USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1128 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 26 THR OG1 : rot 132:sc= 0.818 USER MOD Set 1.2: A 81 TYR OH : rot 30:sc= 0.33 USER MOD Set 1.3: A 129 GLN : amide:sc= 1.14 K(o=2.3,f=-0.12) USER MOD Set 2.1: A 63 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.833) USER MOD Set 2.2: A 125 TYR OH : rot 47:sc= 0.713 USER MOD Set 3.1: A 37 THR OG1 : rot -76:sc= 1.24 USER MOD Set 3.2: A 38 HIS :FLIP no HD1:sc=-0.00161 F(o=-0.29,f=1.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -83:sc= 0.354 USER MOD Single : A 39 THR OG1 : rot -55:sc= 1.51 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0213 (180deg=-0.154) USER MOD Single : A 45 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -38:sc= 1.08 USER MOD Single : A 55 GLN : amide:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3.3!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -54:sc= 0.887 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 29:sc= 0.164 USER MOD Single : A 113 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.8) USER MOD Single : A 117 LYS NZ :NH3+ 133:sc= -1.78! (180deg=-6.07!) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -164:sc= 0.844 (180deg=0.616) USER MOD Single : A 128 MET CE :methyl -175:sc= -1.35 (180deg=-1.42) USER MOD Single : A 130 LYS NZ :NH3+ 162:sc= -0.0692 (180deg=-0.362) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.0224 F(o=-0.91,f=-0.022) USER MOD Single : A 135 GLN : amide:sc= 1 K(o=1,f=-12!) USER MOD Single : A 139 GLN :FLIP amide:sc= -0.0603 F(o=-1,f=-0.06) USER MOD Single : A 141 SER OG : rot -14:sc= 0.46 USER MOD Single : A 144 THR OG1 : rot -26:sc= -0.406 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -3.966 19.006 -4.727 1.00 2.24 N ATOM 137 CA VAL A 9 -4.769 17.778 -4.656 1.00 73.43 C ATOM 138 C VAL A 9 -4.815 17.215 -3.221 1.00 13.14 C ATOM 139 O VAL A 9 -5.786 16.567 -2.825 1.00 43.03 O ATOM 140 CB VAL A 9 -4.237 16.695 -5.635 1.00 14.52 C ATOM 141 CG1 VAL A 9 -2.820 16.260 -5.266 1.00 71.42 C ATOM 142 CG2 VAL A 9 -5.185 15.497 -5.692 1.00 5.11 C ATOM 0 HA VAL A 9 -5.783 18.045 -4.954 1.00 73.43 H new ATOM 0 HB VAL A 9 -4.195 17.138 -6.630 1.00 14.52 H new ATOM 0 HG11 VAL A 9 -2.477 15.502 -5.970 1.00 71.42 H new ATOM 0 HG12 VAL A 9 -2.153 17.121 -5.307 1.00 71.42 H new ATOM 0 HG13 VAL A 9 -2.817 15.846 -4.258 1.00 71.42 H new ATOM 0 HG21 VAL A 9 -4.790 14.753 -6.384 1.00 5.11 H new ATOM 0 HG22 VAL A 9 -5.275 15.057 -4.699 1.00 5.11 H new ATOM 0 HG23 VAL A 9 -6.166 15.826 -6.034 1.00 5.11 H new ATOM 152 N SER A 10 -3.762 17.477 -2.442 1.00 1.13 N ATOM 153 CA SER A 10 -3.699 17.046 -1.034 1.00 62.02 C ATOM 154 C SER A 10 -2.524 17.708 -0.299 1.00 64.24 C ATOM 155 O SER A 10 -1.483 17.973 -0.894 1.00 63.40 O ATOM 156 CB SER A 10 -3.564 15.516 -0.937 1.00 43.40 C ATOM 157 OG SER A 10 -3.499 15.088 0.418 1.00 34.44 O ATOM 0 H SER A 10 -2.937 17.986 -2.759 1.00 1.13 H new ATOM 0 HA SER A 10 -4.629 17.357 -0.559 1.00 62.02 H new ATOM 0 HB2 SER A 10 -4.413 15.042 -1.430 1.00 43.40 H new ATOM 0 HB3 SER A 10 -2.667 15.194 -1.466 1.00 43.40 H new ATOM 0 HG SER A 10 -3.415 14.112 0.449 1.00 34.44 H new ATOM 163 N GLU A 11 -2.696 17.984 0.994 1.00 5.24 N ATOM 164 CA GLU A 11 -1.614 18.540 1.823 1.00 54.02 C ATOM 165 C GLU A 11 -1.622 17.959 3.240 1.00 23.34 C ATOM 166 O GLU A 11 -2.501 17.182 3.616 1.00 60.12 O ATOM 167 CB GLU A 11 -1.698 20.073 1.928 1.00 53.02 C ATOM 168 CG GLU A 11 -1.343 20.835 0.656 1.00 64.43 C ATOM 169 CD GLU A 11 -1.160 22.325 0.916 1.00 25.22 C ATOM 170 OE1 GLU A 11 -2.027 22.922 1.590 1.00 33.14 O ATOM 171 OE2 GLU A 11 -0.154 22.905 0.455 1.00 13.11 O ATOM 0 H GLU A 11 -3.572 17.833 1.494 1.00 5.24 H new ATOM 0 HA GLU A 11 -0.687 18.261 1.321 1.00 54.02 H new ATOM 0 HB2 GLU A 11 -2.711 20.345 2.224 1.00 53.02 H new ATOM 0 HB3 GLU A 11 -1.033 20.403 2.727 1.00 53.02 H new ATOM 0 HG2 GLU A 11 -0.426 20.426 0.232 1.00 64.43 H new ATOM 0 HG3 GLU A 11 -2.129 20.690 -0.085 1.00 64.43 H new ATOM 178 N LEU A 12 -0.618 18.359 4.012 1.00 24.04 N ATOM 179 CA LEU A 12 -0.492 18.005 5.426 1.00 12.15 C ATOM 180 C LEU A 12 0.386 19.048 6.147 1.00 53.12 C ATOM 181 O LEU A 12 1.309 19.601 5.549 1.00 53.21 O ATOM 182 CB LEU A 12 0.075 16.573 5.592 1.00 45.24 C ATOM 183 CG LEU A 12 0.943 16.040 4.430 1.00 21.13 C ATOM 184 CD1 LEU A 12 2.199 16.882 4.229 1.00 54.20 C ATOM 185 CD2 LEU A 12 1.306 14.573 4.661 1.00 74.01 C ATOM 0 H LEU A 12 0.143 18.946 3.671 1.00 24.04 H new ATOM 0 HA LEU A 12 -1.482 18.012 5.883 1.00 12.15 H new ATOM 0 HB2 LEU A 12 0.671 16.545 6.504 1.00 45.24 H new ATOM 0 HB3 LEU A 12 -0.761 15.889 5.736 1.00 45.24 H new ATOM 0 HG LEU A 12 0.352 16.114 3.517 1.00 21.13 H new ATOM 0 HD11 LEU A 12 2.782 16.474 3.403 1.00 54.20 H new ATOM 0 HD12 LEU A 12 1.916 17.909 4.001 1.00 54.20 H new ATOM 0 HD13 LEU A 12 2.798 16.865 5.139 1.00 54.20 H new ATOM 0 HD21 LEU A 12 1.917 14.215 3.833 1.00 74.01 H new ATOM 0 HD22 LEU A 12 1.865 14.479 5.592 1.00 74.01 H new ATOM 0 HD23 LEU A 12 0.395 13.978 4.723 1.00 74.01 H new ATOM 197 N PRO A 13 0.106 19.345 7.434 1.00 63.12 N ATOM 198 CA PRO A 13 0.811 20.415 8.181 1.00 65.11 C ATOM 199 C PRO A 13 2.318 20.150 8.368 1.00 60.10 C ATOM 200 O PRO A 13 3.093 21.068 8.659 1.00 71.20 O ATOM 201 CB PRO A 13 0.088 20.433 9.536 1.00 22.34 C ATOM 202 CG PRO A 13 -0.517 19.075 9.664 1.00 11.31 C ATOM 203 CD PRO A 13 -0.909 18.672 8.268 1.00 21.44 C ATOM 0 HA PRO A 13 0.777 21.363 7.644 1.00 65.11 H new ATOM 0 HB2 PRO A 13 0.782 20.635 10.352 1.00 22.34 H new ATOM 0 HB3 PRO A 13 -0.675 21.211 9.567 1.00 22.34 H new ATOM 0 HG2 PRO A 13 0.194 18.368 10.091 1.00 11.31 H new ATOM 0 HG3 PRO A 13 -1.384 19.093 10.325 1.00 11.31 H new ATOM 0 HD2 PRO A 13 -0.886 17.590 8.138 1.00 21.44 H new ATOM 0 HD3 PRO A 13 -1.918 19.001 8.021 1.00 21.44 H new ATOM 211 N PHE A 14 2.718 18.895 8.207 1.00 1.42 N ATOM 212 CA PHE A 14 4.125 18.498 8.314 1.00 0.34 C ATOM 213 C PHE A 14 4.700 18.127 6.937 1.00 45.13 C ATOM 214 O PHE A 14 4.518 17.013 6.453 1.00 71.24 O ATOM 215 CB PHE A 14 4.273 17.329 9.307 1.00 64.10 C ATOM 216 CG PHE A 14 3.213 16.256 9.174 1.00 63.32 C ATOM 217 CD1 PHE A 14 2.000 16.374 9.842 1.00 24.11 C ATOM 218 CD2 PHE A 14 3.426 15.132 8.387 1.00 33.54 C ATOM 219 CE1 PHE A 14 1.030 15.397 9.727 1.00 60.21 C ATOM 220 CE2 PHE A 14 2.460 14.154 8.268 1.00 11.45 C ATOM 221 CZ PHE A 14 1.260 14.286 8.939 1.00 51.33 C ATOM 0 H PHE A 14 2.084 18.124 7.999 1.00 1.42 H new ATOM 0 HA PHE A 14 4.695 19.347 8.691 1.00 0.34 H new ATOM 0 HB2 PHE A 14 5.253 16.873 9.169 1.00 64.10 H new ATOM 0 HB3 PHE A 14 4.246 17.725 10.322 1.00 64.10 H new ATOM 0 HD1 PHE A 14 1.813 17.241 10.459 1.00 24.11 H new ATOM 0 HD2 PHE A 14 4.362 15.022 7.860 1.00 33.54 H new ATOM 0 HE1 PHE A 14 0.093 15.502 10.253 1.00 60.21 H new ATOM 0 HE2 PHE A 14 2.642 13.286 7.651 1.00 11.45 H new ATOM 0 HZ PHE A 14 0.503 13.522 8.848 1.00 51.33 H new ATOM 231 N GLU A 15 5.389 19.077 6.305 1.00 10.32 N ATOM 232 CA GLU A 15 5.952 18.857 4.968 1.00 22.23 C ATOM 233 C GLU A 15 7.262 18.054 5.029 1.00 40.34 C ATOM 234 O GLU A 15 7.504 17.181 4.200 1.00 21.45 O ATOM 235 CB GLU A 15 6.175 20.195 4.241 1.00 70.04 C ATOM 236 CG GLU A 15 7.099 21.167 4.968 1.00 14.43 C ATOM 237 CD GLU A 15 7.356 22.437 4.171 1.00 33.34 C ATOM 238 OE1 GLU A 15 8.229 22.411 3.281 1.00 32.01 O ATOM 239 OE2 GLU A 15 6.688 23.461 4.430 1.00 71.54 O ATOM 0 H GLU A 15 5.571 20.003 6.693 1.00 10.32 H new ATOM 0 HA GLU A 15 5.228 18.270 4.403 1.00 22.23 H new ATOM 0 HB2 GLU A 15 6.588 19.992 3.253 1.00 70.04 H new ATOM 0 HB3 GLU A 15 5.209 20.677 4.090 1.00 70.04 H new ATOM 0 HG2 GLU A 15 6.660 21.429 5.930 1.00 14.43 H new ATOM 0 HG3 GLU A 15 8.049 20.674 5.175 1.00 14.43 H new ATOM 246 N ARG A 16 8.111 18.350 6.007 1.00 55.20 N ATOM 247 CA ARG A 16 9.360 17.601 6.187 1.00 3.32 C ATOM 248 C ARG A 16 9.105 16.269 6.915 1.00 55.33 C ATOM 249 O ARG A 16 8.972 16.230 8.141 1.00 52.55 O ATOM 250 CB ARG A 16 10.393 18.454 6.947 1.00 61.33 C ATOM 251 CG ARG A 16 11.496 19.027 6.057 1.00 51.30 C ATOM 252 CD ARG A 16 10.957 19.943 4.958 1.00 73.21 C ATOM 253 NE ARG A 16 12.021 20.364 4.049 1.00 55.20 N ATOM 254 CZ ARG A 16 11.923 21.329 3.175 1.00 31.04 C ATOM 255 NH1 ARG A 16 10.834 22.016 3.050 1.00 21.34 N ATOM 256 NH2 ARG A 16 12.929 21.595 2.412 1.00 23.15 N ATOM 0 H ARG A 16 7.963 19.097 6.686 1.00 55.20 H new ATOM 0 HA ARG A 16 9.764 17.369 5.202 1.00 3.32 H new ATOM 0 HB2 ARG A 16 9.877 19.275 7.444 1.00 61.33 H new ATOM 0 HB3 ARG A 16 10.849 17.845 7.728 1.00 61.33 H new ATOM 0 HG2 ARG A 16 12.201 19.584 6.674 1.00 51.30 H new ATOM 0 HG3 ARG A 16 12.050 18.207 5.600 1.00 51.30 H new ATOM 0 HD2 ARG A 16 10.181 19.423 4.397 1.00 73.21 H new ATOM 0 HD3 ARG A 16 10.492 20.820 5.408 1.00 73.21 H new ATOM 0 HE ARG A 16 12.909 19.865 4.101 1.00 55.20 H new ATOM 0 HH11 ARG A 16 10.029 21.808 3.641 1.00 21.34 H new ATOM 0 HH12 ARG A 16 10.780 22.766 2.360 1.00 21.34 H new ATOM 0 HH21 ARG A 16 13.789 21.054 2.495 1.00 23.15 H new ATOM 0 HH22 ARG A 16 12.864 22.347 1.726 1.00 23.15 H new ATOM 270 N VAL A 17 9.029 15.183 6.145 1.00 75.11 N ATOM 271 CA VAL A 17 8.742 13.849 6.696 1.00 60.03 C ATOM 272 C VAL A 17 9.876 12.849 6.416 1.00 13.44 C ATOM 273 O VAL A 17 10.576 12.946 5.404 1.00 3.34 O ATOM 274 CB VAL A 17 7.415 13.278 6.128 1.00 33.15 C ATOM 275 CG1 VAL A 17 6.232 14.156 6.529 1.00 14.41 C ATOM 276 CG2 VAL A 17 7.484 13.130 4.606 1.00 12.04 C ATOM 0 H VAL A 17 9.162 15.197 5.134 1.00 75.11 H new ATOM 0 HA VAL A 17 8.651 13.980 7.774 1.00 60.03 H new ATOM 0 HB VAL A 17 7.268 12.287 6.557 1.00 33.15 H new ATOM 0 HG11 VAL A 17 5.313 13.737 6.120 1.00 14.41 H new ATOM 0 HG12 VAL A 17 6.161 14.196 7.616 1.00 14.41 H new ATOM 0 HG13 VAL A 17 6.377 15.163 6.138 1.00 14.41 H new ATOM 0 HG21 VAL A 17 6.541 12.728 4.236 1.00 12.04 H new ATOM 0 HG22 VAL A 17 7.665 14.105 4.153 1.00 12.04 H new ATOM 0 HG23 VAL A 17 8.295 12.452 4.343 1.00 12.04 H new ATOM 286 N TYR A 18 10.044 11.886 7.320 1.00 12.33 N ATOM 287 CA TYR A 18 11.063 10.839 7.174 1.00 32.24 C ATOM 288 C TYR A 18 10.412 9.455 6.996 1.00 4.15 C ATOM 289 O TYR A 18 9.362 9.166 7.573 1.00 1.31 O ATOM 290 CB TYR A 18 11.990 10.840 8.399 1.00 10.13 C ATOM 291 CG TYR A 18 13.066 9.762 8.377 1.00 25.23 C ATOM 292 CD1 TYR A 18 14.178 9.874 7.548 1.00 45.41 C ATOM 293 CD2 TYR A 18 12.970 8.634 9.191 1.00 31.13 C ATOM 294 CE1 TYR A 18 15.158 8.898 7.528 1.00 13.44 C ATOM 295 CE2 TYR A 18 13.948 7.655 9.175 1.00 32.25 C ATOM 296 CZ TYR A 18 15.039 7.791 8.342 1.00 62.01 C ATOM 297 OH TYR A 18 16.016 6.817 8.327 1.00 42.41 O ATOM 0 H TYR A 18 9.485 11.806 8.169 1.00 12.33 H new ATOM 0 HA TYR A 18 11.650 11.051 6.280 1.00 32.24 H new ATOM 0 HB2 TYR A 18 12.472 11.815 8.474 1.00 10.13 H new ATOM 0 HB3 TYR A 18 11.385 10.714 9.297 1.00 10.13 H new ATOM 0 HD1 TYR A 18 14.278 10.739 6.909 1.00 45.41 H new ATOM 0 HD2 TYR A 18 12.118 8.522 9.845 1.00 31.13 H new ATOM 0 HE1 TYR A 18 16.013 9.002 6.877 1.00 13.44 H new ATOM 0 HE2 TYR A 18 13.857 6.788 9.812 1.00 32.25 H new ATOM 0 HH TYR A 18 15.779 6.107 8.959 1.00 42.41 H new ATOM 307 N ILE A 19 11.048 8.603 6.196 1.00 61.30 N ATOM 308 CA ILE A 19 10.544 7.249 5.935 1.00 12.31 C ATOM 309 C ILE A 19 11.528 6.177 6.436 1.00 22.22 C ATOM 310 O ILE A 19 12.743 6.368 6.398 1.00 51.03 O ATOM 311 CB ILE A 19 10.280 7.040 4.417 1.00 54.31 C ATOM 312 CG1 ILE A 19 9.796 5.604 4.137 1.00 14.45 C ATOM 313 CG2 ILE A 19 11.532 7.364 3.598 1.00 1.31 C ATOM 314 CD1 ILE A 19 9.564 5.301 2.670 1.00 3.22 C ATOM 0 H ILE A 19 11.919 8.824 5.713 1.00 61.30 H new ATOM 0 HA ILE A 19 9.606 7.144 6.481 1.00 12.31 H new ATOM 0 HB ILE A 19 9.490 7.727 4.113 1.00 54.31 H new ATOM 0 HG12 ILE A 19 10.531 4.902 4.530 1.00 14.45 H new ATOM 0 HG13 ILE A 19 8.868 5.432 4.683 1.00 14.45 H new ATOM 0 HG21 ILE A 19 11.324 7.211 2.539 1.00 1.31 H new ATOM 0 HG22 ILE A 19 11.817 8.403 3.765 1.00 1.31 H new ATOM 0 HG23 ILE A 19 12.348 6.710 3.906 1.00 1.31 H new ATOM 0 HD11 ILE A 19 9.225 4.271 2.560 1.00 3.22 H new ATOM 0 HD12 ILE A 19 8.805 5.976 2.274 1.00 3.22 H new ATOM 0 HD13 ILE A 19 10.494 5.438 2.119 1.00 3.22 H new ATOM 326 N THR A 20 10.996 5.056 6.924 1.00 11.34 N ATOM 327 CA THR A 20 11.832 3.925 7.353 1.00 23.53 C ATOM 328 C THR A 20 11.195 2.579 6.987 1.00 3.21 C ATOM 329 O THR A 20 10.075 2.267 7.402 1.00 24.21 O ATOM 330 CB THR A 20 12.127 3.956 8.875 1.00 34.53 C ATOM 331 OG1 THR A 20 12.774 2.736 9.282 1.00 4.14 O ATOM 332 CG2 THR A 20 10.855 4.164 9.694 1.00 65.02 C ATOM 0 H THR A 20 9.993 4.903 7.033 1.00 11.34 H new ATOM 0 HA THR A 20 12.775 4.030 6.817 1.00 23.53 H new ATOM 0 HB THR A 20 12.790 4.801 9.063 1.00 34.53 H new ATOM 0 HG1 THR A 20 12.957 2.768 10.244 1.00 4.14 H new ATOM 0 HG21 THR A 20 11.104 4.180 10.755 1.00 65.02 H new ATOM 0 HG22 THR A 20 10.394 5.111 9.415 1.00 65.02 H new ATOM 0 HG23 THR A 20 10.158 3.349 9.497 1.00 65.02 H new ATOM 340 N ALA A 21 11.916 1.785 6.197 1.00 61.24 N ATOM 341 CA ALA A 21 11.451 0.460 5.772 1.00 0.40 C ATOM 342 C ALA A 21 12.517 -0.611 6.054 1.00 33.23 C ATOM 343 O ALA A 21 13.713 -0.346 5.918 1.00 11.21 O ATOM 344 CB ALA A 21 11.099 0.485 4.285 1.00 52.52 C ATOM 0 H ALA A 21 12.835 2.038 5.833 1.00 61.24 H new ATOM 0 HA ALA A 21 10.559 0.205 6.344 1.00 0.40 H new ATOM 0 HB1 ALA A 21 10.755 -0.502 3.976 1.00 52.52 H new ATOM 0 HB2 ALA A 21 10.310 1.216 4.110 1.00 52.52 H new ATOM 0 HB3 ALA A 21 11.982 0.759 3.707 1.00 52.52 H new ATOM 350 N PRO A 22 12.104 -1.839 6.438 1.00 21.41 N ATOM 351 CA PRO A 22 13.046 -2.920 6.814 1.00 72.11 C ATOM 352 C PRO A 22 14.026 -3.309 5.689 1.00 61.03 C ATOM 353 O PRO A 22 15.056 -3.941 5.941 1.00 40.51 O ATOM 354 CB PRO A 22 12.119 -4.101 7.158 1.00 33.41 C ATOM 355 CG PRO A 22 10.815 -3.777 6.507 1.00 51.50 C ATOM 356 CD PRO A 22 10.700 -2.280 6.544 1.00 63.40 C ATOM 0 HA PRO A 22 13.694 -2.608 7.633 1.00 72.11 H new ATOM 0 HB2 PRO A 22 12.523 -5.041 6.783 1.00 33.41 H new ATOM 0 HB3 PRO A 22 12.004 -4.211 8.236 1.00 33.41 H new ATOM 0 HG2 PRO A 22 10.787 -4.146 5.482 1.00 51.50 H new ATOM 0 HG3 PRO A 22 9.986 -4.246 7.037 1.00 51.50 H new ATOM 0 HD2 PRO A 22 10.094 -1.901 5.721 1.00 63.40 H new ATOM 0 HD3 PRO A 22 10.236 -1.933 7.467 1.00 63.40 H new ATOM 364 N ALA A 23 13.703 -2.934 4.450 1.00 5.14 N ATOM 365 CA ALA A 23 14.559 -3.249 3.296 1.00 75.13 C ATOM 366 C ALA A 23 14.240 -2.370 2.074 1.00 12.35 C ATOM 367 O ALA A 23 14.593 -2.716 0.946 1.00 31.31 O ATOM 368 CB ALA A 23 14.412 -4.721 2.926 1.00 1.13 C ATOM 0 H ALA A 23 12.858 -2.413 4.216 1.00 5.14 H new ATOM 0 HA ALA A 23 15.588 -3.040 3.589 1.00 75.13 H new ATOM 0 HB1 ALA A 23 15.049 -4.947 2.071 1.00 1.13 H new ATOM 0 HB2 ALA A 23 14.709 -5.340 3.773 1.00 1.13 H new ATOM 0 HB3 ALA A 23 13.373 -4.930 2.670 1.00 1.13 H new ATOM 374 N GLY A 24 13.598 -1.223 2.305 1.00 44.13 N ATOM 375 CA GLY A 24 13.199 -0.346 1.200 1.00 33.24 C ATOM 376 C GLY A 24 12.360 -1.058 0.134 1.00 21.13 C ATOM 377 O GLY A 24 12.717 -1.071 -1.044 1.00 2.00 O ATOM 0 H GLY A 24 13.346 -0.882 3.233 1.00 44.13 H new ATOM 0 HA2 GLY A 24 12.630 0.494 1.599 1.00 33.24 H new ATOM 0 HA3 GLY A 24 14.093 0.068 0.733 1.00 33.24 H new ATOM 381 N LEU A 25 11.238 -1.646 0.554 1.00 75.55 N ATOM 382 CA LEU A 25 10.379 -2.424 -0.352 1.00 5.40 C ATOM 383 C LEU A 25 9.576 -1.516 -1.300 1.00 51.11 C ATOM 384 O LEU A 25 9.607 -0.288 -1.184 1.00 21.01 O ATOM 385 CB LEU A 25 9.401 -3.311 0.446 1.00 11.32 C ATOM 386 CG LEU A 25 10.034 -4.400 1.341 1.00 14.32 C ATOM 387 CD1 LEU A 25 10.745 -3.794 2.550 1.00 53.13 C ATOM 388 CD2 LEU A 25 8.975 -5.407 1.792 1.00 41.50 C ATOM 0 H LEU A 25 10.900 -1.600 1.515 1.00 75.55 H new ATOM 0 HA LEU A 25 11.040 -3.052 -0.949 1.00 5.40 H new ATOM 0 HB2 LEU A 25 8.790 -2.664 1.076 1.00 11.32 H new ATOM 0 HB3 LEU A 25 8.728 -3.798 -0.260 1.00 11.32 H new ATOM 0 HG LEU A 25 10.783 -4.921 0.745 1.00 14.32 H new ATOM 0 HD11 LEU A 25 11.177 -4.591 3.155 1.00 53.13 H new ATOM 0 HD12 LEU A 25 11.537 -3.127 2.210 1.00 53.13 H new ATOM 0 HD13 LEU A 25 10.029 -3.231 3.149 1.00 53.13 H new ATOM 0 HD21 LEU A 25 9.439 -6.166 2.421 1.00 41.50 H new ATOM 0 HD22 LEU A 25 8.200 -4.891 2.358 1.00 41.50 H new ATOM 0 HD23 LEU A 25 8.530 -5.883 0.918 1.00 41.50 H new ATOM 400 N THR A 26 8.836 -2.140 -2.219 1.00 10.40 N ATOM 401 CA THR A 26 7.967 -1.414 -3.162 1.00 31.54 C ATOM 402 C THR A 26 7.049 -0.424 -2.434 1.00 22.11 C ATOM 403 O THR A 26 6.918 0.732 -2.835 1.00 4.32 O ATOM 404 CB THR A 26 7.077 -2.388 -3.967 1.00 51.32 C ATOM 405 OG1 THR A 26 6.258 -3.150 -3.061 1.00 51.11 O ATOM 406 CG2 THR A 26 7.922 -3.335 -4.812 1.00 13.25 C ATOM 0 H THR A 26 8.818 -3.153 -2.334 1.00 10.40 H new ATOM 0 HA THR A 26 8.631 -0.872 -3.836 1.00 31.54 H new ATOM 0 HB THR A 26 6.446 -1.803 -4.637 1.00 51.32 H new ATOM 0 HG1 THR A 26 5.330 -3.146 -3.377 1.00 51.11 H new ATOM 0 HG21 THR A 26 7.269 -4.008 -5.367 1.00 13.25 H new ATOM 0 HG22 THR A 26 8.526 -2.757 -5.511 1.00 13.25 H new ATOM 0 HG23 THR A 26 8.576 -3.917 -4.162 1.00 13.25 H new ATOM 414 N ILE A 27 6.423 -0.899 -1.359 1.00 21.54 N ATOM 415 CA ILE A 27 5.546 -0.072 -0.518 1.00 21.23 C ATOM 416 C ILE A 27 6.235 1.242 -0.087 1.00 60.31 C ATOM 417 O ILE A 27 5.584 2.277 0.050 1.00 31.34 O ATOM 418 CB ILE A 27 5.086 -0.867 0.739 1.00 71.33 C ATOM 419 CG1 ILE A 27 4.034 -0.078 1.546 1.00 63.15 C ATOM 420 CG2 ILE A 27 6.282 -1.243 1.620 1.00 24.41 C ATOM 421 CD1 ILE A 27 2.707 0.083 0.828 1.00 11.31 C ATOM 0 H ILE A 27 6.506 -1.865 -1.043 1.00 21.54 H new ATOM 0 HA ILE A 27 4.674 0.188 -1.118 1.00 21.23 H new ATOM 0 HB ILE A 27 4.618 -1.789 0.394 1.00 71.33 H new ATOM 0 HG12 ILE A 27 3.864 -0.584 2.496 1.00 63.15 H new ATOM 0 HG13 ILE A 27 4.433 0.909 1.778 1.00 63.15 H new ATOM 0 HG21 ILE A 27 5.932 -1.797 2.491 1.00 24.41 H new ATOM 0 HG22 ILE A 27 6.974 -1.862 1.049 1.00 24.41 H new ATOM 0 HG23 ILE A 27 6.792 -0.337 1.947 1.00 24.41 H new ATOM 0 HD11 ILE A 27 2.019 0.648 1.457 1.00 11.31 H new ATOM 0 HD12 ILE A 27 2.863 0.617 -0.109 1.00 11.31 H new ATOM 0 HD13 ILE A 27 2.284 -0.900 0.620 1.00 11.31 H new ATOM 433 N GLY A 28 7.556 1.190 0.107 1.00 71.04 N ATOM 434 CA GLY A 28 8.318 2.384 0.473 1.00 1.22 C ATOM 435 C GLY A 28 8.645 3.267 -0.732 1.00 61.52 C ATOM 436 O GLY A 28 8.552 4.493 -0.658 1.00 43.43 O ATOM 0 H GLY A 28 8.115 0.341 0.017 1.00 71.04 H new ATOM 0 HA2 GLY A 28 7.750 2.964 1.200 1.00 1.22 H new ATOM 0 HA3 GLY A 28 9.245 2.083 0.960 1.00 1.22 H new ATOM 440 N SER A 29 9.027 2.634 -1.846 1.00 34.32 N ATOM 441 CA SER A 29 9.333 3.358 -3.092 1.00 32.40 C ATOM 442 C SER A 29 8.130 4.192 -3.553 1.00 22.31 C ATOM 443 O SER A 29 8.241 5.402 -3.769 1.00 22.53 O ATOM 444 CB SER A 29 9.740 2.376 -4.204 1.00 25.33 C ATOM 445 OG SER A 29 10.029 3.054 -5.423 1.00 51.53 O ATOM 0 H SER A 29 9.133 1.622 -1.914 1.00 34.32 H new ATOM 0 HA SER A 29 10.167 4.030 -2.889 1.00 32.40 H new ATOM 0 HB2 SER A 29 10.615 1.808 -3.887 1.00 25.33 H new ATOM 0 HB3 SER A 29 8.936 1.658 -4.368 1.00 25.33 H new ATOM 0 HG SER A 29 10.285 2.401 -6.108 1.00 51.53 H new ATOM 451 N ASP A 30 6.975 3.536 -3.687 1.00 31.40 N ATOM 452 CA ASP A 30 5.732 4.219 -4.056 1.00 31.22 C ATOM 453 C ASP A 30 5.321 5.257 -3.002 1.00 2.45 C ATOM 454 O ASP A 30 4.762 6.298 -3.340 1.00 62.10 O ATOM 455 CB ASP A 30 4.604 3.201 -4.269 1.00 1.40 C ATOM 456 CG ASP A 30 4.735 2.477 -5.596 1.00 5.32 C ATOM 457 OD1 ASP A 30 5.568 1.553 -5.701 1.00 12.53 O ATOM 458 OD2 ASP A 30 4.025 2.856 -6.554 1.00 73.41 O ATOM 0 H ASP A 30 6.874 2.531 -3.545 1.00 31.40 H new ATOM 0 HA ASP A 30 5.913 4.749 -4.991 1.00 31.22 H new ATOM 0 HB2 ASP A 30 4.614 2.474 -3.457 1.00 1.40 H new ATOM 0 HB3 ASP A 30 3.642 3.712 -4.228 1.00 1.40 H new ATOM 463 N LEU A 31 5.610 4.977 -1.730 1.00 24.34 N ATOM 464 CA LEU A 31 5.297 5.915 -0.641 1.00 30.54 C ATOM 465 C LEU A 31 5.969 7.276 -0.872 1.00 52.41 C ATOM 466 O LEU A 31 5.306 8.314 -0.883 1.00 23.24 O ATOM 467 CB LEU A 31 5.724 5.328 0.712 1.00 65.51 C ATOM 468 CG LEU A 31 5.359 6.172 1.944 1.00 51.10 C ATOM 469 CD1 LEU A 31 3.847 6.365 2.047 1.00 11.12 C ATOM 470 CD2 LEU A 31 5.903 5.522 3.211 1.00 52.14 C ATOM 0 H LEU A 31 6.058 4.113 -1.425 1.00 24.34 H new ATOM 0 HA LEU A 31 4.218 6.070 -0.630 1.00 30.54 H new ATOM 0 HB2 LEU A 31 5.270 4.343 0.821 1.00 65.51 H new ATOM 0 HB3 LEU A 31 6.804 5.182 0.700 1.00 65.51 H new ATOM 0 HG LEU A 31 5.817 7.155 1.831 1.00 51.10 H new ATOM 0 HD11 LEU A 31 3.616 6.965 2.927 1.00 11.12 H new ATOM 0 HD12 LEU A 31 3.484 6.874 1.155 1.00 11.12 H new ATOM 0 HD13 LEU A 31 3.361 5.393 2.133 1.00 11.12 H new ATOM 0 HD21 LEU A 31 5.637 6.131 4.075 1.00 52.14 H new ATOM 0 HD22 LEU A 31 5.474 4.526 3.322 1.00 52.14 H new ATOM 0 HD23 LEU A 31 6.988 5.444 3.143 1.00 52.14 H new ATOM 482 N GLU A 32 7.283 7.259 -1.075 1.00 33.10 N ATOM 483 CA GLU A 32 8.049 8.481 -1.345 1.00 53.44 C ATOM 484 C GLU A 32 7.501 9.236 -2.568 1.00 74.40 C ATOM 485 O GLU A 32 7.368 10.463 -2.554 1.00 13.33 O ATOM 486 CB GLU A 32 9.524 8.131 -1.577 1.00 1.43 C ATOM 487 CG GLU A 32 10.194 7.448 -0.390 1.00 2.13 C ATOM 488 CD GLU A 32 11.641 7.076 -0.675 1.00 24.50 C ATOM 489 OE1 GLU A 32 12.468 7.996 -0.852 1.00 12.10 O ATOM 490 OE2 GLU A 32 11.959 5.869 -0.742 1.00 30.42 O ATOM 0 H GLU A 32 7.846 6.409 -1.058 1.00 33.10 H new ATOM 0 HA GLU A 32 7.954 9.131 -0.475 1.00 53.44 H new ATOM 0 HB2 GLU A 32 9.599 7.480 -2.448 1.00 1.43 H new ATOM 0 HB3 GLU A 32 10.070 9.044 -1.814 1.00 1.43 H new ATOM 0 HG2 GLU A 32 10.156 8.110 0.475 1.00 2.13 H new ATOM 0 HG3 GLU A 32 9.635 6.549 -0.129 1.00 2.13 H new ATOM 497 N ARG A 33 7.174 8.487 -3.618 1.00 34.01 N ATOM 498 CA ARG A 33 6.696 9.071 -4.875 1.00 62.05 C ATOM 499 C ARG A 33 5.294 9.689 -4.728 1.00 51.54 C ATOM 500 O ARG A 33 5.073 10.835 -5.117 1.00 23.22 O ATOM 501 CB ARG A 33 6.704 8.003 -5.976 1.00 32.44 C ATOM 502 CG ARG A 33 8.093 7.423 -6.229 1.00 70.33 C ATOM 503 CD ARG A 33 8.086 6.319 -7.281 1.00 44.41 C ATOM 504 NE ARG A 33 9.426 5.769 -7.491 1.00 64.10 N ATOM 505 CZ ARG A 33 9.727 4.896 -8.413 1.00 32.43 C ATOM 506 NH1 ARG A 33 8.810 4.419 -9.194 1.00 10.13 N ATOM 507 NH2 ARG A 33 10.948 4.486 -8.538 1.00 23.51 N ATOM 0 H ARG A 33 7.231 7.469 -3.626 1.00 34.01 H new ATOM 0 HA ARG A 33 7.373 9.880 -5.149 1.00 62.05 H new ATOM 0 HB2 ARG A 33 6.024 7.197 -5.699 1.00 32.44 H new ATOM 0 HB3 ARG A 33 6.323 8.438 -6.900 1.00 32.44 H new ATOM 0 HG2 ARG A 33 8.763 8.221 -6.550 1.00 70.33 H new ATOM 0 HG3 ARG A 33 8.493 7.027 -5.295 1.00 70.33 H new ATOM 0 HD2 ARG A 33 7.410 5.523 -6.970 1.00 44.41 H new ATOM 0 HD3 ARG A 33 7.702 6.714 -8.222 1.00 44.41 H new ATOM 0 HE ARG A 33 10.174 6.089 -6.876 1.00 64.10 H new ATOM 0 HH11 ARG A 33 7.843 4.725 -9.091 1.00 10.13 H new ATOM 0 HH12 ARG A 33 9.055 3.737 -9.912 1.00 10.13 H new ATOM 0 HH21 ARG A 33 11.673 4.845 -7.917 1.00 23.51 H new ATOM 0 HH22 ARG A 33 11.186 3.804 -9.258 1.00 23.51 H new ATOM 521 N VAL A 34 4.352 8.935 -4.160 1.00 10.34 N ATOM 522 CA VAL A 34 2.991 9.441 -3.929 1.00 30.04 C ATOM 523 C VAL A 34 3.005 10.699 -3.044 1.00 14.13 C ATOM 524 O VAL A 34 2.317 11.677 -3.335 1.00 43.41 O ATOM 525 CB VAL A 34 2.079 8.362 -3.285 1.00 54.34 C ATOM 526 CG1 VAL A 34 0.728 8.954 -2.872 1.00 3.52 C ATOM 527 CG2 VAL A 34 1.872 7.187 -4.241 1.00 21.23 C ATOM 0 H VAL A 34 4.502 7.975 -3.851 1.00 10.34 H new ATOM 0 HA VAL A 34 2.584 9.701 -4.906 1.00 30.04 H new ATOM 0 HB VAL A 34 2.580 7.998 -2.388 1.00 54.34 H new ATOM 0 HG11 VAL A 34 0.111 8.175 -2.424 1.00 3.52 H new ATOM 0 HG12 VAL A 34 0.887 9.752 -2.147 1.00 3.52 H new ATOM 0 HG13 VAL A 34 0.223 9.356 -3.750 1.00 3.52 H new ATOM 0 HG21 VAL A 34 1.230 6.443 -3.769 1.00 21.23 H new ATOM 0 HG22 VAL A 34 1.402 7.543 -5.158 1.00 21.23 H new ATOM 0 HG23 VAL A 34 2.836 6.737 -4.478 1.00 21.23 H new ATOM 537 N ILE A 35 3.794 10.674 -1.973 1.00 44.31 N ATOM 538 CA ILE A 35 3.925 11.832 -1.081 1.00 64.42 C ATOM 539 C ILE A 35 4.500 13.058 -1.819 1.00 34.30 C ATOM 540 O ILE A 35 3.881 14.121 -1.853 1.00 33.22 O ATOM 541 CB ILE A 35 4.821 11.497 0.142 1.00 32.05 C ATOM 542 CG1 ILE A 35 4.151 10.429 1.027 1.00 35.13 C ATOM 543 CG2 ILE A 35 5.131 12.754 0.956 1.00 64.05 C ATOM 544 CD1 ILE A 35 4.978 10.016 2.229 1.00 21.43 C ATOM 0 H ILE A 35 4.354 9.867 -1.698 1.00 44.31 H new ATOM 0 HA ILE A 35 2.922 12.077 -0.733 1.00 64.42 H new ATOM 0 HB ILE A 35 5.764 11.096 -0.230 1.00 32.05 H new ATOM 0 HG12 ILE A 35 3.190 10.810 1.374 1.00 35.13 H new ATOM 0 HG13 ILE A 35 3.944 9.547 0.421 1.00 35.13 H new ATOM 0 HG21 ILE A 35 5.760 12.491 1.806 1.00 64.05 H new ATOM 0 HG22 ILE A 35 5.654 13.475 0.327 1.00 64.05 H new ATOM 0 HG23 ILE A 35 4.200 13.194 1.315 1.00 64.05 H new ATOM 0 HD11 ILE A 35 4.437 9.262 2.801 1.00 21.43 H new ATOM 0 HD12 ILE A 35 5.929 9.603 1.892 1.00 21.43 H new ATOM 0 HD13 ILE A 35 5.163 10.886 2.860 1.00 21.43 H new ATOM 556 N SER A 36 5.672 12.893 -2.429 1.00 62.13 N ATOM 557 CA SER A 36 6.383 14.013 -3.077 1.00 23.25 C ATOM 558 C SER A 36 5.595 14.619 -4.256 1.00 72.40 C ATOM 559 O SER A 36 5.753 15.801 -4.578 1.00 44.44 O ATOM 560 CB SER A 36 7.760 13.548 -3.570 1.00 64.24 C ATOM 561 OG SER A 36 7.643 12.560 -4.583 1.00 51.12 O ATOM 0 H SER A 36 6.156 11.998 -2.493 1.00 62.13 H new ATOM 0 HA SER A 36 6.494 14.792 -2.323 1.00 23.25 H new ATOM 0 HB2 SER A 36 8.317 14.402 -3.956 1.00 64.24 H new ATOM 0 HB3 SER A 36 8.331 13.147 -2.733 1.00 64.24 H new ATOM 0 HG SER A 36 7.516 11.681 -4.169 1.00 51.12 H new ATOM 567 N THR A 37 4.756 13.814 -4.905 1.00 24.00 N ATOM 568 CA THR A 37 3.978 14.277 -6.068 1.00 0.41 C ATOM 569 C THR A 37 2.577 14.778 -5.682 1.00 32.11 C ATOM 570 O THR A 37 2.110 15.789 -6.210 1.00 51.40 O ATOM 571 CB THR A 37 3.820 13.158 -7.126 1.00 22.10 C ATOM 572 OG1 THR A 37 3.149 12.029 -6.550 1.00 52.11 O ATOM 573 CG2 THR A 37 5.177 12.722 -7.675 1.00 51.31 C ATOM 0 H THR A 37 4.593 12.840 -4.651 1.00 24.00 H new ATOM 0 HA THR A 37 4.546 15.109 -6.485 1.00 0.41 H new ATOM 0 HB THR A 37 3.227 13.555 -7.950 1.00 22.10 H new ATOM 0 HG1 THR A 37 3.771 11.538 -5.974 1.00 52.11 H new ATOM 0 HG21 THR A 37 5.034 11.935 -8.416 1.00 51.31 H new ATOM 0 HG22 THR A 37 5.672 13.574 -8.141 1.00 51.31 H new ATOM 0 HG23 THR A 37 5.795 12.345 -6.860 1.00 51.31 H new ATOM 581 N HIS A 38 1.910 14.076 -4.763 1.00 41.43 N ATOM 582 CA HIS A 38 0.506 14.374 -4.433 1.00 24.53 C ATOM 583 C HIS A 38 0.338 15.365 -3.265 1.00 42.40 C ATOM 584 O HIS A 38 -0.780 15.799 -2.989 1.00 74.45 O ATOM 585 CB HIS A 38 -0.254 13.079 -4.106 1.00 35.10 C ATOM 586 CG HIS A 38 -0.443 12.164 -5.281 1.00 65.14 C ATOM 587 ND1 HIS A 38 0.394 11.276 -5.871 1.00 41.55 N flip ATOM 588 CD2 HIS A 38 -1.631 12.075 -5.972 1.00 54.44 C flip ATOM 589 CE1 HIS A 38 -0.301 10.681 -6.893 1.00 1.45 C flip ATOM 590 NE2 HIS A 38 -1.520 11.182 -6.931 1.00 4.11 N flip ATOM 0 H HIS A 38 2.312 13.302 -4.235 1.00 41.43 H new ATOM 0 HA HIS A 38 0.090 14.852 -5.320 1.00 24.53 H new ATOM 0 HB2 HIS A 38 0.284 12.542 -3.325 1.00 35.10 H new ATOM 0 HB3 HIS A 38 -1.232 13.337 -3.700 1.00 35.10 H new ATOM 0 HD2 HIS A 38 -2.519 12.651 -5.759 1.00 54.44 H new ATOM 0 HE1 HIS A 38 0.087 9.925 -7.559 1.00 1.45 H new ATOM 0 HE2 HIS A 38 -2.252 10.921 -7.592 1.00 4.11 H new ATOM 599 N THR A 39 1.416 15.722 -2.564 1.00 54.02 N ATOM 600 CA THR A 39 1.287 16.630 -1.404 1.00 53.41 C ATOM 601 C THR A 39 2.333 17.750 -1.389 1.00 23.05 C ATOM 602 O THR A 39 3.158 17.882 -2.293 1.00 31.31 O ATOM 603 CB THR A 39 1.378 15.889 -0.045 1.00 45.54 C ATOM 604 OG1 THR A 39 2.725 15.464 0.205 1.00 62.31 O ATOM 605 CG2 THR A 39 0.445 14.686 0.006 1.00 74.33 C ATOM 0 H THR A 39 2.366 15.411 -2.765 1.00 54.02 H new ATOM 0 HA THR A 39 0.294 17.063 -1.526 1.00 53.41 H new ATOM 0 HB THR A 39 1.068 16.592 0.728 1.00 45.54 H new ATOM 0 HG1 THR A 39 3.041 14.920 -0.547 1.00 62.31 H new ATOM 0 HG21 THR A 39 0.538 14.194 0.974 1.00 74.33 H new ATOM 0 HG22 THR A 39 -0.584 15.017 -0.135 1.00 74.33 H new ATOM 0 HG23 THR A 39 0.712 13.985 -0.785 1.00 74.33 H new ATOM 613 N ARG A 40 2.271 18.553 -0.329 1.00 44.43 N ATOM 614 CA ARG A 40 3.196 19.668 -0.098 1.00 51.23 C ATOM 615 C ARG A 40 4.525 19.185 0.519 1.00 43.42 C ATOM 616 O ARG A 40 5.468 19.962 0.692 1.00 21.23 O ATOM 617 CB ARG A 40 2.514 20.658 0.863 1.00 3.10 C ATOM 618 CG ARG A 40 3.242 21.983 1.065 1.00 51.11 C ATOM 619 CD ARG A 40 3.103 22.904 -0.142 1.00 2.02 C ATOM 620 NE ARG A 40 3.597 24.243 0.158 1.00 53.42 N ATOM 621 CZ ARG A 40 2.862 25.194 0.668 1.00 0.24 C ATOM 622 NH1 ARG A 40 1.599 25.009 0.901 1.00 52.24 N ATOM 623 NH2 ARG A 40 3.392 26.341 0.932 1.00 64.14 N ATOM 0 H ARG A 40 1.570 18.449 0.404 1.00 44.43 H new ATOM 0 HA ARG A 40 3.430 20.141 -1.052 1.00 51.23 H new ATOM 0 HB2 ARG A 40 1.511 20.867 0.490 1.00 3.10 H new ATOM 0 HB3 ARG A 40 2.399 20.175 1.833 1.00 3.10 H new ATOM 0 HG2 ARG A 40 2.846 22.483 1.949 1.00 51.11 H new ATOM 0 HG3 ARG A 40 4.298 21.791 1.254 1.00 51.11 H new ATOM 0 HD2 ARG A 40 3.656 22.490 -0.985 1.00 2.02 H new ATOM 0 HD3 ARG A 40 2.057 22.958 -0.443 1.00 2.02 H new ATOM 0 HE ARG A 40 4.576 24.449 -0.043 1.00 53.42 H new ATOM 0 HH11 ARG A 40 1.167 24.111 0.685 1.00 52.24 H new ATOM 0 HH12 ARG A 40 1.038 25.762 1.300 1.00 52.24 H new ATOM 0 HH21 ARG A 40 4.381 26.502 0.742 1.00 64.14 H new ATOM 0 HH22 ARG A 40 2.822 27.087 1.330 1.00 64.14 H new ATOM 637 N ALA A 41 4.589 17.896 0.841 1.00 0.35 N ATOM 638 CA ALA A 41 5.702 17.338 1.616 1.00 4.42 C ATOM 639 C ALA A 41 7.011 17.198 0.818 1.00 13.30 C ATOM 640 O ALA A 41 7.059 17.392 -0.399 1.00 74.44 O ATOM 641 CB ALA A 41 5.300 15.989 2.199 1.00 13.00 C ATOM 0 H ALA A 41 3.880 17.212 0.577 1.00 0.35 H new ATOM 0 HA ALA A 41 5.909 18.053 2.413 1.00 4.42 H new ATOM 0 HB1 ALA A 41 6.130 15.579 2.774 1.00 13.00 H new ATOM 0 HB2 ALA A 41 4.436 16.117 2.851 1.00 13.00 H new ATOM 0 HB3 ALA A 41 5.046 15.304 1.390 1.00 13.00 H new ATOM 647 N LYS A 42 8.071 16.851 1.542 1.00 15.13 N ATOM 648 CA LYS A 42 9.405 16.652 0.974 1.00 63.15 C ATOM 649 C LYS A 42 10.136 15.546 1.754 1.00 42.22 C ATOM 650 O LYS A 42 10.525 15.743 2.906 1.00 14.32 O ATOM 651 CB LYS A 42 10.203 17.970 1.035 1.00 55.24 C ATOM 652 CG LYS A 42 11.605 17.887 0.434 1.00 4.41 C ATOM 653 CD LYS A 42 11.573 17.633 -1.072 1.00 54.50 C ATOM 654 CE LYS A 42 10.917 18.778 -1.839 1.00 55.11 C ATOM 655 NZ LYS A 42 11.638 20.068 -1.657 1.00 2.24 N ATOM 0 H LYS A 42 8.030 16.698 2.550 1.00 15.13 H new ATOM 0 HA LYS A 42 9.314 16.349 -0.069 1.00 63.15 H new ATOM 0 HB2 LYS A 42 9.642 18.745 0.512 1.00 55.24 H new ATOM 0 HB3 LYS A 42 10.285 18.283 2.076 1.00 55.24 H new ATOM 0 HG2 LYS A 42 12.139 18.816 0.633 1.00 4.41 H new ATOM 0 HG3 LYS A 42 12.162 17.088 0.924 1.00 4.41 H new ATOM 0 HD2 LYS A 42 12.591 17.491 -1.436 1.00 54.50 H new ATOM 0 HD3 LYS A 42 11.031 16.708 -1.271 1.00 54.50 H new ATOM 0 HE2 LYS A 42 10.884 18.530 -2.900 1.00 55.11 H new ATOM 0 HE3 LYS A 42 9.885 18.891 -1.506 1.00 55.11 H new ATOM 0 HZ1 LYS A 42 11.274 20.768 -2.335 1.00 2.24 H new ATOM 0 HZ2 LYS A 42 11.490 20.415 -0.688 1.00 2.24 H new ATOM 0 HZ3 LYS A 42 12.655 19.924 -1.821 1.00 2.24 H new ATOM 669 N VAL A 43 10.293 14.377 1.130 1.00 62.34 N ATOM 670 CA VAL A 43 10.905 13.217 1.795 1.00 2.15 C ATOM 671 C VAL A 43 12.399 13.447 2.091 1.00 75.31 C ATOM 672 O VAL A 43 13.194 13.683 1.179 1.00 11.11 O ATOM 673 CB VAL A 43 10.742 11.932 0.940 1.00 32.32 C ATOM 674 CG1 VAL A 43 11.363 10.723 1.645 1.00 65.40 C ATOM 675 CG2 VAL A 43 9.267 11.681 0.626 1.00 10.11 C ATOM 0 H VAL A 43 10.006 14.205 0.166 1.00 62.34 H new ATOM 0 HA VAL A 43 10.381 13.088 2.742 1.00 2.15 H new ATOM 0 HB VAL A 43 11.272 12.079 -0.001 1.00 32.32 H new ATOM 0 HG11 VAL A 43 11.235 9.835 1.025 1.00 65.40 H new ATOM 0 HG12 VAL A 43 12.426 10.903 1.807 1.00 65.40 H new ATOM 0 HG13 VAL A 43 10.870 10.569 2.605 1.00 65.40 H new ATOM 0 HG21 VAL A 43 9.172 10.776 0.026 1.00 10.11 H new ATOM 0 HG22 VAL A 43 8.712 11.559 1.557 1.00 10.11 H new ATOM 0 HG23 VAL A 43 8.864 12.528 0.071 1.00 10.11 H new ATOM 685 N VAL A 44 12.772 13.375 3.370 1.00 34.23 N ATOM 686 CA VAL A 44 14.164 13.595 3.786 1.00 54.21 C ATOM 687 C VAL A 44 14.877 12.284 4.172 1.00 61.22 C ATOM 688 O VAL A 44 14.260 11.345 4.674 1.00 52.45 O ATOM 689 CB VAL A 44 14.252 14.594 4.970 1.00 62.35 C ATOM 690 CG1 VAL A 44 13.713 15.966 4.561 1.00 43.24 C ATOM 691 CG2 VAL A 44 13.502 14.059 6.191 1.00 0.22 C ATOM 0 H VAL A 44 12.133 13.167 4.137 1.00 34.23 H new ATOM 0 HA VAL A 44 14.672 14.018 2.919 1.00 54.21 H new ATOM 0 HB VAL A 44 15.302 14.707 5.241 1.00 62.35 H new ATOM 0 HG11 VAL A 44 13.784 16.651 5.406 1.00 43.24 H new ATOM 0 HG12 VAL A 44 14.300 16.354 3.729 1.00 43.24 H new ATOM 0 HG13 VAL A 44 12.671 15.872 4.257 1.00 43.24 H new ATOM 0 HG21 VAL A 44 13.578 14.777 7.008 1.00 0.22 H new ATOM 0 HG22 VAL A 44 12.453 13.909 5.936 1.00 0.22 H new ATOM 0 HG23 VAL A 44 13.940 13.110 6.500 1.00 0.22 H new ATOM 701 N ASN A 45 16.187 12.245 3.933 1.00 74.33 N ATOM 702 CA ASN A 45 17.027 11.079 4.251 1.00 63.45 C ATOM 703 C ASN A 45 17.423 11.048 5.740 1.00 62.13 C ATOM 704 O ASN A 45 17.960 10.055 6.231 1.00 14.43 O ATOM 705 CB ASN A 45 18.281 11.111 3.356 1.00 23.44 C ATOM 706 CG ASN A 45 19.287 10.015 3.674 1.00 60.03 C ATOM 707 OD1 ASN A 45 20.213 10.211 4.454 1.00 50.34 O ATOM 708 ND2 ASN A 45 19.117 8.856 3.078 1.00 31.43 N ATOM 0 H ASN A 45 16.702 13.019 3.513 1.00 74.33 H new ATOM 0 HA ASN A 45 16.455 10.172 4.057 1.00 63.45 H new ATOM 0 HB2 ASN A 45 17.975 11.020 2.314 1.00 23.44 H new ATOM 0 HB3 ASN A 45 18.768 12.081 3.462 1.00 23.44 H new ATOM 0 HD21 ASN A 45 19.765 8.089 3.259 1.00 31.43 H new ATOM 0 HD22 ASN A 45 18.337 8.723 2.434 1.00 31.43 H new ATOM 715 N LYS A 46 17.133 12.128 6.461 1.00 73.21 N ATOM 716 CA LYS A 46 17.528 12.249 7.871 1.00 13.15 C ATOM 717 C LYS A 46 16.369 12.767 8.739 1.00 40.24 C ATOM 718 O LYS A 46 15.724 13.762 8.408 1.00 63.11 O ATOM 719 CB LYS A 46 18.758 13.167 8.020 1.00 50.53 C ATOM 720 CG LYS A 46 18.581 14.579 7.458 1.00 54.21 C ATOM 721 CD LYS A 46 18.664 14.611 5.927 1.00 74.53 C ATOM 722 CE LYS A 46 18.515 16.025 5.375 1.00 13.22 C ATOM 723 NZ LYS A 46 18.674 16.072 3.896 1.00 64.22 N ATOM 0 H LYS A 46 16.626 12.935 6.097 1.00 73.21 H new ATOM 0 HA LYS A 46 17.792 11.251 8.222 1.00 13.15 H new ATOM 0 HB2 LYS A 46 19.011 13.242 9.078 1.00 50.53 H new ATOM 0 HB3 LYS A 46 19.606 12.697 7.522 1.00 50.53 H new ATOM 0 HG2 LYS A 46 17.617 14.976 7.776 1.00 54.21 H new ATOM 0 HG3 LYS A 46 19.348 15.232 7.875 1.00 54.21 H new ATOM 0 HD2 LYS A 46 19.620 14.196 5.607 1.00 74.53 H new ATOM 0 HD3 LYS A 46 17.884 13.975 5.508 1.00 74.53 H new ATOM 0 HE2 LYS A 46 17.535 16.417 5.646 1.00 13.22 H new ATOM 0 HE3 LYS A 46 19.257 16.674 5.839 1.00 13.22 H new ATOM 0 HZ1 LYS A 46 18.565 17.052 3.566 1.00 64.22 H new ATOM 0 HZ2 LYS A 46 19.619 15.723 3.637 1.00 64.22 H new ATOM 0 HZ3 LYS A 46 17.950 15.474 3.450 1.00 64.22 H new ATOM 737 N ALA A 47 16.138 12.095 9.865 1.00 65.14 N ATOM 738 CA ALA A 47 15.004 12.405 10.748 1.00 44.14 C ATOM 739 C ALA A 47 15.214 13.720 11.512 1.00 54.33 C ATOM 740 O ALA A 47 14.250 14.371 11.922 1.00 12.14 O ATOM 741 CB ALA A 47 14.771 11.256 11.725 1.00 13.54 C ATOM 0 H ALA A 47 16.723 11.326 10.193 1.00 65.14 H new ATOM 0 HA ALA A 47 14.122 12.530 10.120 1.00 44.14 H new ATOM 0 HB1 ALA A 47 13.929 11.496 12.374 1.00 13.54 H new ATOM 0 HB2 ALA A 47 14.552 10.344 11.169 1.00 13.54 H new ATOM 0 HB3 ALA A 47 15.665 11.106 12.330 1.00 13.54 H new ATOM 747 N GLU A 48 16.475 14.108 11.695 1.00 12.21 N ATOM 748 CA GLU A 48 16.817 15.351 12.399 1.00 4.23 C ATOM 749 C GLU A 48 16.083 16.567 11.802 1.00 43.14 C ATOM 750 O GLU A 48 15.669 17.474 12.527 1.00 63.43 O ATOM 751 CB GLU A 48 18.336 15.590 12.358 1.00 31.13 C ATOM 752 CG GLU A 48 18.899 15.748 10.945 1.00 75.20 C ATOM 753 CD GLU A 48 20.368 16.142 10.927 1.00 0.30 C ATOM 754 OE1 GLU A 48 20.673 17.326 11.177 1.00 41.42 O ATOM 755 OE2 GLU A 48 21.227 15.274 10.657 1.00 3.03 O ATOM 0 H GLU A 48 17.283 13.579 11.365 1.00 12.21 H new ATOM 0 HA GLU A 48 16.495 15.237 13.434 1.00 4.23 H new ATOM 0 HB2 GLU A 48 18.569 16.486 12.934 1.00 31.13 H new ATOM 0 HB3 GLU A 48 18.839 14.756 12.848 1.00 31.13 H new ATOM 0 HG2 GLU A 48 18.774 14.810 10.404 1.00 75.20 H new ATOM 0 HG3 GLU A 48 18.320 16.503 10.412 1.00 75.20 H new ATOM 762 N LYS A 49 15.913 16.567 10.478 1.00 24.34 N ATOM 763 CA LYS A 49 15.283 17.689 9.770 1.00 43.30 C ATOM 764 C LYS A 49 13.780 17.458 9.534 1.00 13.52 C ATOM 765 O LYS A 49 13.109 18.295 8.925 1.00 70.40 O ATOM 766 CB LYS A 49 15.991 17.924 8.424 1.00 43.31 C ATOM 767 CG LYS A 49 17.465 18.301 8.554 1.00 72.04 C ATOM 768 CD LYS A 49 17.650 19.600 9.333 1.00 61.34 C ATOM 769 CE LYS A 49 19.119 20.002 9.433 1.00 72.10 C ATOM 770 NZ LYS A 49 19.289 21.299 10.134 1.00 63.42 N ATOM 0 H LYS A 49 16.203 15.801 9.871 1.00 24.34 H new ATOM 0 HA LYS A 49 15.385 18.571 10.402 1.00 43.30 H new ATOM 0 HB2 LYS A 49 15.910 17.020 7.820 1.00 43.31 H new ATOM 0 HB3 LYS A 49 15.470 18.716 7.885 1.00 43.31 H new ATOM 0 HG2 LYS A 49 18.003 17.497 9.055 1.00 72.04 H new ATOM 0 HG3 LYS A 49 17.902 18.407 7.561 1.00 72.04 H new ATOM 0 HD2 LYS A 49 17.088 20.398 8.847 1.00 61.34 H new ATOM 0 HD3 LYS A 49 17.237 19.484 10.335 1.00 61.34 H new ATOM 0 HE2 LYS A 49 19.673 19.227 9.963 1.00 72.10 H new ATOM 0 HE3 LYS A 49 19.546 20.071 8.432 1.00 72.10 H new ATOM 0 HZ1 LYS A 49 20.300 21.538 10.182 1.00 63.42 H new ATOM 0 HZ2 LYS A 49 18.782 22.044 9.614 1.00 63.42 H new ATOM 0 HZ3 LYS A 49 18.905 21.226 11.098 1.00 63.42 H new ATOM 784 N SER A 50 13.249 16.336 10.021 1.00 5.24 N ATOM 785 CA SER A 50 11.830 15.992 9.810 1.00 34.51 C ATOM 786 C SER A 50 10.973 16.310 11.042 1.00 60.51 C ATOM 787 O SER A 50 11.489 16.693 12.096 1.00 31.11 O ATOM 788 CB SER A 50 11.675 14.503 9.458 1.00 1.12 C ATOM 789 OG SER A 50 11.994 13.660 10.558 1.00 64.24 O ATOM 0 H SER A 50 13.772 15.648 10.563 1.00 5.24 H new ATOM 0 HA SER A 50 11.479 16.604 8.979 1.00 34.51 H new ATOM 0 HB2 SER A 50 10.651 14.311 9.139 1.00 1.12 H new ATOM 0 HB3 SER A 50 12.322 14.260 8.615 1.00 1.12 H new ATOM 0 HG SER A 50 12.756 14.035 11.047 1.00 64.24 H new ATOM 795 N GLU A 51 9.657 16.162 10.891 1.00 33.34 N ATOM 796 CA GLU A 51 8.714 16.318 12.006 1.00 70.31 C ATOM 797 C GLU A 51 8.014 14.979 12.298 1.00 51.31 C ATOM 798 O GLU A 51 8.037 14.484 13.425 1.00 22.30 O ATOM 799 CB GLU A 51 7.681 17.420 11.679 1.00 33.12 C ATOM 800 CG GLU A 51 6.815 17.862 12.872 1.00 13.33 C ATOM 801 CD GLU A 51 5.446 17.187 12.931 1.00 5.04 C ATOM 802 OE1 GLU A 51 5.364 16.014 13.347 1.00 30.02 O ATOM 803 OE2 GLU A 51 4.440 17.840 12.575 1.00 35.31 O ATOM 0 H GLU A 51 9.214 15.932 10.001 1.00 33.34 H new ATOM 0 HA GLU A 51 9.264 16.619 12.898 1.00 70.31 H new ATOM 0 HB2 GLU A 51 8.209 18.290 11.288 1.00 33.12 H new ATOM 0 HB3 GLU A 51 7.026 17.061 10.885 1.00 33.12 H new ATOM 0 HG2 GLU A 51 7.353 17.650 13.796 1.00 13.33 H new ATOM 0 HG3 GLU A 51 6.674 18.942 12.825 1.00 13.33 H new ATOM 810 N ALA A 52 7.404 14.395 11.265 1.00 31.55 N ATOM 811 CA ALA A 52 6.718 13.101 11.390 1.00 73.54 C ATOM 812 C ALA A 52 7.480 11.981 10.664 1.00 33.31 C ATOM 813 O ALA A 52 8.091 12.207 9.616 1.00 70.42 O ATOM 814 CB ALA A 52 5.297 13.208 10.849 1.00 41.10 C ATOM 0 H ALA A 52 7.369 14.797 10.328 1.00 31.55 H new ATOM 0 HA ALA A 52 6.683 12.844 12.449 1.00 73.54 H new ATOM 0 HB1 ALA A 52 4.797 12.244 10.946 1.00 41.10 H new ATOM 0 HB2 ALA A 52 4.748 13.960 11.415 1.00 41.10 H new ATOM 0 HB3 ALA A 52 5.328 13.496 9.798 1.00 41.10 H new ATOM 820 N ILE A 53 7.435 10.779 11.226 1.00 11.12 N ATOM 821 CA ILE A 53 8.099 9.610 10.642 1.00 13.24 C ATOM 822 C ILE A 53 7.089 8.517 10.257 1.00 40.44 C ATOM 823 O ILE A 53 6.341 8.020 11.102 1.00 72.05 O ATOM 824 CB ILE A 53 9.145 9.012 11.622 1.00 13.42 C ATOM 825 CG1 ILE A 53 10.307 9.994 11.834 1.00 54.02 C ATOM 826 CG2 ILE A 53 9.662 7.662 11.121 1.00 22.12 C ATOM 827 CD1 ILE A 53 11.421 9.448 12.705 1.00 30.44 C ATOM 0 H ILE A 53 6.940 10.583 12.096 1.00 11.12 H new ATOM 0 HA ILE A 53 8.604 9.956 9.740 1.00 13.24 H new ATOM 0 HB ILE A 53 8.653 8.846 12.581 1.00 13.42 H new ATOM 0 HG12 ILE A 53 10.719 10.269 10.863 1.00 54.02 H new ATOM 0 HG13 ILE A 53 9.920 10.907 12.286 1.00 54.02 H new ATOM 0 HG21 ILE A 53 10.393 7.267 11.827 1.00 22.12 H new ATOM 0 HG22 ILE A 53 8.830 6.964 11.032 1.00 22.12 H new ATOM 0 HG23 ILE A 53 10.133 7.792 10.146 1.00 22.12 H new ATOM 0 HD11 ILE A 53 12.204 10.199 12.808 1.00 30.44 H new ATOM 0 HD12 ILE A 53 11.025 9.200 13.690 1.00 30.44 H new ATOM 0 HD13 ILE A 53 11.836 8.551 12.245 1.00 30.44 H new ATOM 839 N ILE A 54 7.072 8.146 8.979 1.00 74.35 N ATOM 840 CA ILE A 54 6.208 7.062 8.500 1.00 51.52 C ATOM 841 C ILE A 54 6.965 5.726 8.545 1.00 24.05 C ATOM 842 O ILE A 54 7.848 5.465 7.722 1.00 73.51 O ATOM 843 CB ILE A 54 5.683 7.312 7.056 1.00 52.31 C ATOM 844 CG1 ILE A 54 4.885 8.631 6.960 1.00 33.03 C ATOM 845 CG2 ILE A 54 4.811 6.139 6.596 1.00 71.03 C ATOM 846 CD1 ILE A 54 5.730 9.889 7.048 1.00 61.23 C ATOM 0 H ILE A 54 7.645 8.578 8.254 1.00 74.35 H new ATOM 0 HA ILE A 54 5.344 7.027 9.163 1.00 51.52 H new ATOM 0 HB ILE A 54 6.550 7.396 6.401 1.00 52.31 H new ATOM 0 HG12 ILE A 54 4.338 8.642 6.017 1.00 33.03 H new ATOM 0 HG13 ILE A 54 4.143 8.651 7.759 1.00 33.03 H new ATOM 0 HG21 ILE A 54 4.451 6.328 5.585 1.00 71.03 H new ATOM 0 HG22 ILE A 54 5.400 5.222 6.606 1.00 71.03 H new ATOM 0 HG23 ILE A 54 3.961 6.032 7.270 1.00 71.03 H new ATOM 0 HD11 ILE A 54 5.087 10.766 6.972 1.00 61.23 H new ATOM 0 HD12 ILE A 54 6.257 9.908 8.002 1.00 61.23 H new ATOM 0 HD13 ILE A 54 6.454 9.898 6.234 1.00 61.23 H new ATOM 858 N GLN A 55 6.625 4.887 9.520 1.00 72.13 N ATOM 859 CA GLN A 55 7.330 3.618 9.730 1.00 21.32 C ATOM 860 C GLN A 55 6.524 2.423 9.208 1.00 74.41 C ATOM 861 O GLN A 55 5.575 1.975 9.853 1.00 2.40 O ATOM 862 CB GLN A 55 7.619 3.427 11.226 1.00 71.42 C ATOM 863 CG GLN A 55 8.359 2.134 11.564 1.00 11.02 C ATOM 864 CD GLN A 55 8.512 1.926 13.061 1.00 42.32 C ATOM 865 OE1 GLN A 55 9.489 2.352 13.667 1.00 64.01 O ATOM 866 NE2 GLN A 55 7.547 1.270 13.674 1.00 72.25 N ATOM 0 H GLN A 55 5.866 5.060 10.179 1.00 72.13 H new ATOM 0 HA GLN A 55 8.264 3.662 9.170 1.00 21.32 H new ATOM 0 HB2 GLN A 55 8.208 4.272 11.581 1.00 71.42 H new ATOM 0 HB3 GLN A 55 6.675 3.445 11.771 1.00 71.42 H new ATOM 0 HG2 GLN A 55 7.821 1.288 11.136 1.00 11.02 H new ATOM 0 HG3 GLN A 55 9.345 2.152 11.100 1.00 11.02 H new ATOM 0 HE21 GLN A 55 6.746 0.927 13.143 1.00 72.25 H new ATOM 0 HE22 GLN A 55 7.601 1.105 14.679 1.00 72.25 H new ATOM 875 N ILE A 56 6.899 1.910 8.040 1.00 4.43 N ATOM 876 CA ILE A 56 6.281 0.699 7.503 1.00 2.25 C ATOM 877 C ILE A 56 7.023 -0.541 8.040 1.00 63.21 C ATOM 878 O ILE A 56 8.201 -0.756 7.754 1.00 72.32 O ATOM 879 CB ILE A 56 6.241 0.729 5.940 1.00 12.02 C ATOM 880 CG1 ILE A 56 5.430 -0.456 5.354 1.00 52.33 C ATOM 881 CG2 ILE A 56 7.649 0.777 5.345 1.00 30.32 C ATOM 882 CD1 ILE A 56 6.163 -1.785 5.307 1.00 30.15 C ATOM 0 H ILE A 56 7.626 2.312 7.448 1.00 4.43 H new ATOM 0 HA ILE A 56 5.245 0.648 7.838 1.00 2.25 H new ATOM 0 HB ILE A 56 5.725 1.646 5.656 1.00 12.02 H new ATOM 0 HG12 ILE A 56 4.523 -0.581 5.945 1.00 52.33 H new ATOM 0 HG13 ILE A 56 5.118 -0.196 4.342 1.00 52.33 H new ATOM 0 HG21 ILE A 56 7.584 0.797 4.257 1.00 30.32 H new ATOM 0 HG22 ILE A 56 8.161 1.674 5.694 1.00 30.32 H new ATOM 0 HG23 ILE A 56 8.207 -0.105 5.659 1.00 30.32 H new ATOM 0 HD11 ILE A 56 5.509 -2.546 4.881 1.00 30.15 H new ATOM 0 HD12 ILE A 56 7.056 -1.687 4.689 1.00 30.15 H new ATOM 0 HD13 ILE A 56 6.451 -2.078 6.317 1.00 30.15 H new ATOM 894 N VAL A 57 6.328 -1.341 8.845 1.00 75.43 N ATOM 895 CA VAL A 57 6.948 -2.482 9.526 1.00 64.23 C ATOM 896 C VAL A 57 7.102 -3.691 8.584 1.00 74.25 C ATOM 897 O VAL A 57 8.176 -4.283 8.488 1.00 75.55 O ATOM 898 CB VAL A 57 6.124 -2.894 10.773 1.00 54.34 C ATOM 899 CG1 VAL A 57 6.844 -3.978 11.573 1.00 31.30 C ATOM 900 CG2 VAL A 57 5.831 -1.676 11.650 1.00 22.45 C ATOM 0 H VAL A 57 5.335 -1.223 9.044 1.00 75.43 H new ATOM 0 HA VAL A 57 7.942 -2.165 9.842 1.00 64.23 H new ATOM 0 HB VAL A 57 5.175 -3.306 10.430 1.00 54.34 H new ATOM 0 HG11 VAL A 57 6.244 -4.248 12.442 1.00 31.30 H new ATOM 0 HG12 VAL A 57 6.990 -4.857 10.945 1.00 31.30 H new ATOM 0 HG13 VAL A 57 7.813 -3.603 11.903 1.00 31.30 H new ATOM 0 HG21 VAL A 57 5.252 -1.985 12.520 1.00 22.45 H new ATOM 0 HG22 VAL A 57 6.770 -1.230 11.979 1.00 22.45 H new ATOM 0 HG23 VAL A 57 5.262 -0.944 11.077 1.00 22.45 H new ATOM 910 N HIS A 58 6.019 -4.051 7.893 1.00 10.24 N ATOM 911 CA HIS A 58 6.036 -5.176 6.944 1.00 51.41 C ATOM 912 C HIS A 58 4.753 -5.226 6.099 1.00 72.54 C ATOM 913 O HIS A 58 3.683 -4.811 6.548 1.00 24.43 O ATOM 914 CB HIS A 58 6.247 -6.511 7.682 1.00 31.14 C ATOM 915 CG HIS A 58 5.335 -6.722 8.857 1.00 73.01 C ATOM 916 ND1 HIS A 58 5.768 -6.646 10.163 1.00 43.20 N ATOM 917 CD2 HIS A 58 4.015 -7.017 8.927 1.00 41.31 C ATOM 918 CE1 HIS A 58 4.764 -6.884 10.978 1.00 53.21 C ATOM 919 NE2 HIS A 58 3.687 -7.112 10.258 1.00 42.54 N ATOM 0 H HIS A 58 5.116 -3.582 7.970 1.00 10.24 H new ATOM 0 HA HIS A 58 6.874 -5.016 6.266 1.00 51.41 H new ATOM 0 HB2 HIS A 58 6.105 -7.329 6.976 1.00 31.14 H new ATOM 0 HB3 HIS A 58 7.280 -6.563 8.026 1.00 31.14 H new ATOM 0 HD2 HIS A 58 3.344 -7.152 8.091 1.00 41.31 H new ATOM 0 HE1 HIS A 58 4.815 -6.891 12.057 1.00 53.21 H new ATOM 0 HE2 HIS A 58 2.760 -7.325 10.627 1.00 42.54 H new ATOM 928 N ALA A 59 4.872 -5.741 4.876 1.00 74.43 N ATOM 929 CA ALA A 59 3.735 -5.838 3.951 1.00 40.24 C ATOM 930 C ALA A 59 3.592 -7.262 3.383 1.00 35.10 C ATOM 931 O ALA A 59 4.429 -7.717 2.601 1.00 73.24 O ATOM 932 CB ALA A 59 3.892 -4.827 2.820 1.00 53.24 C ATOM 0 H ALA A 59 5.748 -6.100 4.498 1.00 74.43 H new ATOM 0 HA ALA A 59 2.826 -5.611 4.508 1.00 40.24 H new ATOM 0 HB1 ALA A 59 3.044 -4.907 2.140 1.00 53.24 H new ATOM 0 HB2 ALA A 59 3.930 -3.820 3.235 1.00 53.24 H new ATOM 0 HB3 ALA A 59 4.814 -5.030 2.276 1.00 53.24 H new ATOM 938 N ILE A 60 2.529 -7.959 3.783 1.00 11.30 N ATOM 939 CA ILE A 60 2.285 -9.338 3.344 1.00 50.02 C ATOM 940 C ILE A 60 1.429 -9.364 2.067 1.00 53.40 C ATOM 941 O ILE A 60 0.353 -8.770 2.018 1.00 20.01 O ATOM 942 CB ILE A 60 1.569 -10.182 4.442 1.00 61.34 C ATOM 943 CG1 ILE A 60 2.399 -10.240 5.741 1.00 1.44 C ATOM 944 CG2 ILE A 60 1.284 -11.598 3.935 1.00 35.03 C ATOM 945 CD1 ILE A 60 2.410 -8.952 6.536 1.00 3.22 C ATOM 0 H ILE A 60 1.817 -7.591 4.414 1.00 11.30 H new ATOM 0 HA ILE A 60 3.263 -9.777 3.145 1.00 50.02 H new ATOM 0 HB ILE A 60 0.623 -9.691 4.668 1.00 61.34 H new ATOM 0 HG12 ILE A 60 2.008 -11.038 6.372 1.00 1.44 H new ATOM 0 HG13 ILE A 60 3.426 -10.506 5.490 1.00 1.44 H new ATOM 0 HG21 ILE A 60 0.784 -12.170 4.716 1.00 35.03 H new ATOM 0 HG22 ILE A 60 0.642 -11.547 3.055 1.00 35.03 H new ATOM 0 HG23 ILE A 60 2.222 -12.086 3.672 1.00 35.03 H new ATOM 0 HD11 ILE A 60 3.017 -9.083 7.432 1.00 3.22 H new ATOM 0 HD12 ILE A 60 2.830 -8.152 5.927 1.00 3.22 H new ATOM 0 HD13 ILE A 60 1.391 -8.693 6.822 1.00 3.22 H new ATOM 957 N ARG A 61 1.913 -10.053 1.038 1.00 34.41 N ATOM 958 CA ARG A 61 1.183 -10.183 -0.231 1.00 44.14 C ATOM 959 C ARG A 61 0.909 -11.658 -0.556 1.00 22.21 C ATOM 960 O ARG A 61 1.834 -12.425 -0.834 1.00 42.51 O ATOM 961 CB ARG A 61 1.970 -9.505 -1.368 1.00 20.22 C ATOM 962 CG ARG A 61 3.468 -9.797 -1.343 1.00 72.22 C ATOM 963 CD ARG A 61 4.214 -9.062 -2.454 1.00 2.34 C ATOM 964 NE ARG A 61 5.665 -9.143 -2.286 1.00 61.42 N ATOM 965 CZ ARG A 61 6.532 -8.991 -3.249 1.00 51.54 C ATOM 966 NH1 ARG A 61 6.141 -8.798 -4.470 1.00 62.31 N ATOM 967 NH2 ARG A 61 7.797 -9.040 -2.988 1.00 74.32 N ATOM 0 H ARG A 61 2.812 -10.534 1.053 1.00 34.41 H new ATOM 0 HA ARG A 61 0.221 -9.681 -0.130 1.00 44.14 H new ATOM 0 HB2 ARG A 61 1.562 -9.832 -2.324 1.00 20.22 H new ATOM 0 HB3 ARG A 61 1.819 -8.427 -1.309 1.00 20.22 H new ATOM 0 HG2 ARG A 61 3.878 -9.504 -0.376 1.00 72.22 H new ATOM 0 HG3 ARG A 61 3.630 -10.870 -1.446 1.00 72.22 H new ATOM 0 HD2 ARG A 61 3.937 -9.486 -3.419 1.00 2.34 H new ATOM 0 HD3 ARG A 61 3.908 -8.016 -2.466 1.00 2.34 H new ATOM 0 HE ARG A 61 6.024 -9.332 -1.350 1.00 61.42 H new ATOM 0 HH11 ARG A 61 5.145 -8.763 -4.687 1.00 62.31 H new ATOM 0 HH12 ARG A 61 6.829 -8.681 -5.213 1.00 62.31 H new ATOM 0 HH21 ARG A 61 8.115 -9.197 -2.032 1.00 74.32 H new ATOM 0 HH22 ARG A 61 8.478 -8.922 -3.738 1.00 74.32 H new ATOM 981 N GLU A 62 -0.364 -12.055 -0.510 1.00 70.10 N ATOM 982 CA GLU A 62 -0.745 -13.460 -0.703 1.00 15.25 C ATOM 983 C GLU A 62 -1.732 -13.631 -1.868 1.00 13.32 C ATOM 984 O GLU A 62 -2.728 -12.913 -1.974 1.00 44.45 O ATOM 985 CB GLU A 62 -1.373 -14.020 0.582 1.00 22.34 C ATOM 986 CG GLU A 62 -0.462 -13.954 1.800 1.00 32.45 C ATOM 987 CD GLU A 62 -1.114 -14.537 3.042 1.00 73.14 C ATOM 988 OE1 GLU A 62 -1.137 -15.780 3.179 1.00 73.33 O ATOM 989 OE2 GLU A 62 -1.620 -13.762 3.883 1.00 21.33 O ATOM 0 H GLU A 62 -1.149 -11.426 -0.341 1.00 70.10 H new ATOM 0 HA GLU A 62 0.164 -14.012 -0.944 1.00 15.25 H new ATOM 0 HB2 GLU A 62 -2.288 -13.468 0.796 1.00 22.34 H new ATOM 0 HB3 GLU A 62 -1.659 -15.058 0.411 1.00 22.34 H new ATOM 0 HG2 GLU A 62 0.461 -14.494 1.590 1.00 32.45 H new ATOM 0 HG3 GLU A 62 -0.188 -12.916 1.990 1.00 32.45 H new ATOM 996 N LYS A 63 -1.446 -14.598 -2.737 1.00 71.32 N ATOM 997 CA LYS A 63 -2.342 -14.937 -3.847 1.00 13.31 C ATOM 998 C LYS A 63 -3.035 -16.286 -3.589 1.00 61.31 C ATOM 999 O LYS A 63 -2.412 -17.348 -3.686 1.00 20.54 O ATOM 1000 CB LYS A 63 -1.564 -14.985 -5.172 1.00 45.54 C ATOM 1001 CG LYS A 63 -0.890 -13.665 -5.552 1.00 64.31 C ATOM 1002 CD LYS A 63 -0.241 -13.736 -6.938 1.00 20.44 C ATOM 1003 CE LYS A 63 -1.283 -13.835 -8.054 1.00 25.44 C ATOM 1004 NZ LYS A 63 -0.666 -14.159 -9.367 1.00 43.44 N ATOM 0 H LYS A 63 -0.598 -15.164 -2.696 1.00 71.32 H new ATOM 0 HA LYS A 63 -3.105 -14.162 -3.919 1.00 13.31 H new ATOM 0 HB2 LYS A 63 -0.803 -15.763 -5.106 1.00 45.54 H new ATOM 0 HB3 LYS A 63 -2.247 -15.275 -5.971 1.00 45.54 H new ATOM 0 HG2 LYS A 63 -1.628 -12.863 -5.537 1.00 64.31 H new ATOM 0 HG3 LYS A 63 -0.133 -13.416 -4.808 1.00 64.31 H new ATOM 0 HD2 LYS A 63 0.376 -12.851 -7.095 1.00 20.44 H new ATOM 0 HD3 LYS A 63 0.423 -14.599 -6.984 1.00 20.44 H new ATOM 0 HE2 LYS A 63 -2.015 -14.601 -7.799 1.00 25.44 H new ATOM 0 HE3 LYS A 63 -1.823 -12.891 -8.130 1.00 25.44 H new ATOM 0 HZ1 LYS A 63 -1.196 -13.685 -10.126 1.00 43.44 H new ATOM 0 HZ2 LYS A 63 0.321 -13.832 -9.377 1.00 43.44 H new ATOM 0 HZ3 LYS A 63 -0.691 -15.188 -9.518 1.00 43.44 H new ATOM 1018 N ARG A 64 -4.327 -16.235 -3.265 1.00 13.34 N ATOM 1019 CA ARG A 64 -5.087 -17.434 -2.870 1.00 14.54 C ATOM 1020 C ARG A 64 -6.438 -17.546 -3.596 1.00 54.05 C ATOM 1021 O ARG A 64 -6.941 -16.580 -4.164 1.00 22.21 O ATOM 1022 CB ARG A 64 -5.310 -17.436 -1.345 1.00 25.01 C ATOM 1023 CG ARG A 64 -5.410 -16.039 -0.731 1.00 35.53 C ATOM 1024 CD ARG A 64 -6.000 -16.068 0.676 1.00 53.31 C ATOM 1025 NE ARG A 64 -7.462 -16.041 0.650 1.00 13.11 N ATOM 1026 CZ ARG A 64 -8.240 -16.838 1.328 1.00 0.55 C ATOM 1027 NH1 ARG A 64 -7.747 -17.772 2.072 1.00 50.43 N ATOM 1028 NH2 ARG A 64 -9.522 -16.685 1.261 1.00 12.14 N ATOM 0 H ARG A 64 -4.876 -15.375 -3.267 1.00 13.34 H new ATOM 0 HA ARG A 64 -4.493 -18.300 -3.162 1.00 14.54 H new ATOM 0 HB2 ARG A 64 -6.224 -17.986 -1.122 1.00 25.01 H new ATOM 0 HB3 ARG A 64 -4.490 -17.974 -0.869 1.00 25.01 H new ATOM 0 HG2 ARG A 64 -4.419 -15.587 -0.698 1.00 35.53 H new ATOM 0 HG3 ARG A 64 -6.028 -15.407 -1.369 1.00 35.53 H new ATOM 0 HD2 ARG A 64 -5.662 -16.965 1.194 1.00 53.31 H new ATOM 0 HD3 ARG A 64 -5.630 -15.214 1.243 1.00 53.31 H new ATOM 0 HE ARG A 64 -7.908 -15.344 0.054 1.00 13.11 H new ATOM 0 HH11 ARG A 64 -6.736 -17.894 2.135 1.00 50.43 H new ATOM 0 HH12 ARG A 64 -8.369 -18.388 2.596 1.00 50.43 H new ATOM 0 HH21 ARG A 64 -9.918 -15.945 0.681 1.00 12.14 H new ATOM 0 HH22 ARG A 64 -10.138 -17.304 1.788 1.00 12.14 H new ATOM 1042 N ILE A 65 -7.015 -18.747 -3.569 1.00 74.14 N ATOM 1043 CA ILE A 65 -8.328 -19.005 -4.167 1.00 45.20 C ATOM 1044 C ILE A 65 -9.480 -18.586 -3.237 1.00 14.21 C ATOM 1045 O ILE A 65 -9.410 -18.754 -2.019 1.00 21.03 O ATOM 1046 CB ILE A 65 -8.477 -20.512 -4.543 1.00 4.52 C ATOM 1047 CG1 ILE A 65 -7.873 -20.784 -5.933 1.00 2.34 C ATOM 1048 CG2 ILE A 65 -9.939 -20.968 -4.493 1.00 71.30 C ATOM 1049 CD1 ILE A 65 -8.638 -20.125 -7.067 1.00 64.43 C ATOM 0 H ILE A 65 -6.589 -19.566 -3.135 1.00 74.14 H new ATOM 0 HA ILE A 65 -8.389 -18.399 -5.071 1.00 45.20 H new ATOM 0 HB ILE A 65 -7.927 -21.091 -3.801 1.00 4.52 H new ATOM 0 HG12 ILE A 65 -6.842 -20.430 -5.948 1.00 2.34 H new ATOM 0 HG13 ILE A 65 -7.843 -21.860 -6.103 1.00 2.34 H new ATOM 0 HG21 ILE A 65 -10.001 -22.023 -4.761 1.00 71.30 H new ATOM 0 HG22 ILE A 65 -10.330 -20.826 -3.485 1.00 71.30 H new ATOM 0 HG23 ILE A 65 -10.528 -20.380 -5.197 1.00 71.30 H new ATOM 0 HD11 ILE A 65 -8.156 -20.360 -8.016 1.00 64.43 H new ATOM 0 HD12 ILE A 65 -9.663 -20.497 -7.079 1.00 64.43 H new ATOM 0 HD13 ILE A 65 -8.646 -19.045 -6.921 1.00 64.43 H new ATOM 1061 N LEU A 66 -10.533 -18.030 -3.829 1.00 3.55 N ATOM 1062 CA LEU A 66 -11.766 -17.712 -3.104 1.00 21.32 C ATOM 1063 C LEU A 66 -12.829 -18.794 -3.360 1.00 34.01 C ATOM 1064 O LEU A 66 -13.357 -19.403 -2.425 1.00 74.23 O ATOM 1065 CB LEU A 66 -12.293 -16.337 -3.541 1.00 1.31 C ATOM 1066 CG LEU A 66 -13.578 -15.865 -2.838 1.00 45.41 C ATOM 1067 CD1 LEU A 66 -13.371 -15.792 -1.325 1.00 41.52 C ATOM 1068 CD2 LEU A 66 -14.028 -14.512 -3.391 1.00 4.13 C ATOM 0 H LEU A 66 -10.559 -17.787 -4.819 1.00 3.55 H new ATOM 0 HA LEU A 66 -11.548 -17.684 -2.036 1.00 21.32 H new ATOM 0 HB2 LEU A 66 -11.512 -15.596 -3.368 1.00 1.31 H new ATOM 0 HB3 LEU A 66 -12.476 -16.362 -4.615 1.00 1.31 H new ATOM 0 HG LEU A 66 -14.365 -16.593 -3.037 1.00 45.41 H new ATOM 0 HD11 LEU A 66 -14.292 -15.456 -0.848 1.00 41.52 H new ATOM 0 HD12 LEU A 66 -13.105 -16.779 -0.946 1.00 41.52 H new ATOM 0 HD13 LEU A 66 -12.569 -15.089 -1.101 1.00 41.52 H new ATOM 0 HD21 LEU A 66 -14.938 -14.195 -2.881 1.00 4.13 H new ATOM 0 HD22 LEU A 66 -13.244 -13.773 -3.227 1.00 4.13 H new ATOM 0 HD23 LEU A 66 -14.223 -14.602 -4.460 1.00 4.13 H new ATOM 1080 N SER A 67 -13.112 -19.042 -4.639 1.00 20.34 N ATOM 1081 CA SER A 67 -14.094 -20.060 -5.048 1.00 75.52 C ATOM 1082 C SER A 67 -13.551 -20.913 -6.203 1.00 74.01 C ATOM 1083 O SER A 67 -12.737 -20.443 -7.004 1.00 45.02 O ATOM 1084 CB SER A 67 -15.410 -19.397 -5.474 1.00 71.31 C ATOM 1085 OG SER A 67 -15.972 -18.632 -4.418 1.00 71.01 O ATOM 0 H SER A 67 -12.674 -18.551 -5.418 1.00 20.34 H new ATOM 0 HA SER A 67 -14.279 -20.707 -4.191 1.00 75.52 H new ATOM 0 HB2 SER A 67 -15.233 -18.754 -6.336 1.00 71.31 H new ATOM 0 HB3 SER A 67 -16.120 -20.163 -5.788 1.00 71.31 H new ATOM 0 HG SER A 67 -16.808 -18.221 -4.721 1.00 71.01 H new ATOM 1091 N LEU A 68 -14.018 -22.158 -6.300 1.00 4.22 N ATOM 1092 CA LEU A 68 -13.521 -23.104 -7.313 1.00 73.44 C ATOM 1093 C LEU A 68 -14.622 -23.538 -8.293 1.00 42.33 C ATOM 1094 O LEU A 68 -15.809 -23.509 -7.972 1.00 32.11 O ATOM 1095 CB LEU A 68 -12.934 -24.354 -6.633 1.00 65.33 C ATOM 1096 CG LEU A 68 -11.637 -24.133 -5.839 1.00 0.24 C ATOM 1097 CD1 LEU A 68 -11.231 -25.408 -5.102 1.00 51.24 C ATOM 1098 CD2 LEU A 68 -10.513 -23.667 -6.765 1.00 14.03 C ATOM 0 H LEU A 68 -14.741 -22.540 -5.691 1.00 4.22 H new ATOM 0 HA LEU A 68 -12.748 -22.584 -7.879 1.00 73.44 H new ATOM 0 HB2 LEU A 68 -13.685 -24.765 -5.959 1.00 65.33 H new ATOM 0 HB3 LEU A 68 -12.746 -25.107 -7.398 1.00 65.33 H new ATOM 0 HG LEU A 68 -11.818 -23.354 -5.099 1.00 0.24 H new ATOM 0 HD11 LEU A 68 -10.310 -25.230 -4.546 1.00 51.24 H new ATOM 0 HD12 LEU A 68 -12.022 -25.696 -4.410 1.00 51.24 H new ATOM 0 HD13 LEU A 68 -11.070 -26.209 -5.823 1.00 51.24 H new ATOM 0 HD21 LEU A 68 -9.603 -23.516 -6.185 1.00 14.03 H new ATOM 0 HD22 LEU A 68 -10.335 -24.423 -7.530 1.00 14.03 H new ATOM 0 HD23 LEU A 68 -10.799 -22.729 -7.242 1.00 14.03 H new ATOM 1110 N SER A 69 -14.209 -23.953 -9.487 1.00 12.22 N ATOM 1111 CA SER A 69 -15.124 -24.519 -10.488 1.00 65.22 C ATOM 1112 C SER A 69 -14.891 -26.029 -10.613 1.00 73.32 C ATOM 1113 O SER A 69 -13.745 -26.478 -10.680 1.00 13.13 O ATOM 1114 CB SER A 69 -14.919 -23.847 -11.852 1.00 71.31 C ATOM 1115 OG SER A 69 -15.807 -24.377 -12.824 1.00 62.52 O ATOM 0 H SER A 69 -13.237 -23.909 -9.792 1.00 12.22 H new ATOM 0 HA SER A 69 -16.148 -24.337 -10.162 1.00 65.22 H new ATOM 0 HB2 SER A 69 -15.077 -22.773 -11.758 1.00 71.31 H new ATOM 0 HB3 SER A 69 -13.889 -23.990 -12.180 1.00 71.31 H new ATOM 0 HG SER A 69 -15.656 -23.930 -13.683 1.00 62.52 H new ATOM 1121 N GLU A 70 -15.973 -26.810 -10.621 1.00 31.12 N ATOM 1122 CA GLU A 70 -15.885 -28.280 -10.692 1.00 74.12 C ATOM 1123 C GLU A 70 -15.046 -28.866 -9.537 1.00 32.01 C ATOM 1124 O GLU A 70 -14.542 -29.987 -9.631 1.00 34.45 O ATOM 1125 CB GLU A 70 -15.290 -28.724 -12.040 1.00 11.21 C ATOM 1126 CG GLU A 70 -16.114 -28.306 -13.251 1.00 73.12 C ATOM 1127 CD GLU A 70 -15.496 -28.774 -14.561 1.00 10.32 C ATOM 1128 OE1 GLU A 70 -15.701 -29.949 -14.935 1.00 12.01 O ATOM 1129 OE2 GLU A 70 -14.801 -27.974 -15.222 1.00 53.45 O ATOM 0 H GLU A 70 -16.927 -26.452 -10.579 1.00 31.12 H new ATOM 0 HA GLU A 70 -16.901 -28.664 -10.599 1.00 74.12 H new ATOM 0 HB2 GLU A 70 -14.286 -28.310 -12.136 1.00 11.21 H new ATOM 0 HB3 GLU A 70 -15.188 -29.809 -12.040 1.00 11.21 H new ATOM 0 HG2 GLU A 70 -17.121 -28.714 -13.161 1.00 73.12 H new ATOM 0 HG3 GLU A 70 -16.210 -27.220 -13.265 1.00 73.12 H new ATOM 1136 N SER A 71 -14.914 -28.102 -8.446 1.00 64.25 N ATOM 1137 CA SER A 71 -14.085 -28.502 -7.292 1.00 30.23 C ATOM 1138 C SER A 71 -12.623 -28.745 -7.705 1.00 43.04 C ATOM 1139 O SER A 71 -11.938 -29.608 -7.149 1.00 10.01 O ATOM 1140 CB SER A 71 -14.662 -29.757 -6.608 1.00 22.31 C ATOM 1141 OG SER A 71 -13.899 -30.119 -5.463 1.00 3.20 O ATOM 0 H SER A 71 -15.372 -27.197 -8.334 1.00 64.25 H new ATOM 0 HA SER A 71 -14.102 -27.678 -6.579 1.00 30.23 H new ATOM 0 HB2 SER A 71 -15.695 -29.571 -6.315 1.00 22.31 H new ATOM 0 HB3 SER A 71 -14.675 -30.586 -7.316 1.00 22.31 H new ATOM 0 HG SER A 71 -12.957 -30.216 -5.715 1.00 3.20 H new ATOM 1147 N GLY A 72 -12.142 -27.968 -8.673 1.00 43.35 N ATOM 1148 CA GLY A 72 -10.763 -28.109 -9.137 1.00 34.44 C ATOM 1149 C GLY A 72 -10.269 -26.894 -9.917 1.00 23.33 C ATOM 1150 O GLY A 72 -9.193 -26.359 -9.637 1.00 75.45 O ATOM 0 H GLY A 72 -12.679 -27.242 -9.147 1.00 43.35 H new ATOM 0 HA2 GLY A 72 -10.112 -28.272 -8.278 1.00 34.44 H new ATOM 0 HA3 GLY A 72 -10.687 -28.995 -9.768 1.00 34.44 H new ATOM 1154 N ARG A 73 -11.061 -26.455 -10.897 1.00 31.32 N ATOM 1155 CA ARG A 73 -10.717 -25.286 -11.721 1.00 52.32 C ATOM 1156 C ARG A 73 -10.841 -23.984 -10.910 1.00 74.02 C ATOM 1157 O ARG A 73 -11.451 -23.963 -9.841 1.00 14.01 O ATOM 1158 CB ARG A 73 -11.630 -25.203 -12.959 1.00 0.11 C ATOM 1159 CG ARG A 73 -11.454 -26.328 -13.985 1.00 34.35 C ATOM 1160 CD ARG A 73 -11.823 -27.704 -13.430 1.00 34.13 C ATOM 1161 NE ARG A 73 -12.105 -28.660 -14.496 1.00 5.42 N ATOM 1162 CZ ARG A 73 -11.520 -29.818 -14.636 1.00 65.32 C ATOM 1163 NH1 ARG A 73 -10.612 -30.214 -13.802 1.00 53.23 N ATOM 1164 NH2 ARG A 73 -11.853 -30.588 -15.618 1.00 21.11 N ATOM 0 H ARG A 73 -11.950 -26.891 -11.143 1.00 31.32 H new ATOM 0 HA ARG A 73 -9.683 -25.406 -12.044 1.00 52.32 H new ATOM 0 HB2 ARG A 73 -12.667 -25.199 -12.624 1.00 0.11 H new ATOM 0 HB3 ARG A 73 -11.452 -24.250 -13.457 1.00 0.11 H new ATOM 0 HG2 ARG A 73 -12.072 -26.117 -14.858 1.00 34.35 H new ATOM 0 HG3 ARG A 73 -10.418 -26.345 -14.324 1.00 34.35 H new ATOM 0 HD2 ARG A 73 -11.006 -28.078 -12.813 1.00 34.13 H new ATOM 0 HD3 ARG A 73 -12.695 -27.613 -12.783 1.00 34.13 H new ATOM 0 HE ARG A 73 -12.813 -28.404 -15.184 1.00 5.42 H new ATOM 0 HH11 ARG A 73 -10.343 -29.617 -13.020 1.00 53.23 H new ATOM 0 HH12 ARG A 73 -10.166 -31.123 -13.928 1.00 53.23 H new ATOM 0 HH21 ARG A 73 -12.570 -30.290 -16.279 1.00 21.11 H new ATOM 0 HH22 ARG A 73 -11.399 -31.494 -15.732 1.00 21.11 H new ATOM 1178 N VAL A 74 -10.273 -22.901 -11.426 1.00 31.34 N ATOM 1179 CA VAL A 74 -10.365 -21.591 -10.772 1.00 51.43 C ATOM 1180 C VAL A 74 -11.699 -20.896 -11.102 1.00 61.24 C ATOM 1181 O VAL A 74 -12.220 -21.022 -12.210 1.00 3.51 O ATOM 1182 CB VAL A 74 -9.187 -20.671 -11.194 1.00 62.13 C ATOM 1183 CG1 VAL A 74 -9.295 -19.295 -10.536 1.00 13.53 C ATOM 1184 CG2 VAL A 74 -7.848 -21.326 -10.859 1.00 41.43 C ATOM 0 H VAL A 74 -9.742 -22.899 -12.297 1.00 31.34 H new ATOM 0 HA VAL A 74 -10.313 -21.765 -9.697 1.00 51.43 H new ATOM 0 HB VAL A 74 -9.242 -20.529 -12.273 1.00 62.13 H new ATOM 0 HG11 VAL A 74 -8.456 -18.674 -10.851 1.00 13.53 H new ATOM 0 HG12 VAL A 74 -10.230 -18.821 -10.835 1.00 13.53 H new ATOM 0 HG13 VAL A 74 -9.276 -19.408 -9.452 1.00 13.53 H new ATOM 0 HG21 VAL A 74 -7.035 -20.667 -11.162 1.00 41.43 H new ATOM 0 HG22 VAL A 74 -7.789 -21.505 -9.785 1.00 41.43 H new ATOM 0 HG23 VAL A 74 -7.764 -22.274 -11.390 1.00 41.43 H new ATOM 1194 N ARG A 75 -12.263 -20.190 -10.127 1.00 11.42 N ATOM 1195 CA ARG A 75 -13.479 -19.397 -10.351 1.00 42.53 C ATOM 1196 C ARG A 75 -13.226 -17.926 -9.978 1.00 54.35 C ATOM 1197 O ARG A 75 -13.103 -17.062 -10.851 1.00 31.55 O ATOM 1198 CB ARG A 75 -14.652 -19.981 -9.541 1.00 33.31 C ATOM 1199 CG ARG A 75 -15.912 -20.230 -10.369 1.00 43.13 C ATOM 1200 CD ARG A 75 -17.086 -20.672 -9.500 1.00 11.13 C ATOM 1201 NE ARG A 75 -17.453 -19.650 -8.522 1.00 40.33 N ATOM 1202 CZ ARG A 75 -18.269 -19.838 -7.523 1.00 43.31 C ATOM 1203 NH1 ARG A 75 -18.807 -20.993 -7.308 1.00 34.03 N ATOM 1204 NH2 ARG A 75 -18.536 -18.865 -6.722 1.00 53.25 N ATOM 0 H ARG A 75 -11.902 -20.147 -9.174 1.00 11.42 H new ATOM 0 HA ARG A 75 -13.744 -19.440 -11.407 1.00 42.53 H new ATOM 0 HB2 ARG A 75 -14.336 -20.920 -9.087 1.00 33.31 H new ATOM 0 HB3 ARG A 75 -14.893 -19.299 -8.726 1.00 33.31 H new ATOM 0 HG2 ARG A 75 -16.180 -19.320 -10.905 1.00 43.13 H new ATOM 0 HG3 ARG A 75 -15.708 -20.994 -11.120 1.00 43.13 H new ATOM 0 HD2 ARG A 75 -17.945 -20.893 -10.134 1.00 11.13 H new ATOM 0 HD3 ARG A 75 -16.827 -21.595 -8.981 1.00 11.13 H new ATOM 0 HE ARG A 75 -17.041 -18.723 -8.629 1.00 40.33 H new ATOM 0 HH11 ARG A 75 -18.595 -21.777 -7.925 1.00 34.03 H new ATOM 0 HH12 ARG A 75 -19.443 -21.121 -6.521 1.00 34.03 H new ATOM 0 HH21 ARG A 75 -18.109 -17.951 -6.870 1.00 53.25 H new ATOM 0 HH22 ARG A 75 -19.174 -19.009 -5.939 1.00 53.25 H new ATOM 1218 N GLU A 76 -13.148 -17.649 -8.676 1.00 20.02 N ATOM 1219 CA GLU A 76 -12.750 -16.324 -8.185 1.00 74.22 C ATOM 1220 C GLU A 76 -11.435 -16.421 -7.406 1.00 65.12 C ATOM 1221 O GLU A 76 -11.308 -17.223 -6.476 1.00 52.23 O ATOM 1222 CB GLU A 76 -13.832 -15.690 -7.292 1.00 13.33 C ATOM 1223 CG GLU A 76 -15.145 -15.369 -8.008 1.00 73.25 C ATOM 1224 CD GLU A 76 -16.057 -16.576 -8.160 1.00 13.51 C ATOM 1225 OE1 GLU A 76 -16.686 -16.975 -7.163 1.00 51.31 O ATOM 1226 OE2 GLU A 76 -16.152 -17.128 -9.272 1.00 40.05 O ATOM 0 H GLU A 76 -13.355 -18.324 -7.940 1.00 20.02 H new ATOM 0 HA GLU A 76 -12.617 -15.684 -9.057 1.00 74.22 H new ATOM 0 HB2 GLU A 76 -14.042 -16.366 -6.463 1.00 13.33 H new ATOM 0 HB3 GLU A 76 -13.435 -14.771 -6.861 1.00 13.33 H new ATOM 0 HG2 GLU A 76 -15.672 -14.591 -7.455 1.00 73.25 H new ATOM 0 HG3 GLU A 76 -14.923 -14.963 -8.995 1.00 73.25 H new ATOM 1233 N PHE A 77 -10.459 -15.607 -7.791 1.00 22.31 N ATOM 1234 CA PHE A 77 -9.140 -15.620 -7.153 1.00 34.43 C ATOM 1235 C PHE A 77 -8.994 -14.427 -6.190 1.00 72.51 C ATOM 1236 O PHE A 77 -9.155 -13.275 -6.589 1.00 3.54 O ATOM 1237 CB PHE A 77 -8.050 -15.589 -8.235 1.00 52.45 C ATOM 1238 CG PHE A 77 -6.696 -16.053 -7.760 1.00 23.52 C ATOM 1239 CD1 PHE A 77 -6.418 -17.408 -7.648 1.00 52.01 C ATOM 1240 CD2 PHE A 77 -5.705 -15.143 -7.435 1.00 52.41 C ATOM 1241 CE1 PHE A 77 -5.178 -17.842 -7.220 1.00 71.10 C ATOM 1242 CE2 PHE A 77 -4.466 -15.572 -7.007 1.00 53.21 C ATOM 1243 CZ PHE A 77 -4.200 -16.922 -6.899 1.00 63.12 C ATOM 0 H PHE A 77 -10.553 -14.926 -8.544 1.00 22.31 H new ATOM 0 HA PHE A 77 -9.031 -16.533 -6.568 1.00 34.43 H new ATOM 0 HB2 PHE A 77 -8.364 -16.215 -9.070 1.00 52.45 H new ATOM 0 HB3 PHE A 77 -7.960 -14.572 -8.616 1.00 52.45 H new ATOM 0 HD1 PHE A 77 -7.180 -18.132 -7.898 1.00 52.01 H new ATOM 0 HD2 PHE A 77 -5.904 -14.085 -7.518 1.00 52.41 H new ATOM 0 HE1 PHE A 77 -4.974 -18.899 -7.137 1.00 71.10 H new ATOM 0 HE2 PHE A 77 -3.703 -14.850 -6.756 1.00 53.21 H new ATOM 0 HZ PHE A 77 -3.230 -17.258 -6.564 1.00 63.12 H new ATOM 1253 N GLU A 78 -8.700 -14.711 -4.922 1.00 4.22 N ATOM 1254 CA GLU A 78 -8.638 -13.668 -3.890 1.00 21.22 C ATOM 1255 C GLU A 78 -7.217 -13.093 -3.749 1.00 20.12 C ATOM 1256 O GLU A 78 -6.294 -13.777 -3.294 1.00 75.52 O ATOM 1257 CB GLU A 78 -9.108 -14.226 -2.536 1.00 72.43 C ATOM 1258 CG GLU A 78 -9.325 -13.154 -1.469 1.00 14.43 C ATOM 1259 CD GLU A 78 -9.573 -13.742 -0.086 1.00 11.34 C ATOM 1260 OE1 GLU A 78 -10.646 -14.342 0.133 1.00 61.14 O ATOM 1261 OE2 GLU A 78 -8.686 -13.628 0.780 1.00 41.24 O ATOM 0 H GLU A 78 -8.501 -15.652 -4.582 1.00 4.22 H new ATOM 0 HA GLU A 78 -9.302 -12.861 -4.201 1.00 21.22 H new ATOM 0 HB2 GLU A 78 -10.039 -14.773 -2.683 1.00 72.43 H new ATOM 0 HB3 GLU A 78 -8.371 -14.942 -2.173 1.00 72.43 H new ATOM 0 HG2 GLU A 78 -8.452 -12.503 -1.431 1.00 14.43 H new ATOM 0 HG3 GLU A 78 -10.174 -12.532 -1.752 1.00 14.43 H new ATOM 1268 N LEU A 79 -7.051 -11.836 -4.151 1.00 42.22 N ATOM 1269 CA LEU A 79 -5.777 -11.129 -4.002 1.00 21.10 C ATOM 1270 C LEU A 79 -5.770 -10.300 -2.707 1.00 41.24 C ATOM 1271 O LEU A 79 -6.390 -9.235 -2.640 1.00 54.42 O ATOM 1272 CB LEU A 79 -5.537 -10.220 -5.216 1.00 53.13 C ATOM 1273 CG LEU A 79 -5.553 -10.928 -6.583 1.00 1.31 C ATOM 1274 CD1 LEU A 79 -5.377 -9.925 -7.723 1.00 63.43 C ATOM 1275 CD2 LEU A 79 -4.474 -12.005 -6.640 1.00 44.15 C ATOM 0 H LEU A 79 -7.787 -11.280 -4.586 1.00 42.22 H new ATOM 0 HA LEU A 79 -4.974 -11.864 -3.945 1.00 21.10 H new ATOM 0 HB2 LEU A 79 -6.298 -9.440 -5.221 1.00 53.13 H new ATOM 0 HB3 LEU A 79 -4.574 -9.725 -5.093 1.00 53.13 H new ATOM 0 HG LEU A 79 -6.525 -11.406 -6.705 1.00 1.31 H new ATOM 0 HD11 LEU A 79 -5.392 -10.452 -8.677 1.00 63.43 H new ATOM 0 HD12 LEU A 79 -6.189 -9.198 -7.697 1.00 63.43 H new ATOM 0 HD13 LEU A 79 -4.424 -9.408 -7.609 1.00 63.43 H new ATOM 0 HD21 LEU A 79 -4.500 -12.495 -7.613 1.00 44.15 H new ATOM 0 HD22 LEU A 79 -3.496 -11.548 -6.490 1.00 44.15 H new ATOM 0 HD23 LEU A 79 -4.654 -12.742 -5.858 1.00 44.15 H new ATOM 1287 N VAL A 80 -5.086 -10.797 -1.679 1.00 61.05 N ATOM 1288 CA VAL A 80 -5.065 -10.133 -0.371 1.00 72.34 C ATOM 1289 C VAL A 80 -3.692 -9.503 -0.056 1.00 20.31 C ATOM 1290 O VAL A 80 -2.639 -10.117 -0.259 1.00 14.02 O ATOM 1291 CB VAL A 80 -5.478 -11.113 0.763 1.00 31.43 C ATOM 1292 CG1 VAL A 80 -4.541 -12.315 0.825 1.00 25.12 C ATOM 1293 CG2 VAL A 80 -5.540 -10.393 2.113 1.00 40.35 C ATOM 0 H VAL A 80 -4.538 -11.656 -1.723 1.00 61.05 H new ATOM 0 HA VAL A 80 -5.795 -9.325 -0.421 1.00 72.34 H new ATOM 0 HB VAL A 80 -6.477 -11.485 0.534 1.00 31.43 H new ATOM 0 HG11 VAL A 80 -4.856 -12.981 1.628 1.00 25.12 H new ATOM 0 HG12 VAL A 80 -4.572 -12.850 -0.124 1.00 25.12 H new ATOM 0 HG13 VAL A 80 -3.523 -11.974 1.015 1.00 25.12 H new ATOM 0 HG21 VAL A 80 -5.831 -11.100 2.890 1.00 40.35 H new ATOM 0 HG22 VAL A 80 -4.560 -9.978 2.349 1.00 40.35 H new ATOM 0 HG23 VAL A 80 -6.273 -9.588 2.063 1.00 40.35 H new ATOM 1303 N TYR A 81 -3.722 -8.268 0.439 1.00 11.44 N ATOM 1304 CA TYR A 81 -2.505 -7.508 0.745 1.00 35.34 C ATOM 1305 C TYR A 81 -2.611 -6.850 2.134 1.00 4.33 C ATOM 1306 O TYR A 81 -3.465 -5.991 2.362 1.00 25.41 O ATOM 1307 CB TYR A 81 -2.287 -6.450 -0.352 1.00 22.12 C ATOM 1308 CG TYR A 81 -0.980 -5.680 -0.256 1.00 24.54 C ATOM 1309 CD1 TYR A 81 0.241 -6.341 -0.154 1.00 1.35 C ATOM 1310 CD2 TYR A 81 -0.970 -4.289 -0.274 1.00 31.43 C ATOM 1311 CE1 TYR A 81 1.429 -5.639 -0.075 1.00 60.45 C ATOM 1312 CE2 TYR A 81 0.214 -3.582 -0.197 1.00 13.54 C ATOM 1313 CZ TYR A 81 1.409 -4.258 -0.094 1.00 53.51 C ATOM 1314 OH TYR A 81 2.590 -3.550 -0.013 1.00 60.01 O ATOM 0 H TYR A 81 -4.586 -7.764 0.640 1.00 11.44 H new ATOM 0 HA TYR A 81 -1.649 -8.182 0.767 1.00 35.34 H new ATOM 0 HB2 TYR A 81 -2.330 -6.943 -1.323 1.00 22.12 H new ATOM 0 HB3 TYR A 81 -3.113 -5.739 -0.318 1.00 22.12 H new ATOM 0 HD1 TYR A 81 0.260 -7.421 -0.136 1.00 1.35 H new ATOM 0 HD2 TYR A 81 -1.904 -3.753 -0.349 1.00 31.43 H new ATOM 0 HE1 TYR A 81 2.368 -6.167 0.001 1.00 60.45 H new ATOM 0 HE2 TYR A 81 0.202 -2.502 -0.218 1.00 13.54 H new ATOM 0 HH TYR A 81 3.314 -4.075 -0.413 1.00 60.01 H new ATOM 1324 N ARG A 82 -1.751 -7.274 3.061 1.00 32.13 N ATOM 1325 CA ARG A 82 -1.791 -6.794 4.451 1.00 73.15 C ATOM 1326 C ARG A 82 -0.605 -5.859 4.760 1.00 2.14 C ATOM 1327 O ARG A 82 0.543 -6.298 4.818 1.00 60.22 O ATOM 1328 CB ARG A 82 -1.760 -7.993 5.417 1.00 71.22 C ATOM 1329 CG ARG A 82 -2.814 -9.062 5.126 1.00 51.02 C ATOM 1330 CD ARG A 82 -4.235 -8.562 5.368 1.00 42.13 C ATOM 1331 NE ARG A 82 -4.481 -8.226 6.774 1.00 11.21 N ATOM 1332 CZ ARG A 82 -5.543 -8.590 7.443 1.00 35.13 C ATOM 1333 NH1 ARG A 82 -6.444 -9.341 6.895 1.00 50.44 N ATOM 1334 NH2 ARG A 82 -5.698 -8.211 8.670 1.00 51.35 N ATOM 0 H ARG A 82 -1.012 -7.953 2.877 1.00 32.13 H new ATOM 0 HA ARG A 82 -2.715 -6.230 4.584 1.00 73.15 H new ATOM 0 HB2 ARG A 82 -0.772 -8.452 5.376 1.00 71.22 H new ATOM 0 HB3 ARG A 82 -1.900 -7.629 6.435 1.00 71.22 H new ATOM 0 HG2 ARG A 82 -2.719 -9.389 4.091 1.00 51.02 H new ATOM 0 HG3 ARG A 82 -2.627 -9.933 5.754 1.00 51.02 H new ATOM 0 HD2 ARG A 82 -4.417 -7.682 4.751 1.00 42.13 H new ATOM 0 HD3 ARG A 82 -4.944 -9.326 5.051 1.00 42.13 H new ATOM 0 HE ARG A 82 -3.777 -7.672 7.262 1.00 11.21 H new ATOM 0 HH11 ARG A 82 -6.329 -9.655 5.931 1.00 50.44 H new ATOM 0 HH12 ARG A 82 -7.269 -9.619 7.427 1.00 50.44 H new ATOM 0 HH21 ARG A 82 -4.991 -7.627 9.117 1.00 51.35 H new ATOM 0 HH22 ARG A 82 -6.527 -8.496 9.191 1.00 51.35 H new ATOM 1348 N VAL A 83 -0.884 -4.572 4.960 1.00 42.43 N ATOM 1349 CA VAL A 83 0.161 -3.592 5.296 1.00 53.34 C ATOM 1350 C VAL A 83 0.153 -3.249 6.796 1.00 52.20 C ATOM 1351 O VAL A 83 -0.863 -2.818 7.332 1.00 73.20 O ATOM 1352 CB VAL A 83 -0.021 -2.280 4.488 1.00 25.13 C ATOM 1353 CG1 VAL A 83 1.114 -1.294 4.774 1.00 44.14 C ATOM 1354 CG2 VAL A 83 -0.129 -2.575 2.994 1.00 70.01 C ATOM 0 H VAL A 83 -1.823 -4.179 4.896 1.00 42.43 H new ATOM 0 HA VAL A 83 1.114 -4.053 5.038 1.00 53.34 H new ATOM 0 HB VAL A 83 -0.953 -1.814 4.808 1.00 25.13 H new ATOM 0 HG11 VAL A 83 0.960 -0.384 4.194 1.00 44.14 H new ATOM 0 HG12 VAL A 83 1.125 -1.050 5.836 1.00 44.14 H new ATOM 0 HG13 VAL A 83 2.066 -1.745 4.496 1.00 44.14 H new ATOM 0 HG21 VAL A 83 -0.256 -1.641 2.447 1.00 70.01 H new ATOM 0 HG22 VAL A 83 0.779 -3.073 2.655 1.00 70.01 H new ATOM 0 HG23 VAL A 83 -0.987 -3.222 2.812 1.00 70.01 H new ATOM 1364 N ALA A 84 1.290 -3.437 7.467 1.00 35.54 N ATOM 1365 CA ALA A 84 1.422 -3.083 8.889 1.00 32.21 C ATOM 1366 C ALA A 84 2.426 -1.936 9.087 1.00 44.13 C ATOM 1367 O ALA A 84 3.584 -2.034 8.666 1.00 71.13 O ATOM 1368 CB ALA A 84 1.845 -4.304 9.697 1.00 74.11 C ATOM 0 H ALA A 84 2.135 -3.832 7.053 1.00 35.54 H new ATOM 0 HA ALA A 84 0.450 -2.741 9.244 1.00 32.21 H new ATOM 0 HB1 ALA A 84 1.940 -4.030 10.748 1.00 74.11 H new ATOM 0 HB2 ALA A 84 1.094 -5.087 9.592 1.00 74.11 H new ATOM 0 HB3 ALA A 84 2.804 -4.669 9.330 1.00 74.11 H new ATOM 1374 N ALA A 85 1.988 -0.855 9.737 1.00 35.02 N ATOM 1375 CA ALA A 85 2.831 0.335 9.912 1.00 45.35 C ATOM 1376 C ALA A 85 2.505 1.110 11.203 1.00 13.44 C ATOM 1377 O ALA A 85 1.593 0.756 11.952 1.00 65.33 O ATOM 1378 CB ALA A 85 2.688 1.249 8.698 1.00 51.24 C ATOM 0 H ALA A 85 1.059 -0.777 10.150 1.00 35.02 H new ATOM 0 HA ALA A 85 3.862 -0.007 10.002 1.00 45.35 H new ATOM 0 HB1 ALA A 85 3.315 2.131 8.831 1.00 51.24 H new ATOM 0 HB2 ALA A 85 3.000 0.714 7.801 1.00 51.24 H new ATOM 0 HB3 ALA A 85 1.647 1.556 8.594 1.00 51.24 H new ATOM 1384 N ARG A 86 3.290 2.161 11.457 1.00 20.14 N ATOM 1385 CA ARG A 86 3.085 3.064 12.604 1.00 2.35 C ATOM 1386 C ARG A 86 3.469 4.504 12.227 1.00 35.24 C ATOM 1387 O ARG A 86 4.247 4.725 11.294 1.00 45.15 O ATOM 1388 CB ARG A 86 3.925 2.620 13.814 1.00 73.30 C ATOM 1389 CG ARG A 86 3.625 1.211 14.311 1.00 42.44 C ATOM 1390 CD ARG A 86 4.452 0.857 15.542 1.00 74.32 C ATOM 1391 NE ARG A 86 4.262 -0.535 15.939 1.00 51.22 N ATOM 1392 CZ ARG A 86 4.631 -1.033 17.086 1.00 64.15 C ATOM 1393 NH1 ARG A 86 5.162 -0.285 18.002 1.00 5.04 N ATOM 1394 NH2 ARG A 86 4.458 -2.290 17.322 1.00 13.41 N ATOM 0 H ARG A 86 4.088 2.414 10.875 1.00 20.14 H new ATOM 0 HA ARG A 86 2.029 3.024 12.871 1.00 2.35 H new ATOM 0 HB2 ARG A 86 4.981 2.681 13.549 1.00 73.30 H new ATOM 0 HB3 ARG A 86 3.761 3.322 14.631 1.00 73.30 H new ATOM 0 HG2 ARG A 86 2.565 1.128 14.549 1.00 42.44 H new ATOM 0 HG3 ARG A 86 3.831 0.494 13.516 1.00 42.44 H new ATOM 0 HD2 ARG A 86 5.507 1.035 15.335 1.00 74.32 H new ATOM 0 HD3 ARG A 86 4.174 1.512 16.368 1.00 74.32 H new ATOM 0 HE ARG A 86 3.809 -1.161 15.273 1.00 51.22 H new ATOM 0 HH11 ARG A 86 5.297 0.711 17.832 1.00 5.04 H new ATOM 0 HH12 ARG A 86 5.444 -0.693 18.893 1.00 5.04 H new ATOM 0 HH21 ARG A 86 4.034 -2.888 16.613 1.00 13.41 H new ATOM 0 HH22 ARG A 86 4.745 -2.685 18.218 1.00 13.41 H new ATOM 1408 N LEU A 87 2.937 5.485 12.954 1.00 70.01 N ATOM 1409 CA LEU A 87 3.255 6.894 12.693 1.00 35.45 C ATOM 1410 C LEU A 87 3.964 7.524 13.902 1.00 14.00 C ATOM 1411 O LEU A 87 3.349 7.771 14.945 1.00 43.53 O ATOM 1412 CB LEU A 87 1.984 7.684 12.350 1.00 23.15 C ATOM 1413 CG LEU A 87 2.228 9.044 11.678 1.00 43.14 C ATOM 1414 CD1 LEU A 87 2.917 8.850 10.328 1.00 34.40 C ATOM 1415 CD2 LEU A 87 0.920 9.817 11.513 1.00 53.44 C ATOM 0 H LEU A 87 2.287 5.335 13.725 1.00 70.01 H new ATOM 0 HA LEU A 87 3.928 6.935 11.837 1.00 35.45 H new ATOM 0 HB2 LEU A 87 1.363 7.076 11.692 1.00 23.15 H new ATOM 0 HB3 LEU A 87 1.416 7.845 13.266 1.00 23.15 H new ATOM 0 HG LEU A 87 2.883 9.632 12.321 1.00 43.14 H new ATOM 0 HD11 LEU A 87 3.084 9.821 9.862 1.00 34.40 H new ATOM 0 HD12 LEU A 87 3.874 8.349 10.476 1.00 34.40 H new ATOM 0 HD13 LEU A 87 2.285 8.241 9.681 1.00 34.40 H new ATOM 0 HD21 LEU A 87 1.122 10.776 11.035 1.00 53.44 H new ATOM 0 HD22 LEU A 87 0.232 9.241 10.894 1.00 53.44 H new ATOM 0 HD23 LEU A 87 0.472 9.987 12.492 1.00 53.44 H new ATOM 1427 N LEU A 88 5.265 7.774 13.763 1.00 31.34 N ATOM 1428 CA LEU A 88 6.085 8.250 14.880 1.00 64.54 C ATOM 1429 C LEU A 88 6.485 9.724 14.731 1.00 43.43 C ATOM 1430 O LEU A 88 6.242 10.359 13.708 1.00 62.24 O ATOM 1431 CB LEU A 88 7.364 7.397 15.017 1.00 12.01 C ATOM 1432 CG LEU A 88 7.149 5.902 15.334 1.00 11.21 C ATOM 1433 CD1 LEU A 88 6.648 5.139 14.115 1.00 62.14 C ATOM 1434 CD2 LEU A 88 8.432 5.274 15.871 1.00 64.24 C ATOM 0 H LEU A 88 5.776 7.655 12.888 1.00 31.34 H new ATOM 0 HA LEU A 88 5.470 8.154 15.775 1.00 64.54 H new ATOM 0 HB2 LEU A 88 7.929 7.473 14.088 1.00 12.01 H new ATOM 0 HB3 LEU A 88 7.983 7.829 15.803 1.00 12.01 H new ATOM 0 HG LEU A 88 6.381 5.836 16.105 1.00 11.21 H new ATOM 0 HD11 LEU A 88 6.508 4.090 14.375 1.00 62.14 H new ATOM 0 HD12 LEU A 88 5.699 5.561 13.786 1.00 62.14 H new ATOM 0 HD13 LEU A 88 7.379 5.219 13.310 1.00 62.14 H new ATOM 0 HD21 LEU A 88 8.258 4.220 16.088 1.00 64.24 H new ATOM 0 HD22 LEU A 88 9.222 5.365 15.125 1.00 64.24 H new ATOM 0 HD23 LEU A 88 8.734 5.787 16.784 1.00 64.24 H new ATOM 1446 N ASP A 89 7.087 10.253 15.789 1.00 43.11 N ATOM 1447 CA ASP A 89 7.705 11.580 15.774 1.00 40.53 C ATOM 1448 C ASP A 89 9.151 11.489 15.258 1.00 24.42 C ATOM 1449 O ASP A 89 9.747 10.408 15.256 1.00 61.21 O ATOM 1450 CB ASP A 89 7.670 12.165 17.196 1.00 65.32 C ATOM 1451 CG ASP A 89 8.562 13.385 17.365 1.00 22.42 C ATOM 1452 OD1 ASP A 89 8.233 14.453 16.819 1.00 74.44 O ATOM 1453 OD2 ASP A 89 9.603 13.273 18.045 1.00 14.42 O ATOM 0 H ASP A 89 7.162 9.775 16.687 1.00 43.11 H new ATOM 0 HA ASP A 89 7.150 12.236 15.103 1.00 40.53 H new ATOM 0 HB2 ASP A 89 6.644 12.436 17.445 1.00 65.32 H new ATOM 0 HB3 ASP A 89 7.978 11.397 17.905 1.00 65.32 H new ATOM 1458 N ALA A 90 9.714 12.624 14.838 1.00 31.00 N ATOM 1459 CA ALA A 90 11.099 12.684 14.342 1.00 21.01 C ATOM 1460 C ALA A 90 12.105 12.007 15.297 1.00 4.01 C ATOM 1461 O ALA A 90 13.182 11.585 14.877 1.00 3.24 O ATOM 1462 CB ALA A 90 11.501 14.134 14.103 1.00 3.32 C ATOM 0 H ALA A 90 9.231 13.523 14.830 1.00 31.00 H new ATOM 0 HA ALA A 90 11.128 12.129 13.404 1.00 21.01 H new ATOM 0 HB1 ALA A 90 12.527 14.171 13.736 1.00 3.32 H new ATOM 0 HB2 ALA A 90 10.835 14.579 13.364 1.00 3.32 H new ATOM 0 HB3 ALA A 90 11.429 14.690 15.038 1.00 3.32 H new ATOM 1468 N HIS A 91 11.752 11.913 16.580 1.00 10.30 N ATOM 1469 CA HIS A 91 12.613 11.275 17.588 1.00 53.43 C ATOM 1470 C HIS A 91 12.177 9.829 17.890 1.00 1.14 C ATOM 1471 O HIS A 91 12.430 9.305 18.975 1.00 75.15 O ATOM 1472 CB HIS A 91 12.604 12.115 18.868 1.00 21.42 C ATOM 1473 CG HIS A 91 13.143 13.495 18.661 1.00 21.24 C ATOM 1474 ND1 HIS A 91 14.465 13.818 18.855 1.00 72.41 N ATOM 1475 CD2 HIS A 91 12.539 14.636 18.250 1.00 21.30 C ATOM 1476 CE1 HIS A 91 14.652 15.089 18.579 1.00 34.12 C ATOM 1477 NE2 HIS A 91 13.505 15.610 18.207 1.00 2.15 N ATOM 0 H HIS A 91 10.872 12.271 16.951 1.00 10.30 H new ATOM 0 HA HIS A 91 13.625 11.225 17.186 1.00 53.43 H new ATOM 0 HB2 HIS A 91 11.584 12.182 19.246 1.00 21.42 H new ATOM 0 HB3 HIS A 91 13.195 11.610 19.632 1.00 21.42 H new ATOM 0 HD2 HIS A 91 11.495 14.756 18.003 1.00 21.30 H new ATOM 0 HE1 HIS A 91 15.592 15.617 18.647 1.00 34.12 H new ATOM 0 HE2 HIS A 91 13.356 16.581 17.931 1.00 2.15 H new ATOM 1486 N ASN A 92 11.519 9.193 16.917 1.00 12.42 N ATOM 1487 CA ASN A 92 11.119 7.775 17.012 1.00 63.05 C ATOM 1488 C ASN A 92 10.077 7.519 18.120 1.00 53.20 C ATOM 1489 O ASN A 92 9.915 6.387 18.584 1.00 34.13 O ATOM 1490 CB ASN A 92 12.349 6.883 17.234 1.00 51.44 C ATOM 1491 CG ASN A 92 13.393 7.026 16.137 1.00 2.42 C ATOM 1492 OD1 ASN A 92 12.955 7.239 14.911 1.00 0.05 O flip ATOM 1493 ND2 ASN A 92 14.587 6.932 16.386 1.00 1.31 N flip ATOM 0 H ASN A 92 11.246 9.639 16.041 1.00 12.42 H new ATOM 0 HA ASN A 92 10.648 7.521 16.063 1.00 63.05 H new ATOM 0 HB2 ASN A 92 12.802 7.131 18.194 1.00 51.44 H new ATOM 0 HB3 ASN A 92 12.030 5.842 17.291 1.00 51.44 H new ATOM 0 HD21 ASN A 92 14.897 6.767 17.344 1.00 1.31 H new ATOM 0 HD22 ASN A 92 15.273 7.019 15.636 1.00 1.31 H new ATOM 1500 N ALA A 93 9.362 8.562 18.530 1.00 3.51 N ATOM 1501 CA ALA A 93 8.276 8.413 19.506 1.00 64.51 C ATOM 1502 C ALA A 93 6.960 8.056 18.801 1.00 44.55 C ATOM 1503 O ALA A 93 6.394 8.874 18.078 1.00 0.11 O ATOM 1504 CB ALA A 93 8.123 9.692 20.324 1.00 40.52 C ATOM 0 H ALA A 93 9.510 9.518 18.206 1.00 3.51 H new ATOM 0 HA ALA A 93 8.527 7.598 20.184 1.00 64.51 H new ATOM 0 HB1 ALA A 93 7.314 9.569 21.044 1.00 40.52 H new ATOM 0 HB2 ALA A 93 9.053 9.898 20.854 1.00 40.52 H new ATOM 0 HB3 ALA A 93 7.892 10.524 19.659 1.00 40.52 H new ATOM 1510 N GLU A 94 6.489 6.827 18.988 1.00 53.43 N ATOM 1511 CA GLU A 94 5.253 6.369 18.337 1.00 43.52 C ATOM 1512 C GLU A 94 3.998 7.023 18.946 1.00 62.01 C ATOM 1513 O GLU A 94 3.417 6.529 19.917 1.00 2.42 O ATOM 1514 CB GLU A 94 5.160 4.829 18.365 1.00 70.31 C ATOM 1515 CG GLU A 94 5.505 4.196 19.712 1.00 12.51 C ATOM 1516 CD GLU A 94 5.532 2.674 19.658 1.00 4.31 C ATOM 1517 OE1 GLU A 94 6.223 2.116 18.777 1.00 41.31 O ATOM 1518 OE2 GLU A 94 4.861 2.027 20.490 1.00 24.34 O ATOM 0 H GLU A 94 6.937 6.129 19.581 1.00 53.43 H new ATOM 0 HA GLU A 94 5.294 6.688 17.295 1.00 43.52 H new ATOM 0 HB2 GLU A 94 4.148 4.534 18.088 1.00 70.31 H new ATOM 0 HB3 GLU A 94 5.829 4.424 17.606 1.00 70.31 H new ATOM 0 HG2 GLU A 94 6.478 4.561 20.041 1.00 12.51 H new ATOM 0 HG3 GLU A 94 4.776 4.516 20.456 1.00 12.51 H new ATOM 1525 N LEU A 95 3.603 8.159 18.372 1.00 3.25 N ATOM 1526 CA LEU A 95 2.414 8.891 18.823 1.00 71.15 C ATOM 1527 C LEU A 95 1.115 8.272 18.278 1.00 3.14 C ATOM 1528 O LEU A 95 0.195 7.972 19.043 1.00 41.15 O ATOM 1529 CB LEU A 95 2.500 10.377 18.418 1.00 51.44 C ATOM 1530 CG LEU A 95 3.245 11.299 19.404 1.00 61.42 C ATOM 1531 CD1 LEU A 95 2.581 11.271 20.780 1.00 63.14 C ATOM 1532 CD2 LEU A 95 4.720 10.921 19.510 1.00 71.04 C ATOM 0 H LEU A 95 4.090 8.596 17.590 1.00 3.25 H new ATOM 0 HA LEU A 95 2.388 8.818 19.910 1.00 71.15 H new ATOM 0 HB2 LEU A 95 2.992 10.442 17.447 1.00 51.44 H new ATOM 0 HB3 LEU A 95 1.487 10.758 18.288 1.00 51.44 H new ATOM 0 HG LEU A 95 3.188 12.316 19.015 1.00 61.42 H new ATOM 0 HD11 LEU A 95 3.123 11.929 21.459 1.00 63.14 H new ATOM 0 HD12 LEU A 95 1.549 11.611 20.693 1.00 63.14 H new ATOM 0 HD13 LEU A 95 2.596 10.254 21.171 1.00 63.14 H new ATOM 0 HD21 LEU A 95 5.217 11.590 20.213 1.00 71.04 H new ATOM 0 HD22 LEU A 95 4.808 9.893 19.863 1.00 71.04 H new ATOM 0 HD23 LEU A 95 5.190 11.010 18.530 1.00 71.04 H new ATOM 1544 N ALA A 96 1.047 8.073 16.963 1.00 41.21 N ATOM 1545 CA ALA A 96 -0.180 7.587 16.318 1.00 0.33 C ATOM 1546 C ALA A 96 0.012 6.204 15.679 1.00 23.01 C ATOM 1547 O ALA A 96 0.857 6.019 14.801 1.00 40.12 O ATOM 1548 CB ALA A 96 -0.647 8.592 15.270 1.00 63.54 C ATOM 0 H ALA A 96 1.822 8.239 16.321 1.00 41.21 H new ATOM 0 HA ALA A 96 -0.941 7.483 17.091 1.00 0.33 H new ATOM 0 HB1 ALA A 96 -1.557 8.226 14.795 1.00 63.54 H new ATOM 0 HB2 ALA A 96 -0.848 9.550 15.749 1.00 63.54 H new ATOM 0 HB3 ALA A 96 0.130 8.719 14.516 1.00 63.54 H new ATOM 1554 N SER A 97 -0.783 5.231 16.115 1.00 3.42 N ATOM 1555 CA SER A 97 -0.742 3.886 15.525 1.00 2.32 C ATOM 1556 C SER A 97 -1.395 3.877 14.141 1.00 25.22 C ATOM 1557 O SER A 97 -2.620 3.827 14.020 1.00 20.21 O ATOM 1558 CB SER A 97 -1.442 2.860 16.428 1.00 31.21 C ATOM 1559 OG SER A 97 -1.486 1.575 15.814 1.00 51.34 O ATOM 0 H SER A 97 -1.461 5.342 16.869 1.00 3.42 H new ATOM 0 HA SER A 97 0.307 3.608 15.427 1.00 2.32 H new ATOM 0 HB2 SER A 97 -0.917 2.792 17.381 1.00 31.21 H new ATOM 0 HB3 SER A 97 -2.456 3.196 16.646 1.00 31.21 H new ATOM 0 HG SER A 97 -1.936 0.942 16.412 1.00 51.34 H new ATOM 1565 N LEU A 98 -0.573 3.961 13.097 1.00 11.12 N ATOM 1566 CA LEU A 98 -1.066 3.870 11.721 1.00 41.00 C ATOM 1567 C LEU A 98 -1.670 2.475 11.472 1.00 32.54 C ATOM 1568 O LEU A 98 -0.949 1.507 11.227 1.00 4.40 O ATOM 1569 CB LEU A 98 0.074 4.169 10.731 1.00 3.23 C ATOM 1570 CG LEU A 98 -0.335 4.266 9.251 1.00 64.24 C ATOM 1571 CD1 LEU A 98 -1.387 5.356 9.047 1.00 30.31 C ATOM 1572 CD2 LEU A 98 0.892 4.525 8.373 1.00 13.32 C ATOM 0 H LEU A 98 0.436 4.092 13.175 1.00 11.12 H new ATOM 0 HA LEU A 98 -1.849 4.612 11.567 1.00 41.00 H new ATOM 0 HB2 LEU A 98 0.545 5.108 11.021 1.00 3.23 H new ATOM 0 HB3 LEU A 98 0.830 3.390 10.830 1.00 3.23 H new ATOM 0 HG LEU A 98 -0.776 3.314 8.955 1.00 64.24 H new ATOM 0 HD11 LEU A 98 -1.660 5.405 7.993 1.00 30.31 H new ATOM 0 HD12 LEU A 98 -2.271 5.124 9.640 1.00 30.31 H new ATOM 0 HD13 LEU A 98 -0.981 6.317 9.362 1.00 30.31 H new ATOM 0 HD21 LEU A 98 0.585 4.591 7.329 1.00 13.32 H new ATOM 0 HD22 LEU A 98 1.363 5.461 8.673 1.00 13.32 H new ATOM 0 HD23 LEU A 98 1.603 3.707 8.491 1.00 13.32 H new ATOM 1584 N GLN A 99 -2.997 2.383 11.580 1.00 41.34 N ATOM 1585 CA GLN A 99 -3.710 1.099 11.515 1.00 34.43 C ATOM 1586 C GLN A 99 -3.340 0.267 10.276 1.00 41.13 C ATOM 1587 O GLN A 99 -3.114 0.803 9.186 1.00 54.11 O ATOM 1588 CB GLN A 99 -5.228 1.328 11.543 1.00 12.24 C ATOM 1589 CG GLN A 99 -5.756 2.136 10.360 1.00 62.21 C ATOM 1590 CD GLN A 99 -7.274 2.220 10.336 1.00 21.13 C ATOM 1591 OE1 GLN A 99 -7.872 3.127 10.903 1.00 74.31 O ATOM 1592 NE2 GLN A 99 -7.910 1.270 9.678 1.00 75.04 N ATOM 0 H GLN A 99 -3.607 3.189 11.714 1.00 41.34 H new ATOM 0 HA GLN A 99 -3.400 0.531 12.392 1.00 34.43 H new ATOM 0 HB2 GLN A 99 -5.731 0.361 11.563 1.00 12.24 H new ATOM 0 HB3 GLN A 99 -5.491 1.843 12.467 1.00 12.24 H new ATOM 0 HG2 GLN A 99 -5.341 3.143 10.400 1.00 62.21 H new ATOM 0 HG3 GLN A 99 -5.407 1.684 9.432 1.00 62.21 H new ATOM 0 HE21 GLN A 99 -7.383 0.529 9.216 1.00 75.04 H new ATOM 0 HE22 GLN A 99 -8.929 1.277 9.631 1.00 75.04 H new ATOM 1601 N GLU A 100 -3.289 -1.053 10.465 1.00 60.13 N ATOM 1602 CA GLU A 100 -2.982 -1.993 9.382 1.00 53.43 C ATOM 1603 C GLU A 100 -3.992 -1.891 8.222 1.00 53.40 C ATOM 1604 O GLU A 100 -5.205 -1.797 8.435 1.00 70.52 O ATOM 1605 CB GLU A 100 -2.956 -3.430 9.926 1.00 45.30 C ATOM 1606 CG GLU A 100 -4.242 -3.844 10.638 1.00 21.13 C ATOM 1607 CD GLU A 100 -4.249 -5.309 11.038 1.00 3.31 C ATOM 1608 OE1 GLU A 100 -3.685 -5.646 12.095 1.00 23.33 O ATOM 1609 OE2 GLU A 100 -4.826 -6.133 10.293 1.00 24.01 O ATOM 0 H GLU A 100 -3.458 -1.500 11.366 1.00 60.13 H new ATOM 0 HA GLU A 100 -2.000 -1.729 8.988 1.00 53.43 H new ATOM 0 HB2 GLU A 100 -2.772 -4.118 9.101 1.00 45.30 H new ATOM 0 HB3 GLU A 100 -2.120 -3.531 10.618 1.00 45.30 H new ATOM 0 HG2 GLU A 100 -4.373 -3.229 11.528 1.00 21.13 H new ATOM 0 HG3 GLU A 100 -5.093 -3.646 9.986 1.00 21.13 H new ATOM 1616 N ILE A 101 -3.484 -1.921 6.996 1.00 53.44 N ATOM 1617 CA ILE A 101 -4.322 -1.828 5.800 1.00 41.25 C ATOM 1618 C ILE A 101 -4.559 -3.215 5.182 1.00 62.24 C ATOM 1619 O ILE A 101 -3.634 -3.848 4.673 1.00 63.30 O ATOM 1620 CB ILE A 101 -3.672 -0.899 4.746 1.00 50.35 C ATOM 1621 CG1 ILE A 101 -3.381 0.480 5.364 1.00 53.10 C ATOM 1622 CG2 ILE A 101 -4.565 -0.765 3.510 1.00 42.41 C ATOM 1623 CD1 ILE A 101 -2.635 1.419 4.439 1.00 50.02 C ATOM 0 H ILE A 101 -2.487 -2.010 6.800 1.00 53.44 H new ATOM 0 HA ILE A 101 -5.281 -1.409 6.104 1.00 41.25 H new ATOM 0 HB ILE A 101 -2.729 -1.343 4.428 1.00 50.35 H new ATOM 0 HG12 ILE A 101 -4.324 0.944 5.654 1.00 53.10 H new ATOM 0 HG13 ILE A 101 -2.799 0.344 6.275 1.00 53.10 H new ATOM 0 HG21 ILE A 101 -4.086 -0.107 2.785 1.00 42.41 H new ATOM 0 HG22 ILE A 101 -4.718 -1.747 3.063 1.00 42.41 H new ATOM 0 HG23 ILE A 101 -5.528 -0.345 3.801 1.00 42.41 H new ATOM 0 HD11 ILE A 101 -2.467 2.370 4.944 1.00 50.02 H new ATOM 0 HD12 ILE A 101 -1.676 0.977 4.168 1.00 50.02 H new ATOM 0 HD13 ILE A 101 -3.225 1.587 3.538 1.00 50.02 H new ATOM 1635 N ARG A 102 -5.801 -3.684 5.245 1.00 21.33 N ATOM 1636 CA ARG A 102 -6.173 -4.988 4.681 1.00 60.42 C ATOM 1637 C ARG A 102 -6.958 -4.830 3.364 1.00 14.23 C ATOM 1638 O ARG A 102 -8.133 -4.460 3.365 1.00 13.22 O ATOM 1639 CB ARG A 102 -6.989 -5.801 5.707 1.00 32.44 C ATOM 1640 CG ARG A 102 -8.090 -5.006 6.409 1.00 72.20 C ATOM 1641 CD ARG A 102 -8.909 -5.875 7.364 1.00 65.12 C ATOM 1642 NE ARG A 102 -9.788 -6.806 6.654 1.00 35.25 N ATOM 1643 CZ ARG A 102 -10.545 -7.698 7.237 1.00 5.33 C ATOM 1644 NH1 ARG A 102 -10.503 -7.875 8.519 1.00 11.30 N ATOM 1645 NH2 ARG A 102 -11.350 -8.417 6.527 1.00 23.10 N ATOM 0 H ARG A 102 -6.574 -3.182 5.682 1.00 21.33 H new ATOM 0 HA ARG A 102 -5.255 -5.530 4.453 1.00 60.42 H new ATOM 0 HB2 ARG A 102 -7.440 -6.654 5.200 1.00 32.44 H new ATOM 0 HB3 ARG A 102 -6.309 -6.200 6.460 1.00 32.44 H new ATOM 0 HG2 ARG A 102 -7.643 -4.181 6.964 1.00 72.20 H new ATOM 0 HG3 ARG A 102 -8.751 -4.567 5.662 1.00 72.20 H new ATOM 0 HD2 ARG A 102 -8.234 -6.437 8.009 1.00 65.12 H new ATOM 0 HD3 ARG A 102 -9.509 -5.234 8.011 1.00 65.12 H new ATOM 0 HE ARG A 102 -9.811 -6.755 5.636 1.00 35.25 H new ATOM 0 HH11 ARG A 102 -9.872 -7.314 9.091 1.00 11.30 H new ATOM 0 HH12 ARG A 102 -11.101 -8.576 8.957 1.00 11.30 H new ATOM 0 HH21 ARG A 102 -11.393 -8.287 5.516 1.00 23.10 H new ATOM 0 HH22 ARG A 102 -11.943 -9.114 6.977 1.00 23.10 H new ATOM 1659 N LEU A 103 -6.298 -5.111 2.240 1.00 50.11 N ATOM 1660 CA LEU A 103 -6.927 -4.994 0.916 1.00 11.52 C ATOM 1661 C LEU A 103 -7.210 -6.375 0.301 1.00 64.32 C ATOM 1662 O LEU A 103 -6.388 -7.286 0.392 1.00 55.10 O ATOM 1663 CB LEU A 103 -6.027 -4.185 -0.030 1.00 21.43 C ATOM 1664 CG LEU A 103 -5.736 -2.738 0.405 1.00 24.34 C ATOM 1665 CD1 LEU A 103 -4.821 -2.048 -0.604 1.00 5.33 C ATOM 1666 CD2 LEU A 103 -7.035 -1.953 0.580 1.00 53.51 C ATOM 0 H LEU A 103 -5.327 -5.422 2.216 1.00 50.11 H new ATOM 0 HA LEU A 103 -7.878 -4.477 1.048 1.00 11.52 H new ATOM 0 HB2 LEU A 103 -5.078 -4.711 -0.138 1.00 21.43 H new ATOM 0 HB3 LEU A 103 -6.493 -4.163 -1.015 1.00 21.43 H new ATOM 0 HG LEU A 103 -5.225 -2.767 1.367 1.00 24.34 H new ATOM 0 HD11 LEU A 103 -4.627 -1.026 -0.279 1.00 5.33 H new ATOM 0 HD12 LEU A 103 -3.879 -2.592 -0.673 1.00 5.33 H new ATOM 0 HD13 LEU A 103 -5.303 -2.033 -1.581 1.00 5.33 H new ATOM 0 HD21 LEU A 103 -6.805 -0.933 0.888 1.00 53.51 H new ATOM 0 HD22 LEU A 103 -7.578 -1.933 -0.365 1.00 53.51 H new ATOM 0 HD23 LEU A 103 -7.650 -2.432 1.342 1.00 53.51 H new ATOM 1678 N THR A 104 -8.382 -6.518 -0.317 1.00 13.12 N ATOM 1679 CA THR A 104 -8.756 -7.753 -1.027 1.00 73.20 C ATOM 1680 C THR A 104 -9.363 -7.432 -2.400 1.00 22.10 C ATOM 1681 O THR A 104 -10.314 -6.655 -2.498 1.00 30.44 O ATOM 1682 CB THR A 104 -9.776 -8.602 -0.224 1.00 13.53 C ATOM 1683 OG1 THR A 104 -10.943 -7.820 0.086 1.00 71.42 O ATOM 1684 CG2 THR A 104 -9.164 -9.137 1.068 1.00 2.44 C ATOM 0 H THR A 104 -9.097 -5.791 -0.343 1.00 13.12 H new ATOM 0 HA THR A 104 -7.838 -8.328 -1.148 1.00 73.20 H new ATOM 0 HB THR A 104 -10.059 -9.450 -0.847 1.00 13.53 H new ATOM 0 HG1 THR A 104 -11.072 -7.137 -0.605 1.00 71.42 H new ATOM 0 HG21 THR A 104 -9.906 -9.727 1.605 1.00 2.44 H new ATOM 0 HG22 THR A 104 -8.304 -9.764 0.831 1.00 2.44 H new ATOM 0 HG23 THR A 104 -8.843 -8.302 1.692 1.00 2.44 H new ATOM 1692 N ARG A 105 -8.809 -8.028 -3.454 1.00 51.42 N ATOM 1693 CA ARG A 105 -9.283 -7.798 -4.826 1.00 1.11 C ATOM 1694 C ARG A 105 -9.633 -9.133 -5.509 1.00 60.24 C ATOM 1695 O ARG A 105 -8.805 -10.042 -5.565 1.00 45.34 O ATOM 1696 CB ARG A 105 -8.193 -7.070 -5.628 1.00 61.24 C ATOM 1697 CG ARG A 105 -8.659 -6.483 -6.957 1.00 1.15 C ATOM 1698 CD ARG A 105 -9.601 -5.296 -6.756 1.00 53.40 C ATOM 1699 NE ARG A 105 -9.042 -4.299 -5.837 1.00 51.23 N ATOM 1700 CZ ARG A 105 -8.847 -3.037 -6.129 1.00 70.30 C ATOM 1701 NH1 ARG A 105 -9.153 -2.570 -7.296 1.00 63.03 N ATOM 1702 NH2 ARG A 105 -8.357 -2.239 -5.237 1.00 44.35 N ATOM 0 H ARG A 105 -8.026 -8.679 -3.388 1.00 51.42 H new ATOM 0 HA ARG A 105 -10.183 -7.183 -4.790 1.00 1.11 H new ATOM 0 HB2 ARG A 105 -7.787 -6.266 -5.015 1.00 61.24 H new ATOM 0 HB3 ARG A 105 -7.377 -7.767 -5.821 1.00 61.24 H new ATOM 0 HG2 ARG A 105 -7.793 -6.165 -7.537 1.00 1.15 H new ATOM 0 HG3 ARG A 105 -9.165 -7.254 -7.537 1.00 1.15 H new ATOM 0 HD2 ARG A 105 -9.804 -4.827 -7.719 1.00 53.40 H new ATOM 0 HD3 ARG A 105 -10.555 -5.652 -6.367 1.00 53.40 H new ATOM 0 HE ARG A 105 -8.786 -4.612 -4.900 1.00 51.23 H new ATOM 0 HH11 ARG A 105 -9.552 -3.187 -8.004 1.00 63.03 H new ATOM 0 HH12 ARG A 105 -8.995 -1.585 -7.509 1.00 63.03 H new ATOM 0 HH21 ARG A 105 -8.124 -2.593 -4.309 1.00 44.35 H new ATOM 0 HH22 ARG A 105 -8.204 -1.256 -5.461 1.00 44.35 H new ATOM 1716 N ILE A 106 -10.858 -9.253 -6.020 1.00 21.23 N ATOM 1717 CA ILE A 106 -11.297 -10.493 -6.675 1.00 54.22 C ATOM 1718 C ILE A 106 -10.907 -10.522 -8.165 1.00 62.22 C ATOM 1719 O ILE A 106 -11.394 -9.723 -8.974 1.00 11.11 O ATOM 1720 CB ILE A 106 -12.836 -10.717 -6.525 1.00 41.01 C ATOM 1721 CG1 ILE A 106 -13.199 -11.176 -5.095 1.00 43.33 C ATOM 1722 CG2 ILE A 106 -13.347 -11.734 -7.550 1.00 14.51 C ATOM 1723 CD1 ILE A 106 -12.810 -10.205 -3.998 1.00 31.42 C ATOM 0 H ILE A 106 -11.562 -8.515 -5.996 1.00 21.23 H new ATOM 0 HA ILE A 106 -10.780 -11.307 -6.167 1.00 54.22 H new ATOM 0 HB ILE A 106 -13.323 -9.760 -6.713 1.00 41.01 H new ATOM 0 HG12 ILE A 106 -14.274 -11.347 -5.045 1.00 43.33 H new ATOM 0 HG13 ILE A 106 -12.715 -12.133 -4.902 1.00 43.33 H new ATOM 0 HG21 ILE A 106 -14.421 -11.871 -7.423 1.00 14.51 H new ATOM 0 HG22 ILE A 106 -13.144 -11.369 -8.557 1.00 14.51 H new ATOM 0 HG23 ILE A 106 -12.840 -12.687 -7.401 1.00 14.51 H new ATOM 0 HD11 ILE A 106 -13.104 -10.612 -3.031 1.00 31.42 H new ATOM 0 HD12 ILE A 106 -11.731 -10.051 -4.014 1.00 31.42 H new ATOM 0 HD13 ILE A 106 -13.315 -9.252 -4.159 1.00 31.42 H new ATOM 1735 N LEU A 107 -10.008 -11.442 -8.504 1.00 62.53 N ATOM 1736 CA LEU A 107 -9.610 -11.698 -9.890 1.00 4.05 C ATOM 1737 C LEU A 107 -10.590 -12.704 -10.533 1.00 34.52 C ATOM 1738 O LEU A 107 -10.645 -13.869 -10.129 1.00 43.53 O ATOM 1739 CB LEU A 107 -8.156 -12.232 -9.906 1.00 11.51 C ATOM 1740 CG LEU A 107 -7.479 -12.440 -11.284 1.00 34.34 C ATOM 1741 CD1 LEU A 107 -8.032 -13.669 -12.006 1.00 10.35 C ATOM 1742 CD2 LEU A 107 -7.619 -11.193 -12.157 1.00 43.34 C ATOM 0 H LEU A 107 -9.532 -12.035 -7.824 1.00 62.53 H new ATOM 0 HA LEU A 107 -9.646 -10.777 -10.473 1.00 4.05 H new ATOM 0 HB2 LEU A 107 -7.539 -11.542 -9.330 1.00 11.51 H new ATOM 0 HB3 LEU A 107 -8.144 -13.186 -9.379 1.00 11.51 H new ATOM 0 HG LEU A 107 -6.419 -12.614 -11.101 1.00 34.34 H new ATOM 0 HD11 LEU A 107 -7.532 -13.781 -12.968 1.00 10.35 H new ATOM 0 HD12 LEU A 107 -7.855 -14.557 -11.400 1.00 10.35 H new ATOM 0 HD13 LEU A 107 -9.103 -13.546 -12.166 1.00 10.35 H new ATOM 0 HD21 LEU A 107 -7.135 -11.366 -13.118 1.00 43.34 H new ATOM 0 HD22 LEU A 107 -8.675 -10.977 -12.316 1.00 43.34 H new ATOM 0 HD23 LEU A 107 -7.146 -10.346 -11.660 1.00 43.34 H new ATOM 1754 N PRO A 108 -11.386 -12.269 -11.532 1.00 74.24 N ATOM 1755 CA PRO A 108 -12.376 -13.139 -12.191 1.00 20.03 C ATOM 1756 C PRO A 108 -11.756 -14.094 -13.232 1.00 74.33 C ATOM 1757 O PRO A 108 -11.125 -13.659 -14.199 1.00 75.21 O ATOM 1758 CB PRO A 108 -13.308 -12.128 -12.873 1.00 11.14 C ATOM 1759 CG PRO A 108 -12.425 -10.968 -13.198 1.00 61.04 C ATOM 1760 CD PRO A 108 -11.402 -10.895 -12.087 1.00 1.41 C ATOM 0 HA PRO A 108 -12.869 -13.804 -11.482 1.00 20.03 H new ATOM 0 HB2 PRO A 108 -13.759 -12.548 -13.772 1.00 11.14 H new ATOM 0 HB3 PRO A 108 -14.125 -11.833 -12.214 1.00 11.14 H new ATOM 0 HG2 PRO A 108 -11.941 -11.106 -14.165 1.00 61.04 H new ATOM 0 HG3 PRO A 108 -13.001 -10.045 -13.258 1.00 61.04 H new ATOM 0 HD2 PRO A 108 -10.422 -10.604 -12.464 1.00 1.41 H new ATOM 0 HD3 PRO A 108 -11.683 -10.161 -11.331 1.00 1.41 H new ATOM 1768 N PHE A 109 -11.929 -15.400 -13.024 1.00 64.43 N ATOM 1769 CA PHE A 109 -11.481 -16.398 -14.002 1.00 23.31 C ATOM 1770 C PHE A 109 -12.576 -16.663 -15.045 1.00 21.11 C ATOM 1771 O PHE A 109 -13.597 -17.285 -14.747 1.00 53.00 O ATOM 1772 CB PHE A 109 -11.089 -17.709 -13.303 1.00 40.22 C ATOM 1773 CG PHE A 109 -10.573 -18.775 -14.247 1.00 51.53 C ATOM 1774 CD1 PHE A 109 -9.228 -18.832 -14.586 1.00 60.32 C ATOM 1775 CD2 PHE A 109 -11.434 -19.723 -14.791 1.00 61.03 C ATOM 1776 CE1 PHE A 109 -8.755 -19.806 -15.448 1.00 70.15 C ATOM 1777 CE2 PHE A 109 -10.965 -20.697 -15.652 1.00 51.13 C ATOM 1778 CZ PHE A 109 -9.624 -20.740 -15.979 1.00 61.04 C ATOM 0 H PHE A 109 -12.373 -15.792 -12.193 1.00 64.43 H new ATOM 0 HA PHE A 109 -10.603 -16.000 -14.511 1.00 23.31 H new ATOM 0 HB2 PHE A 109 -10.324 -17.497 -12.556 1.00 40.22 H new ATOM 0 HB3 PHE A 109 -11.956 -18.098 -12.769 1.00 40.22 H new ATOM 0 HD1 PHE A 109 -8.542 -18.107 -14.172 1.00 60.32 H new ATOM 0 HD2 PHE A 109 -12.483 -19.697 -14.537 1.00 61.03 H new ATOM 0 HE1 PHE A 109 -7.707 -19.836 -15.706 1.00 70.15 H new ATOM 0 HE2 PHE A 109 -11.647 -21.424 -16.069 1.00 51.13 H new ATOM 0 HZ PHE A 109 -9.255 -21.503 -16.649 1.00 61.04 H new ATOM 1788 N LEU A 110 -12.361 -16.176 -16.262 1.00 32.00 N ATOM 1789 CA LEU A 110 -13.314 -16.370 -17.357 1.00 43.54 C ATOM 1790 C LEU A 110 -12.805 -17.437 -18.338 1.00 55.01 C ATOM 1791 O LEU A 110 -11.811 -17.226 -19.035 1.00 41.12 O ATOM 1792 CB LEU A 110 -13.545 -15.042 -18.094 1.00 14.23 C ATOM 1793 CG LEU A 110 -14.066 -13.886 -17.220 1.00 25.11 C ATOM 1794 CD1 LEU A 110 -14.168 -12.596 -18.032 1.00 13.32 C ATOM 1795 CD2 LEU A 110 -15.418 -14.243 -16.603 1.00 22.13 C ATOM 0 H LEU A 110 -11.532 -15.641 -16.519 1.00 32.00 H new ATOM 0 HA LEU A 110 -14.259 -16.713 -16.936 1.00 43.54 H new ATOM 0 HB2 LEU A 110 -12.607 -14.733 -18.554 1.00 14.23 H new ATOM 0 HB3 LEU A 110 -14.256 -15.213 -18.903 1.00 14.23 H new ATOM 0 HG LEU A 110 -13.353 -13.723 -16.412 1.00 25.11 H new ATOM 0 HD11 LEU A 110 -14.538 -11.793 -17.394 1.00 13.32 H new ATOM 0 HD12 LEU A 110 -13.184 -12.329 -18.417 1.00 13.32 H new ATOM 0 HD13 LEU A 110 -14.855 -12.744 -18.865 1.00 13.32 H new ATOM 0 HD21 LEU A 110 -15.768 -13.413 -15.989 1.00 22.13 H new ATOM 0 HD22 LEU A 110 -16.140 -14.438 -17.396 1.00 22.13 H new ATOM 0 HD23 LEU A 110 -15.311 -15.133 -15.983 1.00 22.13 H new ATOM 1807 N ASP A 111 -13.492 -18.578 -18.386 1.00 2.43 N ATOM 1808 CA ASP A 111 -13.121 -19.680 -19.285 1.00 72.35 C ATOM 1809 C ASP A 111 -13.084 -19.239 -20.763 1.00 42.12 C ATOM 1810 O ASP A 111 -12.369 -19.826 -21.578 1.00 23.53 O ATOM 1811 CB ASP A 111 -14.107 -20.842 -19.114 1.00 61.01 C ATOM 1812 CG ASP A 111 -14.079 -21.427 -17.711 1.00 42.41 C ATOM 1813 OD1 ASP A 111 -14.632 -20.793 -16.787 1.00 34.40 O ATOM 1814 OD2 ASP A 111 -13.501 -22.521 -17.528 1.00 13.12 O ATOM 0 H ASP A 111 -14.313 -18.768 -17.811 1.00 2.43 H new ATOM 0 HA ASP A 111 -12.115 -20.001 -19.014 1.00 72.35 H new ATOM 0 HB2 ASP A 111 -15.115 -20.495 -19.339 1.00 61.01 H new ATOM 0 HB3 ASP A 111 -13.870 -21.624 -19.835 1.00 61.01 H new ATOM 1819 N ALA A 112 -13.852 -18.204 -21.100 1.00 73.32 N ATOM 1820 CA ALA A 112 -13.918 -17.695 -22.480 1.00 4.35 C ATOM 1821 C ALA A 112 -12.788 -16.696 -22.806 1.00 5.21 C ATOM 1822 O ALA A 112 -12.727 -16.163 -23.916 1.00 11.34 O ATOM 1823 CB ALA A 112 -15.277 -17.046 -22.723 1.00 45.35 C ATOM 0 H ALA A 112 -14.440 -17.697 -20.439 1.00 73.32 H new ATOM 0 HA ALA A 112 -13.785 -18.548 -23.145 1.00 4.35 H new ATOM 0 HB1 ALA A 112 -15.323 -16.670 -23.745 1.00 45.35 H new ATOM 0 HB2 ALA A 112 -16.065 -17.784 -22.572 1.00 45.35 H new ATOM 0 HB3 ALA A 112 -15.415 -16.220 -22.026 1.00 45.35 H new ATOM 1829 N GLN A 113 -11.895 -16.451 -21.848 1.00 34.03 N ATOM 1830 CA GLN A 113 -10.809 -15.468 -22.025 1.00 64.21 C ATOM 1831 C GLN A 113 -9.417 -16.091 -21.825 1.00 0.23 C ATOM 1832 O GLN A 113 -9.249 -17.037 -21.054 1.00 34.45 O ATOM 1833 CB GLN A 113 -11.001 -14.297 -21.049 1.00 3.24 C ATOM 1834 CG GLN A 113 -12.179 -13.390 -21.397 1.00 43.24 C ATOM 1835 CD GLN A 113 -11.987 -12.661 -22.717 1.00 24.32 C ATOM 1836 OE1 GLN A 113 -10.868 -12.356 -23.114 1.00 21.21 O ATOM 1837 NE2 GLN A 113 -13.071 -12.383 -23.406 1.00 12.43 N ATOM 0 H GLN A 113 -11.896 -16.915 -20.940 1.00 34.03 H new ATOM 0 HA GLN A 113 -10.860 -15.109 -23.053 1.00 64.21 H new ATOM 0 HB2 GLN A 113 -11.145 -14.694 -20.044 1.00 3.24 H new ATOM 0 HB3 GLN A 113 -10.089 -13.700 -21.028 1.00 3.24 H new ATOM 0 HG2 GLN A 113 -13.090 -13.987 -21.445 1.00 43.24 H new ATOM 0 HG3 GLN A 113 -12.318 -12.660 -20.600 1.00 43.24 H new ATOM 0 HE21 GLN A 113 -13.987 -12.651 -23.046 1.00 12.43 H new ATOM 0 HE22 GLN A 113 -12.996 -11.899 -24.301 1.00 12.43 H new ATOM 1846 N GLU A 114 -8.417 -15.547 -22.525 1.00 52.22 N ATOM 1847 CA GLU A 114 -7.029 -16.023 -22.408 1.00 34.33 C ATOM 1848 C GLU A 114 -6.051 -14.881 -22.058 1.00 64.43 C ATOM 1849 O GLU A 114 -5.326 -14.957 -21.060 1.00 21.21 O ATOM 1850 CB GLU A 114 -6.601 -16.743 -23.704 1.00 64.14 C ATOM 1851 CG GLU A 114 -6.893 -15.963 -24.984 1.00 23.12 C ATOM 1852 CD GLU A 114 -6.488 -16.716 -26.245 1.00 52.03 C ATOM 1853 OE1 GLU A 114 -7.263 -17.584 -26.701 1.00 20.50 O ATOM 1854 OE2 GLU A 114 -5.398 -16.435 -26.791 1.00 44.14 O ATOM 0 H GLU A 114 -8.540 -14.775 -23.181 1.00 52.22 H new ATOM 0 HA GLU A 114 -6.991 -16.734 -21.583 1.00 34.33 H new ATOM 0 HB2 GLU A 114 -5.532 -16.949 -23.655 1.00 64.14 H new ATOM 0 HB3 GLU A 114 -7.110 -17.706 -23.755 1.00 64.14 H new ATOM 0 HG2 GLU A 114 -7.958 -15.736 -25.029 1.00 23.12 H new ATOM 0 HG3 GLU A 114 -6.365 -15.010 -24.951 1.00 23.12 H new ATOM 1861 N LEU A 115 -6.039 -13.818 -22.865 1.00 73.23 N ATOM 1862 CA LEU A 115 -5.162 -12.661 -22.614 1.00 2.11 C ATOM 1863 C LEU A 115 -5.787 -11.684 -21.609 1.00 74.31 C ATOM 1864 O LEU A 115 -5.078 -10.913 -20.961 1.00 1.43 O ATOM 1865 CB LEU A 115 -4.826 -11.924 -23.926 1.00 44.03 C ATOM 1866 CG LEU A 115 -3.664 -12.514 -24.749 1.00 4.04 C ATOM 1867 CD1 LEU A 115 -2.361 -12.484 -23.949 1.00 54.01 C ATOM 1868 CD2 LEU A 115 -3.981 -13.934 -25.204 1.00 21.43 C ATOM 0 H LEU A 115 -6.623 -13.730 -23.697 1.00 73.23 H new ATOM 0 HA LEU A 115 -4.239 -13.048 -22.183 1.00 2.11 H new ATOM 0 HB2 LEU A 115 -5.719 -11.910 -24.551 1.00 44.03 H new ATOM 0 HB3 LEU A 115 -4.588 -10.887 -23.687 1.00 44.03 H new ATOM 0 HG LEU A 115 -3.535 -11.895 -25.637 1.00 4.04 H new ATOM 0 HD11 LEU A 115 -1.555 -12.905 -24.550 1.00 54.01 H new ATOM 0 HD12 LEU A 115 -2.118 -11.454 -23.687 1.00 54.01 H new ATOM 0 HD13 LEU A 115 -2.480 -13.071 -23.038 1.00 54.01 H new ATOM 0 HD21 LEU A 115 -3.144 -14.326 -25.782 1.00 21.43 H new ATOM 0 HD22 LEU A 115 -4.148 -14.567 -24.332 1.00 21.43 H new ATOM 0 HD23 LEU A 115 -4.878 -13.926 -25.823 1.00 21.43 H new ATOM 1880 N ALA A 116 -7.115 -11.717 -21.479 1.00 74.21 N ATOM 1881 CA ALA A 116 -7.819 -10.902 -20.478 1.00 3.12 C ATOM 1882 C ALA A 116 -7.215 -11.095 -19.081 1.00 11.33 C ATOM 1883 O ALA A 116 -7.058 -10.142 -18.320 1.00 44.51 O ATOM 1884 CB ALA A 116 -9.299 -11.252 -20.454 1.00 31.14 C ATOM 0 H ALA A 116 -7.727 -12.298 -22.052 1.00 74.21 H new ATOM 0 HA ALA A 116 -7.703 -9.856 -20.760 1.00 3.12 H new ATOM 0 HB1 ALA A 116 -9.806 -10.640 -19.708 1.00 31.14 H new ATOM 0 HB2 ALA A 116 -9.734 -11.062 -21.435 1.00 31.14 H new ATOM 0 HB3 ALA A 116 -9.420 -12.306 -20.202 1.00 31.14 H new ATOM 1890 N LYS A 117 -6.878 -12.345 -18.765 1.00 11.03 N ATOM 1891 CA LYS A 117 -6.199 -12.683 -17.514 1.00 51.43 C ATOM 1892 C LYS A 117 -4.906 -11.878 -17.337 1.00 31.51 C ATOM 1893 O LYS A 117 -4.629 -11.362 -16.255 1.00 21.34 O ATOM 1894 CB LYS A 117 -5.883 -14.185 -17.478 1.00 21.40 C ATOM 1895 CG LYS A 117 -7.072 -15.061 -17.102 1.00 21.01 C ATOM 1896 CD LYS A 117 -7.500 -14.857 -15.645 1.00 34.42 C ATOM 1897 CE LYS A 117 -6.463 -15.378 -14.639 1.00 33.10 C ATOM 1898 NZ LYS A 117 -5.208 -14.565 -14.610 1.00 0.35 N ATOM 0 H LYS A 117 -7.067 -13.148 -19.365 1.00 11.03 H new ATOM 0 HA LYS A 117 -6.869 -12.428 -16.693 1.00 51.43 H new ATOM 0 HB2 LYS A 117 -5.514 -14.492 -18.457 1.00 21.40 H new ATOM 0 HB3 LYS A 117 -5.077 -14.359 -16.765 1.00 21.40 H new ATOM 0 HG2 LYS A 117 -7.911 -14.835 -17.761 1.00 21.01 H new ATOM 0 HG3 LYS A 117 -6.815 -16.108 -17.261 1.00 21.01 H new ATOM 0 HD2 LYS A 117 -7.670 -13.795 -15.467 1.00 34.42 H new ATOM 0 HD3 LYS A 117 -8.450 -15.365 -15.476 1.00 34.42 H new ATOM 0 HE2 LYS A 117 -6.905 -15.387 -13.643 1.00 33.10 H new ATOM 0 HE3 LYS A 117 -6.214 -16.410 -14.886 1.00 33.10 H new ATOM 0 HZ1 LYS A 117 -4.949 -14.361 -13.624 1.00 0.35 H new ATOM 0 HZ2 LYS A 117 -4.439 -15.097 -15.066 1.00 0.35 H new ATOM 0 HZ3 LYS A 117 -5.361 -13.672 -15.120 1.00 0.35 H new ATOM 1912 N ALA A 118 -4.126 -11.775 -18.408 1.00 11.24 N ATOM 1913 CA ALA A 118 -2.854 -11.049 -18.375 1.00 1.24 C ATOM 1914 C ALA A 118 -3.066 -9.552 -18.117 1.00 14.33 C ATOM 1915 O ALA A 118 -2.464 -8.977 -17.212 1.00 65.41 O ATOM 1916 CB ALA A 118 -2.094 -11.267 -19.681 1.00 2.01 C ATOM 0 H ALA A 118 -4.350 -12.186 -19.314 1.00 11.24 H new ATOM 0 HA ALA A 118 -2.262 -11.442 -17.549 1.00 1.24 H new ATOM 0 HB1 ALA A 118 -1.150 -10.724 -19.648 1.00 2.01 H new ATOM 0 HB2 ALA A 118 -1.896 -12.331 -19.814 1.00 2.01 H new ATOM 0 HB3 ALA A 118 -2.693 -10.903 -20.516 1.00 2.01 H new ATOM 1922 N ALA A 119 -3.937 -8.934 -18.912 1.00 1.21 N ATOM 1923 CA ALA A 119 -4.224 -7.499 -18.787 1.00 74.31 C ATOM 1924 C ALA A 119 -4.852 -7.151 -17.427 1.00 40.14 C ATOM 1925 O ALA A 119 -4.345 -6.299 -16.695 1.00 63.12 O ATOM 1926 CB ALA A 119 -5.135 -7.052 -19.924 1.00 71.43 C ATOM 0 H ALA A 119 -4.459 -9.402 -19.652 1.00 1.21 H new ATOM 0 HA ALA A 119 -3.276 -6.964 -18.849 1.00 74.31 H new ATOM 0 HB1 ALA A 119 -5.344 -5.987 -19.825 1.00 71.43 H new ATOM 0 HB2 ALA A 119 -4.643 -7.239 -20.879 1.00 71.43 H new ATOM 0 HB3 ALA A 119 -6.070 -7.611 -19.882 1.00 71.43 H new ATOM 1932 N GLU A 120 -5.950 -7.828 -17.093 1.00 60.44 N ATOM 1933 CA GLU A 120 -6.677 -7.573 -15.842 1.00 2.22 C ATOM 1934 C GLU A 120 -5.764 -7.717 -14.613 1.00 1.30 C ATOM 1935 O GLU A 120 -5.634 -6.794 -13.805 1.00 41.51 O ATOM 1936 CB GLU A 120 -7.863 -8.545 -15.724 1.00 35.20 C ATOM 1937 CG GLU A 120 -8.781 -8.282 -14.530 1.00 15.44 C ATOM 1938 CD GLU A 120 -9.483 -6.932 -14.602 1.00 2.53 C ATOM 1939 OE1 GLU A 120 -10.270 -6.718 -15.552 1.00 10.43 O ATOM 1940 OE2 GLU A 120 -9.258 -6.085 -13.712 1.00 52.35 O ATOM 0 H GLU A 120 -6.360 -8.561 -17.672 1.00 60.44 H new ATOM 0 HA GLU A 120 -7.040 -6.545 -15.870 1.00 2.22 H new ATOM 0 HB2 GLU A 120 -8.453 -8.491 -16.639 1.00 35.20 H new ATOM 0 HB3 GLU A 120 -7.477 -9.562 -15.653 1.00 35.20 H new ATOM 0 HG2 GLU A 120 -9.530 -9.072 -14.474 1.00 15.44 H new ATOM 0 HG3 GLU A 120 -8.196 -8.332 -13.612 1.00 15.44 H new ATOM 1947 N GLU A 121 -5.112 -8.874 -14.494 1.00 50.41 N ATOM 1948 CA GLU A 121 -4.276 -9.174 -13.325 1.00 33.33 C ATOM 1949 C GLU A 121 -3.051 -8.241 -13.263 1.00 74.15 C ATOM 1950 O GLU A 121 -2.565 -7.909 -12.180 1.00 33.52 O ATOM 1951 CB GLU A 121 -3.841 -10.647 -13.355 1.00 13.23 C ATOM 1952 CG GLU A 121 -3.466 -11.212 -11.987 1.00 22.41 C ATOM 1953 CD GLU A 121 -3.154 -12.703 -12.023 1.00 50.03 C ATOM 1954 OE1 GLU A 121 -3.931 -13.466 -12.637 1.00 24.24 O ATOM 1955 OE2 GLU A 121 -2.137 -13.117 -11.424 1.00 73.43 O ATOM 0 H GLU A 121 -5.145 -9.619 -15.190 1.00 50.41 H new ATOM 0 HA GLU A 121 -4.866 -9.001 -12.425 1.00 33.33 H new ATOM 0 HB2 GLU A 121 -4.650 -11.245 -13.775 1.00 13.23 H new ATOM 0 HB3 GLU A 121 -2.988 -10.750 -14.025 1.00 13.23 H new ATOM 0 HG2 GLU A 121 -2.599 -10.674 -11.603 1.00 22.41 H new ATOM 0 HG3 GLU A 121 -4.285 -11.035 -11.290 1.00 22.41 H new ATOM 1962 N GLU A 122 -2.564 -7.819 -14.433 1.00 71.23 N ATOM 1963 CA GLU A 122 -1.480 -6.828 -14.519 1.00 72.22 C ATOM 1964 C GLU A 122 -1.907 -5.516 -13.848 1.00 34.02 C ATOM 1965 O GLU A 122 -1.210 -4.994 -12.971 1.00 71.42 O ATOM 1966 CB GLU A 122 -1.106 -6.590 -15.999 1.00 45.20 C ATOM 1967 CG GLU A 122 0.052 -5.612 -16.242 1.00 54.00 C ATOM 1968 CD GLU A 122 -0.363 -4.143 -16.244 1.00 33.34 C ATOM 1969 OE1 GLU A 122 -1.214 -3.763 -17.078 1.00 54.54 O ATOM 1970 OE2 GLU A 122 0.183 -3.357 -15.434 1.00 73.20 O ATOM 0 H GLU A 122 -2.902 -8.147 -15.338 1.00 71.23 H new ATOM 0 HA GLU A 122 -0.603 -7.209 -13.995 1.00 72.22 H new ATOM 0 HB2 GLU A 122 -0.848 -7.549 -16.449 1.00 45.20 H new ATOM 0 HB3 GLU A 122 -1.987 -6.219 -16.523 1.00 45.20 H new ATOM 0 HG2 GLU A 122 0.809 -5.764 -15.472 1.00 54.00 H new ATOM 0 HG3 GLU A 122 0.518 -5.848 -17.199 1.00 54.00 H new ATOM 1977 N MET A 123 -3.071 -5.007 -14.250 1.00 5.33 N ATOM 1978 CA MET A 123 -3.618 -3.771 -13.684 1.00 72.35 C ATOM 1979 C MET A 123 -3.832 -3.900 -12.169 1.00 30.31 C ATOM 1980 O MET A 123 -3.483 -3.003 -11.403 1.00 53.14 O ATOM 1981 CB MET A 123 -4.945 -3.415 -14.369 1.00 51.40 C ATOM 1982 CG MET A 123 -4.836 -3.249 -15.878 1.00 34.25 C ATOM 1983 SD MET A 123 -6.414 -2.810 -16.637 1.00 62.13 S ATOM 1984 CE MET A 123 -5.982 -2.830 -18.375 1.00 14.13 C ATOM 0 H MET A 123 -3.657 -5.432 -14.969 1.00 5.33 H new ATOM 0 HA MET A 123 -2.896 -2.974 -13.861 1.00 72.35 H new ATOM 0 HB2 MET A 123 -5.675 -4.194 -14.151 1.00 51.40 H new ATOM 0 HB3 MET A 123 -5.328 -2.490 -13.938 1.00 51.40 H new ATOM 0 HG2 MET A 123 -4.100 -2.477 -16.104 1.00 34.25 H new ATOM 0 HG3 MET A 123 -4.470 -4.177 -16.318 1.00 34.25 H new ATOM 0 HE1 MET A 123 -6.859 -2.577 -18.971 1.00 14.13 H new ATOM 0 HE2 MET A 123 -5.193 -2.101 -18.562 1.00 14.13 H new ATOM 0 HE3 MET A 123 -5.630 -3.824 -18.651 1.00 14.13 H new ATOM 1994 N LEU A 124 -4.384 -5.032 -11.738 1.00 63.21 N ATOM 1995 CA LEU A 124 -4.657 -5.263 -10.314 1.00 55.40 C ATOM 1996 C LEU A 124 -3.386 -5.149 -9.453 1.00 3.04 C ATOM 1997 O LEU A 124 -3.452 -4.725 -8.300 1.00 64.41 O ATOM 1998 CB LEU A 124 -5.326 -6.630 -10.103 1.00 62.40 C ATOM 1999 CG LEU A 124 -6.702 -6.795 -10.777 1.00 4.14 C ATOM 2000 CD1 LEU A 124 -7.335 -8.131 -10.395 1.00 53.04 C ATOM 2001 CD2 LEU A 124 -7.632 -5.634 -10.419 1.00 3.20 C ATOM 0 H LEU A 124 -4.652 -5.804 -12.349 1.00 63.21 H new ATOM 0 HA LEU A 124 -5.342 -4.480 -9.989 1.00 55.40 H new ATOM 0 HB2 LEU A 124 -4.659 -7.406 -10.479 1.00 62.40 H new ATOM 0 HB3 LEU A 124 -5.440 -6.800 -9.032 1.00 62.40 H new ATOM 0 HG LEU A 124 -6.550 -6.784 -11.856 1.00 4.14 H new ATOM 0 HD11 LEU A 124 -8.306 -8.226 -10.882 1.00 53.04 H new ATOM 0 HD12 LEU A 124 -6.686 -8.946 -10.716 1.00 53.04 H new ATOM 0 HD13 LEU A 124 -7.466 -8.176 -9.314 1.00 53.04 H new ATOM 0 HD21 LEU A 124 -8.596 -5.776 -10.908 1.00 3.20 H new ATOM 0 HD22 LEU A 124 -7.774 -5.602 -9.339 1.00 3.20 H new ATOM 0 HD23 LEU A 124 -7.189 -4.696 -10.755 1.00 3.20 H new ATOM 2013 N TYR A 125 -2.230 -5.520 -10.009 1.00 4.23 N ATOM 2014 CA TYR A 125 -0.955 -5.377 -9.293 1.00 41.54 C ATOM 2015 C TYR A 125 -0.708 -3.913 -8.887 1.00 21.23 C ATOM 2016 O TYR A 125 -0.616 -3.590 -7.699 1.00 22.14 O ATOM 2017 CB TYR A 125 0.219 -5.871 -10.151 1.00 70.44 C ATOM 2018 CG TYR A 125 0.188 -7.354 -10.485 1.00 3.42 C ATOM 2019 CD1 TYR A 125 -0.465 -8.271 -9.662 1.00 14.54 C ATOM 2020 CD2 TYR A 125 0.824 -7.837 -11.624 1.00 72.24 C ATOM 2021 CE1 TYR A 125 -0.483 -9.618 -9.969 1.00 51.23 C ATOM 2022 CE2 TYR A 125 0.810 -9.183 -11.933 1.00 41.23 C ATOM 2023 CZ TYR A 125 0.158 -10.068 -11.105 1.00 23.00 C ATOM 2024 OH TYR A 125 0.153 -11.410 -11.414 1.00 73.45 O ATOM 0 H TYR A 125 -2.148 -5.919 -10.944 1.00 4.23 H new ATOM 0 HA TYR A 125 -1.021 -5.989 -8.393 1.00 41.54 H new ATOM 0 HB2 TYR A 125 0.234 -5.304 -11.082 1.00 70.44 H new ATOM 0 HB3 TYR A 125 1.150 -5.650 -9.629 1.00 70.44 H new ATOM 0 HD1 TYR A 125 -0.965 -7.923 -8.770 1.00 14.54 H new ATOM 0 HD2 TYR A 125 1.338 -7.148 -12.278 1.00 72.24 H new ATOM 0 HE1 TYR A 125 -0.996 -10.315 -9.323 1.00 51.23 H new ATOM 0 HE2 TYR A 125 1.309 -9.540 -12.822 1.00 41.23 H new ATOM 0 HH TYR A 125 -0.757 -11.763 -11.325 1.00 73.45 H new ATOM 2034 N LYS A 126 -0.615 -3.032 -9.887 1.00 61.44 N ATOM 2035 CA LYS A 126 -0.384 -1.602 -9.650 1.00 54.42 C ATOM 2036 C LYS A 126 -1.535 -0.958 -8.864 1.00 3.11 C ATOM 2037 O LYS A 126 -1.310 -0.092 -8.020 1.00 12.24 O ATOM 2038 CB LYS A 126 -0.179 -0.858 -10.981 1.00 4.42 C ATOM 2039 CG LYS A 126 -1.232 -1.181 -12.041 1.00 43.54 C ATOM 2040 CD LYS A 126 -1.103 -0.294 -13.276 1.00 71.10 C ATOM 2041 CE LYS A 126 -1.597 1.124 -13.010 1.00 14.43 C ATOM 2042 NZ LYS A 126 -3.065 1.162 -12.760 1.00 64.11 N ATOM 0 H LYS A 126 -0.696 -3.284 -10.872 1.00 61.44 H new ATOM 0 HA LYS A 126 0.521 -1.519 -9.048 1.00 54.42 H new ATOM 0 HB2 LYS A 126 -0.187 0.215 -10.791 1.00 4.42 H new ATOM 0 HB3 LYS A 126 0.807 -1.105 -11.375 1.00 4.42 H new ATOM 0 HG2 LYS A 126 -1.138 -2.226 -12.336 1.00 43.54 H new ATOM 0 HG3 LYS A 126 -2.226 -1.059 -11.611 1.00 43.54 H new ATOM 0 HD2 LYS A 126 -0.061 -0.262 -13.593 1.00 71.10 H new ATOM 0 HD3 LYS A 126 -1.673 -0.729 -14.097 1.00 71.10 H new ATOM 0 HE2 LYS A 126 -1.071 1.536 -12.149 1.00 14.43 H new ATOM 0 HE3 LYS A 126 -1.357 1.758 -13.863 1.00 14.43 H new ATOM 0 HZ1 LYS A 126 -3.408 2.140 -12.853 1.00 64.11 H new ATOM 0 HZ2 LYS A 126 -3.551 0.558 -13.453 1.00 64.11 H new ATOM 0 HZ3 LYS A 126 -3.263 0.815 -11.800 1.00 64.11 H new ATOM 2056 N ASP A 127 -2.769 -1.374 -9.147 1.00 42.52 N ATOM 2057 CA ASP A 127 -3.942 -0.818 -8.465 1.00 74.03 C ATOM 2058 C ASP A 127 -3.928 -1.131 -6.961 1.00 53.40 C ATOM 2059 O ASP A 127 -4.015 -0.226 -6.139 1.00 31.13 O ATOM 2060 CB ASP A 127 -5.237 -1.329 -9.112 1.00 44.34 C ATOM 2061 CG ASP A 127 -5.413 -0.835 -10.541 1.00 41.23 C ATOM 2062 OD1 ASP A 127 -4.749 0.151 -10.927 1.00 55.51 O ATOM 2063 OD2 ASP A 127 -6.215 -1.431 -11.285 1.00 41.13 O ATOM 0 H ASP A 127 -2.984 -2.091 -9.840 1.00 42.52 H new ATOM 0 HA ASP A 127 -3.901 0.266 -8.574 1.00 74.03 H new ATOM 0 HB2 ASP A 127 -5.236 -2.419 -9.106 1.00 44.34 H new ATOM 0 HB3 ASP A 127 -6.089 -1.008 -8.513 1.00 44.34 H new ATOM 2068 N MET A 128 -3.799 -2.407 -6.601 1.00 35.33 N ATOM 2069 CA MET A 128 -3.775 -2.802 -5.185 1.00 53.52 C ATOM 2070 C MET A 128 -2.561 -2.206 -4.456 1.00 64.03 C ATOM 2071 O MET A 128 -2.680 -1.711 -3.331 1.00 32.41 O ATOM 2072 CB MET A 128 -3.769 -4.328 -5.050 1.00 31.32 C ATOM 2073 CG MET A 128 -4.991 -5.004 -5.654 1.00 63.14 C ATOM 2074 SD MET A 128 -4.989 -6.788 -5.396 1.00 11.25 S ATOM 2075 CE MET A 128 -3.436 -7.247 -6.166 1.00 15.24 C ATOM 0 H MET A 128 -3.710 -3.181 -7.259 1.00 35.33 H new ATOM 0 HA MET A 128 -4.678 -2.408 -4.720 1.00 53.52 H new ATOM 0 HB2 MET A 128 -2.873 -4.722 -5.530 1.00 31.32 H new ATOM 0 HB3 MET A 128 -3.706 -4.589 -3.994 1.00 31.32 H new ATOM 0 HG2 MET A 128 -5.893 -4.577 -5.215 1.00 63.14 H new ATOM 0 HG3 MET A 128 -5.027 -4.794 -6.723 1.00 63.14 H new ATOM 0 HE1 MET A 128 -3.336 -8.332 -6.165 1.00 15.24 H new ATOM 0 HE2 MET A 128 -3.417 -6.882 -7.193 1.00 15.24 H new ATOM 0 HE3 MET A 128 -2.609 -6.806 -5.609 1.00 15.24 H new ATOM 2085 N GLN A 129 -1.394 -2.253 -5.100 1.00 31.22 N ATOM 2086 CA GLN A 129 -0.172 -1.680 -4.525 1.00 34.11 C ATOM 2087 C GLN A 129 -0.332 -0.169 -4.282 1.00 43.31 C ATOM 2088 O GLN A 129 0.091 0.359 -3.249 1.00 35.33 O ATOM 2089 CB GLN A 129 1.024 -1.931 -5.456 1.00 72.51 C ATOM 2090 CG GLN A 129 2.361 -1.443 -4.901 1.00 13.51 C ATOM 2091 CD GLN A 129 2.811 -2.224 -3.677 1.00 4.53 C ATOM 2092 OE1 GLN A 129 3.513 -3.222 -3.790 1.00 33.21 O ATOM 2093 NE2 GLN A 129 2.406 -1.786 -2.500 1.00 24.14 N ATOM 0 H GLN A 129 -1.267 -2.680 -6.018 1.00 31.22 H new ATOM 0 HA GLN A 129 0.009 -2.168 -3.567 1.00 34.11 H new ATOM 0 HB2 GLN A 129 1.095 -3.000 -5.658 1.00 72.51 H new ATOM 0 HB3 GLN A 129 0.837 -1.438 -6.410 1.00 72.51 H new ATOM 0 HG2 GLN A 129 3.122 -1.523 -5.677 1.00 13.51 H new ATOM 0 HG3 GLN A 129 2.278 -0.387 -4.643 1.00 13.51 H new ATOM 0 HE21 GLN A 129 1.822 -0.952 -2.440 1.00 24.14 H new ATOM 0 HE22 GLN A 129 2.677 -2.282 -1.651 1.00 24.14 H new ATOM 2102 N LYS A 130 -0.955 0.512 -5.244 1.00 72.11 N ATOM 2103 CA LYS A 130 -1.159 1.960 -5.168 1.00 74.21 C ATOM 2104 C LYS A 130 -2.238 2.321 -4.134 1.00 41.44 C ATOM 2105 O LYS A 130 -2.038 3.199 -3.299 1.00 12.40 O ATOM 2106 CB LYS A 130 -1.544 2.511 -6.544 1.00 74.32 C ATOM 2107 CG LYS A 130 -1.453 4.027 -6.640 1.00 4.44 C ATOM 2108 CD LYS A 130 -1.832 4.526 -8.028 1.00 30.44 C ATOM 2109 CE LYS A 130 -1.528 6.006 -8.196 1.00 55.52 C ATOM 2110 NZ LYS A 130 -0.072 6.290 -8.105 1.00 55.34 N ATOM 0 H LYS A 130 -1.329 0.082 -6.090 1.00 72.11 H new ATOM 0 HA LYS A 130 -0.221 2.414 -4.848 1.00 74.21 H new ATOM 0 HB2 LYS A 130 -0.894 2.068 -7.298 1.00 74.32 H new ATOM 0 HB3 LYS A 130 -2.562 2.201 -6.778 1.00 74.32 H new ATOM 0 HG2 LYS A 130 -2.111 4.479 -5.898 1.00 4.44 H new ATOM 0 HG3 LYS A 130 -0.438 4.347 -6.403 1.00 4.44 H new ATOM 0 HD2 LYS A 130 -1.288 3.955 -8.781 1.00 30.44 H new ATOM 0 HD3 LYS A 130 -2.894 4.351 -8.200 1.00 30.44 H new ATOM 0 HE2 LYS A 130 -1.904 6.346 -9.161 1.00 55.52 H new ATOM 0 HE3 LYS A 130 -2.057 6.574 -7.430 1.00 55.52 H new ATOM 0 HZ1 LYS A 130 0.126 7.224 -8.517 1.00 55.34 H new ATOM 0 HZ2 LYS A 130 0.221 6.283 -7.107 1.00 55.34 H new ATOM 0 HZ3 LYS A 130 0.457 5.562 -8.627 1.00 55.34 H new ATOM 2124 N ASP A 131 -3.381 1.636 -4.193 1.00 34.33 N ATOM 2125 CA ASP A 131 -4.459 1.845 -3.219 1.00 22.32 C ATOM 2126 C ASP A 131 -3.929 1.768 -1.778 1.00 23.05 C ATOM 2127 O ASP A 131 -4.348 2.536 -0.911 1.00 72.12 O ATOM 2128 CB ASP A 131 -5.587 0.816 -3.422 1.00 60.31 C ATOM 2129 CG ASP A 131 -6.395 1.048 -4.692 1.00 22.14 C ATOM 2130 OD1 ASP A 131 -6.127 2.033 -5.414 1.00 71.03 O ATOM 2131 OD2 ASP A 131 -7.323 0.253 -4.962 1.00 41.23 O ATOM 0 H ASP A 131 -3.586 0.933 -4.903 1.00 34.33 H new ATOM 0 HA ASP A 131 -4.862 2.844 -3.384 1.00 22.32 H new ATOM 0 HB2 ASP A 131 -5.155 -0.184 -3.452 1.00 60.31 H new ATOM 0 HB3 ASP A 131 -6.257 0.848 -2.563 1.00 60.31 H new ATOM 2136 N ALA A 132 -2.994 0.848 -1.539 1.00 11.42 N ATOM 2137 CA ALA A 132 -2.360 0.703 -0.224 1.00 1.30 C ATOM 2138 C ALA A 132 -1.640 1.990 0.217 1.00 31.34 C ATOM 2139 O ALA A 132 -1.925 2.536 1.284 1.00 70.01 O ATOM 2140 CB ALA A 132 -1.385 -0.467 -0.246 1.00 4.03 C ATOM 0 H ALA A 132 -2.656 0.189 -2.240 1.00 11.42 H new ATOM 0 HA ALA A 132 -3.148 0.509 0.504 1.00 1.30 H new ATOM 0 HB1 ALA A 132 -0.917 -0.569 0.733 1.00 4.03 H new ATOM 0 HB2 ALA A 132 -1.922 -1.384 -0.489 1.00 4.03 H new ATOM 0 HB3 ALA A 132 -0.617 -0.286 -0.998 1.00 4.03 H new ATOM 2146 N VAL A 133 -0.708 2.473 -0.607 1.00 1.02 N ATOM 2147 CA VAL A 133 0.045 3.691 -0.282 1.00 15.21 C ATOM 2148 C VAL A 133 -0.872 4.930 -0.220 1.00 2.50 C ATOM 2149 O VAL A 133 -0.662 5.828 0.600 1.00 73.21 O ATOM 2150 CB VAL A 133 1.209 3.941 -1.279 1.00 20.51 C ATOM 2151 CG1 VAL A 133 0.713 3.996 -2.722 1.00 33.11 C ATOM 2152 CG2 VAL A 133 1.957 5.219 -0.918 1.00 63.32 C ATOM 0 H VAL A 133 -0.456 2.045 -1.498 1.00 1.02 H new ATOM 0 HA VAL A 133 0.475 3.529 0.707 1.00 15.21 H new ATOM 0 HB VAL A 133 1.897 3.099 -1.201 1.00 20.51 H new ATOM 0 HG11 VAL A 133 1.556 4.172 -3.390 1.00 33.11 H new ATOM 0 HG12 VAL A 133 0.238 3.050 -2.980 1.00 33.11 H new ATOM 0 HG13 VAL A 133 -0.009 4.805 -2.828 1.00 33.11 H new ATOM 0 HG21 VAL A 133 2.769 5.378 -1.627 1.00 63.32 H new ATOM 0 HG22 VAL A 133 1.271 6.065 -0.956 1.00 63.32 H new ATOM 0 HG23 VAL A 133 2.367 5.129 0.088 1.00 63.32 H new ATOM 2162 N GLN A 134 -1.897 4.967 -1.073 1.00 25.33 N ATOM 2163 CA GLN A 134 -2.898 6.043 -1.033 1.00 52.04 C ATOM 2164 C GLN A 134 -3.636 6.044 0.318 1.00 22.10 C ATOM 2165 O GLN A 134 -3.911 7.102 0.890 1.00 62.32 O ATOM 2166 CB GLN A 134 -3.901 5.889 -2.191 1.00 43.42 C ATOM 2167 CG GLN A 134 -3.268 5.990 -3.582 1.00 41.34 C ATOM 2168 CD GLN A 134 -2.729 7.378 -3.909 1.00 12.44 C ATOM 2169 OE1 GLN A 134 -3.386 8.410 -3.412 1.00 10.31 O flip ATOM 2170 NE2 GLN A 134 -1.744 7.524 -4.627 1.00 54.33 N flip ATOM 0 H GLN A 134 -2.059 4.269 -1.799 1.00 25.33 H new ATOM 0 HA GLN A 134 -2.382 6.996 -1.146 1.00 52.04 H new ATOM 0 HB2 GLN A 134 -4.400 4.924 -2.100 1.00 43.42 H new ATOM 0 HB3 GLN A 134 -4.670 6.656 -2.096 1.00 43.42 H new ATOM 0 HG2 GLN A 134 -2.455 5.267 -3.655 1.00 41.34 H new ATOM 0 HG3 GLN A 134 -4.010 5.712 -4.331 1.00 41.34 H new ATOM 0 HE21 GLN A 134 -1.257 6.708 -4.996 1.00 54.33 H new ATOM 0 HE22 GLN A 134 -1.413 8.462 -4.854 1.00 54.33 H new ATOM 2179 N GLN A 135 -3.940 4.847 0.826 1.00 14.22 N ATOM 2180 CA GLN A 135 -4.540 4.694 2.160 1.00 2.13 C ATOM 2181 C GLN A 135 -3.577 5.178 3.256 1.00 4.41 C ATOM 2182 O GLN A 135 -3.986 5.878 4.187 1.00 42.14 O ATOM 2183 CB GLN A 135 -4.932 3.227 2.413 1.00 20.15 C ATOM 2184 CG GLN A 135 -6.133 2.745 1.603 1.00 10.12 C ATOM 2185 CD GLN A 135 -7.459 3.294 2.108 1.00 23.53 C ATOM 2186 OE1 GLN A 135 -7.529 4.387 2.664 1.00 33.34 O ATOM 2187 NE2 GLN A 135 -8.520 2.534 1.929 1.00 42.50 N ATOM 0 H GLN A 135 -3.781 3.967 0.335 1.00 14.22 H new ATOM 0 HA GLN A 135 -5.439 5.310 2.194 1.00 2.13 H new ATOM 0 HB2 GLN A 135 -4.077 2.591 2.185 1.00 20.15 H new ATOM 0 HB3 GLN A 135 -5.150 3.100 3.473 1.00 20.15 H new ATOM 0 HG2 GLN A 135 -6.000 3.036 0.561 1.00 10.12 H new ATOM 0 HG3 GLN A 135 -6.166 1.656 1.628 1.00 10.12 H new ATOM 0 HE21 GLN A 135 -8.428 1.631 1.463 1.00 42.50 H new ATOM 0 HE22 GLN A 135 -9.434 2.848 2.256 1.00 42.50 H new ATOM 2196 N ILE A 136 -2.299 4.806 3.139 1.00 62.42 N ATOM 2197 CA ILE A 136 -1.268 5.277 4.075 1.00 71.43 C ATOM 2198 C ILE A 136 -1.249 6.810 4.133 1.00 31.24 C ATOM 2199 O ILE A 136 -1.398 7.404 5.201 1.00 73.44 O ATOM 2200 CB ILE A 136 0.149 4.768 3.683 1.00 11.11 C ATOM 2201 CG1 ILE A 136 0.202 3.230 3.706 1.00 75.54 C ATOM 2202 CG2 ILE A 136 1.213 5.362 4.610 1.00 51.42 C ATOM 2203 CD1 ILE A 136 1.543 2.653 3.302 1.00 0.52 C ATOM 0 H ILE A 136 -1.952 4.183 2.410 1.00 62.42 H new ATOM 0 HA ILE A 136 -1.523 4.872 5.054 1.00 71.43 H new ATOM 0 HB ILE A 136 0.360 5.099 2.666 1.00 11.11 H new ATOM 0 HG12 ILE A 136 -0.043 2.883 4.710 1.00 75.54 H new ATOM 0 HG13 ILE A 136 -0.566 2.840 3.038 1.00 75.54 H new ATOM 0 HG21 ILE A 136 2.196 4.993 4.319 1.00 51.42 H new ATOM 0 HG22 ILE A 136 1.196 6.449 4.534 1.00 51.42 H new ATOM 0 HG23 ILE A 136 1.005 5.067 5.639 1.00 51.42 H new ATOM 0 HD11 ILE A 136 1.498 1.565 3.344 1.00 0.52 H new ATOM 0 HD12 ILE A 136 1.783 2.967 2.286 1.00 0.52 H new ATOM 0 HD13 ILE A 136 2.314 3.011 3.985 1.00 0.52 H new ATOM 2215 N LEU A 137 -1.088 7.438 2.967 1.00 61.43 N ATOM 2216 CA LEU A 137 -1.057 8.900 2.859 1.00 60.41 C ATOM 2217 C LEU A 137 -2.309 9.543 3.482 1.00 33.10 C ATOM 2218 O LEU A 137 -2.207 10.479 4.280 1.00 2.53 O ATOM 2219 CB LEU A 137 -0.939 9.319 1.386 1.00 53.22 C ATOM 2220 CG LEU A 137 -0.880 10.837 1.144 1.00 43.11 C ATOM 2221 CD1 LEU A 137 0.342 11.443 1.831 1.00 73.34 C ATOM 2222 CD2 LEU A 137 -0.872 11.149 -0.352 1.00 53.14 C ATOM 0 H LEU A 137 -0.976 6.953 2.077 1.00 61.43 H new ATOM 0 HA LEU A 137 -0.186 9.252 3.411 1.00 60.41 H new ATOM 0 HB2 LEU A 137 -0.042 8.864 0.965 1.00 53.22 H new ATOM 0 HB3 LEU A 137 -1.789 8.912 0.839 1.00 53.22 H new ATOM 0 HG LEU A 137 -1.774 11.287 1.577 1.00 43.11 H new ATOM 0 HD11 LEU A 137 0.367 12.517 1.648 1.00 73.34 H new ATOM 0 HD12 LEU A 137 0.285 11.258 2.904 1.00 73.34 H new ATOM 0 HD13 LEU A 137 1.248 10.986 1.432 1.00 73.34 H new ATOM 0 HD21 LEU A 137 -0.830 12.228 -0.498 1.00 53.14 H new ATOM 0 HD22 LEU A 137 -0.001 10.686 -0.816 1.00 53.14 H new ATOM 0 HD23 LEU A 137 -1.779 10.756 -0.811 1.00 53.14 H new ATOM 2234 N ARG A 138 -3.486 9.034 3.116 1.00 12.20 N ATOM 2235 CA ARG A 138 -4.754 9.551 3.649 1.00 54.31 C ATOM 2236 C ARG A 138 -4.769 9.530 5.186 1.00 30.43 C ATOM 2237 O ARG A 138 -4.980 10.558 5.830 1.00 21.11 O ATOM 2238 CB ARG A 138 -5.941 8.735 3.115 1.00 1.04 C ATOM 2239 CG ARG A 138 -7.296 9.203 3.650 1.00 53.34 C ATOM 2240 CD ARG A 138 -8.446 8.314 3.179 1.00 51.43 C ATOM 2241 NE ARG A 138 -8.291 6.924 3.617 1.00 23.13 N ATOM 2242 CZ ARG A 138 -8.770 6.442 4.735 1.00 64.12 C ATOM 2243 NH1 ARG A 138 -9.391 7.211 5.575 1.00 13.15 N ATOM 2244 NH2 ARG A 138 -8.617 5.187 5.011 1.00 22.11 N ATOM 0 H ARG A 138 -3.591 8.265 2.454 1.00 12.20 H new ATOM 0 HA ARG A 138 -4.847 10.585 3.315 1.00 54.31 H new ATOM 0 HB2 ARG A 138 -5.950 8.792 2.027 1.00 1.04 H new ATOM 0 HB3 ARG A 138 -5.798 7.687 3.378 1.00 1.04 H new ATOM 0 HG2 ARG A 138 -7.270 9.212 4.740 1.00 53.34 H new ATOM 0 HG3 ARG A 138 -7.477 10.228 3.327 1.00 53.34 H new ATOM 0 HD2 ARG A 138 -9.387 8.710 3.560 1.00 51.43 H new ATOM 0 HD3 ARG A 138 -8.504 8.345 2.091 1.00 51.43 H new ATOM 0 HE ARG A 138 -7.774 6.289 3.009 1.00 23.13 H new ATOM 0 HH11 ARG A 138 -9.510 8.202 5.367 1.00 13.15 H new ATOM 0 HH12 ARG A 138 -9.760 6.824 6.444 1.00 13.15 H new ATOM 0 HH21 ARG A 138 -8.124 4.578 4.358 1.00 22.11 H new ATOM 0 HH22 ARG A 138 -8.989 4.807 5.882 1.00 22.11 H new ATOM 2258 N GLN A 139 -4.525 8.356 5.764 1.00 31.41 N ATOM 2259 CA GLN A 139 -4.557 8.187 7.220 1.00 71.05 C ATOM 2260 C GLN A 139 -3.488 9.048 7.920 1.00 42.22 C ATOM 2261 O GLN A 139 -3.768 9.695 8.928 1.00 21.43 O ATOM 2262 CB GLN A 139 -4.380 6.704 7.580 1.00 72.23 C ATOM 2263 CG GLN A 139 -5.490 5.807 7.029 1.00 53.13 C ATOM 2264 CD GLN A 139 -5.319 4.330 7.368 1.00 11.45 C ATOM 2265 OE1 GLN A 139 -4.086 3.871 7.471 1.00 74.25 O flip ATOM 2266 NE2 GLN A 139 -6.293 3.602 7.517 1.00 31.34 N flip ATOM 0 H GLN A 139 -4.302 7.505 5.248 1.00 31.41 H new ATOM 0 HA GLN A 139 -5.529 8.528 7.576 1.00 71.05 H new ATOM 0 HB2 GLN A 139 -3.420 6.357 7.198 1.00 72.23 H new ATOM 0 HB3 GLN A 139 -4.347 6.603 8.665 1.00 72.23 H new ATOM 0 HG2 GLN A 139 -6.448 6.150 7.419 1.00 53.13 H new ATOM 0 HG3 GLN A 139 -5.529 5.918 5.945 1.00 53.13 H new ATOM 0 HE21 GLN A 139 -7.234 3.986 7.431 1.00 31.34 H new ATOM 0 HE22 GLN A 139 -6.163 2.612 7.727 1.00 31.34 H new ATOM 2275 N VAL A 140 -2.271 9.066 7.372 1.00 52.52 N ATOM 2276 CA VAL A 140 -1.181 9.880 7.933 1.00 74.11 C ATOM 2277 C VAL A 140 -1.544 11.377 7.955 1.00 20.21 C ATOM 2278 O VAL A 140 -1.447 12.035 8.993 1.00 30.13 O ATOM 2279 CB VAL A 140 0.144 9.683 7.143 1.00 42.33 C ATOM 2280 CG1 VAL A 140 1.218 10.669 7.605 1.00 33.10 C ATOM 2281 CG2 VAL A 140 0.646 8.246 7.284 1.00 61.03 C ATOM 0 H VAL A 140 -2.012 8.530 6.544 1.00 52.52 H new ATOM 0 HA VAL A 140 -1.035 9.538 8.958 1.00 74.11 H new ATOM 0 HB VAL A 140 -0.064 9.880 6.091 1.00 42.33 H new ATOM 0 HG11 VAL A 140 2.132 10.506 7.034 1.00 33.10 H new ATOM 0 HG12 VAL A 140 0.868 11.689 7.446 1.00 33.10 H new ATOM 0 HG13 VAL A 140 1.421 10.516 8.665 1.00 33.10 H new ATOM 0 HG21 VAL A 140 1.574 8.128 6.724 1.00 61.03 H new ATOM 0 HG22 VAL A 140 0.826 8.025 8.336 1.00 61.03 H new ATOM 0 HG23 VAL A 140 -0.104 7.559 6.892 1.00 61.03 H new ATOM 2291 N SER A 141 -1.975 11.903 6.808 1.00 20.24 N ATOM 2292 CA SER A 141 -2.349 13.325 6.692 1.00 33.15 C ATOM 2293 C SER A 141 -3.575 13.667 7.556 1.00 24.00 C ATOM 2294 O SER A 141 -3.794 14.828 7.909 1.00 2.05 O ATOM 2295 CB SER A 141 -2.632 13.695 5.226 1.00 71.14 C ATOM 2296 OG SER A 141 -3.743 12.977 4.701 1.00 41.24 O ATOM 0 H SER A 141 -2.076 11.372 5.943 1.00 20.24 H new ATOM 0 HA SER A 141 -1.503 13.908 7.056 1.00 33.15 H new ATOM 0 HB2 SER A 141 -2.824 14.765 5.153 1.00 71.14 H new ATOM 0 HB3 SER A 141 -1.748 13.488 4.622 1.00 71.14 H new ATOM 0 HG SER A 141 -3.961 12.230 5.297 1.00 41.24 H new ATOM 2302 N ALA A 142 -4.365 12.649 7.897 1.00 14.24 N ATOM 2303 CA ALA A 142 -5.562 12.834 8.727 1.00 72.10 C ATOM 2304 C ALA A 142 -5.224 12.896 10.229 1.00 64.01 C ATOM 2305 O ALA A 142 -5.980 13.465 11.019 1.00 4.33 O ATOM 2306 CB ALA A 142 -6.560 11.715 8.455 1.00 22.44 C ATOM 0 H ALA A 142 -4.199 11.684 7.612 1.00 14.24 H new ATOM 0 HA ALA A 142 -6.006 13.792 8.457 1.00 72.10 H new ATOM 0 HB1 ALA A 142 -7.445 11.859 9.074 1.00 22.44 H new ATOM 0 HB2 ALA A 142 -6.846 11.730 7.403 1.00 22.44 H new ATOM 0 HB3 ALA A 142 -6.103 10.754 8.693 1.00 22.44 H new ATOM 2312 N PHE A 143 -4.072 12.340 10.615 1.00 55.53 N ATOM 2313 CA PHE A 143 -3.657 12.279 12.031 1.00 45.43 C ATOM 2314 C PHE A 143 -3.263 13.651 12.616 1.00 74.02 C ATOM 2315 O PHE A 143 -2.572 13.727 13.634 1.00 3.22 O ATOM 2316 CB PHE A 143 -2.495 11.284 12.203 1.00 74.23 C ATOM 2317 CG PHE A 143 -2.952 9.865 12.417 1.00 33.43 C ATOM 2318 CD1 PHE A 143 -3.773 9.564 13.491 1.00 60.44 C ATOM 2319 CD2 PHE A 143 -2.562 8.841 11.565 1.00 34.14 C ATOM 2320 CE1 PHE A 143 -4.198 8.267 13.715 1.00 11.33 C ATOM 2321 CE2 PHE A 143 -2.984 7.542 11.783 1.00 62.33 C ATOM 2322 CZ PHE A 143 -3.804 7.256 12.860 1.00 43.41 C ATOM 0 H PHE A 143 -3.403 11.922 9.968 1.00 55.53 H new ATOM 0 HA PHE A 143 -4.529 11.939 12.590 1.00 45.43 H new ATOM 0 HB2 PHE A 143 -1.858 11.324 11.319 1.00 74.23 H new ATOM 0 HB3 PHE A 143 -1.884 11.593 13.051 1.00 74.23 H new ATOM 0 HD1 PHE A 143 -4.085 10.351 14.161 1.00 60.44 H new ATOM 0 HD2 PHE A 143 -1.922 9.061 10.723 1.00 34.14 H new ATOM 0 HE1 PHE A 143 -4.837 8.045 14.557 1.00 11.33 H new ATOM 0 HE2 PHE A 143 -2.674 6.753 11.114 1.00 62.33 H new ATOM 0 HZ PHE A 143 -4.136 6.243 13.032 1.00 43.41 H new ATOM 2332 N THR A 144 -3.720 14.730 11.992 1.00 24.13 N ATOM 2333 CA THR A 144 -3.461 16.079 12.502 1.00 73.44 C ATOM 2334 C THR A 144 -4.624 16.591 13.367 1.00 12.21 C ATOM 2335 O THR A 144 -4.506 17.610 14.054 1.00 41.13 O ATOM 2336 CB THR A 144 -3.204 17.077 11.346 1.00 40.24 C ATOM 2337 OG1 THR A 144 -2.921 18.388 11.864 1.00 62.33 O ATOM 2338 CG2 THR A 144 -4.404 17.149 10.402 1.00 23.11 C ATOM 0 H THR A 144 -4.271 14.702 11.134 1.00 24.13 H new ATOM 0 HA THR A 144 -2.567 16.013 13.122 1.00 73.44 H new ATOM 0 HB THR A 144 -2.341 16.717 10.786 1.00 40.24 H new ATOM 0 HG1 THR A 144 -3.339 18.489 12.745 1.00 62.33 H new ATOM 0 HG21 THR A 144 -4.194 17.857 9.601 1.00 23.11 H new ATOM 0 HG22 THR A 144 -4.591 16.164 9.975 1.00 23.11 H new ATOM 0 HG23 THR A 144 -5.283 17.477 10.956 1.00 23.11 H new