHE A 18 -4.248 13.209 -1.292 1.00 24.03 O ATOM 397 CB PHE A 18 -3.780 11.196 -3.933 1.00 72.24 C ATOM 398 CG PHE A 18 -3.802 10.165 -2.812 1.00 64.31 C ATOM 399 CD1 PHE A 18 -2.704 10.045 -1.931 1.00 12.40 C ATOM 400 CD2 PHE A 18 -4.965 9.409 -2.562 1.00 3.02 C ATOM 401 CE1 PHE A 18 -2.764 9.160 -0.863 1.00 31.44 C ATOM 402 CE2 PHE A 18 -5.000 8.521 -1.496 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.908 8.406 -0.644 1.00 41.52 C ATOM 0 H PHE A 18 -3.512 13.033 -5.490 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.327 12.585 -3.347 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.391 10.816 -4.752 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.758 11.268 -4.305 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -1.818 10.642 -2.088 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -5.829 9.521 -3.200 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -1.917 9.058 -0.200 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -5.879 7.917 -1.328 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.950 7.726 0.194 1.00 41.52 H new ATOM 413 N MET A 19 -2.340 13.638 -2.452 1.00 55.30 N ATOM 414 CA MET A 19 -1.543 14.155 -1.337 1.00 10.14 C ATOM 415 C MET A 19 -2.058 15.488 -0.768 1.00 23.02 C ATOM 416 O MET A 19 -2.008 15.664 0.448 1.00 25.41 O ATOM 417 CB MET A 19 -0.062 14.246 -1.737 1.00 3.32 C ATOM 418 CG MET A 19 0.645 12.890 -1.899 1.00 44.32 C ATOM 419 SD MET A 19 0.871 11.976 -0.351 1.00 31.24 S ATOM 420 CE MET A 19 1.821 10.558 -0.948 1.00 45.12 C ATOM 0 H MET A 19 -1.841 13.651 -3.342 1.00 55.30 H new ATOM 0 HA MET A 19 -1.649 13.439 -0.522 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.013 14.794 -2.676 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.468 14.829 -0.984 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.070 12.274 -2.590 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.621 13.055 -2.356 1.00 44.32 H new ATOM 0 HE1 MET A 19 1.907 9.817 -0.153 1.00 45.12 H new ATOM 0 HE2 MET A 19 1.313 10.114 -1.804 1.00 45.12 H new ATOM 0 HE3 MET A 19 2.816 10.887 -1.247 1.00 45.12 H new ATOM 430 N LYS A 20 -2.588 16.378 -1.625 1.00 5.12 N ATOM 431 CA LYS A 20 -3.282 17.599 -1.202 1.00 70.21 C ATOM 432 C LYS A 20 -4.655 17.296 -0.565 1.00 45.31 C ATOM 433 O LYS A 20 -5.060 18.039 0.328 1.00 54.35 O ATOM 434 CB LYS A 20 -3.423 18.581 -2.390 1.00 21.54 C ATOM 435 CG LYS A 20 -2.096 19.106 -2.990 1.00 73.32 C ATOM 436 CD LYS A 20 -1.220 20.027 -2.119 1.00 31.42 C ATOM 437 CE LYS A 20 -1.662 21.495 -2.032 1.00 14.14 C ATOM 438 NZ LYS A 20 -2.846 21.674 -1.181 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.544 16.266 -2.638 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.674 18.072 -0.431 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.987 18.087 -3.181 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -4.015 19.436 -2.063 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -1.494 18.243 -3.273 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -2.335 19.643 -3.908 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -1.190 19.617 -1.109 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -0.201 19.998 -2.506 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -0.842 22.096 -1.640 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -1.878 21.866 -3.034 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 -2.835 22.628 -0.768 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 -3.706 21.554 -1.753 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 -2.836 20.966 -0.419 1.00 71.41 H new ATOM 452 N ALA A 21 -5.323 16.210 -1.000 1.00 70.25 N ATOM 453 CA ALA A 21 -6.598 15.742 -0.447 1.00 31.14 C ATOM 454 C ALA A 21 -6.467 15.099 0.945 1.00 31.42 C ATOM 455 O ALA A 21 -7.338 15.345 1.781 1.00 52.22 O ATOM 456 CB ALA A 21 -7.290 14.792 -1.436 1.00 4.31 C ATOM 0 H ALA A 21 -4.980 15.625 -1.762 1.00 70.25 H new ATOM 0 HA ALA A 21 -7.219 16.626 -0.303 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -8.235 14.452 -1.013 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.479 15.317 -2.373 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.647 13.932 -1.625 1.00 4.31 H new ATOM 462 N ILE A 22 -5.383 14.339 1.195 1.00 64.42 N ATOM 463 CA ILE A 22 -5.043 13.813 2.526 1.00 53.33 C ATOM 464 C ILE A 22 -4.269 14.821 3.413 1.00 74.23 C ATOM 465 O ILE A 22 -4.020 14.516 4.579 1.00 51.23 O ATOM 466 CB ILE A 22 -4.293 12.447 2.484 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.936 12.444 1.751 1.00 63.24 C ATOM 468 CG2 ILE A 22 -5.194 11.331 1.936 1.00 10.14 C ATOM 469 CD1 ILE A 22 -2.003 11.315 2.210 1.00 61.52 C ATOM 0 H ILE A 22 -4.715 14.072 0.471 1.00 64.42 H new ATOM 0 HA ILE A 22 -6.014 13.642 2.992 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.049 12.256 3.529 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -3.110 12.350 0.679 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.442 13.402 1.911 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.641 10.392 1.920 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -6.071 11.225 2.575 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -5.511 11.583 0.924 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -1.066 11.369 1.656 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.801 11.421 3.276 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.479 10.352 2.025 1.00 61.52 H new ATOM 481 N GLY A 23 -3.974 16.023 2.884 1.00 43.03 N ATOM 482 CA GLY A 23 -3.550 17.181 3.671 1.00 24.22 C ATOM 483 C GLY A 23 -2.067 17.162 4.064 1.00 33.24 C ATOM 484 O GLY A 23 -1.720 17.742 5.092 1.00 54.20 O ATOM 0 H GLY A 23 -4.026 16.213 1.883 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.752 18.088 3.101 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -4.154 17.232 4.577 1.00 24.22 H new ATOM 488 N LEU A 24 -1.197 16.515 3.269 1.00 41.30 N ATOM 489 CA LEU A 24 0.261 16.506 3.458 1.00 1.32 C ATOM 490 C LEU A 24 0.859 17.914 3.233 1.00 71.32 C ATOM 491 O LEU A 24 0.339 18.650 2.390 1.00 51.04 O ATOM 492 CB LEU A 24 0.889 15.485 2.471 1.00 61.22 C ATOM 493 CG LEU A 24 1.042 14.040 3.010 1.00 65.05 C ATOM 494 CD1 LEU A 24 2.398 13.778 3.692 1.00 2.04 C ATOM 495 CD2 LEU A 24 -0.123 13.572 3.893 1.00 64.15 C ATOM 0 H LEU A 24 -1.497 15.972 2.459 1.00 41.30 H new ATOM 0 HA LEU A 24 0.487 16.214 4.484 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.277 15.455 1.570 1.00 61.22 H new ATOM 0 HB3 LEU A 24 1.873 15.850 2.176 1.00 61.22 H new ATOM 0 HG LEU A 24 1.012 13.426 2.110 1.00 65.05 H new ATOM 0 HD11 LEU A 24 2.435 12.747 4.045 1.00 2.04 H new ATOM 0 HD12 LEU A 24 3.203 13.946 2.977 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.517 14.455 4.538 1.00 2.04 H new ATOM 0 HD21 LEU A 24 0.062 12.552 4.229 1.00 64.15 H new ATOM 0 HD22 LEU A 24 -0.210 14.229 4.759 1.00 64.15 H new ATOM 0 HD23 LEU A 24 -1.049 13.603 3.320 1.00 64.15 H new ATOM 507 N PRO A 25 1.946 18.263 3.966 1.00 51.42 N ATOM 508 CA PRO A 25 2.683 19.518 3.731 1.00 64.41 C ATOM 509 C PRO A 25 3.315 19.548 2.330 1.00 52.34 C ATOM 510 O PRO A 25 3.781 18.511 1.855 1.00 25.31 O ATOM 511 CB PRO A 25 3.741 19.540 4.847 1.00 42.32 C ATOM 512 CG PRO A 25 3.972 18.081 5.193 1.00 45.43 C ATOM 513 CD PRO A 25 2.590 17.467 5.015 1.00 10.24 C ATOM 0 HA PRO A 25 2.039 20.397 3.759 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.661 20.017 4.510 1.00 42.32 H new ATOM 0 HB3 PRO A 25 3.390 20.101 5.713 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.707 17.621 4.533 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.340 17.961 6.212 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.660 16.418 4.726 1.00 10.24 H new ATOM 0 HD3 PRO A 25 2.020 17.505 5.943 1.00 10.24 H new ATOM 521 N GLU A 26 3.284 20.732 1.693 1.00 15.43 N ATOM 522 CA GLU A 26 3.748 20.959 0.320 1.00 32.41 C ATOM 523 C GLU A 26 5.206 20.523 0.065 1.00 20.45 C ATOM 524 O GLU A 26 5.494 20.057 -1.033 1.00 41.02 O ATOM 525 CB GLU A 26 3.459 22.423 -0.078 1.00 40.32 C ATOM 526 CG GLU A 26 3.783 22.758 -1.551 1.00 11.11 C ATOM 527 CD GLU A 26 3.438 24.190 -1.967 1.00 71.15 C ATOM 528 OE1 GLU A 26 4.043 24.638 -2.964 1.00 30.22 O ATOM 529 OE2 GLU A 26 2.571 24.806 -1.307 1.00 51.31 O1- ATOM 0 H GLU A 26 2.925 21.578 2.135 1.00 15.43 H new ATOM 0 HA GLU A 26 3.180 20.303 -0.340 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.406 22.637 0.108 1.00 40.32 H new ATOM 0 HB3 GLU A 26 4.037 23.084 0.568 1.00 40.32 H new ATOM 0 HG2 GLU A 26 4.846 22.589 -1.723 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.242 22.065 -2.195 1.00 11.11 H new ATOM 536 N GLU A 27 6.060 20.596 1.103 1.00 72.42 N ATOM 537 CA GLU A 27 7.413 20.034 1.161 1.00 12.31 C ATOM 538 C GLU A 27 7.478 18.544 0.776 1.00 42.50 C ATOM 539 O GLU A 27 8.246 18.194 -0.118 1.00 21.24 O ATOM 540 CB GLU A 27 7.981 20.285 2.578 1.00 3.21 C ATOM 541 CG GLU A 27 9.360 19.650 2.862 1.00 35.22 C ATOM 542 CD GLU A 27 9.837 19.914 4.289 1.00 64.24 C ATOM 543 OE1 GLU A 27 9.068 19.584 5.218 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.971 20.421 4.427 1.00 2.32 O1- ATOM 0 H GLU A 27 5.807 21.075 1.967 1.00 72.42 H new ATOM 0 HA GLU A 27 8.026 20.537 0.413 1.00 12.31 H new ATOM 0 HB2 GLU A 27 8.056 21.361 2.735 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.268 19.905 3.309 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.304 18.575 2.693 1.00 35.22 H new ATOM 0 HG3 GLU A 27 10.092 20.046 2.158 1.00 35.22 H new ATOM 551 N LEU A 28 6.662 17.712 1.450 1.00 51.31 N ATOM 552 CA LEU A 28 6.572 16.262 1.249 1.00 65.54 C ATOM 553 C LEU A 28 5.988 15.880 -0.123 1.00 32.34 C ATOM 554 O LEU A 28 6.317 14.805 -0.622 1.00 40.54 O ATOM 555 CB LEU A 28 5.776 15.604 2.403 1.00 15.54 C ATOM 556 CG LEU A 28 6.637 15.196 3.623 1.00 40.12 C ATOM 557 CD1 LEU A 28 7.358 16.368 4.321 1.00 40.45 C ATOM 558 CD2 LEU A 28 5.809 14.384 4.633 1.00 71.15 C ATOM 0 H LEU A 28 6.027 18.047 2.174 1.00 51.31 H new ATOM 0 HA LEU A 28 7.591 15.875 1.260 1.00 65.54 H new ATOM 0 HB2 LEU A 28 5.002 16.296 2.735 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.269 14.719 2.020 1.00 15.54 H new ATOM 0 HG LEU A 28 7.431 14.569 3.217 1.00 40.12 H new ATOM 0 HD11 LEU A 28 7.937 15.989 5.163 1.00 40.45 H new ATOM 0 HD12 LEU A 28 8.026 16.858 3.613 1.00 40.45 H new ATOM 0 HD13 LEU A 28 6.621 17.086 4.681 1.00 40.45 H new ATOM 0 HD21 LEU A 28 6.437 14.109 5.481 1.00 71.15 H new ATOM 0 HD22 LEU A 28 4.970 14.985 4.982 1.00 71.15 H new ATOM 0 HD23 LEU A 28 5.433 13.481 4.153 1.00 71.15 H new ATOM 570 N ILE A 29 5.173 16.767 -0.719 1.00 13.23 N ATOM 571 CA ILE A 29 4.669 16.626 -2.084 1.00 61.03 C ATOM 572 C ILE A 29 5.763 16.948 -3.116 1.00 61.24 C ATOM 573 O ILE A 29 5.989 16.125 -3.998 1.00 44.33 O ATOM 574 CB ILE A 29 3.410 17.505 -2.324 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.233 16.980 -1.472 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.952 17.631 -3.796 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.360 18.076 -0.860 1.00 23.43 C ATOM 0 H ILE A 29 4.844 17.613 -0.254 1.00 13.23 H new ATOM 0 HA ILE A 29 4.375 15.584 -2.213 1.00 61.03 H new ATOM 0 HB ILE A 29 3.712 18.509 -2.025 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.608 16.339 -2.093 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.630 16.358 -0.670 1.00 62.41 H new ATOM 0 HG21 ILE A 29 2.067 18.265 -3.849 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.752 18.074 -4.389 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.714 16.643 -4.189 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.558 17.620 -0.279 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.968 18.705 -0.210 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.930 18.685 -1.655 1.00 23.43 H new ATOM 589 N GLN A 30 6.456 18.094 -2.967 1.00 73.04 N ATOM 590 CA GLN A 30 7.524 18.531 -3.875 1.00 71.00 C ATOM 591 C GLN A 30 8.725 17.573 -3.903 1.00 2.13 C ATOM 592 O GLN A 30 9.207 17.274 -4.993 1.00 63.11 O ATOM 593 CB GLN A 30 8.001 19.970 -3.549 1.00 31.43 C ATOM 594 CG GLN A 30 7.005 21.146 -3.712 1.00 43.50 C ATOM 595 CD GLN A 30 5.835 20.907 -4.669 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.014 20.911 -5.884 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.634 20.702 -4.127 1.00 51.30 N ATOM 0 H GLN A 30 6.284 18.747 -2.202 1.00 73.04 H new ATOM 0 HA GLN A 30 7.080 18.523 -4.870 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.350 19.975 -2.516 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.865 20.181 -4.179 1.00 31.43 H new ATOM 0 HG2 GLN A 30 6.601 21.392 -2.730 1.00 43.50 H new ATOM 0 HG3 GLN A 30 7.558 22.019 -4.057 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.525 20.706 -3.113 1.00 51.30 H new ATOM 0 HE22 GLN A 30 3.825 20.541 -4.727 1.00 51.30 H new ATOM 606 N LYS A 31 9.152 17.085 -2.724 1.00 15.24 N ATOM 607 CA LYS A 31 10.240 16.112 -2.593 1.00 32.41 C ATOM 608 C LYS A 31 9.787 14.660 -2.854 1.00 15.54 C ATOM 609 O LYS A 31 10.645 13.796 -3.012 1.00 25.33 O ATOM 610 CB LYS A 31 10.964 16.305 -1.242 1.00 61.25 C ATOM 611 CG LYS A 31 10.273 15.742 0.013 1.00 25.12 C ATOM 612 CD LYS A 31 10.773 14.346 0.439 1.00 14.14 C ATOM 613 CE LYS A 31 10.293 13.929 1.835 1.00 54.24 C ATOM 614 NZ LYS A 31 10.894 14.765 2.892 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.745 17.361 -1.830 1.00 15.24 H new ATOM 0 HA LYS A 31 10.967 16.307 -3.382 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.950 15.847 -1.319 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.119 17.373 -1.092 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.423 16.437 0.839 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.200 15.691 -0.169 1.00 25.12 H new ATOM 0 HD2 LYS A 31 10.435 13.609 -0.289 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.863 14.336 0.419 1.00 14.14 H new ATOM 0 HE2 LYS A 31 9.207 14.006 1.884 1.00 54.24 H new ATOM 0 HE3 LYS A 31 10.547 12.883 2.010 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 10.727 14.325 3.819 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 11.917 14.849 2.728 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 10.461 15.711 2.875 1.00 12.45 H new ATOM 628 N GLY A 32 8.466 14.408 -2.887 1.00 25.23 N ATOM 629 CA GLY A 32 7.891 13.086 -3.128 1.00 2.20 C ATOM 630 C GLY A 32 7.625 12.832 -4.621 1.00 32.41 C ATOM 631 O GLY A 32 7.480 11.668 -4.998 1.00 51.50 O ATOM 0 H GLY A 32 7.763 15.133 -2.744 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.568 12.322 -2.746 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.958 12.991 -2.573 1.00 2.20 H new ATOM 635 N LYS A 33 7.558 13.885 -5.459 1.00 23.43 N ATOM 636 CA LYS A 33 7.346 13.776 -6.906 1.00 13.23 C ATOM 637 C LYS A 33 8.648 13.823 -7.723 1.00 61.53 C ATOM 638 O LYS A 33 8.695 13.126 -8.738 1.00 51.30 O ATOM 639 CB LYS A 33 6.281 14.783 -7.409 1.00 51.13 C ATOM 640 CG LYS A 33 6.499 16.273 -7.074 1.00 0.44 C ATOM 641 CD LYS A 33 6.657 17.215 -8.279 1.00 73.42 C ATOM 642 CE LYS A 33 7.994 17.058 -9.014 1.00 35.11 C ATOM 643 NZ LYS A 33 8.149 18.076 -10.066 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.652 14.849 -5.139 1.00 23.43 H new ATOM 0 HA LYS A 33 6.944 12.778 -7.079 1.00 13.23 H new ATOM 0 HB2 LYS A 33 6.213 14.688 -8.493 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.315 14.484 -7.001 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.656 16.618 -6.475 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.389 16.359 -6.451 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.843 17.032 -8.981 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.559 18.246 -7.938 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.815 17.140 -8.302 1.00 35.11 H new ATOM 0 HE3 LYS A 33 8.054 16.063 -9.456 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 9.063 17.944 -10.545 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 7.378 17.980 -10.758 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 8.116 19.024 -9.639 1.00 72.55 H new ATOM 657 N ASP A 34 9.670 14.604 -7.310 1.00 50.54 N ATOM 658 CA ASP A 34 10.945 14.687 -8.049 1.00 73.22 C ATOM 659 C ASP A 34 11.829 13.460 -7.767 1.00 31.32 C ATOM 660 O ASP A 34 12.193 12.753 -8.709 1.00 61.12 O ATOM 661 CB ASP A 34 11.744 16.017 -7.911 1.00 22.05 C ATOM 662 CG ASP A 34 12.034 16.549 -6.502 1.00 5.32 C ATOM 663 OD1 ASP A 34 11.765 15.820 -5.525 1.00 31.22 O ATOM 664 OD2 ASP A 34 12.575 17.671 -6.431 1.00 3.34 O1- ATOM 0 H ASP A 34 9.635 15.184 -6.471 1.00 50.54 H new ATOM 0 HA ASP A 34 10.642 14.687 -9.096 1.00 73.22 H new ATOM 0 HB2 ASP A 34 12.699 15.885 -8.420 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.199 16.790 -8.452 1.00 22.05 H new ATOM 669 N ILE A 35 12.114 13.215 -6.478 1.00 12.23 N ATOM 670 CA ILE A 35 12.794 12.027 -5.973 1.00 41.32 C ATOM 671 C ILE A 35 11.770 10.885 -5.931 1.00 25.42 C ATOM 672 O ILE A 35 10.711 11.030 -5.317 1.00 2.34 O ATOM 673 CB ILE A 35 13.360 12.225 -4.532 1.00 45.03 C ATOM 674 CG1 ILE A 35 14.334 13.422 -4.443 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.027 10.955 -3.951 1.00 41.45 C ATOM 676 CD1 ILE A 35 14.570 13.917 -3.008 1.00 5.42 C ATOM 0 H ILE A 35 11.864 13.869 -5.736 1.00 12.23 H new ATOM 0 HA ILE A 35 13.635 11.812 -6.632 1.00 41.32 H new ATOM 0 HB ILE A 35 12.486 12.442 -3.918 1.00 45.03 H new ATOM 0 HG12 ILE A 35 15.290 13.135 -4.881 1.00 53.41 H new ATOM 0 HG13 ILE A 35 13.942 14.244 -5.042 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.398 11.165 -2.948 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.296 10.148 -3.906 1.00 41.45 H new ATOM 0 HG23 ILE A 35 14.858 10.656 -4.590 1.00 41.45 H new ATOM 0 HD11 ILE A 35 15.263 14.758 -3.023 1.00 5.42 H new ATOM 0 HD12 ILE A 35 13.623 14.235 -2.573 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.991 13.110 -2.409 1.00 5.42 H new ATOM 688 N LYS A 36 12.115 9.775 -6.594 1.00 22.42 N ATOM 689 CA LYS A 36 11.306 8.564 -6.616 1.00 71.21 C ATOM 690 C LYS A 36 11.638 7.709 -5.390 1.00 4.44 C ATOM 691 O LYS A 36 12.813 7.469 -5.108 1.00 43.34 O ATOM 692 CB LYS A 36 11.526 7.814 -7.948 1.00 63.15 C ATOM 693 CG LYS A 36 10.642 8.323 -9.106 1.00 0.11 C ATOM 694 CD LYS A 36 10.940 9.768 -9.551 1.00 54.43 C ATOM 695 CE LYS A 36 10.070 10.255 -10.715 1.00 3.34 C ATOM 696 NZ LYS A 36 8.685 10.511 -10.286 1.00 51.25 N1+ ATOM 0 H LYS A 36 12.976 9.698 -7.135 1.00 22.42 H new ATOM 0 HA LYS A 36 10.246 8.810 -6.562 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.573 7.905 -8.236 1.00 63.15 H new ATOM 0 HB3 LYS A 36 11.329 6.753 -7.793 1.00 63.15 H new ATOM 0 HG2 LYS A 36 10.769 7.660 -9.962 1.00 0.11 H new ATOM 0 HG3 LYS A 36 9.597 8.258 -8.804 1.00 0.11 H new ATOM 0 HD2 LYS A 36 10.798 10.435 -8.701 1.00 54.43 H new ATOM 0 HD3 LYS A 36 11.989 9.839 -9.840 1.00 54.43 H new ATOM 0 HE2 LYS A 36 10.497 11.167 -11.132 1.00 3.34 H new ATOM 0 HE3 LYS A 36 10.073 9.509 -11.510 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 8.078 10.623 -11.123 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 8.345 9.711 -9.716 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 8.653 11.380 -9.716 1.00 51.25 H new ATOM 710 N GLY A 37 10.581 7.268 -4.694 1.00 2.05 N ATOM 711 CA GLY A 37 10.665 6.416 -3.513 1.00 32.21 C ATOM 712 C GLY A 37 11.027 4.971 -3.884 1.00 11.23 C ATOM 713 O GLY A 37 11.291 4.631 -5.038 1.00 34.23 O ATOM 0 H GLY A 37 9.622 7.503 -4.948 1.00 2.05 H new ATOM 0 HA2 GLY A 37 11.413 6.815 -2.828 1.00 32.21 H new ATOM 0 HA3 GLY A 37 9.711 6.429 -2.986 1.00 32.21 H new ATOM 717 N VAL A 38 11.045 4.121 -2.855 1.00 23.15 N ATOM 718 CA VAL A 38 11.354 2.699 -2.929 1.00 73.42 C ATOM 719 C VAL A 38 10.315 1.958 -2.060 1.00 44.22 C ATOM 720 O VAL A 38 9.697 2.557 -1.179 1.00 3.40 O ATOM 721 CB VAL A 38 12.805 2.423 -2.418 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.251 0.954 -2.536 1.00 1.10 C ATOM 723 CG2 VAL A 38 13.858 3.308 -3.116 1.00 41.14 C ATOM 0 H VAL A 38 10.834 4.424 -1.904 1.00 23.15 H new ATOM 0 HA VAL A 38 11.306 2.349 -3.960 1.00 73.42 H new ATOM 0 HB VAL A 38 12.751 2.675 -1.359 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.269 0.851 -2.160 1.00 1.10 H new ATOM 0 HG12 VAL A 38 12.582 0.323 -1.951 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.218 0.647 -3.581 1.00 1.10 H new ATOM 0 HG21 VAL A 38 14.848 3.075 -2.723 1.00 41.14 H new ATOM 0 HG22 VAL A 38 13.840 3.118 -4.189 1.00 41.14 H new ATOM 0 HG23 VAL A 38 13.632 4.358 -2.930 1.00 41.14 H new ATOM 733 N SER A 39 10.088 0.671 -2.344 1.00 55.12 N ATOM 734 CA SER A 39 9.155 -0.176 -1.608 1.00 32.20 C ATOM 735 C SER A 39 9.668 -1.618 -1.621 1.00 25.20 C ATOM 736 O SER A 39 10.183 -2.069 -2.641 1.00 12.25 O ATOM 737 CB SER A 39 7.745 -0.061 -2.224 1.00 61.43 C ATOM 738 OG SER A 39 7.090 1.091 -1.729 1.00 30.44 O ATOM 0 H SER A 39 10.558 0.184 -3.107 1.00 55.12 H new ATOM 0 HA SER A 39 9.086 0.151 -0.570 1.00 32.20 H new ATOM 0 HB2 SER A 39 7.818 -0.009 -3.310 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.162 -0.951 -1.986 1.00 61.43 H new ATOM 0 HG SER A 39 7.756 1.726 -1.391 1.00 30.44 H new ATOM 744 N GLU A 40 9.503 -2.315 -0.491 1.00 0.52 N ATOM 745 CA GLU A 40 9.877 -3.715 -0.331 1.00 41.33 C ATOM 746 C GLU A 40 8.645 -4.489 0.128 1.00 33.01 C ATOM 747 O GLU A 40 7.833 -3.973 0.896 1.00 10.34 O ATOM 748 CB GLU A 40 11.021 -3.819 0.692 1.00 3.20 C ATOM 749 CG GLU A 40 11.841 -5.118 0.639 1.00 1.11 C ATOM 750 CD GLU A 40 13.027 -5.045 1.604 1.00 53.23 C ATOM 751 OE1 GLU A 40 14.152 -5.338 1.140 1.00 2.42 O ATOM 752 OE2 GLU A 40 12.797 -4.668 2.775 1.00 22.13 O1- ATOM 0 H GLU A 40 9.097 -1.909 0.352 1.00 0.52 H new ATOM 0 HA GLU A 40 10.229 -4.138 -1.272 1.00 41.33 H new ATOM 0 HB2 GLU A 40 11.697 -2.977 0.542 1.00 3.20 H new ATOM 0 HB3 GLU A 40 10.601 -3.716 1.692 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.207 -5.966 0.897 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.201 -5.286 -0.376 1.00 1.11 H new ATOM 759 N ILE A 41 8.547 -5.723 -0.368 1.00 21.23 N ATOM 760 CA ILE A 41 7.466 -6.646 -0.073 1.00 11.11 C ATOM 761 C ILE A 41 8.126 -7.969 0.347 1.00 1.33 C ATOM 762 O ILE A 41 9.125 -8.364 -0.255 1.00 2.42 O ATOM 763 CB ILE A 41 6.593 -6.894 -1.337 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.024 -5.587 -1.945 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.447 -7.886 -1.054 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.366 -5.772 -3.323 1.00 72.04 C ATOM 0 H ILE A 41 9.242 -6.113 -1.005 1.00 21.23 H new ATOM 0 HA ILE A 41 6.821 -6.242 0.708 1.00 11.11 H new ATOM 0 HB ILE A 41 7.265 -7.333 -2.075 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.290 -5.168 -1.257 1.00 73.42 H new ATOM 0 HG13 ILE A 41 6.830 -4.859 -2.034 1.00 73.42 H new ATOM 0 HG21 ILE A 41 4.861 -8.033 -1.961 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.863 -8.841 -0.733 1.00 42.00 H new ATOM 0 HG23 ILE A 41 4.806 -7.487 -0.268 1.00 42.00 H new ATOM 0 HD11 ILE A 41 4.993 -4.812 -3.680 1.00 72.04 H new ATOM 0 HD12 ILE A 41 6.101 -6.161 -4.028 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.537 -6.475 -3.239 1.00 72.04 H new ATOM 778 N VAL A 42 7.569 -8.619 1.379 1.00 51.41 N ATOM 779 CA VAL A 42 8.054 -9.906 1.869 1.00 23.01 C ATOM 780 C VAL A 42 6.819 -10.759 2.218 1.00 3.20 C ATOM 781 O VAL A 42 6.082 -10.418 3.142 1.00 70.04 O ATOM 782 CB VAL A 42 8.965 -9.777 3.128 1.00 64.41 C ATOM 783 CG1 VAL A 42 9.700 -11.097 3.420 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.003 -8.642 3.032 1.00 14.34 C ATOM 0 H VAL A 42 6.766 -8.260 1.896 1.00 51.41 H new ATOM 0 HA VAL A 42 8.666 -10.363 1.091 1.00 23.01 H new ATOM 0 HB VAL A 42 8.285 -9.532 3.944 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.327 -10.976 4.303 1.00 21.22 H new ATOM 0 HG12 VAL A 42 8.971 -11.888 3.598 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.323 -11.363 2.566 1.00 21.22 H new ATOM 0 HG21 VAL A 42 10.599 -8.615 3.945 1.00 14.34 H new ATOM 0 HG22 VAL A 42 10.656 -8.818 2.177 1.00 14.34 H new ATOM 0 HG23 VAL A 42 9.489 -7.689 2.906 1.00 14.34 H new ATOM 794 N GLN A 43 6.602 -11.831 1.442 1.00 45.20 N ATOM 795 CA GLN A 43 5.473 -12.753 1.575 1.00 44.04 C ATOM 796 C GLN A 43 5.925 -13.991 2.362 1.00 71.32 C ATOM 797 O GLN A 43 6.860 -14.669 1.939 1.00 74.35 O ATOM 798 CB GLN A 43 4.980 -13.102 0.158 1.00 3.31 C ATOM 799 CG GLN A 43 3.794 -14.090 0.091 1.00 64.03 C ATOM 800 CD GLN A 43 3.474 -14.568 -1.330 1.00 22.32 C ATOM 801 OE1 GLN A 43 4.291 -14.464 -2.246 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.279 -15.132 -1.515 1.00 42.23 N ATOM 0 H GLN A 43 7.231 -12.085 0.680 1.00 45.20 H new ATOM 0 HA GLN A 43 4.646 -12.306 2.127 1.00 44.04 H new ATOM 0 HB2 GLN A 43 4.690 -12.179 -0.345 1.00 3.31 H new ATOM 0 HB3 GLN A 43 5.813 -13.523 -0.404 1.00 3.31 H new ATOM 0 HG2 GLN A 43 4.017 -14.955 0.715 1.00 64.03 H new ATOM 0 HG3 GLN A 43 2.910 -13.612 0.513 1.00 64.03 H new ATOM 0 HE21 GLN A 43 1.623 -15.204 -0.737 1.00 42.23 H new ATOM 0 HE22 GLN A 43 2.021 -15.491 -2.434 1.00 42.23 H new ATOM 811 N ASN A 44 5.248 -14.250 3.492 1.00 2.11 N ATOM 812 CA ASN A 44 5.627 -15.265 4.481 1.00 73.01 C ATOM 813 C ASN A 44 4.477 -16.272 4.684 1.00 14.21 C ATOM 814 O ASN A 44 4.148 -16.609 5.824 1.00 13.54 O ATOM 815 CB ASN A 44 6.009 -14.591 5.827 1.00 31.31 C ATOM 816 CG ASN A 44 7.005 -13.432 5.720 1.00 43.35 C ATOM 817 OD1 ASN A 44 8.027 -13.554 5.054 1.00 51.43 O ATOM 818 ND2 ASN A 44 6.716 -12.310 6.385 1.00 60.41 N ATOM 0 H ASN A 44 4.400 -13.744 3.747 1.00 2.11 H new ATOM 0 HA ASN A 44 6.496 -15.807 4.109 1.00 73.01 H new ATOM 0 HB2 ASN A 44 5.099 -14.224 6.301 1.00 31.31 H new ATOM 0 HB3 ASN A 44 6.429 -15.349 6.488 1.00 31.31 H new ATOM 0 HD21 ASN A 44 7.356 -11.517 6.349 1.00 60.41 H new ATOM 0 HD22 ASN A 44 5.855 -12.247 6.929 1.00 60.41 H new ATOM 825 N GLY A 45 3.857 -16.719 3.577 1.00 43.22 N ATOM 826 CA GLY A 45 2.646 -17.539 3.610 1.00 0.52 C ATOM 827 C GLY A 45 1.467 -16.627 3.970 1.00 45.51 C ATOM 828 O GLY A 45 1.163 -15.698 3.220 1.00 72.23 O ATOM 0 H GLY A 45 4.188 -16.517 2.634 1.00 43.22 H new ATOM 0 HA2 GLY A 45 2.480 -18.013 2.643 1.00 0.52 H new ATOM 0 HA3 GLY A 45 2.747 -18.339 4.343 1.00 0.52 H new ATOM 832 N LYS A 46 0.817 -16.896 5.116 1.00 30.04 N ATOM 833 CA LYS A 46 -0.240 -16.052 5.679 1.00 51.45 C ATOM 834 C LYS A 46 0.258 -14.740 6.312 1.00 0.32 C ATOM 835 O LYS A 46 -0.492 -13.766 6.279 1.00 74.42 O ATOM 836 CB LYS A 46 -1.118 -16.859 6.668 1.00 21.31 C ATOM 837 CG LYS A 46 -2.495 -17.272 6.113 1.00 1.33 C ATOM 838 CD LYS A 46 -3.350 -16.080 5.635 1.00 73.32 C ATOM 839 CE LYS A 46 -4.856 -16.364 5.588 1.00 1.34 C ATOM 840 NZ LYS A 46 -5.448 -16.353 6.937 1.00 43.32 N1+ ATOM 0 H LYS A 46 1.018 -17.720 5.682 1.00 30.04 H new ATOM 0 HA LYS A 46 -0.850 -15.740 4.831 1.00 51.45 H new ATOM 0 HB2 LYS A 46 -0.576 -17.757 6.965 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -1.268 -16.264 7.569 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -2.350 -17.962 5.281 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -3.041 -17.814 6.885 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -3.172 -15.232 6.296 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -3.016 -15.784 4.640 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -5.349 -15.617 4.967 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -5.031 -17.333 5.120 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -6.434 -16.680 6.886 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -4.905 -16.985 7.559 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -5.423 -15.386 7.319 1.00 43.32 H new ATOM 854 N HIS A 47 1.492 -14.713 6.848 1.00 24.14 N ATOM 855 CA HIS A 47 2.141 -13.470 7.278 1.00 22.41 C ATOM 856 C HIS A 47 2.656 -12.682 6.062 1.00 14.04 C ATOM 857 O HIS A 47 2.917 -13.260 5.007 1.00 43.50 O ATOM 858 CB HIS A 47 3.259 -13.753 8.312 1.00 50.02 C ATOM 859 CG HIS A 47 2.972 -13.249 9.705 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.790 -11.907 9.997 1.00 34.41 N ATOM 861 CD2 HIS A 47 2.853 -13.907 10.911 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.583 -11.812 11.313 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.603 -12.985 11.932 1.00 65.34 N ATOM 0 H HIS A 47 2.060 -15.548 6.993 1.00 24.14 H new ATOM 0 HA HIS A 47 1.401 -12.846 7.780 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.429 -14.829 8.357 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.185 -13.298 7.959 1.00 50.02 H new ATOM 0 HD2 HIS A 47 2.940 -14.975 11.047 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.416 -10.874 11.822 1.00 74.35 H new ATOM 0 HE2 HIS A 47 2.467 -13.172 12.926 1.00 65.34 H new ATOM 871 N PHE A 48 2.772 -11.363 6.238 1.00 64.22 N ATOM 872 CA PHE A 48 3.116 -10.425 5.182 1.00 21.45 C ATOM 873 C PHE A 48 3.820 -9.231 5.835 1.00 13.42 C ATOM 874 O PHE A 48 3.363 -8.753 6.874 1.00 2.42 O ATOM 875 CB PHE A 48 1.811 -10.016 4.464 1.00 52.14 C ATOM 876 CG PHE A 48 1.971 -9.240 3.170 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.223 -7.853 3.184 1.00 75.01 C ATOM 878 CD2 PHE A 48 1.990 -9.929 1.937 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.391 -7.165 1.991 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.161 -9.223 0.754 1.00 52.34 C ATOM 881 CZ PHE A 48 2.341 -7.846 0.782 1.00 60.00 C ATOM 0 H PHE A 48 2.625 -10.914 7.142 1.00 64.22 H new ATOM 0 HA PHE A 48 3.788 -10.856 4.439 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.239 -10.920 4.253 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.216 -9.415 5.152 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.285 -7.325 4.124 1.00 75.01 H new ATOM 0 HD2 PHE A 48 1.872 -11.002 1.915 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.561 -6.099 2.003 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.154 -9.746 -0.191 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.443 -7.300 -0.144 1.00 60.00 H new ATOM 891 N LYS A 49 4.895 -8.760 5.190 1.00 3.35 N ATOM 892 CA LYS A 49 5.639 -7.568 5.580 1.00 52.41 C ATOM 893 C LYS A 49 5.724 -6.591 4.403 1.00 72.32 C ATOM 894 O LYS A 49 5.735 -7.006 3.244 1.00 11.52 O ATOM 895 CB LYS A 49 7.046 -7.951 6.097 1.00 41.21 C ATOM 896 CG LYS A 49 7.255 -7.542 7.564 1.00 22.14 C ATOM 897 CD LYS A 49 8.721 -7.484 8.012 1.00 12.30 C ATOM 898 CE LYS A 49 9.458 -6.242 7.481 1.00 43.24 C ATOM 899 NZ LYS A 49 10.822 -6.154 8.026 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.277 -9.214 4.360 1.00 3.35 H new ATOM 0 HA LYS A 49 5.111 -7.072 6.394 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.188 -9.027 5.998 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.803 -7.471 5.476 1.00 41.21 H new ATOM 0 HG2 LYS A 49 6.802 -6.563 7.722 1.00 22.14 H new ATOM 0 HG3 LYS A 49 6.722 -8.246 8.203 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.764 -7.488 9.101 1.00 12.30 H new ATOM 0 HD3 LYS A 49 9.237 -8.381 7.669 1.00 12.30 H new ATOM 0 HE2 LYS A 49 9.501 -6.280 6.393 1.00 43.24 H new ATOM 0 HE3 LYS A 49 8.900 -5.344 7.747 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 11.292 -5.306 7.649 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.778 -6.093 9.063 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 11.361 -7.000 7.751 1.00 54.54 H new ATOM 913 N PHE A 50 5.797 -5.301 4.759 1.00 44.13 N ATOM 914 CA PHE A 50 5.824 -4.184 3.829 1.00 1.25 C ATOM 915 C PHE A 50 6.815 -3.162 4.404 1.00 11.43 C ATOM 916 O PHE A 50 6.665 -2.759 5.559 1.00 12.42 O ATOM 917 CB PHE A 50 4.388 -3.601 3.732 1.00 51.44 C ATOM 918 CG PHE A 50 3.937 -3.113 2.362 1.00 4.32 C ATOM 919 CD1 PHE A 50 4.806 -2.418 1.491 1.00 73.22 C ATOM 920 CD2 PHE A 50 2.573 -3.219 2.012 1.00 72.15 C ATOM 921 CE1 PHE A 50 4.337 -1.934 0.278 1.00 21.11 C ATOM 922 CE2 PHE A 50 2.122 -2.727 0.795 1.00 61.23 C ATOM 923 CZ PHE A 50 3.004 -2.096 -0.074 1.00 22.42 C ATOM 0 H PHE A 50 5.840 -5.006 5.735 1.00 44.13 H new ATOM 0 HA PHE A 50 6.138 -4.472 2.826 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.687 -4.365 4.068 1.00 51.44 H new ATOM 0 HB3 PHE A 50 4.311 -2.769 4.432 1.00 51.44 H new ATOM 0 HD1 PHE A 50 5.838 -2.263 1.770 1.00 73.22 H new ATOM 0 HD2 PHE A 50 1.878 -3.685 2.694 1.00 72.15 H new ATOM 0 HE1 PHE A 50 5.013 -1.428 -0.396 1.00 21.11 H new ATOM 0 HE2 PHE A 50 1.083 -2.835 0.523 1.00 61.23 H new ATOM 0 HZ PHE A 50 2.651 -1.730 -1.027 1.00 22.42 H new ATOM 933 N THR A 51 7.772 -2.732 3.570 1.00 53.25 N ATOM 934 CA THR A 51 8.604 -1.557 3.812 1.00 42.45 C ATOM 935 C THR A 51 8.198 -0.490 2.783 1.00 21.42 C ATOM 936 O THR A 51 8.122 -0.799 1.593 1.00 40.20 O ATOM 937 CB THR A 51 10.118 -1.828 3.617 1.00 72.25 C ATOM 938 OG1 THR A 51 10.508 -2.998 4.314 1.00 1.10 O ATOM 939 CG2 THR A 51 11.026 -0.681 4.082 1.00 30.11 C ATOM 0 H THR A 51 7.990 -3.204 2.692 1.00 53.25 H new ATOM 0 HA THR A 51 8.451 -1.250 4.847 1.00 42.45 H new ATOM 0 HB THR A 51 10.246 -1.940 2.540 1.00 72.25 H new ATOM 0 HG1 THR A 51 11.201 -3.467 3.804 1.00 1.10 H new ATOM 0 HG21 THR A 51 12.068 -0.950 3.911 1.00 30.11 H new ATOM 0 HG22 THR A 51 10.788 0.222 3.520 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.868 -0.500 5.145 1.00 30.11 H new ATOM 947 N ILE A 52 7.932 0.732 3.257 1.00 41.33 N ATOM 948 CA ILE A 52 7.546 1.871 2.433 1.00 54.14 C ATOM 949 C ILE A 52 8.597 2.957 2.695 1.00 24.44 C ATOM 950 O ILE A 52 8.650 3.502 3.798 1.00 45.15 O ATOM 951 CB ILE A 52 6.135 2.429 2.798 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.039 1.333 2.775 1.00 20.40 C ATOM 953 CG2 ILE A 52 5.729 3.581 1.854 1.00 55.04 C ATOM 954 CD1 ILE A 52 4.954 0.477 4.053 1.00 33.33 C ATOM 0 H ILE A 52 7.982 0.957 4.251 1.00 41.33 H new ATOM 0 HA ILE A 52 7.497 1.565 1.388 1.00 54.14 H new ATOM 0 HB ILE A 52 6.213 2.806 3.818 1.00 74.01 H new ATOM 0 HG12 ILE A 52 4.073 1.809 2.608 1.00 20.40 H new ATOM 0 HG13 ILE A 52 5.221 0.675 1.925 1.00 20.40 H new ATOM 0 HG21 ILE A 52 4.742 3.949 2.133 1.00 55.04 H new ATOM 0 HG22 ILE A 52 6.454 4.391 1.935 1.00 55.04 H new ATOM 0 HG23 ILE A 52 5.704 3.218 0.827 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.160 -0.262 3.944 1.00 33.33 H new ATOM 0 HD12 ILE A 52 5.904 -0.033 4.213 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.738 1.119 4.907 1.00 33.33 H new ATOM 966 N THR A 53 9.440 3.210 1.685 1.00 22.12 N ATOM 967 CA THR A 53 10.598 4.088 1.792 1.00 13.34 C ATOM 968 C THR A 53 10.387 5.323 0.901 1.00 63.33 C ATOM 969 O THR A 53 10.512 5.241 -0.319 1.00 3.11 O ATOM 970 CB THR A 53 11.890 3.332 1.378 1.00 54.14 C ATOM 971 OG1 THR A 53 12.146 2.309 2.319 1.00 44.35 O ATOM 972 CG2 THR A 53 13.170 4.179 1.232 1.00 4.54 C ATOM 0 H THR A 53 9.329 2.800 0.758 1.00 22.12 H new ATOM 0 HA THR A 53 10.711 4.410 2.827 1.00 13.34 H new ATOM 0 HB THR A 53 11.675 2.959 0.377 1.00 54.14 H new ATOM 0 HG1 THR A 53 12.959 1.826 2.064 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.000 3.536 0.940 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.016 4.942 0.469 1.00 4.54 H new ATOM 0 HG23 THR A 53 13.400 4.658 2.184 1.00 4.54 H new ATOM 980 N ALA A 54 10.090 6.461 1.545 1.00 2.35 N ATOM 981 CA ALA A 54 10.067 7.792 0.935 1.00 30.14 C ATOM 982 C ALA A 54 11.490 8.307 0.619 1.00 24.35 C ATOM 983 O ALA A 54 12.461 7.562 0.759 1.00 5.40 O ATOM 984 CB ALA A 54 9.301 8.734 1.880 1.00 75.44 C ATOM 0 H ALA A 54 9.852 6.477 2.537 1.00 2.35 H new ATOM 0 HA ALA A 54 9.557 7.750 -0.027 1.00 30.14 H new ATOM 0 HB1 ALA A 54 9.269 9.735 1.449 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.285 8.365 2.016 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.806 8.771 2.845 1.00 75.44 H new ATOM 990 N GLY A 55 11.591 9.579 0.186 1.00 72.42 N ATOM 991 CA GLY A 55 12.833 10.229 -0.257 1.00 34.33 C ATOM 992 C GLY A 55 13.987 10.191 0.766 1.00 33.32 C ATOM 993 O GLY A 55 15.145 10.180 0.350 1.00 61.42 O ATOM 0 H GLY A 55 10.783 10.199 0.135 1.00 72.42 H new ATOM 0 HA2 GLY A 55 13.167 9.751 -1.178 1.00 34.33 H new ATOM 0 HA3 GLY A 55 12.615 11.269 -0.499 1.00 34.33 H new ATOM 997 N SER A 56 13.683 10.127 2.075 1.00 24.25 N ATOM 998 CA SER A 56 14.657 9.978 3.164 1.00 51.21 C ATOM 999 C SER A 56 14.031 9.428 4.467 1.00 11.32 C ATOM 1000 O SER A 56 14.634 9.583 5.529 1.00 13.10 O ATOM 1001 CB SER A 56 15.462 11.287 3.359 1.00 20.12 C ATOM 1002 OG SER A 56 14.653 12.337 3.855 1.00 2.14 O ATOM 0 H SER A 56 12.721 10.180 2.411 1.00 24.25 H new ATOM 0 HA SER A 56 15.371 9.209 2.869 1.00 51.21 H new ATOM 0 HB2 SER A 56 16.286 11.107 4.050 1.00 20.12 H new ATOM 0 HB3 SER A 56 15.903 11.587 2.408 1.00 20.12 H new ATOM 0 HG SER A 56 15.197 13.145 3.966 1.00 2.14 H new ATOM 1008 N LYS A 57 12.859 8.776 4.368 1.00 73.31 N ATOM 1009 CA LYS A 57 12.156 8.126 5.480 1.00 20.53 C ATOM 1010 C LYS A 57 11.906 6.652 5.138 1.00 63.12 C ATOM 1011 O LYS A 57 11.799 6.320 3.960 1.00 14.45 O ATOM 1012 CB LYS A 57 10.820 8.868 5.755 1.00 73.21 C ATOM 1013 CG LYS A 57 10.770 9.626 7.097 1.00 2.02 C ATOM 1014 CD LYS A 57 10.877 8.755 8.368 1.00 74.54 C ATOM 1015 CE LYS A 57 9.766 7.704 8.552 1.00 51.10 C ATOM 1016 NZ LYS A 57 8.439 8.316 8.747 1.00 41.34 N1+ ATOM 0 H LYS A 57 12.362 8.686 3.482 1.00 73.31 H new ATOM 0 HA LYS A 57 12.767 8.171 6.382 1.00 20.53 H new ATOM 0 HB2 LYS A 57 10.640 9.576 4.946 1.00 73.21 H new ATOM 0 HB3 LYS A 57 10.006 8.144 5.732 1.00 73.21 H new ATOM 0 HG2 LYS A 57 11.580 10.355 7.111 1.00 2.02 H new ATOM 0 HG3 LYS A 57 9.836 10.186 7.141 1.00 2.02 H new ATOM 0 HD2 LYS A 57 11.839 8.242 8.355 1.00 74.54 H new ATOM 0 HD3 LYS A 57 10.878 9.412 9.238 1.00 74.54 H new ATOM 0 HE2 LYS A 57 9.738 7.053 7.678 1.00 51.10 H new ATOM 0 HE3 LYS A 57 10.003 7.076 9.411 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 7.726 7.568 8.866 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 8.455 8.917 9.595 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 8.198 8.895 7.917 1.00 41.34 H new ATOM 1030 N VAL A 58 11.791 5.807 6.177 1.00 22.24 N ATOM 1031 CA VAL A 58 11.450 4.390 6.054 1.00 72.31 C ATOM 1032 C VAL A 58 10.383 4.056 7.112 1.00 12.04 C ATOM 1033 O VAL A 58 10.563 4.382 8.286 1.00 53.43 O ATOM 1034 CB VAL A 58 12.679 3.459 6.279 1.00 15.54 C ATOM 1035 CG1 VAL A 58 12.341 1.967 6.081 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.861 3.818 5.362 1.00 53.14 C ATOM 0 H VAL A 58 11.937 6.102 7.143 1.00 22.24 H new ATOM 0 HA VAL A 58 11.086 4.219 5.041 1.00 72.31 H new ATOM 0 HB VAL A 58 12.965 3.622 7.318 1.00 15.54 H new ATOM 0 HG11 VAL A 58 13.234 1.366 6.250 1.00 21.52 H new ATOM 0 HG12 VAL A 58 11.566 1.673 6.789 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.983 1.807 5.064 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.692 3.140 5.558 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.554 3.725 4.320 1.00 53.14 H new ATOM 0 HG23 VAL A 58 14.175 4.843 5.558 1.00 53.14 H new ATOM 1046 N ILE A 59 9.295 3.409 6.666 1.00 52.34 N ATOM 1047 CA ILE A 59 8.168 2.959 7.484 1.00 63.31 C ATOM 1048 C ILE A 59 8.005 1.449 7.251 1.00 31.44 C ATOM 1049 O ILE A 59 8.004 1.021 6.098 1.00 30.30 O ATOM 1050 CB ILE A 59 6.849 3.687 7.075 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.963 5.213 7.308 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.589 3.136 7.778 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.817 6.029 6.698 1.00 31.01 C ATOM 0 H ILE A 59 9.176 3.177 5.680 1.00 52.34 H new ATOM 0 HA ILE A 59 8.363 3.184 8.532 1.00 63.31 H new ATOM 0 HB ILE A 59 6.723 3.487 6.011 1.00 40.23 H new ATOM 0 HG12 ILE A 59 6.999 5.404 8.381 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.907 5.564 6.890 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.713 3.692 7.443 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.466 2.082 7.531 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.697 3.245 8.857 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.973 7.087 6.906 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.792 5.871 5.620 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.870 5.709 7.134 1.00 31.01 H new ATOM 1065 N GLN A 60 7.894 0.675 8.342 1.00 13.05 N ATOM 1066 CA GLN A 60 7.833 -0.791 8.312 1.00 21.24 C ATOM 1067 C GLN A 60 6.599 -1.263 9.089 1.00 24.42 C ATOM 1068 O GLN A 60 6.405 -0.832 10.228 1.00 55.10 O ATOM 1069 CB GLN A 60 9.123 -1.373 8.933 1.00 12.44 C ATOM 1070 CG GLN A 60 10.414 -1.025 8.155 1.00 71.21 C ATOM 1071 CD GLN A 60 11.452 -0.291 9.008 1.00 60.43 C ATOM 1072 OE1 GLN A 60 12.509 -0.838 9.311 1.00 22.25 O ATOM 1073 NE2 GLN A 60 11.158 0.953 9.395 1.00 2.35 N ATOM 0 H GLN A 60 7.843 1.059 9.285 1.00 13.05 H new ATOM 0 HA GLN A 60 7.754 -1.139 7.282 1.00 21.24 H new ATOM 0 HB2 GLN A 60 9.218 -1.007 9.955 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.028 -2.457 8.991 1.00 12.44 H new ATOM 0 HG2 GLN A 60 10.855 -1.943 7.767 1.00 71.21 H new ATOM 0 HG3 GLN A 60 10.157 -0.407 7.295 1.00 71.21 H new ATOM 0 HE21 GLN A 60 10.270 1.375 9.124 1.00 2.35 H new ATOM 0 HE22 GLN A 60 11.822 1.481 9.961 1.00 2.35 H new ATOM 1082 N ASN A 61 5.806 -2.154 8.471 1.00 15.02 N ATOM 1083 CA ASN A 61 4.604 -2.763 9.053 1.00 22.04 C ATOM 1084 C ASN A 61 4.557 -4.251 8.687 1.00 12.24 C ATOM 1085 O ASN A 61 4.944 -4.627 7.580 1.00 1.30 O ATOM 1086 CB ASN A 61 3.333 -2.037 8.544 1.00 74.13 C ATOM 1087 CG ASN A 61 3.147 -0.642 9.148 1.00 14.54 C ATOM 1088 OD1 ASN A 61 3.411 0.403 8.361 1.00 4.23 O flip ATOM 1089 ND2 ASN A 61 2.764 -0.508 10.307 1.00 71.34 N flip ATOM 0 H ASN A 61 5.992 -2.479 7.522 1.00 15.02 H new ATOM 0 HA ASN A 61 4.640 -2.665 10.138 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.383 -1.951 7.459 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.459 -2.645 8.776 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.572 -1.330 10.879 1.00 71.34 H new ATOM 0 HD22 ASN A 61 2.638 0.426 10.698 1.00 71.34 H new ATOM 1096 N GLU A 62 4.042 -5.052 9.632 1.00 11.32 N ATOM 1097 CA GLU A 62 3.812 -6.488 9.501 1.00 10.11 C ATOM 1098 C GLU A 62 2.378 -6.808 9.945 1.00 4.42 C ATOM 1099 O GLU A 62 1.866 -6.173 10.870 1.00 11.11 O ATOM 1100 CB GLU A 62 4.857 -7.251 10.346 1.00 64.34 C ATOM 1101 CG GLU A 62 4.730 -8.788 10.285 1.00 12.24 C ATOM 1102 CD GLU A 62 5.814 -9.481 11.105 1.00 52.11 C ATOM 1103 OE1 GLU A 62 5.495 -9.875 12.248 1.00 25.35 O ATOM 1104 OE2 GLU A 62 6.941 -9.601 10.575 1.00 52.24 O1- ATOM 0 H GLU A 62 3.764 -4.695 10.546 1.00 11.32 H new ATOM 0 HA GLU A 62 3.925 -6.803 8.464 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.854 -6.968 10.010 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.768 -6.933 11.385 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.749 -9.086 10.654 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.793 -9.117 9.248 1.00 12.24 H new ATOM 1111 N PHE A 63 1.772 -7.811 9.293 1.00 45.12 N ATOM 1112 CA PHE A 63 0.418 -8.277 9.576 1.00 45.42 C ATOM 1113 C PHE A 63 0.184 -9.692 9.041 1.00 52.20 C ATOM 1114 O PHE A 63 0.911 -10.147 8.159 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.620 -7.271 9.029 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.538 -6.928 7.550 1.00 72.14 C ATOM 1117 CD1 PHE A 63 -1.095 -7.786 6.578 1.00 42.32 C ATOM 1118 CD2 PHE A 63 0.217 -5.812 7.132 1.00 4.21 C ATOM 1119 CE1 PHE A 63 -0.938 -7.494 5.230 1.00 33.11 C ATOM 1120 CE2 PHE A 63 0.350 -5.530 5.781 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.230 -6.366 4.836 1.00 51.51 C ATOM 0 H PHE A 63 2.224 -8.328 8.539 1.00 45.12 H new ATOM 0 HA PHE A 63 0.294 -8.332 10.657 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.615 -7.669 9.230 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.526 -6.345 9.597 1.00 33.31 H new ATOM 0 HD1 PHE A 63 -1.641 -8.667 6.882 1.00 42.32 H new ATOM 0 HD2 PHE A 63 0.692 -5.177 7.865 1.00 4.21 H new ATOM 0 HE1 PHE A 63 -1.368 -8.147 4.485 1.00 33.11 H new ATOM 0 HE2 PHE A 63 0.905 -4.660 5.463 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.130 -6.137 3.785 1.00 51.51 H new ATOM 1131 N THR A 64 -0.869 -10.336 9.567 1.00 74.12 N ATOM 1132 CA THR A 64 -1.411 -11.584 9.040 1.00 13.51 C ATOM 1133 C THR A 64 -2.602 -11.250 8.127 1.00 22.02 C ATOM 1134 O THR A 64 -3.503 -10.516 8.536 1.00 1.35 O ATOM 1135 CB THR A 64 -1.901 -12.514 10.179 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.793 -12.859 10.985 1.00 42.04 O ATOM 1137 CG2 THR A 64 -2.549 -13.830 9.710 1.00 4.13 C ATOM 0 H THR A 64 -1.372 -9.992 10.385 1.00 74.12 H new ATOM 0 HA THR A 64 -0.624 -12.101 8.491 1.00 13.51 H new ATOM 0 HB THR A 64 -2.669 -11.950 10.709 1.00 73.13 H new ATOM 0 HG1 THR A 64 -1.088 -13.447 11.712 1.00 42.04 H new ATOM 0 HG21 THR A 64 -2.859 -14.412 10.578 1.00 4.13 H new ATOM 0 HG22 THR A 64 -3.419 -13.607 9.093 1.00 4.13 H new ATOM 0 HG23 THR A 64 -1.828 -14.403 9.127 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.569 -11.792 6.901 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.582 -11.613 5.860 1.00 33.33 C ATOM 1147 C VAL A 65 -4.922 -12.262 6.282 1.00 61.03 C ATOM 1148 O VAL A 65 -4.928 -13.384 6.786 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.078 -12.231 4.521 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.101 -12.242 3.370 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -1.804 -11.517 4.030 1.00 40.35 C ATOM 0 H VAL A 65 -1.802 -12.392 6.599 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.752 -10.546 5.718 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.881 -13.273 4.774 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.649 -12.692 2.486 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -4.975 -12.821 3.666 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.403 -11.220 3.142 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.473 -11.967 3.094 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.018 -10.460 3.869 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.019 -11.618 4.779 1.00 40.35 H new ATOM 1161 N GLY A 66 -6.025 -11.524 6.088 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.385 -11.934 6.446 1.00 0.44 C ATOM 1163 C GLY A 66 -7.757 -11.585 7.898 1.00 33.05 C ATOM 1164 O GLY A 66 -8.942 -11.628 8.223 1.00 40.34 O ATOM 0 H GLY A 66 -5.991 -10.597 5.664 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.093 -11.454 5.770 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.484 -13.010 6.300 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.782 -11.216 8.747 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.984 -10.735 10.115 1.00 22.42 C ATOM 1170 C GLU A 67 -6.753 -9.220 10.168 1.00 3.42 C ATOM 1171 O GLU A 67 -5.893 -8.703 9.450 1.00 51.32 O ATOM 1172 CB GLU A 67 -6.001 -11.461 11.064 1.00 4.45 C ATOM 1173 CG GLU A 67 -6.374 -12.920 11.389 1.00 21.52 C ATOM 1174 CD GLU A 67 -7.583 -13.030 12.323 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -7.346 -13.129 13.546 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -8.718 -13.013 11.801 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.797 -11.248 8.484 1.00 70.23 H new ATOM 0 HA GLU A 67 -8.006 -10.945 10.432 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -5.008 -11.446 10.616 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.938 -10.901 11.997 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -6.588 -13.451 10.461 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -5.519 -13.415 11.849 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.524 -8.545 11.038 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.429 -7.107 11.295 1.00 12.35 C ATOM 1185 C GLU A 68 -6.057 -6.706 11.852 1.00 34.40 C ATOM 1186 O GLU A 68 -5.481 -7.423 12.671 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.564 -6.664 12.238 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.958 -6.742 11.590 1.00 10.43 C ATOM 1189 CD GLU A 68 -11.060 -6.348 12.569 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.278 -5.125 12.719 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -11.661 -7.276 13.151 1.00 13.42 O1- ATOM 0 H GLU A 68 -8.248 -9.001 11.594 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.540 -6.590 10.342 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -8.550 -7.289 13.131 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -8.379 -5.640 12.563 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -9.992 -6.085 10.721 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -10.136 -7.756 11.231 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.565 -5.567 11.357 1.00 13.21 N ATOM 1199 CA CYS A 69 -4.211 -5.084 11.577 1.00 70.35 C ATOM 1200 C CYS A 69 -4.184 -3.557 11.474 1.00 60.52 C ATOM 1201 O CYS A 69 -5.103 -2.958 10.917 1.00 3.44 O ATOM 1202 CB CYS A 69 -3.220 -5.758 10.607 1.00 55.14 C ATOM 1203 SG CYS A 69 -3.543 -5.336 8.864 1.00 2.14 S ATOM 0 H CYS A 69 -6.120 -4.940 10.775 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.890 -5.355 12.583 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.204 -5.459 10.866 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -3.276 -6.840 10.731 1.00 55.14 H new ATOM 0 HG CYS A 69 -2.583 -5.799 8.120 1.00 2.14 H new ATOM 1209 N GLU A 70 -3.117 -2.962 12.023 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.928 -1.522 12.092 1.00 5.34 C ATOM 1211 C GLU A 70 -1.672 -1.154 11.293 1.00 21.04 C ATOM 1212 O GLU A 70 -0.581 -1.619 11.623 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.876 -1.140 13.583 1.00 62.11 C ATOM 1214 CG GLU A 70 -2.802 0.369 13.851 1.00 33.43 C ATOM 1215 CD GLU A 70 -2.870 0.656 15.351 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -1.787 0.862 15.942 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -4.003 0.646 15.880 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.348 -3.488 12.439 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.743 -0.956 11.641 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.760 -1.541 14.079 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -2.010 -1.620 14.038 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -1.876 0.771 13.440 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -3.622 0.874 13.342 1.00 33.43 H new ATOM 1224 N LEU A 71 -1.869 -0.346 10.240 1.00 63.25 N ATOM 1225 CA LEU A 71 -0.829 0.146 9.336 1.00 51.44 C ATOM 1226 C LEU A 71 -0.599 1.638 9.601 1.00 52.25 C ATOM 1227 O LEU A 71 -1.541 2.349 9.947 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.272 -0.065 7.868 1.00 12.12 C ATOM 1229 CG LEU A 71 -0.795 -1.392 7.233 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -1.343 -2.644 7.943 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -1.086 -1.417 5.717 1.00 11.34 C ATOM 0 H LEU A 71 -2.797 -0.006 9.988 1.00 63.25 H new ATOM 0 HA LEU A 71 0.097 -0.402 9.508 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.360 -0.027 7.822 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -0.898 0.764 7.267 1.00 12.12 H new ATOM 0 HG LEU A 71 0.285 -1.429 7.373 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -0.968 -3.538 7.445 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -1.017 -2.644 8.983 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -2.432 -2.637 7.904 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -0.741 -2.361 5.296 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -2.159 -1.316 5.551 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -0.565 -0.591 5.233 1.00 11.34 H new ATOM 1243 N GLU A 72 0.647 2.082 9.393 1.00 31.40 N ATOM 1244 CA GLU A 72 1.077 3.465 9.583 1.00 14.02 C ATOM 1245 C GLU A 72 1.106 4.205 8.232 1.00 21.53 C ATOM 1246 O GLU A 72 1.790 3.760 7.310 1.00 23.03 O ATOM 1247 CB GLU A 72 2.455 3.436 10.278 1.00 41.41 C ATOM 1248 CG GLU A 72 3.001 4.820 10.674 1.00 41.14 C ATOM 1249 CD GLU A 72 4.366 4.747 11.359 1.00 41.24 C ATOM 1250 OE1 GLU A 72 4.513 3.905 12.271 1.00 4.01 O ATOM 1251 OE2 GLU A 72 5.242 5.545 10.959 1.00 22.04 O1- ATOM 0 H GLU A 72 1.400 1.470 9.080 1.00 31.40 H new ATOM 0 HA GLU A 72 0.378 4.015 10.214 1.00 14.02 H new ATOM 0 HB2 GLU A 72 2.383 2.818 11.173 1.00 41.41 H new ATOM 0 HB3 GLU A 72 3.172 2.953 9.614 1.00 41.41 H new ATOM 0 HG2 GLU A 72 3.080 5.442 9.783 1.00 41.14 H new ATOM 0 HG3 GLU A 72 2.291 5.308 11.341 1.00 41.14 H new ATOM 1258 N THR A 73 0.392 5.341 8.170 1.00 53.10 N ATOM 1259 CA THR A 73 0.410 6.309 7.064 1.00 22.32 C ATOM 1260 C THR A 73 1.714 7.144 7.091 1.00 73.14 C ATOM 1261 O THR A 73 2.379 7.179 8.126 1.00 51.31 O ATOM 1262 CB THR A 73 -0.810 7.271 7.187 1.00 61.01 C ATOM 1263 OG1 THR A 73 -2.003 6.509 7.233 1.00 25.44 O ATOM 1264 CG2 THR A 73 -0.994 8.305 6.059 1.00 13.44 C ATOM 0 H THR A 73 -0.239 5.620 8.921 1.00 53.10 H new ATOM 0 HA THR A 73 0.358 5.758 6.125 1.00 22.32 H new ATOM 0 HB THR A 73 -0.601 7.836 8.095 1.00 61.01 H new ATOM 0 HG1 THR A 73 -2.191 6.252 8.160 1.00 25.44 H new ATOM 0 HG21 THR A 73 -1.876 8.912 6.262 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.115 8.948 6.008 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.121 7.787 5.108 1.00 13.44 H new ATOM 1272 N MET A 74 2.069 7.821 5.981 1.00 65.23 N ATOM 1273 CA MET A 74 3.237 8.716 5.895 1.00 15.22 C ATOM 1274 C MET A 74 3.247 9.886 6.905 1.00 61.53 C ATOM 1275 O MET A 74 4.330 10.331 7.287 1.00 63.41 O ATOM 1276 CB MET A 74 3.415 9.248 4.459 1.00 4.31 C ATOM 1277 CG MET A 74 3.676 8.155 3.413 1.00 63.10 C ATOM 1278 SD MET A 74 4.158 8.815 1.794 1.00 71.13 S ATOM 1279 CE MET A 74 4.271 7.273 0.851 1.00 42.32 C ATOM 0 H MET A 74 1.545 7.760 5.108 1.00 65.23 H new ATOM 0 HA MET A 74 4.085 8.090 6.173 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.520 9.802 4.175 1.00 4.31 H new ATOM 0 HB3 MET A 74 4.245 9.955 4.445 1.00 4.31 H new ATOM 0 HG2 MET A 74 4.462 7.493 3.777 1.00 63.10 H new ATOM 0 HG3 MET A 74 2.777 7.549 3.298 1.00 63.10 H new ATOM 0 HE1 MET A 74 4.560 7.495 -0.176 1.00 42.32 H new ATOM 0 HE2 MET A 74 5.018 6.623 1.305 1.00 42.32 H new ATOM 0 HE3 MET A 74 3.303 6.772 0.856 1.00 42.32 H new ATOM 1289 N THR A 75 2.056 10.323 7.347 1.00 42.10 N ATOM 1290 CA THR A 75 1.834 11.297 8.423 1.00 73.34 C ATOM 1291 C THR A 75 2.106 10.739 9.839 1.00 4.34 C ATOM 1292 O THR A 75 2.174 11.526 10.782 1.00 65.22 O ATOM 1293 CB THR A 75 0.356 11.769 8.413 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.545 10.695 8.627 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.039 12.475 7.115 1.00 62.31 C ATOM 0 H THR A 75 1.181 9.989 6.943 1.00 42.10 H new ATOM 0 HA THR A 75 2.537 12.106 8.225 1.00 73.34 H new ATOM 0 HB THR A 75 0.286 12.482 9.235 1.00 44.22 H new ATOM 0 HG1 THR A 75 -1.465 11.033 8.615 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.084 12.781 7.170 1.00 62.31 H new ATOM 0 HG22 THR A 75 0.589 13.354 6.973 1.00 62.31 H new ATOM 0 HG23 THR A 75 0.096 11.794 6.275 1.00 62.31 H new ATOM 1303 N GLY A 76 2.233 9.409 9.970 1.00 3.43 N ATOM 1304 CA GLY A 76 2.370 8.706 11.241 1.00 13.34 C ATOM 1305 C GLY A 76 1.003 8.304 11.821 1.00 34.01 C ATOM 1306 O GLY A 76 0.985 7.642 12.857 1.00 72.12 O ATOM 0 H GLY A 76 2.243 8.781 9.166 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.981 7.815 11.099 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.895 9.342 11.954 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.128 8.673 11.179 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.472 8.262 11.588 1.00 62.44 C ATOM 1312 C GLU A 77 -1.680 6.760 11.368 1.00 4.12 C ATOM 1313 O GLU A 77 -1.648 6.294 10.226 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.567 9.067 10.864 1.00 1.33 C ATOM 1315 CG GLU A 77 -2.659 10.528 11.333 1.00 21.25 C ATOM 1316 CD GLU A 77 -3.890 11.215 10.749 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -3.716 11.947 9.749 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -4.986 10.983 11.307 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.123 9.272 10.353 1.00 2.11 H new ATOM 0 HA GLU A 77 -1.557 8.473 12.654 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.373 9.049 9.792 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -3.530 8.581 11.022 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -2.702 10.562 12.422 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -1.761 11.067 11.032 1.00 21.25 H new ATOM 1325 N LYS A 78 -1.887 6.044 12.480 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.115 4.609 12.486 1.00 62.24 C ATOM 1327 C LYS A 78 -3.603 4.299 12.298 1.00 52.53 C ATOM 1328 O LYS A 78 -4.446 4.813 13.036 1.00 41.41 O ATOM 1329 CB LYS A 78 -1.494 3.996 13.748 1.00 24.04 C ATOM 1330 CG LYS A 78 0.039 3.943 13.633 1.00 12.42 C ATOM 1331 CD LYS A 78 0.715 3.102 14.717 1.00 34.14 C ATOM 1332 CE LYS A 78 2.224 2.980 14.466 1.00 51.30 C ATOM 1333 NZ LYS A 78 2.872 2.122 15.470 1.00 3.34 N1+ ATOM 0 H LYS A 78 -1.899 6.460 13.411 1.00 34.45 H new ATOM 0 HA LYS A 78 -1.616 4.139 11.639 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -1.777 4.584 14.621 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -1.887 2.991 13.900 1.00 24.04 H new ATOM 0 HG2 LYS A 78 0.306 3.541 12.656 1.00 12.42 H new ATOM 0 HG3 LYS A 78 0.432 4.959 13.678 1.00 12.42 H new ATOM 0 HD2 LYS A 78 0.542 3.555 15.693 1.00 34.14 H new ATOM 0 HD3 LYS A 78 0.267 2.109 14.743 1.00 34.14 H new ATOM 0 HE2 LYS A 78 2.396 2.570 13.471 1.00 51.30 H new ATOM 0 HE3 LYS A 78 2.678 3.971 14.486 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 3.891 2.062 15.270 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 2.729 2.527 16.417 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 2.455 1.170 15.434 1.00 3.34 H new ATOM 1347 N VAL A 79 -3.869 3.499 11.260 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.185 3.230 10.701 1.00 74.43 C ATOM 1349 C VAL A 79 -5.408 1.716 10.591 1.00 74.30 C ATOM 1350 O VAL A 79 -4.569 0.995 10.049 1.00 24.50 O ATOM 1351 CB VAL A 79 -5.332 3.880 9.291 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -5.590 5.392 9.405 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -4.152 3.626 8.326 1.00 71.32 C ATOM 0 H VAL A 79 -3.130 2.999 10.766 1.00 4.14 H new ATOM 0 HA VAL A 79 -5.932 3.663 11.366 1.00 74.43 H new ATOM 0 HB VAL A 79 -6.193 3.378 8.850 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -5.689 5.821 8.408 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -6.509 5.563 9.966 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -4.756 5.865 9.922 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -4.349 4.118 7.373 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -3.235 4.026 8.759 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.039 2.554 8.164 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.557 1.269 11.120 1.00 63.33 N ATOM 1364 CA LYS A 80 -7.009 -0.118 11.056 1.00 34.21 C ATOM 1365 C LYS A 80 -7.516 -0.487 9.654 1.00 52.24 C ATOM 1366 O LYS A 80 -8.130 0.340 8.978 1.00 75.41 O ATOM 1367 CB LYS A 80 -8.047 -0.375 12.164 1.00 34.34 C ATOM 1368 CG LYS A 80 -7.377 -0.596 13.532 1.00 31.13 C ATOM 1369 CD LYS A 80 -8.379 -0.652 14.697 1.00 52.13 C ATOM 1370 CE LYS A 80 -7.796 -1.279 15.975 1.00 31.42 C ATOM 1371 NZ LYS A 80 -6.591 -0.577 16.455 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.208 1.880 11.614 1.00 63.33 H new ATOM 0 HA LYS A 80 -6.162 -0.780 11.238 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.730 0.472 12.226 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -8.645 -1.249 11.906 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -6.809 -1.526 13.505 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -6.663 0.208 13.714 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -8.722 0.358 14.921 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -9.254 -1.224 14.387 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -8.554 -1.268 16.758 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -7.551 -2.324 15.783 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -6.230 -1.050 17.308 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -5.861 -0.594 15.714 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -6.831 0.409 16.682 1.00 4.01 H new ATOM 1385 N THR A 81 -7.199 -1.723 9.245 1.00 10.31 N ATOM 1386 CA THR A 81 -7.345 -2.221 7.880 1.00 71.10 C ATOM 1387 C THR A 81 -7.215 -3.758 7.862 1.00 11.10 C ATOM 1388 O THR A 81 -6.779 -4.352 8.850 1.00 2.42 O ATOM 1389 CB THR A 81 -6.267 -1.572 6.956 1.00 64.15 C ATOM 1390 OG1 THR A 81 -6.444 -1.929 5.600 1.00 65.32 O ATOM 1391 CG2 THR A 81 -4.807 -1.901 7.323 1.00 11.32 C ATOM 0 H THR A 81 -6.821 -2.424 9.882 1.00 10.31 H new ATOM 0 HA THR A 81 -8.333 -1.950 7.506 1.00 71.10 H new ATOM 0 HB THR A 81 -6.426 -0.505 7.113 1.00 64.15 H new ATOM 0 HG1 THR A 81 -7.401 -1.949 5.389 1.00 65.32 H new ATOM 0 HG21 THR A 81 -4.135 -1.404 6.623 1.00 11.32 H new ATOM 0 HG22 THR A 81 -4.599 -1.553 8.335 1.00 11.32 H new ATOM 0 HG23 THR A 81 -4.653 -2.979 7.271 1.00 11.32 H new ATOM 1399 N VAL A 82 -7.598 -4.377 6.737 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.409 -5.803 6.471 1.00 65.00 C ATOM 1401 C VAL A 82 -6.975 -5.950 5.001 1.00 15.30 C ATOM 1402 O VAL A 82 -7.438 -5.179 4.160 1.00 20.31 O ATOM 1403 CB VAL A 82 -8.722 -6.632 6.637 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.421 -8.133 6.816 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.604 -6.165 7.805 1.00 75.14 C ATOM 0 H VAL A 82 -8.058 -3.885 5.971 1.00 12.10 H new ATOM 0 HA VAL A 82 -6.673 -6.176 7.184 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.276 -6.465 5.713 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.357 -8.681 6.929 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -7.887 -8.504 5.941 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -7.807 -8.277 7.705 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.497 -6.787 7.858 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -9.047 -6.250 8.738 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -9.894 -5.126 7.649 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.125 -6.950 4.716 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.710 -7.317 3.361 1.00 54.31 C ATOM 1417 C VAL A 83 -6.172 -8.758 3.070 1.00 42.34 C ATOM 1418 O VAL A 83 -6.149 -9.589 3.977 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.160 -7.281 3.209 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.682 -7.530 1.761 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.547 -5.972 3.741 1.00 52.03 C ATOM 0 H VAL A 83 -5.702 -7.534 5.437 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.155 -6.602 2.670 1.00 54.31 H new ATOM 0 HB VAL A 83 -3.803 -8.108 3.823 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.593 -7.491 1.726 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.021 -8.511 1.430 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.094 -6.763 1.105 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.465 -5.998 3.612 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -3.958 -5.127 3.189 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -3.783 -5.863 4.800 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.546 -9.036 1.810 1.00 61.33 N ATOM 1432 CA GLN A 84 -6.743 -10.381 1.259 1.00 41.54 C ATOM 1433 C GLN A 84 -6.059 -10.488 -0.111 1.00 4.15 C ATOM 1434 O GLN A 84 -5.983 -9.491 -0.827 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.243 -10.739 1.162 1.00 50.45 C ATOM 1436 CG GLN A 84 -8.866 -11.183 2.502 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.866 -10.167 3.051 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -9.446 -9.366 4.026 1.00 4.12 O flip ATOM 1439 NE2 GLN A 84 -11.009 -10.112 2.604 1.00 32.13 N flip ATOM 0 H GLN A 84 -6.725 -8.302 1.125 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.286 -11.101 1.937 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.790 -9.874 0.787 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.370 -11.538 0.431 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -9.366 -12.142 2.366 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -8.073 -11.338 3.233 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -11.295 -10.743 1.855 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -11.672 -9.435 2.981 1.00 32.13 H new ATOM 1448 N LEU A 85 -5.602 -11.703 -0.451 1.00 40.43 N ATOM 1449 CA LEU A 85 -4.996 -12.048 -1.739 1.00 51.31 C ATOM 1450 C LEU A 85 -6.024 -12.879 -2.527 1.00 54.41 C ATOM 1451 O LEU A 85 -6.501 -13.890 -2.011 1.00 41.12 O ATOM 1452 CB LEU A 85 -3.670 -12.809 -1.467 1.00 65.52 C ATOM 1453 CG LEU A 85 -2.617 -12.769 -2.605 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -1.210 -13.126 -2.073 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -2.993 -13.646 -3.813 1.00 64.25 C ATOM 0 H LEU A 85 -5.647 -12.497 0.188 1.00 40.43 H new ATOM 0 HA LEU A 85 -4.745 -11.172 -2.337 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -3.217 -12.398 -0.565 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -3.909 -13.851 -1.257 1.00 65.52 H new ATOM 0 HG LEU A 85 -2.601 -11.742 -2.969 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -0.492 -13.090 -2.892 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -0.919 -12.410 -1.304 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -1.226 -14.129 -1.648 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -2.214 -13.573 -4.572 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -3.091 -14.683 -3.493 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -3.940 -13.304 -4.230 1.00 64.25 H new ATOM 1467 N GLU A 86 -6.356 -12.431 -3.750 1.00 40.40 N ATOM 1468 CA GLU A 86 -7.387 -13.027 -4.615 1.00 12.40 C ATOM 1469 C GLU A 86 -6.883 -14.189 -5.504 1.00 63.23 C ATOM 1470 O GLU A 86 -7.606 -14.614 -6.403 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.089 -11.905 -5.414 1.00 41.14 C ATOM 1472 CG GLU A 86 -7.173 -11.127 -6.374 1.00 61.31 C ATOM 1473 CD GLU A 86 -7.916 -10.012 -7.108 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -7.804 -8.855 -6.649 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -8.563 -10.327 -8.129 1.00 12.13 O1- ATOM 0 H GLU A 86 -5.902 -11.623 -4.175 1.00 40.40 H new ATOM 0 HA GLU A 86 -8.119 -13.513 -3.970 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -8.905 -12.343 -5.988 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -8.536 -11.202 -4.711 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -6.342 -10.699 -5.813 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -6.745 -11.816 -7.102 1.00 61.31 H new ATOM 1482 N GLY A 87 -5.673 -14.699 -5.225 1.00 52.41 N ATOM 1483 CA GLY A 87 -5.062 -15.874 -5.854 1.00 62.21 C ATOM 1484 C GLY A 87 -4.382 -15.576 -7.201 1.00 53.52 C ATOM 1485 O GLY A 87 -3.681 -16.452 -7.709 1.00 50.23 O ATOM 0 H GLY A 87 -5.067 -14.280 -4.520 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -4.325 -16.297 -5.172 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -5.829 -16.633 -6.005 1.00 62.21 H new ATOM 1489 N ASP A 88 -4.581 -14.378 -7.775 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.202 -14.016 -9.145 1.00 30.21 C ATOM 1491 C ASP A 88 -3.153 -12.891 -9.147 1.00 42.45 C ATOM 1492 O ASP A 88 -3.333 -11.906 -9.861 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.432 -13.641 -10.021 1.00 73.41 C ATOM 1494 CG ASP A 88 -6.586 -14.651 -10.033 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -7.706 -14.208 -10.367 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -6.323 -15.854 -9.817 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.027 -13.608 -7.276 1.00 71.04 H new ATOM 0 HA ASP A 88 -3.754 -14.901 -9.596 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -5.819 -12.682 -9.676 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -5.092 -13.497 -11.046 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.074 -13.056 -8.350 1.00 55.11 N ATOM 1502 CA ASN A 89 -0.967 -12.095 -8.138 1.00 54.15 C ATOM 1503 C ASN A 89 -1.433 -10.647 -7.870 1.00 13.15 C ATOM 1504 O ASN A 89 -0.889 -9.698 -8.431 1.00 32.05 O ATOM 1505 CB ASN A 89 0.180 -12.230 -9.188 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.221 -12.482 -10.646 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.133 -13.609 -11.128 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.660 -11.441 -11.352 1.00 72.24 N ATOM 0 H ASN A 89 -1.944 -13.910 -7.807 1.00 55.11 H new ATOM 0 HA ASN A 89 -0.506 -12.392 -7.196 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.775 -11.317 -9.156 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.831 -13.046 -8.872 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.936 -11.565 -12.326 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.720 -10.520 -10.919 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.470 -10.531 -7.026 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.159 -9.298 -6.670 1.00 43.31 C ATOM 1517 C LYS A 90 -3.554 -9.367 -5.190 1.00 61.44 C ATOM 1518 O LYS A 90 -3.999 -10.418 -4.725 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.423 -9.144 -7.545 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.199 -8.783 -9.026 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.452 -9.034 -9.885 1.00 4.11 C ATOM 1522 CE LYS A 90 -6.555 -7.969 -9.742 1.00 2.42 C ATOM 1523 NZ LYS A 90 -6.338 -6.842 -10.663 1.00 43.54 N1+ ATOM 0 H LYS A 90 -2.865 -11.343 -6.552 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.507 -8.441 -6.837 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -4.982 -10.079 -7.503 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.054 -8.375 -7.099 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.913 -7.734 -9.103 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.368 -9.369 -9.419 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -5.153 -9.089 -10.932 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -5.868 -10.006 -9.621 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -7.527 -8.421 -9.941 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -6.578 -7.603 -8.716 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -6.468 -5.946 -10.152 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -5.371 -6.886 -11.044 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -7.021 -6.897 -11.446 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.431 -8.227 -4.500 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.923 -7.998 -3.141 1.00 71.14 C ATOM 1539 C LEU A 91 -5.003 -6.910 -3.201 1.00 73.50 C ATOM 1540 O LEU A 91 -4.902 -5.996 -4.019 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.766 -7.505 -2.244 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.650 -8.529 -1.948 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.325 -7.824 -1.617 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.048 -9.516 -0.837 1.00 11.33 C ATOM 0 H LEU A 91 -2.967 -7.407 -4.891 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.328 -8.923 -2.730 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -2.314 -6.633 -2.716 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -3.186 -7.172 -1.295 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.504 -9.114 -2.856 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.443 -8.570 -1.413 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -0.018 -7.210 -2.464 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.459 -7.191 -0.739 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.232 -10.217 -0.664 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.255 -8.966 0.081 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -2.940 -10.065 -1.140 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.990 -7.003 -2.302 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.041 -6.003 -2.120 1.00 22.23 C ATOM 1558 C VAL A 92 -7.121 -5.671 -0.624 1.00 44.13 C ATOM 1559 O VAL A 92 -7.132 -6.585 0.202 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.431 -6.522 -2.592 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.569 -5.498 -2.392 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.397 -6.967 -4.065 1.00 33.22 C ATOM 0 H VAL A 92 -6.079 -7.796 -1.667 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.794 -5.127 -2.719 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.647 -7.380 -1.956 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.509 -5.925 -2.742 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.655 -5.251 -1.334 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.348 -4.593 -2.959 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.384 -7.323 -4.360 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.113 -6.123 -4.694 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.670 -7.770 -4.186 1.00 33.22 H new ATOM 1572 N THR A 93 -7.178 -4.368 -0.308 1.00 63.53 N ATOM 1573 CA THR A 93 -7.193 -3.852 1.055 1.00 13.43 C ATOM 1574 C THR A 93 -7.996 -2.543 1.146 1.00 2.45 C ATOM 1575 O THR A 93 -7.983 -1.743 0.211 1.00 12.21 O ATOM 1576 CB THR A 93 -5.747 -3.677 1.605 1.00 65.32 C ATOM 1577 OG1 THR A 93 -5.750 -3.175 2.928 1.00 23.40 O ATOM 1578 CG2 THR A 93 -4.837 -2.724 0.815 1.00 32.30 C ATOM 0 H THR A 93 -7.216 -3.633 -1.015 1.00 63.53 H new ATOM 0 HA THR A 93 -7.695 -4.586 1.685 1.00 13.43 H new ATOM 0 HB THR A 93 -5.350 -4.689 1.526 1.00 65.32 H new ATOM 0 HG1 THR A 93 -6.297 -3.756 3.497 1.00 23.40 H new ATOM 0 HG21 THR A 93 -3.857 -2.680 1.289 1.00 32.30 H new ATOM 0 HG22 THR A 93 -4.730 -3.087 -0.207 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.278 -1.727 0.802 1.00 32.30 H new ATOM 1586 N THR A 94 -8.702 -2.373 2.271 1.00 31.54 N ATOM 1587 CA THR A 94 -9.575 -1.237 2.558 1.00 61.25 C ATOM 1588 C THR A 94 -9.390 -0.828 4.028 1.00 52.21 C ATOM 1589 O THR A 94 -9.498 -1.666 4.926 1.00 72.24 O ATOM 1590 CB THR A 94 -11.075 -1.582 2.334 1.00 73.32 C ATOM 1591 OG1 THR A 94 -11.413 -2.825 2.924 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.478 -1.642 0.855 1.00 71.41 C ATOM 0 H THR A 94 -8.677 -3.051 3.033 1.00 31.54 H new ATOM 0 HA THR A 94 -9.303 -0.429 1.879 1.00 61.25 H new ATOM 0 HB THR A 94 -11.619 -0.766 2.808 1.00 73.32 H new ATOM 0 HG1 THR A 94 -10.911 -2.939 3.758 1.00 22.12 H new ATOM 0 HG21 THR A 94 -12.537 -1.887 0.776 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.294 -0.674 0.388 1.00 71.41 H new ATOM 0 HG23 THR A 94 -10.890 -2.407 0.348 1.00 71.41 H new ATOM 1600 N PHE A 95 -9.124 0.473 4.213 1.00 12.34 N ATOM 1601 CA PHE A 95 -8.896 1.140 5.493 1.00 32.24 C ATOM 1602 C PHE A 95 -10.256 1.585 6.064 1.00 42.34 C ATOM 1603 O PHE A 95 -10.965 0.747 6.622 1.00 52.11 O ATOM 1604 CB PHE A 95 -7.890 2.298 5.269 1.00 51.52 C ATOM 1605 CG PHE A 95 -6.507 1.875 4.799 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -5.476 1.645 5.732 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -6.274 1.561 3.440 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -4.239 1.179 5.303 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.037 1.084 3.033 1.00 31.44 C ATOM 1610 CZ PHE A 95 -4.021 0.899 3.961 1.00 4.31 C ATOM 0 H PHE A 95 -9.060 1.120 3.427 1.00 12.34 H new ATOM 0 HA PHE A 95 -8.451 0.478 6.236 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -8.310 2.986 4.535 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -7.785 2.852 6.202 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -5.648 1.831 6.782 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.064 1.693 2.715 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -3.443 1.034 6.018 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -4.864 0.856 1.992 1.00 31.44 H new ATOM 0 HZ PHE A 95 -3.057 0.536 3.637 1.00 4.31 H new ATOM 1620 N LYS A 96 -10.612 2.868 5.883 1.00 53.44 N ATOM 1621 CA LYS A 96 -11.958 3.403 6.108 1.00 45.34 C ATOM 1622 C LYS A 96 -12.656 3.683 4.770 1.00 4.11 C ATOM 1623 O LYS A 96 -13.779 3.221 4.569 1.00 13.52 O ATOM 1624 CB LYS A 96 -11.891 4.697 6.946 1.00 23.43 C ATOM 1625 CG LYS A 96 -11.642 4.465 8.445 1.00 21.04 C ATOM 1626 CD LYS A 96 -11.741 5.772 9.247 1.00 75.14 C ATOM 1627 CE LYS A 96 -11.661 5.552 10.764 1.00 20.32 C ATOM 1628 NZ LYS A 96 -11.774 6.826 11.493 1.00 11.43 N1+ ATOM 0 H LYS A 96 -9.951 3.578 5.568 1.00 53.44 H new ATOM 0 HA LYS A 96 -12.534 2.657 6.656 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -11.097 5.331 6.551 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -12.826 5.244 6.825 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -12.368 3.748 8.828 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -10.655 4.025 8.586 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -10.938 6.442 8.940 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -12.681 6.269 9.007 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -12.458 4.878 11.079 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -10.717 5.069 11.015 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -11.717 6.647 12.516 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -10.999 7.459 11.208 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -12.686 7.274 11.271 1.00 11.43 H new ATOM 1642 N ASN A 97 -11.985 4.454 3.900 1.00 10.42 N ATOM 1643 CA ASN A 97 -12.546 5.005 2.661 1.00 75.11 C ATOM 1644 C ASN A 97 -11.525 5.029 1.504 1.00 61.01 C ATOM 1645 O ASN A 97 -11.784 5.692 0.499 1.00 22.13 O ATOM 1646 CB ASN A 97 -13.196 6.390 2.940 1.00 25.42 C ATOM 1647 CG ASN A 97 -12.232 7.522 3.335 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -11.199 7.295 3.965 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.580 8.760 2.981 1.00 5.41 N ATOM 0 H ASN A 97 -11.010 4.717 4.045 1.00 10.42 H new ATOM 0 HA ASN A 97 -13.335 4.336 2.316 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -13.741 6.699 2.048 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -13.930 6.270 3.737 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -11.984 9.549 3.232 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -13.442 8.918 2.459 1.00 5.41 H new ATOM 1656 N ILE A 98 -10.401 4.311 1.661 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.329 4.208 0.674 1.00 2.05 C ATOM 1658 C ILE A 98 -9.305 2.748 0.183 1.00 35.23 C ATOM 1659 O ILE A 98 -8.776 1.880 0.877 1.00 55.31 O ATOM 1660 CB ILE A 98 -7.942 4.586 1.285 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -7.953 6.012 1.888 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -6.787 4.451 0.265 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -6.707 6.357 2.716 1.00 5.42 C ATOM 0 H ILE A 98 -10.214 3.772 2.506 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.515 4.903 -0.145 1.00 2.05 H new ATOM 0 HB ILE A 98 -7.762 3.869 2.086 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.049 6.736 1.078 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -8.835 6.121 2.519 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -5.846 4.726 0.742 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -6.729 3.420 -0.085 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -6.971 5.112 -0.582 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -6.796 7.373 3.101 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -6.619 5.659 3.549 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -5.820 6.284 2.086 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.917 2.501 -0.986 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.985 1.180 -1.613 1.00 15.10 C ATOM 1677 C LYS A 99 -8.744 0.973 -2.492 1.00 10.35 C ATOM 1678 O LYS A 99 -8.645 1.575 -3.561 1.00 24.53 O ATOM 1679 CB LYS A 99 -11.310 1.048 -2.395 1.00 51.34 C ATOM 1680 CG LYS A 99 -11.562 -0.360 -2.972 1.00 22.43 C ATOM 1681 CD LYS A 99 -12.738 -0.428 -3.960 1.00 32.12 C ATOM 1682 CE LYS A 99 -14.093 -0.014 -3.369 1.00 42.11 C ATOM 1683 NZ LYS A 99 -15.172 -0.163 -4.361 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.385 3.228 -1.527 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.982 0.391 -0.861 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -12.137 1.312 -1.736 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -11.311 1.769 -3.212 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -10.658 -0.703 -3.475 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -11.751 -1.050 -2.150 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -12.517 0.214 -4.813 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -12.818 -1.446 -4.340 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -14.313 -0.625 -2.493 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -14.045 1.021 -3.032 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -16.077 0.124 -3.936 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -14.971 0.438 -5.185 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -15.231 -1.156 -4.663 1.00 33.01 H new ATOM 1697 N SER A 100 -7.820 0.142 -1.999 1.00 21.55 N ATOM 1698 CA SER A 100 -6.497 -0.073 -2.567 1.00 50.10 C ATOM 1699 C SER A 100 -6.373 -1.493 -3.122 1.00 4.35 C ATOM 1700 O SER A 100 -6.417 -2.453 -2.355 1.00 70.42 O ATOM 1701 CB SER A 100 -5.465 0.237 -1.464 1.00 11.03 C ATOM 1702 OG SER A 100 -4.145 -0.122 -1.822 1.00 24.44 O ATOM 0 H SER A 100 -7.985 -0.417 -1.162 1.00 21.55 H new ATOM 0 HA SER A 100 -6.316 0.588 -3.414 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.496 1.302 -1.235 1.00 11.03 H new ATOM 0 HB3 SER A 100 -5.745 -0.293 -0.554 1.00 11.03 H new ATOM 0 HG SER A 100 -3.535 0.098 -1.087 1.00 24.44 H new ATOM 1708 N VAL A 101 -6.150 -1.583 -4.441 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.706 -2.801 -5.109 1.00 23.22 C ATOM 1710 C VAL A 101 -4.203 -2.645 -5.388 1.00 63.20 C ATOM 1711 O VAL A 101 -3.802 -1.649 -5.987 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.438 -3.029 -6.463 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -5.932 -4.268 -7.239 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -7.959 -3.137 -6.265 1.00 60.44 C ATOM 0 H VAL A 101 -6.277 -0.796 -5.078 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.926 -3.655 -4.468 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.206 -2.151 -7.066 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -6.487 -4.365 -8.172 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -4.871 -4.151 -7.458 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.081 -5.162 -6.634 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.441 -3.296 -7.230 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.181 -3.976 -5.606 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.334 -2.216 -5.819 1.00 60.44 H new ATOM 1724 N THR A 102 -3.417 -3.647 -4.974 1.00 1.42 N ATOM 1725 CA THR A 102 -2.015 -3.809 -5.358 1.00 32.21 C ATOM 1726 C THR A 102 -1.929 -5.014 -6.308 1.00 75.43 C ATOM 1727 O THR A 102 -2.697 -5.963 -6.151 1.00 20.23 O ATOM 1728 CB THR A 102 -1.112 -4.099 -4.131 1.00 51.52 C ATOM 1729 OG1 THR A 102 -1.304 -3.100 -3.148 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.396 -4.177 -4.433 1.00 34.32 C ATOM 0 H THR A 102 -3.748 -4.382 -4.349 1.00 1.42 H new ATOM 0 HA THR A 102 -1.671 -2.886 -5.825 1.00 32.21 H new ATOM 0 HB THR A 102 -1.418 -5.087 -3.788 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.922 -2.254 -3.462 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.941 -4.383 -3.512 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.582 -4.975 -5.152 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.733 -3.228 -4.850 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.012 -4.960 -7.283 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.851 -5.989 -8.303 1.00 73.42 C ATOM 1740 C GLU A 103 0.634 -6.203 -8.630 1.00 13.32 C ATOM 1741 O GLU A 103 1.434 -5.275 -8.532 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.762 -5.646 -9.504 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.585 -6.525 -10.757 1.00 32.21 C ATOM 1744 CD GLU A 103 -2.612 -6.171 -11.829 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -2.315 -5.255 -12.623 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -3.685 -6.810 -11.823 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.355 -4.186 -7.381 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.182 -6.964 -7.944 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.800 -5.716 -9.179 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -1.585 -4.608 -9.785 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.579 -6.395 -11.156 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.687 -7.576 -10.485 1.00 32.21 H new ATOM 1753 N LEU A 104 0.959 -7.453 -8.987 1.00 42.30 N ATOM 1754 CA LEU A 104 2.292 -7.962 -9.282 1.00 11.24 C ATOM 1755 C LEU A 104 2.260 -8.543 -10.703 1.00 73.12 C ATOM 1756 O LEU A 104 1.457 -9.437 -10.963 1.00 4.51 O ATOM 1757 CB LEU A 104 2.627 -9.013 -8.191 1.00 54.01 C ATOM 1758 CG LEU A 104 3.781 -10.002 -8.473 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.155 -9.324 -8.421 1.00 75.11 C ATOM 1760 CD2 LEU A 104 3.719 -11.180 -7.494 1.00 4.54 C ATOM 0 H LEU A 104 0.247 -8.177 -9.082 1.00 42.30 H new ATOM 0 HA LEU A 104 3.070 -7.199 -9.261 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.862 -8.478 -7.271 1.00 54.01 H new ATOM 0 HB3 LEU A 104 1.726 -9.596 -7.999 1.00 54.01 H new ATOM 0 HG LEU A 104 3.651 -10.375 -9.489 1.00 32.33 H new ATOM 0 HD11 LEU A 104 5.932 -10.060 -8.626 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.199 -8.533 -9.169 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.312 -8.896 -7.431 1.00 75.11 H new ATOM 0 HD21 LEU A 104 4.537 -11.870 -7.703 1.00 4.54 H new ATOM 0 HD22 LEU A 104 3.808 -10.809 -6.473 1.00 4.54 H new ATOM 0 HD23 LEU A 104 2.768 -11.699 -7.610 1.00 4.54 H new ATOM 1772 N ASN A 105 3.127 -8.033 -11.589 1.00 34.14 N ATOM 1773 CA ASN A 105 3.281 -8.461 -12.984 1.00 71.15 C ATOM 1774 C ASN A 105 4.776 -8.731 -13.219 1.00 24.52 C ATOM 1775 O ASN A 105 5.473 -7.886 -13.781 1.00 10.23 O ATOM 1776 CB ASN A 105 2.740 -7.353 -13.935 1.00 53.44 C ATOM 1777 CG ASN A 105 1.216 -7.238 -14.109 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.769 -6.476 -14.962 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.403 -7.971 -13.347 1.00 74.43 N ATOM 0 H ASN A 105 3.767 -7.279 -11.341 1.00 34.14 H new ATOM 0 HA ASN A 105 2.711 -9.367 -13.189 1.00 71.15 H new ATOM 0 HB2 ASN A 105 3.109 -6.393 -13.575 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.178 -7.514 -14.920 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.608 -7.904 -13.468 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.792 -8.599 -12.643 1.00 74.43 H new ATOM 1786 N GLY A 106 5.246 -9.911 -12.777 1.00 41.51 N ATOM 1787 CA GLY A 106 6.642 -10.336 -12.913 1.00 24.53 C ATOM 1788 C GLY A 106 7.519 -9.520 -11.954 1.00 44.41 C ATOM 1789 O GLY A 106 7.354 -9.612 -10.740 1.00 71.31 O ATOM 0 H GLY A 106 4.657 -10.601 -12.311 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.733 -11.399 -12.691 1.00 24.53 H new ATOM 0 HA3 GLY A 106 6.978 -10.195 -13.940 1.00 24.53 H new ATOM 1793 N ASP A 107 8.448 -8.735 -12.519 1.00 35.04 N ATOM 1794 CA ASP A 107 9.281 -7.759 -11.807 1.00 74.01 C ATOM 1795 C ASP A 107 8.648 -6.362 -11.682 1.00 4.24 C ATOM 1796 O ASP A 107 9.179 -5.551 -10.926 1.00 62.20 O ATOM 1797 CB ASP A 107 10.706 -7.670 -12.405 1.00 2.23 C ATOM 1798 CG ASP A 107 11.601 -8.879 -12.098 1.00 32.02 C ATOM 1799 OD1 ASP A 107 12.768 -8.824 -12.536 1.00 52.24 O ATOM 1800 OD2 ASP A 107 11.140 -9.807 -11.396 1.00 30.24 O1- ATOM 0 H ASP A 107 8.646 -8.764 -13.519 1.00 35.04 H new ATOM 0 HA ASP A 107 9.356 -8.145 -10.790 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.626 -7.558 -13.486 1.00 2.23 H new ATOM 0 HB3 ASP A 107 11.190 -6.770 -12.026 1.00 2.23 H new ATOM 1805 N ILE A 108 7.535 -6.096 -12.383 1.00 2.50 N ATOM 1806 CA ILE A 108 6.793 -4.839 -12.282 1.00 64.11 C ATOM 1807 C ILE A 108 5.724 -4.973 -11.180 1.00 2.11 C ATOM 1808 O ILE A 108 5.077 -6.013 -11.075 1.00 22.32 O ATOM 1809 CB ILE A 108 6.123 -4.440 -13.638 1.00 55.52 C ATOM 1810 CG1 ILE A 108 7.180 -4.102 -14.723 1.00 22.44 C ATOM 1811 CG2 ILE A 108 5.146 -3.245 -13.526 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.967 -5.299 -15.280 1.00 60.45 C ATOM 0 H ILE A 108 7.124 -6.758 -13.042 1.00 2.50 H new ATOM 0 HA ILE A 108 7.498 -4.047 -12.029 1.00 64.11 H new ATOM 0 HB ILE A 108 5.550 -5.321 -13.926 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.677 -3.604 -15.552 1.00 22.44 H new ATOM 0 HG13 ILE A 108 7.889 -3.388 -14.304 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.722 -3.028 -14.507 1.00 22.33 H new ATOM 0 HG22 ILE A 108 4.344 -3.494 -12.831 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.683 -2.369 -13.161 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.677 -4.950 -16.030 1.00 60.45 H new ATOM 0 HD12 ILE A 108 8.507 -5.789 -14.469 1.00 60.45 H new ATOM 0 HD13 ILE A 108 7.276 -6.008 -15.736 1.00 60.45 H new ATOM 1824 N ILE A 109 5.557 -3.899 -10.398 1.00 40.12 N ATOM 1825 CA ILE A 109 4.496 -3.733 -9.408 1.00 22.33 C ATOM 1826 C ILE A 109 3.582 -2.586 -9.858 1.00 1.23 C ATOM 1827 O ILE A 109 4.051 -1.607 -10.436 1.00 51.11 O ATOM 1828 CB ILE A 109 5.084 -3.412 -8.001 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.846 -4.620 -7.425 1.00 33.11 C ATOM 1830 CG2 ILE A 109 4.094 -2.850 -6.951 1.00 12.12 C ATOM 1831 CD1 ILE A 109 5.004 -5.880 -7.184 1.00 34.14 C ATOM 0 H ILE A 109 6.182 -3.095 -10.442 1.00 40.12 H new ATOM 0 HA ILE A 109 3.933 -4.663 -9.332 1.00 22.33 H new ATOM 0 HB ILE A 109 5.770 -2.588 -8.197 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.659 -4.872 -8.106 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.302 -4.323 -6.480 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.622 -2.667 -6.015 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.668 -1.915 -7.316 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.295 -3.571 -6.782 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.637 -6.669 -6.778 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.206 -5.655 -6.476 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.569 -6.213 -8.126 1.00 34.14 H new ATOM 1843 N THR A 110 2.288 -2.749 -9.570 1.00 33.21 N ATOM 1844 CA THR A 110 1.214 -1.814 -9.862 1.00 2.23 C ATOM 1845 C THR A 110 0.441 -1.546 -8.558 1.00 12.04 C ATOM 1846 O THR A 110 0.341 -2.431 -7.707 1.00 75.51 O ATOM 1847 CB THR A 110 0.254 -2.453 -10.905 1.00 74.14 C ATOM 1848 OG1 THR A 110 0.933 -2.546 -12.141 1.00 72.01 O ATOM 1849 CG2 THR A 110 -1.084 -1.731 -11.157 1.00 2.10 C ATOM 0 H THR A 110 1.949 -3.588 -9.099 1.00 33.21 H new ATOM 0 HA THR A 110 1.617 -0.883 -10.261 1.00 2.23 H new ATOM 0 HB THR A 110 -0.018 -3.415 -10.471 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.341 -2.949 -12.810 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.658 -2.279 -11.904 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.652 -1.682 -10.228 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.890 -0.721 -11.518 1.00 2.10 H new ATOM 1857 N ASN A 111 -0.106 -0.330 -8.432 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.999 0.052 -7.344 1.00 43.31 C ATOM 1859 C ASN A 111 -2.085 0.984 -7.890 1.00 23.34 C ATOM 1860 O ASN A 111 -1.818 1.782 -8.790 1.00 30.24 O ATOM 1861 CB ASN A 111 -0.221 0.734 -6.194 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.797 0.388 -4.819 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -0.091 -0.446 -4.054 1.00 15.41 O flip ATOM 1864 ND2 ASN A 111 -1.866 0.868 -4.454 1.00 44.55 N flip ATOM 0 H ASN A 111 0.066 0.424 -9.097 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.462 -0.846 -6.935 1.00 43.31 H new ATOM 0 HB2 ASN A 111 0.825 0.429 -6.235 1.00 72.52 H new ATOM 0 HB3 ASN A 111 -0.244 1.815 -6.334 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -2.376 1.502 -5.068 1.00 44.55 H new ATOM 0 HD22 ASN A 111 -2.244 0.632 -3.536 1.00 44.55 H new ATOM 1871 N THR A 112 -3.288 0.860 -7.314 1.00 70.33 N ATOM 1872 CA THR A 112 -4.471 1.641 -7.643 1.00 53.43 C ATOM 1873 C THR A 112 -5.263 1.873 -6.342 1.00 64.33 C ATOM 1874 O THR A 112 -6.156 1.091 -6.012 1.00 23.24 O ATOM 1875 CB THR A 112 -5.371 0.921 -8.689 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.623 0.632 -9.854 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.600 1.734 -9.135 1.00 71.42 C ATOM 0 H THR A 112 -3.463 0.180 -6.574 1.00 70.33 H new ATOM 0 HA THR A 112 -4.160 2.587 -8.087 1.00 53.43 H new ATOM 0 HB THR A 112 -5.724 0.022 -8.184 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.069 -0.078 -10.361 1.00 1.20 H new ATOM 0 HG21 THR A 112 -7.172 1.159 -9.864 1.00 71.42 H new ATOM 0 HG22 THR A 112 -7.227 1.949 -8.270 1.00 71.42 H new ATOM 0 HG23 THR A 112 -6.272 2.670 -9.588 1.00 71.42 H new ATOM 1885 N MET A 113 -4.898 2.944 -5.618 1.00 51.12 N ATOM 1886 CA MET A 113 -5.653 3.454 -4.473 1.00 1.03 C ATOM 1887 C MET A 113 -6.764 4.385 -4.960 1.00 4.14 C ATOM 1888 O MET A 113 -6.530 5.163 -5.880 1.00 24.23 O ATOM 1889 CB MET A 113 -4.720 4.170 -3.479 1.00 21.14 C ATOM 1890 CG MET A 113 -3.634 3.254 -2.890 1.00 14.13 C ATOM 1891 SD MET A 113 -3.402 3.402 -1.096 1.00 42.25 S ATOM 1892 CE MET A 113 -2.771 5.093 -0.995 1.00 63.21 C ATOM 0 H MET A 113 -4.057 3.484 -5.819 1.00 51.12 H new ATOM 0 HA MET A 113 -6.110 2.616 -3.947 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.242 5.010 -3.982 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.317 4.583 -2.666 1.00 21.14 H new ATOM 0 HG2 MET A 113 -3.884 2.220 -3.125 1.00 14.13 H new ATOM 0 HG3 MET A 113 -2.687 3.473 -3.384 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.776 5.422 0.044 1.00 63.21 H new ATOM 0 HE2 MET A 113 -1.752 5.125 -1.381 1.00 63.21 H new ATOM 0 HE3 MET A 113 -3.404 5.754 -1.587 1.00 63.21 H new ATOM 1902 N THR A 114 -7.945 4.278 -4.341 1.00 31.21 N ATOM 1903 CA THR A 114 -9.146 5.021 -4.710 1.00 32.02 C ATOM 1904 C THR A 114 -9.735 5.649 -3.436 1.00 0.44 C ATOM 1905 O THR A 114 -10.346 4.942 -2.634 1.00 11.44 O ATOM 1906 CB THR A 114 -10.202 4.096 -5.372 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.648 3.515 -6.537 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.513 4.796 -5.776 1.00 33.33 C ATOM 0 H THR A 114 -8.091 3.654 -3.548 1.00 31.21 H new ATOM 0 HA THR A 114 -8.880 5.791 -5.434 1.00 32.02 H new ATOM 0 HB THR A 114 -10.457 3.358 -4.611 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.311 2.929 -6.957 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.188 4.070 -6.230 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.983 5.226 -4.892 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.297 5.588 -6.493 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.509 6.960 -3.278 1.00 10.34 N ATOM 1917 CA LEU A 115 -9.953 7.763 -2.141 1.00 5.52 C ATOM 1918 C LEU A 115 -10.900 8.851 -2.647 1.00 24.12 C ATOM 1919 O LEU A 115 -10.472 9.698 -3.434 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.713 8.366 -1.441 1.00 61.42 C ATOM 1921 CG LEU A 115 -8.993 9.430 -0.350 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -9.891 8.924 0.794 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -7.686 10.020 0.189 1.00 4.21 C ATOM 0 H LEU A 115 -8.992 7.507 -3.967 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.491 7.153 -1.415 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.146 7.553 -0.989 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.075 8.815 -2.202 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.559 10.222 -0.841 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -10.042 9.724 1.519 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -10.855 8.613 0.390 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -9.413 8.076 1.284 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -7.911 10.764 0.953 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -7.080 9.225 0.624 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -7.136 10.491 -0.626 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.148 8.829 -2.150 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.193 9.784 -2.511 1.00 30.35 C ATOM 1937 C GLY A 116 -13.572 9.582 -3.984 1.00 51.00 C ATOM 1938 O GLY A 116 -14.244 8.609 -4.323 1.00 22.24 O ATOM 0 H GLY A 116 -12.458 8.131 -1.474 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.067 9.643 -1.875 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -12.843 10.803 -2.349 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.117 10.516 -4.829 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.308 10.550 -6.283 1.00 14.31 C ATOM 1944 C ASP A 117 -11.965 10.536 -7.052 1.00 43.04 C ATOM 1945 O ASP A 117 -11.983 10.546 -8.284 1.00 1.34 O ATOM 1946 CB ASP A 117 -14.229 11.722 -6.727 1.00 3.04 C ATOM 1947 CG ASP A 117 -14.098 13.017 -5.908 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -12.942 13.415 -5.635 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -15.156 13.618 -5.621 1.00 23.23 O1- ATOM 0 H ASP A 117 -12.575 11.313 -4.496 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.826 9.629 -6.550 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -14.018 11.951 -7.771 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -15.265 11.385 -6.678 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.832 10.495 -6.328 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.467 10.518 -6.863 1.00 44.24 C ATOM 1956 C ILE A 118 -8.912 9.081 -6.904 1.00 5.21 C ATOM 1957 O ILE A 118 -9.178 8.310 -5.982 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.532 11.368 -5.942 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -9.068 12.810 -5.766 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -7.061 11.416 -6.424 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.379 13.601 -4.646 1.00 24.45 C ATOM 0 H ILE A 118 -10.848 10.443 -5.309 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.496 10.954 -7.862 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.539 10.856 -4.980 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -8.946 13.349 -6.705 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -10.138 12.766 -5.561 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.472 12.023 -5.736 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.655 10.405 -6.454 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -7.019 11.854 -7.421 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -8.811 14.600 -4.587 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.523 13.087 -3.696 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.313 13.679 -4.858 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.136 8.757 -7.954 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.515 7.443 -8.133 1.00 54.42 C ATOM 1975 C VAL A 119 -5.985 7.604 -8.232 1.00 43.45 C ATOM 1976 O VAL A 119 -5.457 7.820 -9.325 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.062 6.702 -9.391 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.401 5.325 -9.623 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.587 6.513 -9.311 1.00 54.54 C ATOM 0 H VAL A 119 -7.923 9.411 -8.707 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.767 6.833 -7.265 1.00 54.42 H new ATOM 0 HB VAL A 119 -7.809 7.344 -10.235 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -7.826 4.863 -10.514 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.327 5.455 -9.759 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -7.582 4.684 -8.760 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -9.937 5.993 -10.203 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -9.835 5.924 -8.428 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.071 7.487 -9.245 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.304 7.503 -7.079 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.845 7.503 -6.972 1.00 51.53 C ATOM 1991 C PHE A 120 -3.222 6.198 -7.492 1.00 21.53 C ATOM 1992 O PHE A 120 -3.378 5.150 -6.866 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.409 7.826 -5.530 1.00 62.43 C ATOM 1994 CG PHE A 120 -1.915 7.754 -5.234 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.461 7.224 -4.006 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -0.971 8.321 -6.117 1.00 1.44 C ATOM 1997 CE1 PHE A 120 -0.103 7.203 -3.715 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.384 8.276 -5.817 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.816 7.720 -4.620 1.00 63.23 C ATOM 0 H PHE A 120 -5.769 7.417 -6.175 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.464 8.293 -7.619 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.756 8.830 -5.286 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -3.923 7.139 -4.857 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -2.171 6.834 -3.292 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.304 8.792 -7.030 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.240 6.783 -2.781 1.00 44.00 H new ATOM 0 HE2 PHE A 120 1.104 8.674 -6.516 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.871 7.689 -4.391 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.500 6.317 -8.613 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.712 5.256 -9.222 1.00 24.41 C ATOM 2011 C LYS A 121 -0.251 5.332 -8.756 1.00 1.12 C ATOM 2012 O LYS A 121 0.292 6.426 -8.607 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.759 5.421 -10.756 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.132 5.160 -11.401 1.00 13.52 C ATOM 2015 CD LYS A 121 -3.515 3.671 -11.436 1.00 1.43 C ATOM 2016 CE LYS A 121 -4.793 3.414 -12.245 1.00 11.33 C ATOM 2017 NZ LYS A 121 -5.035 1.973 -12.417 1.00 31.52 N1+ ATOM 0 H LYS A 121 -2.452 7.192 -9.135 1.00 14.14 H new ATOM 0 HA LYS A 121 -2.125 4.292 -8.926 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.444 6.434 -11.006 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.031 4.742 -11.201 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.895 5.711 -10.851 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.128 5.551 -12.418 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -2.694 3.098 -11.867 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.655 3.311 -10.417 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.644 3.870 -11.739 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -4.710 3.890 -13.222 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -6.013 1.821 -12.736 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -4.377 1.593 -13.127 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -4.886 1.485 -11.510 1.00 31.52 H new ATOM 2031 N ARG A 122 0.367 4.149 -8.639 1.00 54.11 N ATOM 2032 CA ARG A 122 1.815 3.962 -8.598 1.00 51.51 C ATOM 2033 C ARG A 122 2.168 2.795 -9.523 1.00 51.43 C ATOM 2034 O ARG A 122 1.395 1.846 -9.656 1.00 64.24 O ATOM 2035 CB ARG A 122 2.305 3.650 -7.170 1.00 71.25 C ATOM 2036 CG ARG A 122 2.369 4.861 -6.227 1.00 23.43 C ATOM 2037 CD ARG A 122 2.905 4.488 -4.833 1.00 72.20 C ATOM 2038 NE ARG A 122 4.309 4.040 -4.879 1.00 11.34 N ATOM 2039 CZ ARG A 122 4.911 3.226 -3.991 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.270 2.773 -2.904 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.177 2.845 -4.194 1.00 41.43 N ATOM 0 H ARG A 122 -0.147 3.271 -8.568 1.00 54.11 H new ATOM 0 HA ARG A 122 2.302 4.882 -8.921 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.646 2.901 -6.731 1.00 71.25 H new ATOM 0 HB3 ARG A 122 3.298 3.204 -7.232 1.00 71.25 H new ATOM 0 HG2 ARG A 122 3.008 5.627 -6.666 1.00 23.43 H new ATOM 0 HG3 ARG A 122 1.374 5.294 -6.127 1.00 23.43 H new ATOM 0 HD2 ARG A 122 2.822 5.350 -4.171 1.00 72.20 H new ATOM 0 HD3 ARG A 122 2.287 3.698 -4.407 1.00 72.20 H new ATOM 0 HE ARG A 122 4.877 4.378 -5.656 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.302 3.044 -2.733 1.00 71.04 H new ATOM 0 HH12 ARG A 122 4.751 2.157 -2.248 1.00 71.04 H new ATOM 0 HH21 ARG A 122 6.682 3.171 -5.018 1.00 41.43 H new ATOM 0 HH22 ARG A 122 6.638 2.229 -3.525 1.00 41.43 H new ATOM 2055 N ILE A 123 3.368 2.883 -10.106 1.00 23.42 N ATOM 2056 CA ILE A 123 4.026 1.811 -10.840 1.00 74.43 C ATOM 2057 C ILE A 123 5.476 1.781 -10.334 1.00 3.34 C ATOM 2058 O ILE A 123 6.119 2.831 -10.270 1.00 11.31 O ATOM 2059 CB ILE A 123 4.032 2.037 -12.383 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.602 2.164 -12.974 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.780 0.910 -13.133 1.00 70.43 C ATOM 2062 CD1 ILE A 123 1.953 3.554 -12.834 1.00 23.05 C ATOM 0 H ILE A 123 3.924 3.738 -10.075 1.00 23.42 H new ATOM 0 HA ILE A 123 3.489 0.878 -10.671 1.00 74.43 H new ATOM 0 HB ILE A 123 4.558 2.980 -12.531 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.639 1.904 -14.032 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.959 1.430 -12.488 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.759 1.109 -14.204 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.815 0.870 -12.792 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.295 -0.045 -12.932 1.00 70.43 H new ATOM 0 HD11 ILE A 123 0.958 3.537 -13.278 1.00 23.05 H new ATOM 0 HD12 ILE A 123 1.875 3.815 -11.778 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.566 4.295 -13.347 1.00 23.05 H new ATOM 2074 N SER A 124 5.954 0.581 -9.981 1.00 71.20 N ATOM 2075 CA SER A 124 7.305 0.326 -9.483 1.00 14.32 C ATOM 2076 C SER A 124 7.919 -0.869 -10.237 1.00 44.33 C ATOM 2077 O SER A 124 7.195 -1.593 -10.918 1.00 2.24 O ATOM 2078 CB SER A 124 7.237 0.086 -7.958 1.00 41.23 C ATOM 2079 OG SER A 124 6.949 1.283 -7.267 1.00 61.04 O ATOM 0 H SER A 124 5.389 -0.266 -10.037 1.00 71.20 H new ATOM 0 HA SER A 124 7.952 1.185 -9.661 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.471 -0.658 -7.738 1.00 41.23 H new ATOM 0 HB3 SER A 124 8.186 -0.320 -7.608 1.00 41.23 H new ATOM 0 HG SER A 124 6.910 1.104 -6.304 1.00 61.04 H new ATOM 2085 N LYS A 125 9.246 -1.050 -10.126 1.00 51.44 N ATOM 2086 CA LYS A 125 9.984 -2.118 -10.808 1.00 72.03 C ATOM 2087 C LYS A 125 11.177 -2.583 -9.961 1.00 64.24 C ATOM 2088 O LYS A 125 11.820 -1.760 -9.314 1.00 21.30 O ATOM 2089 CB LYS A 125 10.413 -1.639 -12.210 1.00 73.22 C ATOM 2090 CG LYS A 125 11.037 -2.728 -13.101 1.00 42.33 C ATOM 2091 CD LYS A 125 11.422 -2.193 -14.489 1.00 22.14 C ATOM 2092 CE LYS A 125 11.816 -3.295 -15.485 1.00 53.41 C ATOM 2093 NZ LYS A 125 12.970 -4.084 -15.017 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.840 -0.450 -9.553 1.00 51.44 H new ATOM 0 HA LYS A 125 9.334 -2.984 -10.935 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.542 -1.227 -12.720 1.00 73.22 H new ATOM 0 HB3 LYS A 125 11.131 -0.826 -12.097 1.00 73.22 H new ATOM 0 HG2 LYS A 125 11.923 -3.132 -12.611 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.331 -3.551 -13.214 1.00 42.33 H new ATOM 0 HD2 LYS A 125 10.584 -1.629 -14.897 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.254 -1.496 -14.383 1.00 22.14 H new ATOM 0 HE2 LYS A 125 10.966 -3.958 -15.645 1.00 53.41 H new ATOM 0 HE3 LYS A 125 12.054 -2.843 -16.448 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 13.199 -4.815 -15.721 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 13.790 -3.457 -14.889 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 12.736 -4.537 -14.111 1.00 45.34 H new ATOM 2107 N ARG A 126 11.441 -3.902 -10.005 1.00 3.51 N ATOM 2108 CA ARG A 126 12.438 -4.643 -9.223 1.00 31.02 C ATOM 2109 C ARG A 126 13.861 -4.066 -9.354 1.00 63.35 C ATOM 2110 O ARG A 126 14.257 -3.689 -10.459 1.00 31.35 O ATOM 2111 CB ARG A 126 12.403 -6.117 -9.680 1.00 1.25 C ATOM 2112 CG ARG A 126 13.138 -7.135 -8.783 1.00 25.20 C ATOM 2113 CD ARG A 126 12.225 -7.912 -7.816 1.00 61.54 C ATOM 2114 NE ARG A 126 11.386 -8.878 -8.547 1.00 13.10 N ATOM 2115 CZ ARG A 126 10.520 -9.763 -8.029 1.00 1.14 C ATOM 2116 NH1 ARG A 126 10.351 -9.888 -6.709 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 9.818 -10.541 -8.861 1.00 75.52 N ATOM 0 H ARG A 126 10.925 -4.518 -10.633 1.00 3.51 H new ATOM 0 HA ARG A 126 12.182 -4.556 -8.167 1.00 31.02 H new ATOM 0 HB2 ARG A 126 11.360 -6.424 -9.761 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.830 -6.174 -10.681 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.662 -7.848 -9.419 1.00 25.20 H new ATOM 0 HG3 ARG A 126 13.896 -6.608 -8.203 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.832 -8.437 -7.079 1.00 61.54 H new ATOM 0 HD3 ARG A 126 11.591 -7.215 -7.269 1.00 61.54 H new ATOM 0 HE ARG A 126 11.473 -8.874 -9.563 1.00 13.10 H new ATOM 0 HH11 ARG A 126 10.887 -9.303 -6.069 1.00 52.44 H new ATOM 0 HH12 ARG A 126 9.686 -10.569 -6.342 1.00 52.44 H new ATOM 0 HH21 ARG A 126 9.946 -10.455 -9.869 1.00 75.52 H new ATOM 0 HH22 ARG A 126 9.155 -11.220 -8.487 1.00 75.52 H new ATOM 2131 N ILE A 127 14.600 -4.035 -8.231 1.00 3.34 N ATOM 2132 CA ILE A 127 15.989 -3.549 -8.156 1.00 44.01 C ATOM 2133 C ILE A 127 16.896 -4.776 -8.101 1.00 43.14 C ATOM 2134 O ILE A 127 16.554 -5.880 -7.676 1.00 12.22 O ATOM 2135 CB ILE A 127 16.255 -2.598 -6.943 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.113 -1.589 -6.681 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.598 -1.848 -7.121 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.264 -0.778 -5.386 1.00 14.32 C ATOM 0 H ILE A 127 14.241 -4.354 -7.331 1.00 3.34 H new ATOM 0 HA ILE A 127 16.196 -2.941 -9.037 1.00 44.01 H new ATOM 0 HB ILE A 127 16.305 -3.242 -6.065 1.00 74.44 H new ATOM 0 HG12 ILE A 127 15.055 -0.899 -7.522 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.168 -2.130 -6.647 1.00 63.15 H new ATOM 0 HG21 ILE A 127 17.764 -1.192 -6.267 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.412 -2.570 -7.188 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.565 -1.254 -8.034 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.420 -0.096 -5.283 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.289 -1.456 -4.533 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.191 -0.205 -5.421 1.00 14.32 H new