USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=29 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 37 THR OG1 : rot -93:sc= 1.23 USER MOD Set 1.2: A 38 HIS :FLIP no HD1:sc=-0.00407 F(o=-0.54,f=0.89) USER MOD Set 1.3: A 134 GLN :FLIP amide:sc= -0.339 F(o=-3.5!,f=0.89) USER MOD Single : A 10 SER OG : rot 180:sc= -0.277 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 46:sc= 0.442 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -34:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0576) USER MOD Single : A 45 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.016) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.194) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0735) USER MOD Single : A 50 SER OG : rot -160:sc= -0.428 USER MOD Single : A 55 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.8!) USER MOD Single : A 58 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 1.26 (180deg=-1.11) USER MOD Single : A 67 SER OG : rot 180:sc= -0.923 USER MOD Single : A 69 SER OG : rot 180:sc= -0.19 USER MOD Single : A 71 SER OG : rot -43:sc= 0.877 USER MOD Single : A 81 TYR OH : rot 130:sc= -0.211 USER MOD Single : A 91 HIS :FLIP no HE2:sc= 0.102 F(o=-0.51,f=0.1) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 39:sc= 0.378 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.06 F(o=-1.3,f=-0.06) USER MOD Single : A 104 THR OG1 : rot 39:sc= 0.33 USER MOD Single : A 113 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.3) USER MOD Single : A 117 LYS NZ :NH3+ -173:sc=-0.00306 (180deg=-0.117) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 TYR OH : rot -130:sc= 0.552 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 178:sc= -1.07 (180deg=-1.08) USER MOD Single : A 129 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.9!) USER MOD Single : A 130 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.15) USER MOD Single : A 135 GLN : amide:sc= 0.0113 K(o=0.011,f=-3.9!) USER MOD Single : A 139 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.41) USER MOD Single : A 141 SER OG : rot -2:sc= 0.459 USER MOD Single : A 144 THR OG1 : rot -26:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -3.089 18.164 -4.374 1.00 30.42 N ATOM 137 CA VAL A 9 -4.463 17.690 -4.146 1.00 2.22 C ATOM 138 C VAL A 9 -4.940 17.954 -2.707 1.00 71.33 C ATOM 139 O VAL A 9 -6.118 18.237 -2.477 1.00 71.21 O ATOM 140 CB VAL A 9 -4.606 16.178 -4.471 1.00 71.55 C ATOM 141 CG1 VAL A 9 -3.782 15.322 -3.511 1.00 41.14 C ATOM 142 CG2 VAL A 9 -6.076 15.754 -4.461 1.00 75.25 C ATOM 0 HA VAL A 9 -5.096 18.261 -4.825 1.00 2.22 H new ATOM 0 HB VAL A 9 -4.214 16.016 -5.475 1.00 71.55 H new ATOM 0 HG11 VAL A 9 -3.904 14.269 -3.766 1.00 41.14 H new ATOM 0 HG12 VAL A 9 -2.730 15.595 -3.592 1.00 41.14 H new ATOM 0 HG13 VAL A 9 -4.123 15.490 -2.489 1.00 41.14 H new ATOM 0 HG21 VAL A 9 -6.150 14.691 -4.691 1.00 75.25 H new ATOM 0 HG22 VAL A 9 -6.502 15.942 -3.476 1.00 75.25 H new ATOM 0 HG23 VAL A 9 -6.625 16.326 -5.209 1.00 75.25 H new ATOM 152 N SER A 10 -4.025 17.877 -1.741 1.00 20.30 N ATOM 153 CA SER A 10 -4.381 18.044 -0.322 1.00 33.12 C ATOM 154 C SER A 10 -3.191 18.551 0.502 1.00 11.13 C ATOM 155 O SER A 10 -2.052 18.561 0.033 1.00 45.32 O ATOM 156 CB SER A 10 -4.890 16.719 0.265 1.00 11.23 C ATOM 157 OG SER A 10 -5.242 16.863 1.633 1.00 31.11 O ATOM 0 H SER A 10 -3.034 17.701 -1.908 1.00 20.30 H new ATOM 0 HA SER A 10 -5.174 18.790 -0.271 1.00 33.12 H new ATOM 0 HB2 SER A 10 -5.756 16.376 -0.302 1.00 11.23 H new ATOM 0 HB3 SER A 10 -4.120 15.954 0.164 1.00 11.23 H new ATOM 0 HG SER A 10 -5.564 16.005 1.980 1.00 31.11 H new ATOM 163 N GLU A 11 -3.454 18.949 1.744 1.00 45.33 N ATOM 164 CA GLU A 11 -2.412 19.504 2.614 1.00 30.30 C ATOM 165 C GLU A 11 -2.479 18.933 4.037 1.00 73.24 C ATOM 166 O GLU A 11 -3.553 18.610 4.552 1.00 73.00 O ATOM 167 CB GLU A 11 -2.509 21.035 2.671 1.00 72.21 C ATOM 168 CG GLU A 11 -3.866 21.561 3.131 1.00 22.23 C ATOM 169 CD GLU A 11 -3.865 23.067 3.364 1.00 21.02 C ATOM 170 OE1 GLU A 11 -3.706 23.828 2.384 1.00 44.11 O ATOM 171 OE2 GLU A 11 -4.006 23.495 4.533 1.00 52.34 O ATOM 0 H GLU A 11 -4.378 18.899 2.173 1.00 45.33 H new ATOM 0 HA GLU A 11 -1.455 19.215 2.180 1.00 30.30 H new ATOM 0 HB2 GLU A 11 -1.739 21.411 3.344 1.00 72.21 H new ATOM 0 HB3 GLU A 11 -2.292 21.438 1.682 1.00 72.21 H new ATOM 0 HG2 GLU A 11 -4.619 21.314 2.383 1.00 22.23 H new ATOM 0 HG3 GLU A 11 -4.154 21.055 4.053 1.00 22.23 H new ATOM 178 N LEU A 12 -1.310 18.827 4.659 1.00 22.33 N ATOM 179 CA LEU A 12 -1.175 18.344 6.038 1.00 21.13 C ATOM 180 C LEU A 12 -0.321 19.326 6.870 1.00 75.21 C ATOM 181 O LEU A 12 0.454 20.105 6.311 1.00 42.14 O ATOM 182 CB LEU A 12 -0.577 16.916 6.051 1.00 33.14 C ATOM 183 CG LEU A 12 0.202 16.494 4.787 1.00 14.21 C ATOM 184 CD1 LEU A 12 1.441 17.360 4.578 1.00 71.21 C ATOM 185 CD2 LEU A 12 0.583 15.015 4.859 1.00 65.12 C ATOM 0 H LEU A 12 -0.422 19.074 4.223 1.00 22.33 H new ATOM 0 HA LEU A 12 -2.163 18.294 6.496 1.00 21.13 H new ATOM 0 HB2 LEU A 12 0.090 16.831 6.909 1.00 33.14 H new ATOM 0 HB3 LEU A 12 -1.389 16.206 6.207 1.00 33.14 H new ATOM 0 HG LEU A 12 -0.453 16.643 3.929 1.00 14.21 H new ATOM 0 HD11 LEU A 12 1.965 17.035 3.679 1.00 71.21 H new ATOM 0 HD12 LEU A 12 1.142 18.402 4.466 1.00 71.21 H new ATOM 0 HD13 LEU A 12 2.102 17.263 5.439 1.00 71.21 H new ATOM 0 HD21 LEU A 12 1.131 14.736 3.959 1.00 65.12 H new ATOM 0 HD22 LEU A 12 1.210 14.843 5.734 1.00 65.12 H new ATOM 0 HD23 LEU A 12 -0.320 14.410 4.935 1.00 65.12 H new ATOM 197 N PRO A 13 -0.448 19.309 8.216 1.00 41.44 N ATOM 198 CA PRO A 13 0.204 20.305 9.107 1.00 53.03 C ATOM 199 C PRO A 13 1.747 20.190 9.209 1.00 43.15 C ATOM 200 O PRO A 13 2.342 20.671 10.177 1.00 0.54 O ATOM 201 CB PRO A 13 -0.438 20.025 10.484 1.00 11.34 C ATOM 202 CG PRO A 13 -1.613 19.142 10.209 1.00 4.53 C ATOM 203 CD PRO A 13 -1.249 18.349 8.989 1.00 40.21 C ATOM 0 HA PRO A 13 0.051 21.311 8.718 1.00 53.03 H new ATOM 0 HB2 PRO A 13 0.270 19.538 11.154 1.00 11.34 H new ATOM 0 HB3 PRO A 13 -0.749 20.951 10.967 1.00 11.34 H new ATOM 0 HG2 PRO A 13 -1.816 18.486 11.056 1.00 4.53 H new ATOM 0 HG3 PRO A 13 -2.514 19.731 10.038 1.00 4.53 H new ATOM 0 HD2 PRO A 13 -0.679 17.455 9.241 1.00 40.21 H new ATOM 0 HD3 PRO A 13 -2.131 18.021 8.440 1.00 40.21 H new ATOM 211 N PHE A 14 2.391 19.579 8.213 1.00 2.22 N ATOM 212 CA PHE A 14 3.856 19.433 8.203 1.00 1.33 C ATOM 213 C PHE A 14 4.393 19.276 6.767 1.00 11.35 C ATOM 214 O PHE A 14 3.813 18.560 5.958 1.00 73.44 O ATOM 215 CB PHE A 14 4.285 18.240 9.078 1.00 62.25 C ATOM 216 CG PHE A 14 3.498 16.971 8.830 1.00 72.53 C ATOM 217 CD1 PHE A 14 3.858 16.093 7.817 1.00 43.12 C ATOM 218 CD2 PHE A 14 2.396 16.657 9.615 1.00 74.30 C ATOM 219 CE1 PHE A 14 3.139 14.934 7.593 1.00 73.41 C ATOM 220 CE2 PHE A 14 1.676 15.498 9.395 1.00 72.31 C ATOM 221 CZ PHE A 14 2.047 14.636 8.383 1.00 21.54 C ATOM 0 H PHE A 14 1.925 19.176 7.400 1.00 2.22 H new ATOM 0 HA PHE A 14 4.287 20.343 8.621 1.00 1.33 H new ATOM 0 HB2 PHE A 14 5.342 18.038 8.904 1.00 62.25 H new ATOM 0 HB3 PHE A 14 4.182 18.518 10.127 1.00 62.25 H new ATOM 0 HD1 PHE A 14 4.712 16.319 7.195 1.00 43.12 H new ATOM 0 HD2 PHE A 14 2.098 17.327 10.408 1.00 74.30 H new ATOM 0 HE1 PHE A 14 3.432 14.262 6.800 1.00 73.41 H new ATOM 0 HE2 PHE A 14 0.823 15.267 10.015 1.00 72.31 H new ATOM 0 HZ PHE A 14 1.484 13.731 8.210 1.00 21.54 H new ATOM 231 N GLU A 15 5.499 19.954 6.450 1.00 41.32 N ATOM 232 CA GLU A 15 6.064 19.910 5.088 1.00 25.41 C ATOM 233 C GLU A 15 7.444 19.227 5.026 1.00 32.02 C ATOM 234 O GLU A 15 8.157 19.342 4.026 1.00 33.14 O ATOM 235 CB GLU A 15 6.126 21.330 4.481 1.00 11.44 C ATOM 236 CG GLU A 15 6.542 22.438 5.452 1.00 70.52 C ATOM 237 CD GLU A 15 7.931 22.250 6.044 1.00 3.25 C ATOM 238 OE1 GLU A 15 8.924 22.607 5.375 1.00 21.45 O ATOM 239 OE2 GLU A 15 8.034 21.760 7.188 1.00 13.43 O ATOM 0 H GLU A 15 6.020 20.536 7.106 1.00 41.32 H new ATOM 0 HA GLU A 15 5.391 19.295 4.491 1.00 25.41 H new ATOM 0 HB2 GLU A 15 6.826 21.320 3.645 1.00 11.44 H new ATOM 0 HB3 GLU A 15 5.146 21.576 4.073 1.00 11.44 H new ATOM 0 HG2 GLU A 15 6.506 23.395 4.932 1.00 70.52 H new ATOM 0 HG3 GLU A 15 5.816 22.488 6.263 1.00 70.52 H new ATOM 246 N ARG A 16 7.806 18.493 6.074 1.00 70.11 N ATOM 247 CA ARG A 16 9.075 17.744 6.099 1.00 23.14 C ATOM 248 C ARG A 16 8.905 16.378 6.791 1.00 24.52 C ATOM 249 O ARG A 16 8.533 16.302 7.965 1.00 30.23 O ATOM 250 CB ARG A 16 10.167 18.568 6.801 1.00 21.21 C ATOM 251 CG ARG A 16 9.818 18.976 8.229 1.00 63.23 C ATOM 252 CD ARG A 16 10.971 19.699 8.917 1.00 23.31 C ATOM 253 NE ARG A 16 10.701 19.934 10.339 1.00 23.11 N ATOM 254 CZ ARG A 16 11.624 20.114 11.244 1.00 40.00 C ATOM 255 NH1 ARG A 16 12.873 20.171 10.909 1.00 11.41 N ATOM 256 NH2 ARG A 16 11.288 20.263 12.484 1.00 25.33 N ATOM 0 H ARG A 16 7.245 18.396 6.920 1.00 70.11 H new ATOM 0 HA ARG A 16 9.378 17.561 5.068 1.00 23.14 H new ATOM 0 HB2 ARG A 16 11.091 17.990 6.815 1.00 21.21 H new ATOM 0 HB3 ARG A 16 10.362 19.466 6.215 1.00 21.21 H new ATOM 0 HG2 ARG A 16 8.941 19.623 8.217 1.00 63.23 H new ATOM 0 HG3 ARG A 16 9.552 18.089 8.804 1.00 63.23 H new ATOM 0 HD2 ARG A 16 11.882 19.110 8.813 1.00 23.31 H new ATOM 0 HD3 ARG A 16 11.150 20.652 8.419 1.00 23.31 H new ATOM 0 HE ARG A 16 9.727 19.958 10.641 1.00 23.11 H new ATOM 0 HH11 ARG A 16 13.143 20.075 9.930 1.00 11.41 H new ATOM 0 HH12 ARG A 16 13.587 20.312 11.624 1.00 11.41 H new ATOM 0 HH21 ARG A 16 10.304 20.240 12.752 1.00 25.33 H new ATOM 0 HH22 ARG A 16 12.007 20.404 13.194 1.00 25.33 H new ATOM 270 N VAL A 17 9.174 15.293 6.058 1.00 25.01 N ATOM 271 CA VAL A 17 8.994 13.931 6.591 1.00 43.44 C ATOM 272 C VAL A 17 10.137 12.983 6.194 1.00 75.22 C ATOM 273 O VAL A 17 10.883 13.241 5.253 1.00 62.32 O ATOM 274 CB VAL A 17 7.653 13.305 6.121 1.00 61.00 C ATOM 275 CG1 VAL A 17 6.460 14.046 6.717 1.00 40.41 C ATOM 276 CG2 VAL A 17 7.571 13.280 4.595 1.00 44.43 C ATOM 0 H VAL A 17 9.516 15.327 5.098 1.00 25.01 H new ATOM 0 HA VAL A 17 8.992 14.043 7.675 1.00 43.44 H new ATOM 0 HB VAL A 17 7.620 12.277 6.481 1.00 61.00 H new ATOM 0 HG11 VAL A 17 5.535 13.585 6.370 1.00 40.41 H new ATOM 0 HG12 VAL A 17 6.506 13.994 7.805 1.00 40.41 H new ATOM 0 HG13 VAL A 17 6.486 15.089 6.403 1.00 40.41 H new ATOM 0 HG21 VAL A 17 6.623 12.837 4.289 1.00 44.43 H new ATOM 0 HG22 VAL A 17 7.637 14.298 4.210 1.00 44.43 H new ATOM 0 HG23 VAL A 17 8.394 12.687 4.196 1.00 44.43 H new ATOM 286 N TYR A 18 10.255 11.880 6.929 1.00 55.15 N ATOM 287 CA TYR A 18 11.220 10.815 6.628 1.00 42.10 C ATOM 288 C TYR A 18 10.524 9.449 6.714 1.00 71.20 C ATOM 289 O TYR A 18 9.506 9.309 7.390 1.00 71.33 O ATOM 290 CB TYR A 18 12.411 10.879 7.608 1.00 21.52 C ATOM 291 CG TYR A 18 13.427 9.755 7.439 1.00 1.44 C ATOM 292 CD1 TYR A 18 14.368 9.786 6.414 1.00 61.15 C ATOM 293 CD2 TYR A 18 13.444 8.665 8.306 1.00 20.21 C ATOM 294 CE1 TYR A 18 15.289 8.766 6.257 1.00 5.42 C ATOM 295 CE2 TYR A 18 14.362 7.642 8.154 1.00 55.34 C ATOM 296 CZ TYR A 18 15.283 7.697 7.129 1.00 13.11 C ATOM 297 OH TYR A 18 16.200 6.678 6.972 1.00 41.35 O ATOM 0 H TYR A 18 9.684 11.695 7.754 1.00 55.15 H new ATOM 0 HA TYR A 18 11.603 10.954 5.617 1.00 42.10 H new ATOM 0 HB2 TYR A 18 12.920 11.834 7.480 1.00 21.52 H new ATOM 0 HB3 TYR A 18 12.028 10.856 8.628 1.00 21.52 H new ATOM 0 HD1 TYR A 18 14.379 10.621 5.729 1.00 61.15 H new ATOM 0 HD2 TYR A 18 12.727 8.618 9.112 1.00 20.21 H new ATOM 0 HE1 TYR A 18 16.010 8.806 5.454 1.00 5.42 H new ATOM 0 HE2 TYR A 18 14.358 6.804 8.835 1.00 55.34 H new ATOM 0 HH TYR A 18 16.061 6.003 7.669 1.00 41.35 H new ATOM 307 N ILE A 19 11.061 8.446 6.028 1.00 34.31 N ATOM 308 CA ILE A 19 10.469 7.105 6.040 1.00 51.03 C ATOM 309 C ILE A 19 11.538 6.015 6.221 1.00 22.22 C ATOM 310 O ILE A 19 12.662 6.144 5.734 1.00 5.31 O ATOM 311 CB ILE A 19 9.659 6.845 4.745 1.00 42.02 C ATOM 312 CG1 ILE A 19 8.964 5.475 4.805 1.00 50.14 C ATOM 313 CG2 ILE A 19 10.559 6.955 3.513 1.00 11.33 C ATOM 314 CD1 ILE A 19 8.034 5.206 3.642 1.00 41.22 C ATOM 0 H ILE A 19 11.902 8.531 5.457 1.00 34.31 H new ATOM 0 HA ILE A 19 9.792 7.060 6.893 1.00 51.03 H new ATOM 0 HB ILE A 19 8.886 7.609 4.664 1.00 42.02 H new ATOM 0 HG12 ILE A 19 9.724 4.694 4.837 1.00 50.14 H new ATOM 0 HG13 ILE A 19 8.397 5.407 5.734 1.00 50.14 H new ATOM 0 HG21 ILE A 19 9.970 6.769 2.615 1.00 11.33 H new ATOM 0 HG22 ILE A 19 10.989 7.956 3.464 1.00 11.33 H new ATOM 0 HG23 ILE A 19 11.360 6.219 3.581 1.00 11.33 H new ATOM 0 HD11 ILE A 19 7.583 4.220 3.757 1.00 41.22 H new ATOM 0 HD12 ILE A 19 7.251 5.963 3.620 1.00 41.22 H new ATOM 0 HD13 ILE A 19 8.598 5.240 2.710 1.00 41.22 H new ATOM 326 N THR A 20 11.185 4.947 6.936 1.00 62.22 N ATOM 327 CA THR A 20 12.121 3.845 7.201 1.00 32.33 C ATOM 328 C THR A 20 11.428 2.480 7.132 1.00 64.25 C ATOM 329 O THR A 20 10.227 2.357 7.396 1.00 74.13 O ATOM 330 CB THR A 20 12.805 3.989 8.582 1.00 22.03 C ATOM 331 OG1 THR A 20 13.675 2.872 8.826 1.00 44.40 O ATOM 332 CG2 THR A 20 11.773 4.087 9.702 1.00 3.24 C ATOM 0 H THR A 20 10.259 4.818 7.344 1.00 62.22 H new ATOM 0 HA THR A 20 12.879 3.901 6.420 1.00 32.33 H new ATOM 0 HB THR A 20 13.390 4.909 8.569 1.00 22.03 H new ATOM 0 HG1 THR A 20 14.103 2.976 9.702 1.00 44.40 H new ATOM 0 HG21 THR A 20 12.284 4.187 10.660 1.00 3.24 H new ATOM 0 HG22 THR A 20 11.138 4.957 9.537 1.00 3.24 H new ATOM 0 HG23 THR A 20 11.159 3.186 9.711 1.00 3.24 H new ATOM 340 N ALA A 21 12.199 1.459 6.773 1.00 23.24 N ATOM 341 CA ALA A 21 11.694 0.090 6.666 1.00 72.22 C ATOM 342 C ALA A 21 12.745 -0.926 7.139 1.00 20.23 C ATOM 343 O ALA A 21 13.920 -0.816 6.783 1.00 62.13 O ATOM 344 CB ALA A 21 11.289 -0.201 5.224 1.00 23.22 C ATOM 0 H ALA A 21 13.189 1.554 6.548 1.00 23.24 H new ATOM 0 HA ALA A 21 10.821 -0.006 7.311 1.00 72.22 H new ATOM 0 HB1 ALA A 21 10.914 -1.222 5.150 1.00 23.22 H new ATOM 0 HB2 ALA A 21 10.509 0.495 4.918 1.00 23.22 H new ATOM 0 HB3 ALA A 21 12.155 -0.085 4.572 1.00 23.22 H new ATOM 350 N PRO A 22 12.338 -1.950 7.922 1.00 22.43 N ATOM 351 CA PRO A 22 13.267 -2.956 8.480 1.00 73.14 C ATOM 352 C PRO A 22 14.179 -3.582 7.411 1.00 4.11 C ATOM 353 O PRO A 22 15.404 -3.582 7.540 1.00 73.45 O ATOM 354 CB PRO A 22 12.326 -4.020 9.092 1.00 31.42 C ATOM 355 CG PRO A 22 10.971 -3.713 8.534 1.00 73.23 C ATOM 356 CD PRO A 22 10.951 -2.228 8.321 1.00 34.52 C ATOM 0 HA PRO A 22 13.954 -2.514 9.202 1.00 73.14 H new ATOM 0 HB2 PRO A 22 12.643 -5.028 8.823 1.00 31.42 H new ATOM 0 HB3 PRO A 22 12.325 -3.966 10.181 1.00 31.42 H new ATOM 0 HG2 PRO A 22 10.802 -4.246 7.598 1.00 73.23 H new ATOM 0 HG3 PRO A 22 10.184 -4.021 9.223 1.00 73.23 H new ATOM 0 HD2 PRO A 22 10.240 -1.938 7.548 1.00 34.52 H new ATOM 0 HD3 PRO A 22 10.673 -1.691 9.228 1.00 34.52 H new ATOM 364 N ALA A 23 13.569 -4.102 6.349 1.00 61.05 N ATOM 365 CA ALA A 23 14.315 -4.737 5.256 1.00 31.05 C ATOM 366 C ALA A 23 14.466 -3.803 4.042 1.00 34.33 C ATOM 367 O ALA A 23 14.913 -4.227 2.974 1.00 43.32 O ATOM 368 CB ALA A 23 13.620 -6.032 4.848 1.00 15.31 C ATOM 0 H ALA A 23 12.557 -4.098 6.218 1.00 61.05 H new ATOM 0 HA ALA A 23 15.319 -4.958 5.617 1.00 31.05 H new ATOM 0 HB1 ALA A 23 14.175 -6.503 4.036 1.00 15.31 H new ATOM 0 HB2 ALA A 23 13.582 -6.709 5.702 1.00 15.31 H new ATOM 0 HB3 ALA A 23 12.606 -5.811 4.514 1.00 15.31 H new ATOM 374 N GLY A 24 14.115 -2.527 4.219 1.00 32.34 N ATOM 375 CA GLY A 24 14.133 -1.576 3.107 1.00 21.34 C ATOM 376 C GLY A 24 13.205 -1.991 1.967 1.00 55.24 C ATOM 377 O GLY A 24 13.652 -2.234 0.845 1.00 55.24 O ATOM 0 H GLY A 24 13.818 -2.132 5.112 1.00 32.34 H new ATOM 0 HA2 GLY A 24 13.839 -0.591 3.470 1.00 21.34 H new ATOM 0 HA3 GLY A 24 15.151 -1.485 2.728 1.00 21.34 H new ATOM 381 N LEU A 25 11.906 -2.069 2.252 1.00 40.41 N ATOM 382 CA LEU A 25 10.926 -2.560 1.274 1.00 62.31 C ATOM 383 C LEU A 25 10.588 -1.491 0.219 1.00 41.23 C ATOM 384 O LEU A 25 10.548 -0.296 0.522 1.00 71.52 O ATOM 385 CB LEU A 25 9.630 -3.014 1.972 1.00 51.35 C ATOM 386 CG LEU A 25 9.765 -4.144 3.015 1.00 11.34 C ATOM 387 CD1 LEU A 25 10.348 -3.620 4.325 1.00 44.13 C ATOM 388 CD2 LEU A 25 8.410 -4.810 3.258 1.00 63.33 C ATOM 0 H LEU A 25 11.504 -1.800 3.150 1.00 40.41 H new ATOM 0 HA LEU A 25 11.383 -3.412 0.771 1.00 62.31 H new ATOM 0 HB2 LEU A 25 9.187 -2.148 2.464 1.00 51.35 H new ATOM 0 HB3 LEU A 25 8.927 -3.340 1.206 1.00 51.35 H new ATOM 0 HG LEU A 25 10.454 -4.889 2.617 1.00 11.34 H new ATOM 0 HD11 LEU A 25 10.431 -4.439 5.040 1.00 44.13 H new ATOM 0 HD12 LEU A 25 11.336 -3.198 4.141 1.00 44.13 H new ATOM 0 HD13 LEU A 25 9.694 -2.849 4.732 1.00 44.13 H new ATOM 0 HD21 LEU A 25 8.522 -5.604 3.996 1.00 63.33 H new ATOM 0 HD22 LEU A 25 7.701 -4.069 3.628 1.00 63.33 H new ATOM 0 HD23 LEU A 25 8.039 -5.232 2.324 1.00 63.33 H new ATOM 400 N THR A 26 10.318 -1.934 -1.009 1.00 24.31 N ATOM 401 CA THR A 26 9.972 -1.023 -2.116 1.00 23.03 C ATOM 402 C THR A 26 8.724 -0.183 -1.797 1.00 22.31 C ATOM 403 O THR A 26 8.612 0.968 -2.229 1.00 20.42 O ATOM 404 CB THR A 26 9.729 -1.795 -3.435 1.00 13.24 C ATOM 405 OG1 THR A 26 8.687 -2.768 -3.256 1.00 51.13 O ATOM 406 CG2 THR A 26 11.001 -2.494 -3.902 1.00 42.11 C ATOM 0 H THR A 26 10.331 -2.920 -1.269 1.00 24.31 H new ATOM 0 HA THR A 26 10.827 -0.358 -2.239 1.00 23.03 H new ATOM 0 HB THR A 26 9.428 -1.074 -4.195 1.00 13.24 H new ATOM 0 HG1 THR A 26 8.541 -3.249 -4.097 1.00 51.13 H new ATOM 0 HG21 THR A 26 10.802 -3.029 -4.831 1.00 42.11 H new ATOM 0 HG22 THR A 26 11.783 -1.753 -4.070 1.00 42.11 H new ATOM 0 HG23 THR A 26 11.329 -3.200 -3.139 1.00 42.11 H new ATOM 414 N ILE A 27 7.796 -0.766 -1.035 1.00 10.11 N ATOM 415 CA ILE A 27 6.586 -0.061 -0.586 1.00 5.02 C ATOM 416 C ILE A 27 6.936 1.290 0.065 1.00 71.43 C ATOM 417 O ILE A 27 6.201 2.272 -0.064 1.00 2.42 O ATOM 418 CB ILE A 27 5.778 -0.932 0.420 1.00 43.33 C ATOM 419 CG1 ILE A 27 4.474 -0.229 0.849 1.00 42.00 C ATOM 420 CG2 ILE A 27 6.626 -1.284 1.643 1.00 73.22 C ATOM 421 CD1 ILE A 27 3.477 -0.045 -0.276 1.00 45.35 C ATOM 0 H ILE A 27 7.858 -1.732 -0.712 1.00 10.11 H new ATOM 0 HA ILE A 27 5.973 0.126 -1.468 1.00 5.02 H new ATOM 0 HB ILE A 27 5.509 -1.858 -0.089 1.00 43.33 H new ATOM 0 HG12 ILE A 27 4.006 -0.808 1.645 1.00 42.00 H new ATOM 0 HG13 ILE A 27 4.720 0.747 1.267 1.00 42.00 H new ATOM 0 HG21 ILE A 27 6.038 -1.893 2.330 1.00 73.22 H new ATOM 0 HG22 ILE A 27 7.507 -1.842 1.326 1.00 73.22 H new ATOM 0 HG23 ILE A 27 6.938 -0.368 2.145 1.00 73.22 H new ATOM 0 HD11 ILE A 27 2.587 0.456 0.105 1.00 45.35 H new ATOM 0 HD12 ILE A 27 3.925 0.560 -1.064 1.00 45.35 H new ATOM 0 HD13 ILE A 27 3.200 -1.019 -0.680 1.00 45.35 H new ATOM 433 N GLY A 28 8.080 1.333 0.747 1.00 23.42 N ATOM 434 CA GLY A 28 8.533 2.562 1.380 1.00 11.32 C ATOM 435 C GLY A 28 8.940 3.634 0.373 1.00 42.24 C ATOM 436 O GLY A 28 8.502 4.781 0.465 1.00 65.14 O ATOM 0 H GLY A 28 8.703 0.535 0.873 1.00 23.42 H new ATOM 0 HA2 GLY A 28 7.738 2.951 2.016 1.00 11.32 H new ATOM 0 HA3 GLY A 28 9.380 2.340 2.029 1.00 11.32 H new ATOM 440 N SER A 29 9.763 3.260 -0.604 1.00 53.34 N ATOM 441 CA SER A 29 10.238 4.216 -1.613 1.00 42.13 C ATOM 442 C SER A 29 9.096 4.684 -2.526 1.00 24.34 C ATOM 443 O SER A 29 9.150 5.773 -3.100 1.00 41.21 O ATOM 444 CB SER A 29 11.363 3.613 -2.459 1.00 34.44 C ATOM 445 OG SER A 29 11.918 4.587 -3.333 1.00 21.40 O ATOM 0 H SER A 29 10.115 2.310 -0.722 1.00 53.34 H new ATOM 0 HA SER A 29 10.627 5.081 -1.075 1.00 42.13 H new ATOM 0 HB2 SER A 29 12.142 3.218 -1.807 1.00 34.44 H new ATOM 0 HB3 SER A 29 10.978 2.775 -3.040 1.00 34.44 H new ATOM 0 HG SER A 29 12.079 5.417 -2.838 1.00 21.40 H new ATOM 451 N ASP A 30 8.065 3.855 -2.663 1.00 73.22 N ATOM 452 CA ASP A 30 6.875 4.237 -3.425 1.00 0.20 C ATOM 453 C ASP A 30 6.070 5.300 -2.659 1.00 60.04 C ATOM 454 O ASP A 30 5.576 6.268 -3.245 1.00 74.21 O ATOM 455 CB ASP A 30 6.005 3.012 -3.708 1.00 32.13 C ATOM 456 CG ASP A 30 4.893 3.321 -4.691 1.00 32.22 C ATOM 457 OD1 ASP A 30 5.138 3.229 -5.914 1.00 73.33 O ATOM 458 OD2 ASP A 30 3.780 3.674 -4.253 1.00 31.31 O ATOM 0 H ASP A 30 8.027 2.919 -2.260 1.00 73.22 H new ATOM 0 HA ASP A 30 7.194 4.661 -4.377 1.00 0.20 H new ATOM 0 HB2 ASP A 30 6.627 2.209 -4.104 1.00 32.13 H new ATOM 0 HB3 ASP A 30 5.574 2.650 -2.775 1.00 32.13 H new ATOM 463 N LEU A 31 5.961 5.120 -1.339 1.00 40.52 N ATOM 464 CA LEU A 31 5.275 6.091 -0.480 1.00 43.12 C ATOM 465 C LEU A 31 5.947 7.472 -0.560 1.00 1.44 C ATOM 466 O LEU A 31 5.268 8.503 -0.502 1.00 53.44 O ATOM 467 CB LEU A 31 5.230 5.587 0.973 1.00 44.34 C ATOM 468 CG LEU A 31 4.473 6.495 1.961 1.00 33.11 C ATOM 469 CD1 LEU A 31 3.042 6.746 1.490 1.00 24.10 C ATOM 470 CD2 LEU A 31 4.475 5.886 3.361 1.00 4.21 C ATOM 0 H LEU A 31 6.338 4.313 -0.843 1.00 40.52 H new ATOM 0 HA LEU A 31 4.251 6.198 -0.839 1.00 43.12 H new ATOM 0 HB2 LEU A 31 4.767 4.600 0.984 1.00 44.34 H new ATOM 0 HB3 LEU A 31 6.253 5.463 1.329 1.00 44.34 H new ATOM 0 HG LEU A 31 4.990 7.454 1.999 1.00 33.11 H new ATOM 0 HD11 LEU A 31 2.531 7.390 2.206 1.00 24.10 H new ATOM 0 HD12 LEU A 31 3.060 7.231 0.514 1.00 24.10 H new ATOM 0 HD13 LEU A 31 2.512 5.796 1.413 1.00 24.10 H new ATOM 0 HD21 LEU A 31 3.936 6.542 4.044 1.00 4.21 H new ATOM 0 HD22 LEU A 31 3.988 4.911 3.334 1.00 4.21 H new ATOM 0 HD23 LEU A 31 5.503 5.769 3.706 1.00 4.21 H new ATOM 482 N GLU A 32 7.278 7.489 -0.707 1.00 74.02 N ATOM 483 CA GLU A 32 8.014 8.744 -0.941 1.00 2.32 C ATOM 484 C GLU A 32 7.394 9.518 -2.115 1.00 52.12 C ATOM 485 O GLU A 32 7.089 10.709 -2.008 1.00 72.11 O ATOM 486 CB GLU A 32 9.494 8.474 -1.265 1.00 41.23 C ATOM 487 CG GLU A 32 10.271 7.731 -0.183 1.00 23.33 C ATOM 488 CD GLU A 32 11.756 7.629 -0.510 1.00 35.25 C ATOM 489 OE1 GLU A 32 12.144 6.725 -1.281 1.00 74.21 O ATOM 490 OE2 GLU A 32 12.542 8.465 -0.015 1.00 21.30 O ATOM 0 H GLU A 32 7.866 6.656 -0.669 1.00 74.02 H new ATOM 0 HA GLU A 32 7.948 9.332 -0.025 1.00 2.32 H new ATOM 0 HB2 GLU A 32 9.548 7.898 -2.189 1.00 41.23 H new ATOM 0 HB3 GLU A 32 9.988 9.427 -1.455 1.00 41.23 H new ATOM 0 HG2 GLU A 32 10.145 8.244 0.770 1.00 23.33 H new ATOM 0 HG3 GLU A 32 9.857 6.730 -0.063 1.00 23.33 H new ATOM 497 N ARG A 33 7.204 8.811 -3.228 1.00 3.43 N ATOM 498 CA ARG A 33 6.606 9.388 -4.436 1.00 63.31 C ATOM 499 C ARG A 33 5.223 9.979 -4.131 1.00 33.23 C ATOM 500 O ARG A 33 4.938 11.131 -4.448 1.00 25.52 O ATOM 501 CB ARG A 33 6.466 8.313 -5.523 1.00 34.01 C ATOM 502 CG ARG A 33 7.744 7.522 -5.796 1.00 33.52 C ATOM 503 CD ARG A 33 7.503 6.423 -6.826 1.00 41.43 C ATOM 504 NE ARG A 33 8.684 5.591 -7.051 1.00 3.51 N ATOM 505 CZ ARG A 33 8.793 4.729 -8.026 1.00 74.32 C ATOM 506 NH1 ARG A 33 7.837 4.577 -8.888 1.00 61.44 N ATOM 507 NH2 ARG A 33 9.859 4.010 -8.135 1.00 14.30 N ATOM 0 H ARG A 33 7.458 7.827 -3.320 1.00 3.43 H new ATOM 0 HA ARG A 33 7.262 10.183 -4.789 1.00 63.31 H new ATOM 0 HB2 ARG A 33 5.679 7.618 -5.231 1.00 34.01 H new ATOM 0 HB3 ARG A 33 6.143 8.789 -6.449 1.00 34.01 H new ATOM 0 HG2 ARG A 33 8.522 8.196 -6.155 1.00 33.52 H new ATOM 0 HG3 ARG A 33 8.107 7.081 -4.868 1.00 33.52 H new ATOM 0 HD2 ARG A 33 6.678 5.793 -6.493 1.00 41.43 H new ATOM 0 HD3 ARG A 33 7.198 6.876 -7.769 1.00 41.43 H new ATOM 0 HE ARG A 33 9.470 5.690 -6.408 1.00 3.51 H new ATOM 0 HH11 ARG A 33 6.986 5.134 -8.810 1.00 61.44 H new ATOM 0 HH12 ARG A 33 7.935 3.900 -9.645 1.00 61.44 H new ATOM 0 HH21 ARG A 33 10.616 4.115 -7.460 1.00 14.30 H new ATOM 0 HH22 ARG A 33 9.944 3.337 -8.896 1.00 14.30 H new ATOM 521 N VAL A 34 4.376 9.175 -3.497 1.00 33.05 N ATOM 522 CA VAL A 34 3.002 9.578 -3.180 1.00 40.22 C ATOM 523 C VAL A 34 2.942 10.850 -2.317 1.00 14.25 C ATOM 524 O VAL A 34 2.271 11.818 -2.676 1.00 44.24 O ATOM 525 CB VAL A 34 2.242 8.429 -2.474 1.00 73.42 C ATOM 526 CG1 VAL A 34 0.878 8.892 -1.965 1.00 53.21 C ATOM 527 CG2 VAL A 34 2.095 7.242 -3.423 1.00 32.12 C ATOM 0 H VAL A 34 4.615 8.233 -3.189 1.00 33.05 H new ATOM 0 HA VAL A 34 2.519 9.804 -4.131 1.00 40.22 H new ATOM 0 HB VAL A 34 2.823 8.117 -1.606 1.00 73.42 H new ATOM 0 HG11 VAL A 34 0.371 8.061 -1.475 1.00 53.21 H new ATOM 0 HG12 VAL A 34 1.013 9.706 -1.253 1.00 53.21 H new ATOM 0 HG13 VAL A 34 0.276 9.240 -2.804 1.00 53.21 H new ATOM 0 HG21 VAL A 34 1.559 6.438 -2.919 1.00 32.12 H new ATOM 0 HG22 VAL A 34 1.538 7.550 -4.308 1.00 32.12 H new ATOM 0 HG23 VAL A 34 3.083 6.890 -3.721 1.00 32.12 H new ATOM 537 N ILE A 35 3.638 10.849 -1.184 1.00 14.42 N ATOM 538 CA ILE A 35 3.657 12.014 -0.295 1.00 1.13 C ATOM 539 C ILE A 35 4.176 13.266 -1.030 1.00 12.23 C ATOM 540 O ILE A 35 3.530 14.315 -1.025 1.00 22.11 O ATOM 541 CB ILE A 35 4.529 11.748 0.961 1.00 71.11 C ATOM 542 CG1 ILE A 35 4.008 10.519 1.728 1.00 3.22 C ATOM 543 CG2 ILE A 35 4.555 12.975 1.870 1.00 72.13 C ATOM 544 CD1 ILE A 35 4.823 10.175 2.962 1.00 30.03 C ATOM 0 H ILE A 35 4.195 10.060 -0.858 1.00 14.42 H new ATOM 0 HA ILE A 35 2.630 12.193 0.023 1.00 1.13 H new ATOM 0 HB ILE A 35 5.548 11.544 0.633 1.00 71.11 H new ATOM 0 HG12 ILE A 35 2.975 10.699 2.025 1.00 3.22 H new ATOM 0 HG13 ILE A 35 4.002 9.660 1.057 1.00 3.22 H new ATOM 0 HG21 ILE A 35 5.172 12.767 2.744 1.00 72.13 H new ATOM 0 HG22 ILE A 35 4.971 13.822 1.325 1.00 72.13 H new ATOM 0 HG23 ILE A 35 3.540 13.212 2.190 1.00 72.13 H new ATOM 0 HD11 ILE A 35 4.394 9.299 3.448 1.00 30.03 H new ATOM 0 HD12 ILE A 35 5.852 9.962 2.671 1.00 30.03 H new ATOM 0 HD13 ILE A 35 4.809 11.017 3.654 1.00 30.03 H new ATOM 556 N SER A 36 5.321 13.128 -1.695 1.00 61.44 N ATOM 557 CA SER A 36 5.960 14.253 -2.403 1.00 14.32 C ATOM 558 C SER A 36 5.089 14.809 -3.545 1.00 12.25 C ATOM 559 O SER A 36 5.047 16.022 -3.770 1.00 61.14 O ATOM 560 CB SER A 36 7.323 13.814 -2.965 1.00 41.25 C ATOM 561 OG SER A 36 7.983 14.877 -3.641 1.00 23.44 O ATOM 0 H SER A 36 5.833 12.248 -1.763 1.00 61.44 H new ATOM 0 HA SER A 36 6.091 15.052 -1.674 1.00 14.32 H new ATOM 0 HB2 SER A 36 7.953 13.454 -2.151 1.00 41.25 H new ATOM 0 HB3 SER A 36 7.181 12.979 -3.651 1.00 41.25 H new ATOM 0 HG SER A 36 8.846 14.562 -3.983 1.00 23.44 H new ATOM 567 N THR A 37 4.391 13.927 -4.261 1.00 0.25 N ATOM 568 CA THR A 37 3.618 14.331 -5.452 1.00 34.34 C ATOM 569 C THR A 37 2.162 14.707 -5.136 1.00 11.41 C ATOM 570 O THR A 37 1.539 15.455 -5.886 1.00 21.34 O ATOM 571 CB THR A 37 3.597 13.219 -6.525 1.00 21.43 C ATOM 572 OG1 THR A 37 2.960 12.042 -6.004 1.00 70.32 O ATOM 573 CG2 THR A 37 5.009 12.875 -6.989 1.00 64.24 C ATOM 0 H THR A 37 4.340 12.932 -4.044 1.00 0.25 H new ATOM 0 HA THR A 37 4.134 15.214 -5.827 1.00 34.34 H new ATOM 0 HB THR A 37 3.033 13.589 -7.381 1.00 21.43 H new ATOM 0 HG1 THR A 37 3.638 11.444 -5.626 1.00 70.32 H new ATOM 0 HG21 THR A 37 4.963 12.090 -7.744 1.00 64.24 H new ATOM 0 HG22 THR A 37 5.478 13.762 -7.416 1.00 64.24 H new ATOM 0 HG23 THR A 37 5.597 12.527 -6.139 1.00 64.24 H new ATOM 581 N HIS A 38 1.606 14.172 -4.050 1.00 75.13 N ATOM 582 CA HIS A 38 0.198 14.427 -3.708 1.00 45.53 C ATOM 583 C HIS A 38 0.034 15.503 -2.619 1.00 40.40 C ATOM 584 O HIS A 38 -0.978 16.202 -2.582 1.00 63.01 O ATOM 585 CB HIS A 38 -0.493 13.126 -3.270 1.00 23.54 C ATOM 586 CG HIS A 38 -0.631 12.113 -4.371 1.00 52.35 C ATOM 587 ND1 HIS A 38 0.241 11.194 -4.856 1.00 32.23 N flip ATOM 588 CD2 HIS A 38 -1.787 11.953 -5.105 1.00 25.02 C flip ATOM 589 CE1 HIS A 38 -0.403 10.509 -5.856 1.00 41.42 C flip ATOM 590 NE2 HIS A 38 -1.622 10.984 -5.985 1.00 74.45 N flip ATOM 0 H HIS A 38 2.099 13.565 -3.395 1.00 75.13 H new ATOM 0 HA HIS A 38 -0.278 14.809 -4.611 1.00 45.53 H new ATOM 0 HB2 HIS A 38 0.073 12.683 -2.450 1.00 23.54 H new ATOM 0 HB3 HIS A 38 -1.483 13.364 -2.882 1.00 23.54 H new ATOM 0 HD2 HIS A 38 -2.690 12.532 -4.979 1.00 25.02 H new ATOM 0 HE1 HIS A 38 0.023 9.709 -6.443 1.00 41.42 H new ATOM 0 HE2 HIS A 38 -2.322 10.659 -6.652 1.00 74.45 H new ATOM 599 N THR A 39 1.023 15.639 -1.733 1.00 63.53 N ATOM 600 CA THR A 39 0.935 16.620 -0.632 1.00 64.22 C ATOM 601 C THR A 39 2.132 17.583 -0.618 1.00 41.22 C ATOM 602 O THR A 39 2.943 17.608 -1.546 1.00 0.44 O ATOM 603 CB THR A 39 0.835 15.932 0.756 1.00 1.33 C ATOM 604 OG1 THR A 39 2.082 15.315 1.109 1.00 44.15 O ATOM 605 CG2 THR A 39 -0.280 14.889 0.779 1.00 25.15 C ATOM 0 H THR A 39 1.885 15.094 -1.749 1.00 63.53 H new ATOM 0 HA THR A 39 0.022 17.186 -0.818 1.00 64.22 H new ATOM 0 HB THR A 39 0.601 16.706 1.487 1.00 1.33 H new ATOM 0 HG1 THR A 39 2.519 14.975 0.301 1.00 44.15 H new ATOM 0 HG21 THR A 39 -0.324 14.425 1.764 1.00 25.15 H new ATOM 0 HG22 THR A 39 -1.233 15.371 0.561 1.00 25.15 H new ATOM 0 HG23 THR A 39 -0.080 14.125 0.027 1.00 25.15 H new ATOM 613 N ARG A 40 2.224 18.387 0.440 1.00 1.43 N ATOM 614 CA ARG A 40 3.297 19.380 0.579 1.00 63.22 C ATOM 615 C ARG A 40 4.508 18.809 1.348 1.00 34.45 C ATOM 616 O ARG A 40 5.601 19.379 1.316 1.00 54.52 O ATOM 617 CB ARG A 40 2.744 20.625 1.293 1.00 14.32 C ATOM 618 CG ARG A 40 3.760 21.751 1.494 1.00 72.24 C ATOM 619 CD ARG A 40 4.327 22.265 0.172 1.00 44.24 C ATOM 620 NE ARG A 40 5.218 23.406 0.371 1.00 73.54 N ATOM 621 CZ ARG A 40 6.344 23.592 -0.265 1.00 22.12 C ATOM 622 NH1 ARG A 40 6.781 22.715 -1.113 1.00 12.55 N ATOM 623 NH2 ARG A 40 7.043 24.653 -0.030 1.00 5.43 N ATOM 0 H ARG A 40 1.566 18.372 1.219 1.00 1.43 H new ATOM 0 HA ARG A 40 3.648 19.651 -0.417 1.00 63.22 H new ATOM 0 HB2 ARG A 40 1.902 21.012 0.719 1.00 14.32 H new ATOM 0 HB3 ARG A 40 2.356 20.326 2.267 1.00 14.32 H new ATOM 0 HG2 ARG A 40 3.285 22.574 2.027 1.00 72.24 H new ATOM 0 HG3 ARG A 40 4.576 21.393 2.122 1.00 72.24 H new ATOM 0 HD2 ARG A 40 4.870 21.462 -0.327 1.00 44.24 H new ATOM 0 HD3 ARG A 40 3.508 22.554 -0.487 1.00 44.24 H new ATOM 0 HE ARG A 40 4.941 24.109 1.056 1.00 73.54 H new ATOM 0 HH11 ARG A 40 6.244 21.866 -1.291 1.00 12.55 H new ATOM 0 HH12 ARG A 40 7.662 22.873 -1.602 1.00 12.55 H new ATOM 0 HH21 ARG A 40 6.715 25.340 0.649 1.00 5.43 H new ATOM 0 HH22 ARG A 40 7.923 24.804 -0.523 1.00 5.43 H new ATOM 637 N ALA A 41 4.317 17.671 2.016 1.00 11.43 N ATOM 638 CA ALA A 41 5.373 17.078 2.845 1.00 32.30 C ATOM 639 C ALA A 41 6.542 16.541 1.997 1.00 52.21 C ATOM 640 O ALA A 41 6.418 15.529 1.309 1.00 63.11 O ATOM 641 CB ALA A 41 4.795 15.979 3.727 1.00 52.35 C ATOM 0 H ALA A 41 3.445 17.141 2.001 1.00 11.43 H new ATOM 0 HA ALA A 41 5.776 17.867 3.480 1.00 32.30 H new ATOM 0 HB1 ALA A 41 5.588 15.547 4.337 1.00 52.35 H new ATOM 0 HB2 ALA A 41 4.027 16.399 4.376 1.00 52.35 H new ATOM 0 HB3 ALA A 41 4.356 15.203 3.100 1.00 52.35 H new ATOM 647 N LYS A 42 7.675 17.239 2.052 1.00 52.01 N ATOM 648 CA LYS A 42 8.876 16.838 1.312 1.00 0.22 C ATOM 649 C LYS A 42 9.642 15.741 2.076 1.00 14.34 C ATOM 650 O LYS A 42 10.007 15.921 3.241 1.00 3.32 O ATOM 651 CB LYS A 42 9.765 18.077 1.070 1.00 21.24 C ATOM 652 CG LYS A 42 10.887 17.883 0.040 1.00 22.44 C ATOM 653 CD LYS A 42 12.093 17.134 0.608 1.00 62.41 C ATOM 654 CE LYS A 42 12.767 17.898 1.749 1.00 3.04 C ATOM 655 NZ LYS A 42 13.366 19.181 1.291 1.00 22.14 N ATOM 0 H LYS A 42 7.789 18.089 2.603 1.00 52.01 H new ATOM 0 HA LYS A 42 8.586 16.422 0.347 1.00 0.22 H new ATOM 0 HB2 LYS A 42 9.131 18.901 0.743 1.00 21.24 H new ATOM 0 HB3 LYS A 42 10.211 18.375 2.019 1.00 21.24 H new ATOM 0 HG2 LYS A 42 10.496 17.335 -0.817 1.00 22.44 H new ATOM 0 HG3 LYS A 42 11.210 18.858 -0.326 1.00 22.44 H new ATOM 0 HD2 LYS A 42 11.774 16.156 0.968 1.00 62.41 H new ATOM 0 HD3 LYS A 42 12.818 16.960 -0.188 1.00 62.41 H new ATOM 0 HE2 LYS A 42 12.035 18.100 2.531 1.00 3.04 H new ATOM 0 HE3 LYS A 42 13.543 17.275 2.192 1.00 3.04 H new ATOM 0 HZ1 LYS A 42 13.898 19.614 2.073 1.00 22.14 H new ATOM 0 HZ2 LYS A 42 14.009 18.999 0.494 1.00 22.14 H new ATOM 0 HZ3 LYS A 42 12.611 19.827 0.986 1.00 22.14 H new ATOM 669 N VAL A 43 9.881 14.606 1.417 1.00 14.31 N ATOM 670 CA VAL A 43 10.584 13.478 2.042 1.00 24.11 C ATOM 671 C VAL A 43 12.113 13.672 2.018 1.00 1.11 C ATOM 672 O VAL A 43 12.714 13.870 0.959 1.00 71.10 O ATOM 673 CB VAL A 43 10.227 12.138 1.347 1.00 73.33 C ATOM 674 CG1 VAL A 43 10.887 10.959 2.061 1.00 63.25 C ATOM 675 CG2 VAL A 43 8.711 11.955 1.276 1.00 20.34 C ATOM 0 H VAL A 43 9.599 14.441 0.451 1.00 14.31 H new ATOM 0 HA VAL A 43 10.253 13.443 3.080 1.00 24.11 H new ATOM 0 HB VAL A 43 10.614 12.170 0.328 1.00 73.33 H new ATOM 0 HG11 VAL A 43 10.621 10.031 1.554 1.00 63.25 H new ATOM 0 HG12 VAL A 43 11.970 11.084 2.045 1.00 63.25 H new ATOM 0 HG13 VAL A 43 10.542 10.920 3.094 1.00 63.25 H new ATOM 0 HG21 VAL A 43 8.481 11.009 0.785 1.00 20.34 H new ATOM 0 HG22 VAL A 43 8.297 11.950 2.284 1.00 20.34 H new ATOM 0 HG23 VAL A 43 8.272 12.775 0.708 1.00 20.34 H new ATOM 685 N VAL A 44 12.732 13.617 3.193 1.00 22.32 N ATOM 686 CA VAL A 44 14.188 13.745 3.321 1.00 54.23 C ATOM 687 C VAL A 44 14.861 12.366 3.444 1.00 34.24 C ATOM 688 O VAL A 44 14.211 11.372 3.762 1.00 23.12 O ATOM 689 CB VAL A 44 14.571 14.610 4.551 1.00 55.14 C ATOM 690 CG1 VAL A 44 14.021 16.028 4.410 1.00 10.32 C ATOM 691 CG2 VAL A 44 14.073 13.964 5.841 1.00 32.04 C ATOM 0 H VAL A 44 12.247 13.484 4.080 1.00 22.32 H new ATOM 0 HA VAL A 44 14.544 14.236 2.415 1.00 54.23 H new ATOM 0 HB VAL A 44 15.658 14.671 4.597 1.00 55.14 H new ATOM 0 HG11 VAL A 44 14.302 16.616 5.284 1.00 10.32 H new ATOM 0 HG12 VAL A 44 14.433 16.491 3.513 1.00 10.32 H new ATOM 0 HG13 VAL A 44 12.934 15.991 4.332 1.00 10.32 H new ATOM 0 HG21 VAL A 44 14.352 14.587 6.691 1.00 32.04 H new ATOM 0 HG22 VAL A 44 12.988 13.866 5.804 1.00 32.04 H new ATOM 0 HG23 VAL A 44 14.523 12.977 5.951 1.00 32.04 H new ATOM 701 N ASN A 45 16.169 12.313 3.197 1.00 71.53 N ATOM 702 CA ASN A 45 16.921 11.054 3.286 1.00 31.22 C ATOM 703 C ASN A 45 17.673 10.947 4.631 1.00 65.22 C ATOM 704 O ASN A 45 18.471 10.032 4.844 1.00 52.10 O ATOM 705 CB ASN A 45 17.890 10.945 2.098 1.00 45.53 C ATOM 706 CG ASN A 45 18.333 9.517 1.830 1.00 30.02 C ATOM 707 OD1 ASN A 45 17.674 8.774 1.107 1.00 45.21 O ATOM 708 ND2 ASN A 45 19.449 9.119 2.401 1.00 70.22 N ATOM 0 H ASN A 45 16.732 13.122 2.934 1.00 71.53 H new ATOM 0 HA ASN A 45 16.218 10.222 3.243 1.00 31.22 H new ATOM 0 HB2 ASN A 45 17.410 11.345 1.205 1.00 45.53 H new ATOM 0 HB3 ASN A 45 18.767 11.562 2.292 1.00 45.53 H new ATOM 0 HD21 ASN A 45 19.789 8.170 2.249 1.00 70.22 H new ATOM 0 HD22 ASN A 45 19.974 9.760 2.996 1.00 70.22 H new ATOM 715 N LYS A 46 17.403 11.891 5.539 1.00 34.13 N ATOM 716 CA LYS A 46 17.977 11.864 6.892 1.00 31.51 C ATOM 717 C LYS A 46 17.052 12.579 7.901 1.00 52.41 C ATOM 718 O LYS A 46 16.513 13.653 7.622 1.00 12.41 O ATOM 719 CB LYS A 46 19.395 12.472 6.918 1.00 74.14 C ATOM 720 CG LYS A 46 19.480 13.966 6.589 1.00 33.14 C ATOM 721 CD LYS A 46 19.173 14.267 5.125 1.00 74.51 C ATOM 722 CE LYS A 46 19.357 15.747 4.800 1.00 73.12 C ATOM 723 NZ LYS A 46 20.774 16.181 4.943 1.00 55.43 N ATOM 0 H LYS A 46 16.789 12.686 5.362 1.00 34.13 H new ATOM 0 HA LYS A 46 18.061 10.819 7.191 1.00 31.51 H new ATOM 0 HB2 LYS A 46 19.822 12.311 7.908 1.00 74.14 H new ATOM 0 HB3 LYS A 46 20.018 11.926 6.210 1.00 74.14 H new ATOM 0 HG2 LYS A 46 18.781 14.513 7.222 1.00 33.14 H new ATOM 0 HG3 LYS A 46 20.479 14.330 6.828 1.00 33.14 H new ATOM 0 HD2 LYS A 46 19.825 13.671 4.487 1.00 74.51 H new ATOM 0 HD3 LYS A 46 18.149 13.970 4.900 1.00 74.51 H new ATOM 0 HE2 LYS A 46 19.021 15.938 3.781 1.00 73.12 H new ATOM 0 HE3 LYS A 46 18.727 16.343 5.460 1.00 73.12 H new ATOM 0 HZ1 LYS A 46 20.896 17.118 4.508 1.00 55.43 H new ATOM 0 HZ2 LYS A 46 21.021 16.233 5.952 1.00 55.43 H new ATOM 0 HZ3 LYS A 46 21.396 15.496 4.469 1.00 55.43 H new ATOM 737 N ALA A 47 16.891 11.980 9.080 1.00 51.34 N ATOM 738 CA ALA A 47 15.884 12.411 10.065 1.00 21.05 C ATOM 739 C ALA A 47 16.099 13.842 10.596 1.00 72.11 C ATOM 740 O ALA A 47 15.156 14.468 11.086 1.00 1.00 O ATOM 741 CB ALA A 47 15.845 11.423 11.225 1.00 33.41 C ATOM 0 H ALA A 47 17.451 11.183 9.385 1.00 51.34 H new ATOM 0 HA ALA A 47 14.928 12.426 9.541 1.00 21.05 H new ATOM 0 HB1 ALA A 47 15.099 11.745 11.952 1.00 33.41 H new ATOM 0 HB2 ALA A 47 15.584 10.433 10.851 1.00 33.41 H new ATOM 0 HB3 ALA A 47 16.824 11.384 11.703 1.00 33.41 H new ATOM 747 N GLU A 48 17.324 14.354 10.511 1.00 11.02 N ATOM 748 CA GLU A 48 17.646 15.696 11.033 1.00 34.34 C ATOM 749 C GLU A 48 16.778 16.801 10.404 1.00 31.43 C ATOM 750 O GLU A 48 16.463 17.802 11.049 1.00 45.44 O ATOM 751 CB GLU A 48 19.124 16.019 10.784 1.00 71.22 C ATOM 752 CG GLU A 48 19.491 16.089 9.306 1.00 3.11 C ATOM 753 CD GLU A 48 20.945 16.455 9.072 1.00 60.31 C ATOM 754 OE1 GLU A 48 21.806 15.550 9.108 1.00 34.32 O ATOM 755 OE2 GLU A 48 21.231 17.648 8.844 1.00 73.55 O ATOM 0 H GLU A 48 18.114 13.868 10.088 1.00 11.02 H new ATOM 0 HA GLU A 48 17.436 15.674 12.102 1.00 34.34 H new ATOM 0 HB2 GLU A 48 19.364 16.972 11.255 1.00 71.22 H new ATOM 0 HB3 GLU A 48 19.740 15.261 11.268 1.00 71.22 H new ATOM 0 HG2 GLU A 48 19.285 15.125 8.840 1.00 3.11 H new ATOM 0 HG3 GLU A 48 18.854 16.823 8.814 1.00 3.11 H new ATOM 762 N LYS A 49 16.394 16.615 9.144 1.00 3.20 N ATOM 763 CA LYS A 49 15.657 17.641 8.394 1.00 71.13 C ATOM 764 C LYS A 49 14.153 17.309 8.322 1.00 2.23 C ATOM 765 O LYS A 49 13.415 17.875 7.514 1.00 51.13 O ATOM 766 CB LYS A 49 16.249 17.749 6.976 1.00 52.13 C ATOM 767 CG LYS A 49 15.897 19.038 6.238 1.00 44.14 C ATOM 768 CD LYS A 49 16.544 20.255 6.895 1.00 33.13 C ATOM 769 CE LYS A 49 16.241 21.540 6.132 1.00 54.33 C ATOM 770 NZ LYS A 49 14.791 21.866 6.138 1.00 32.20 N ATOM 0 H LYS A 49 16.579 15.763 8.615 1.00 3.20 H new ATOM 0 HA LYS A 49 15.758 18.595 8.911 1.00 71.13 H new ATOM 0 HB2 LYS A 49 17.334 17.668 7.042 1.00 52.13 H new ATOM 0 HB3 LYS A 49 15.902 16.901 6.386 1.00 52.13 H new ATOM 0 HG2 LYS A 49 16.225 18.966 5.201 1.00 44.14 H new ATOM 0 HG3 LYS A 49 14.815 19.165 6.222 1.00 44.14 H new ATOM 0 HD2 LYS A 49 16.185 20.348 7.920 1.00 33.13 H new ATOM 0 HD3 LYS A 49 17.623 20.109 6.947 1.00 33.13 H new ATOM 0 HE2 LYS A 49 16.799 22.364 6.576 1.00 54.33 H new ATOM 0 HE3 LYS A 49 16.585 21.439 5.103 1.00 54.33 H new ATOM 0 HZ1 LYS A 49 14.646 22.811 5.728 1.00 32.20 H new ATOM 0 HZ2 LYS A 49 14.274 21.161 5.574 1.00 32.20 H new ATOM 0 HZ3 LYS A 49 14.437 21.855 7.116 1.00 32.20 H new ATOM 784 N SER A 50 13.702 16.403 9.187 1.00 21.12 N ATOM 785 CA SER A 50 12.307 15.930 9.159 1.00 13.23 C ATOM 786 C SER A 50 11.512 16.373 10.394 1.00 74.53 C ATOM 787 O SER A 50 12.073 16.828 11.389 1.00 2.55 O ATOM 788 CB SER A 50 12.261 14.400 9.061 1.00 73.52 C ATOM 789 OG SER A 50 10.923 13.927 9.090 1.00 42.45 O ATOM 0 H SER A 50 14.275 15.979 9.916 1.00 21.12 H new ATOM 0 HA SER A 50 11.846 16.379 8.279 1.00 13.23 H new ATOM 0 HB2 SER A 50 12.745 14.077 8.139 1.00 73.52 H new ATOM 0 HB3 SER A 50 12.823 13.962 9.886 1.00 73.52 H new ATOM 0 HG SER A 50 10.916 12.979 9.340 1.00 42.45 H new ATOM 795 N GLU A 51 10.190 16.234 10.309 1.00 40.02 N ATOM 796 CA GLU A 51 9.292 16.502 11.440 1.00 22.15 C ATOM 797 C GLU A 51 8.684 15.185 11.954 1.00 55.32 C ATOM 798 O GLU A 51 8.524 14.980 13.161 1.00 75.25 O ATOM 799 CB GLU A 51 8.165 17.460 11.010 1.00 62.34 C ATOM 800 CG GLU A 51 7.444 18.142 12.172 1.00 23.15 C ATOM 801 CD GLU A 51 8.317 19.175 12.867 1.00 45.20 C ATOM 802 OE1 GLU A 51 8.510 20.272 12.300 1.00 51.02 O ATOM 803 OE2 GLU A 51 8.834 18.897 13.965 1.00 1.05 O ATOM 0 H GLU A 51 9.709 15.934 9.461 1.00 40.02 H new ATOM 0 HA GLU A 51 9.868 16.967 12.240 1.00 22.15 H new ATOM 0 HB2 GLU A 51 8.584 18.226 10.358 1.00 62.34 H new ATOM 0 HB3 GLU A 51 7.436 16.904 10.421 1.00 62.34 H new ATOM 0 HG2 GLU A 51 6.539 18.624 11.802 1.00 23.15 H new ATOM 0 HG3 GLU A 51 7.131 17.389 12.895 1.00 23.15 H new ATOM 810 N ALA A 52 8.364 14.288 11.018 1.00 21.33 N ATOM 811 CA ALA A 52 7.756 12.992 11.342 1.00 33.40 C ATOM 812 C ALA A 52 8.410 11.849 10.546 1.00 63.23 C ATOM 813 O ALA A 52 8.999 12.072 9.486 1.00 43.43 O ATOM 814 CB ALA A 52 6.255 13.035 11.070 1.00 21.23 C ATOM 0 H ALA A 52 8.517 14.436 10.021 1.00 21.33 H new ATOM 0 HA ALA A 52 7.923 12.797 12.401 1.00 33.40 H new ATOM 0 HB1 ALA A 52 5.813 12.069 11.314 1.00 21.23 H new ATOM 0 HB2 ALA A 52 5.796 13.809 11.685 1.00 21.23 H new ATOM 0 HB3 ALA A 52 6.082 13.258 10.017 1.00 21.23 H new ATOM 820 N ILE A 53 8.306 10.624 11.061 1.00 65.13 N ATOM 821 CA ILE A 53 8.888 9.446 10.404 1.00 62.23 C ATOM 822 C ILE A 53 7.858 8.320 10.230 1.00 34.55 C ATOM 823 O ILE A 53 7.280 7.827 11.199 1.00 50.33 O ATOM 824 CB ILE A 53 10.110 8.895 11.187 1.00 34.34 C ATOM 825 CG1 ILE A 53 11.252 9.923 11.198 1.00 41.34 C ATOM 826 CG2 ILE A 53 10.588 7.567 10.591 1.00 40.52 C ATOM 827 CD1 ILE A 53 12.499 9.445 11.912 1.00 53.53 C ATOM 0 H ILE A 53 7.822 10.418 11.935 1.00 65.13 H new ATOM 0 HA ILE A 53 9.216 9.782 9.420 1.00 62.23 H new ATOM 0 HB ILE A 53 9.799 8.713 12.216 1.00 34.34 H new ATOM 0 HG12 ILE A 53 11.509 10.178 10.170 1.00 41.34 H new ATOM 0 HG13 ILE A 53 10.900 10.838 11.675 1.00 41.34 H new ATOM 0 HG21 ILE A 53 11.445 7.202 11.157 1.00 40.52 H new ATOM 0 HG22 ILE A 53 9.782 6.835 10.640 1.00 40.52 H new ATOM 0 HG23 ILE A 53 10.878 7.718 9.551 1.00 40.52 H new ATOM 0 HD11 ILE A 53 13.260 10.225 11.877 1.00 53.53 H new ATOM 0 HD12 ILE A 53 12.259 9.218 12.951 1.00 53.53 H new ATOM 0 HD13 ILE A 53 12.877 8.548 11.422 1.00 53.53 H new ATOM 839 N ILE A 54 7.640 7.910 8.984 1.00 53.21 N ATOM 840 CA ILE A 54 6.752 6.786 8.680 1.00 32.43 C ATOM 841 C ILE A 54 7.539 5.468 8.718 1.00 10.41 C ATOM 842 O ILE A 54 8.507 5.290 7.976 1.00 53.23 O ATOM 843 CB ILE A 54 6.071 6.936 7.290 1.00 1.44 C ATOM 844 CG1 ILE A 54 5.174 8.193 7.233 1.00 22.10 C ATOM 845 CG2 ILE A 54 5.254 5.684 6.955 1.00 55.32 C ATOM 846 CD1 ILE A 54 5.932 9.508 7.202 1.00 71.35 C ATOM 0 H ILE A 54 8.067 8.340 8.163 1.00 53.21 H new ATOM 0 HA ILE A 54 5.970 6.779 9.439 1.00 32.43 H new ATOM 0 HB ILE A 54 6.859 7.053 6.546 1.00 1.44 H new ATOM 0 HG12 ILE A 54 4.541 8.132 6.347 1.00 22.10 H new ATOM 0 HG13 ILE A 54 4.512 8.191 8.099 1.00 22.10 H new ATOM 0 HG21 ILE A 54 4.784 5.806 5.979 1.00 55.32 H new ATOM 0 HG22 ILE A 54 5.912 4.815 6.935 1.00 55.32 H new ATOM 0 HG23 ILE A 54 4.484 5.539 7.712 1.00 55.32 H new ATOM 0 HD11 ILE A 54 5.224 10.335 7.162 1.00 71.35 H new ATOM 0 HD12 ILE A 54 6.544 9.597 8.100 1.00 71.35 H new ATOM 0 HD13 ILE A 54 6.574 9.537 6.321 1.00 71.35 H new ATOM 858 N GLN A 55 7.131 4.549 9.587 1.00 41.34 N ATOM 859 CA GLN A 55 7.826 3.265 9.738 1.00 74.11 C ATOM 860 C GLN A 55 6.949 2.111 9.233 1.00 54.42 C ATOM 861 O GLN A 55 5.993 1.712 9.893 1.00 53.34 O ATOM 862 CB GLN A 55 8.223 3.062 11.214 1.00 15.34 C ATOM 863 CG GLN A 55 9.136 1.860 11.477 1.00 21.13 C ATOM 864 CD GLN A 55 8.384 0.569 11.766 1.00 25.21 C ATOM 865 OE1 GLN A 55 7.290 0.576 12.323 1.00 3.41 O ATOM 866 NE2 GLN A 55 8.972 -0.550 11.403 1.00 5.51 N ATOM 0 H GLN A 55 6.324 4.665 10.199 1.00 41.34 H new ATOM 0 HA GLN A 55 8.733 3.275 9.133 1.00 74.11 H new ATOM 0 HB2 GLN A 55 8.723 3.964 11.568 1.00 15.34 H new ATOM 0 HB3 GLN A 55 7.315 2.947 11.807 1.00 15.34 H new ATOM 0 HG2 GLN A 55 9.780 1.708 10.611 1.00 21.13 H new ATOM 0 HG3 GLN A 55 9.786 2.088 12.322 1.00 21.13 H new ATOM 0 HE21 GLN A 55 9.881 -0.522 10.942 1.00 5.51 H new ATOM 0 HE22 GLN A 55 8.519 -1.446 11.583 1.00 5.51 H new ATOM 875 N ILE A 56 7.261 1.595 8.045 1.00 14.44 N ATOM 876 CA ILE A 56 6.491 0.495 7.462 1.00 14.10 C ATOM 877 C ILE A 56 7.030 -0.859 7.954 1.00 51.13 C ATOM 878 O ILE A 56 8.203 -1.186 7.770 1.00 31.33 O ATOM 879 CB ILE A 56 6.475 0.584 5.901 1.00 15.15 C ATOM 880 CG1 ILE A 56 5.515 -0.451 5.268 1.00 64.34 C ATOM 881 CG2 ILE A 56 7.880 0.448 5.319 1.00 73.14 C ATOM 882 CD1 ILE A 56 6.069 -1.861 5.145 1.00 5.43 C ATOM 0 H ILE A 56 8.038 1.919 7.469 1.00 14.44 H new ATOM 0 HA ILE A 56 5.457 0.581 7.796 1.00 14.10 H new ATOM 0 HB ILE A 56 6.098 1.575 5.648 1.00 15.15 H new ATOM 0 HG12 ILE A 56 4.603 -0.487 5.863 1.00 64.34 H new ATOM 0 HG13 ILE A 56 5.234 -0.101 4.275 1.00 64.34 H new ATOM 0 HG21 ILE A 56 7.832 0.514 4.232 1.00 73.14 H new ATOM 0 HG22 ILE A 56 8.512 1.248 5.704 1.00 73.14 H new ATOM 0 HG23 ILE A 56 8.301 -0.516 5.605 1.00 73.14 H new ATOM 0 HD11 ILE A 56 5.319 -2.508 4.690 1.00 5.43 H new ATOM 0 HD12 ILE A 56 6.963 -1.848 4.522 1.00 5.43 H new ATOM 0 HD13 ILE A 56 6.322 -2.240 6.135 1.00 5.43 H new ATOM 894 N VAL A 57 6.163 -1.636 8.596 1.00 73.45 N ATOM 895 CA VAL A 57 6.557 -2.906 9.211 1.00 12.33 C ATOM 896 C VAL A 57 6.736 -4.023 8.164 1.00 61.02 C ATOM 897 O VAL A 57 7.811 -4.610 8.049 1.00 74.21 O ATOM 898 CB VAL A 57 5.510 -3.349 10.264 1.00 43.43 C ATOM 899 CG1 VAL A 57 5.941 -4.637 10.959 1.00 24.23 C ATOM 900 CG2 VAL A 57 5.270 -2.237 11.286 1.00 44.12 C ATOM 0 H VAL A 57 5.175 -1.409 8.706 1.00 73.45 H new ATOM 0 HA VAL A 57 7.518 -2.739 9.698 1.00 12.33 H new ATOM 0 HB VAL A 57 4.573 -3.547 9.744 1.00 43.43 H new ATOM 0 HG11 VAL A 57 5.188 -4.924 11.693 1.00 24.23 H new ATOM 0 HG12 VAL A 57 6.049 -5.431 10.220 1.00 24.23 H new ATOM 0 HG13 VAL A 57 6.895 -4.477 11.462 1.00 24.23 H new ATOM 0 HG21 VAL A 57 4.532 -2.568 12.017 1.00 44.12 H new ATOM 0 HG22 VAL A 57 6.205 -2.003 11.795 1.00 44.12 H new ATOM 0 HG23 VAL A 57 4.902 -1.347 10.776 1.00 44.12 H new ATOM 910 N HIS A 58 5.675 -4.311 7.408 1.00 51.52 N ATOM 911 CA HIS A 58 5.716 -5.363 6.377 1.00 63.32 C ATOM 912 C HIS A 58 4.530 -5.263 5.400 1.00 74.30 C ATOM 913 O HIS A 58 3.455 -4.780 5.760 1.00 0.21 O ATOM 914 CB HIS A 58 5.760 -6.760 7.027 1.00 43.44 C ATOM 915 CG HIS A 58 4.708 -7.002 8.073 1.00 52.32 C ATOM 916 ND1 HIS A 58 5.008 -7.320 9.381 1.00 31.00 N ATOM 917 CD2 HIS A 58 3.354 -6.992 7.999 1.00 40.24 C ATOM 918 CE1 HIS A 58 3.893 -7.495 10.060 1.00 24.31 C ATOM 919 NE2 HIS A 58 2.878 -7.302 9.247 1.00 71.14 N ATOM 0 H HIS A 58 4.776 -3.835 7.486 1.00 51.52 H new ATOM 0 HA HIS A 58 6.628 -5.212 5.800 1.00 63.32 H new ATOM 0 HB2 HIS A 58 5.655 -7.512 6.245 1.00 43.44 H new ATOM 0 HB3 HIS A 58 6.741 -6.904 7.479 1.00 43.44 H new ATOM 0 HD2 HIS A 58 2.761 -6.780 7.121 1.00 40.24 H new ATOM 0 HE1 HIS A 58 3.824 -7.753 11.106 1.00 24.31 H new ATOM 0 HE2 HIS A 58 1.893 -7.372 9.504 1.00 71.14 H new ATOM 928 N ALA A 59 4.736 -5.734 4.169 1.00 14.22 N ATOM 929 CA ALA A 59 3.699 -5.697 3.126 1.00 20.01 C ATOM 930 C ALA A 59 3.576 -7.059 2.421 1.00 62.33 C ATOM 931 O ALA A 59 4.386 -7.401 1.556 1.00 60.24 O ATOM 932 CB ALA A 59 4.005 -4.596 2.113 1.00 25.42 C ATOM 0 H ALA A 59 5.617 -6.149 3.865 1.00 14.22 H new ATOM 0 HA ALA A 59 2.744 -5.478 3.604 1.00 20.01 H new ATOM 0 HB1 ALA A 59 3.229 -4.580 1.347 1.00 25.42 H new ATOM 0 HB2 ALA A 59 4.033 -3.632 2.621 1.00 25.42 H new ATOM 0 HB3 ALA A 59 4.971 -4.789 1.647 1.00 25.42 H new ATOM 938 N ILE A 60 2.563 -7.839 2.800 1.00 41.33 N ATOM 939 CA ILE A 60 2.388 -9.201 2.268 1.00 44.50 C ATOM 940 C ILE A 60 1.307 -9.259 1.175 1.00 44.40 C ATOM 941 O ILE A 60 0.139 -8.948 1.419 1.00 22.21 O ATOM 942 CB ILE A 60 2.026 -10.224 3.390 1.00 30.51 C ATOM 943 CG1 ILE A 60 3.198 -10.411 4.378 1.00 55.24 C ATOM 944 CG2 ILE A 60 1.623 -11.576 2.790 1.00 24.53 C ATOM 945 CD1 ILE A 60 3.464 -9.219 5.275 1.00 5.12 C ATOM 0 H ILE A 60 1.850 -7.556 3.472 1.00 41.33 H new ATOM 0 HA ILE A 60 3.349 -9.474 1.833 1.00 44.50 H new ATOM 0 HB ILE A 60 1.176 -9.818 3.939 1.00 30.51 H new ATOM 0 HG12 ILE A 60 2.994 -11.281 5.003 1.00 55.24 H new ATOM 0 HG13 ILE A 60 4.102 -10.631 3.811 1.00 55.24 H new ATOM 0 HG21 ILE A 60 1.376 -12.271 3.592 1.00 24.53 H new ATOM 0 HG22 ILE A 60 0.755 -11.443 2.144 1.00 24.53 H new ATOM 0 HG23 ILE A 60 2.452 -11.976 2.206 1.00 24.53 H new ATOM 0 HD11 ILE A 60 4.303 -9.440 5.935 1.00 5.12 H new ATOM 0 HD12 ILE A 60 3.703 -8.349 4.663 1.00 5.12 H new ATOM 0 HD13 ILE A 60 2.577 -9.009 5.873 1.00 5.12 H new ATOM 957 N ARG A 61 1.708 -9.661 -0.032 1.00 41.43 N ATOM 958 CA ARG A 61 0.761 -9.923 -1.126 1.00 52.52 C ATOM 959 C ARG A 61 0.590 -11.436 -1.353 1.00 11.01 C ATOM 960 O ARG A 61 1.514 -12.215 -1.112 1.00 2.20 O ATOM 961 CB ARG A 61 1.208 -9.214 -2.427 1.00 11.14 C ATOM 962 CG ARG A 61 2.715 -9.269 -2.723 1.00 71.31 C ATOM 963 CD ARG A 61 3.215 -10.678 -3.053 1.00 75.24 C ATOM 964 NE ARG A 61 2.576 -11.232 -4.247 1.00 60.04 N ATOM 965 CZ ARG A 61 2.257 -12.495 -4.395 1.00 14.43 C ATOM 966 NH1 ARG A 61 2.444 -13.343 -3.432 1.00 31.42 N ATOM 967 NH2 ARG A 61 1.727 -12.904 -5.497 1.00 64.10 N ATOM 0 H ARG A 61 2.685 -9.814 -0.281 1.00 41.43 H new ATOM 0 HA ARG A 61 -0.208 -9.515 -0.838 1.00 52.52 H new ATOM 0 HB2 ARG A 61 0.674 -9.660 -3.266 1.00 11.14 H new ATOM 0 HB3 ARG A 61 0.903 -8.169 -2.374 1.00 11.14 H new ATOM 0 HG2 ARG A 61 2.939 -8.606 -3.559 1.00 71.31 H new ATOM 0 HG3 ARG A 61 3.262 -8.889 -1.860 1.00 71.31 H new ATOM 0 HD2 ARG A 61 4.295 -10.652 -3.201 1.00 75.24 H new ATOM 0 HD3 ARG A 61 3.025 -11.336 -2.205 1.00 75.24 H new ATOM 0 HE ARG A 61 2.365 -10.594 -5.014 1.00 60.04 H new ATOM 0 HH11 ARG A 61 2.843 -13.030 -2.547 1.00 31.42 H new ATOM 0 HH12 ARG A 61 2.192 -14.323 -3.559 1.00 31.42 H new ATOM 0 HH21 ARG A 61 1.555 -12.244 -6.256 1.00 64.10 H new ATOM 0 HH22 ARG A 61 1.480 -13.887 -5.610 1.00 64.10 H new ATOM 981 N GLU A 62 -0.591 -11.849 -1.813 1.00 54.10 N ATOM 982 CA GLU A 62 -0.865 -13.273 -2.061 1.00 21.14 C ATOM 983 C GLU A 62 -2.115 -13.455 -2.947 1.00 40.25 C ATOM 984 O GLU A 62 -3.061 -12.671 -2.867 1.00 3.34 O ATOM 985 CB GLU A 62 -1.053 -14.017 -0.719 1.00 12.41 C ATOM 986 CG GLU A 62 -0.310 -15.351 -0.620 1.00 61.33 C ATOM 987 CD GLU A 62 -0.749 -16.366 -1.661 1.00 73.42 C ATOM 988 OE1 GLU A 62 -0.164 -16.385 -2.766 1.00 64.25 O ATOM 989 OE2 GLU A 62 -1.675 -17.157 -1.378 1.00 72.24 O ATOM 0 H GLU A 62 -1.371 -11.226 -2.022 1.00 54.10 H new ATOM 0 HA GLU A 62 -0.011 -13.695 -2.591 1.00 21.14 H new ATOM 0 HB2 GLU A 62 -0.718 -13.369 0.091 1.00 12.41 H new ATOM 0 HB3 GLU A 62 -2.117 -14.196 -0.564 1.00 12.41 H new ATOM 0 HG2 GLU A 62 0.760 -15.171 -0.727 1.00 61.33 H new ATOM 0 HG3 GLU A 62 -0.464 -15.771 0.374 1.00 61.33 H new ATOM 996 N LYS A 63 -2.112 -14.490 -3.790 1.00 24.12 N ATOM 997 CA LYS A 63 -3.270 -14.800 -4.644 1.00 25.24 C ATOM 998 C LYS A 63 -4.037 -16.027 -4.113 1.00 73.22 C ATOM 999 O LYS A 63 -3.632 -17.174 -4.317 1.00 14.20 O ATOM 1000 CB LYS A 63 -2.839 -15.013 -6.111 1.00 15.25 C ATOM 1001 CG LYS A 63 -1.686 -15.999 -6.303 1.00 70.42 C ATOM 1002 CD LYS A 63 -1.390 -16.257 -7.782 1.00 2.40 C ATOM 1003 CE LYS A 63 -1.080 -14.970 -8.545 1.00 73.14 C ATOM 1004 NZ LYS A 63 -0.762 -15.232 -9.975 1.00 20.40 N ATOM 0 H LYS A 63 -1.325 -15.129 -3.902 1.00 24.12 H new ATOM 0 HA LYS A 63 -3.943 -13.943 -4.614 1.00 25.24 H new ATOM 0 HB2 LYS A 63 -3.699 -15.366 -6.680 1.00 15.25 H new ATOM 0 HB3 LYS A 63 -2.550 -14.051 -6.534 1.00 15.25 H new ATOM 0 HG2 LYS A 63 -0.791 -15.609 -5.817 1.00 70.42 H new ATOM 0 HG3 LYS A 63 -1.930 -16.941 -5.813 1.00 70.42 H new ATOM 0 HD2 LYS A 63 -0.545 -16.940 -7.867 1.00 2.40 H new ATOM 0 HD3 LYS A 63 -2.246 -16.751 -8.241 1.00 2.40 H new ATOM 0 HE2 LYS A 63 -1.934 -14.296 -8.481 1.00 73.14 H new ATOM 0 HE3 LYS A 63 -0.238 -14.463 -8.073 1.00 73.14 H new ATOM 0 HZ1 LYS A 63 0.095 -14.706 -10.242 1.00 20.40 H new ATOM 0 HZ2 LYS A 63 -0.601 -16.250 -10.114 1.00 20.40 H new ATOM 0 HZ3 LYS A 63 -1.557 -14.923 -10.570 1.00 20.40 H new ATOM 1018 N ARG A 64 -5.142 -15.768 -3.416 1.00 33.01 N ATOM 1019 CA ARG A 64 -5.954 -16.830 -2.804 1.00 54.21 C ATOM 1020 C ARG A 64 -7.111 -17.268 -3.719 1.00 64.11 C ATOM 1021 O ARG A 64 -7.244 -16.797 -4.850 1.00 72.03 O ATOM 1022 CB ARG A 64 -6.533 -16.342 -1.468 1.00 22.54 C ATOM 1023 CG ARG A 64 -5.495 -15.789 -0.498 1.00 43.02 C ATOM 1024 CD ARG A 64 -6.134 -15.382 0.826 1.00 2.33 C ATOM 1025 NE ARG A 64 -6.720 -16.531 1.519 1.00 4.30 N ATOM 1026 CZ ARG A 64 -7.971 -16.616 1.889 1.00 20.51 C ATOM 1027 NH1 ARG A 64 -8.812 -15.671 1.627 1.00 14.01 N ATOM 1028 NH2 ARG A 64 -8.388 -17.664 2.517 1.00 24.44 N ATOM 0 H ARG A 64 -5.501 -14.827 -3.258 1.00 33.01 H new ATOM 0 HA ARG A 64 -5.300 -17.687 -2.644 1.00 54.21 H new ATOM 0 HB2 ARG A 64 -7.275 -15.569 -1.668 1.00 22.54 H new ATOM 0 HB3 ARG A 64 -7.057 -17.169 -0.989 1.00 22.54 H new ATOM 0 HG2 ARG A 64 -4.726 -16.541 -0.317 1.00 43.02 H new ATOM 0 HG3 ARG A 64 -4.999 -14.927 -0.945 1.00 43.02 H new ATOM 0 HD2 ARG A 64 -5.384 -14.916 1.464 1.00 2.33 H new ATOM 0 HD3 ARG A 64 -6.906 -14.635 0.643 1.00 2.33 H new ATOM 0 HE ARG A 64 -6.109 -17.321 1.728 1.00 4.30 H new ATOM 0 HH11 ARG A 64 -8.504 -14.840 1.123 1.00 14.01 H new ATOM 0 HH12 ARG A 64 -9.784 -15.756 1.924 1.00 14.01 H new ATOM 0 HH21 ARG A 64 -7.742 -18.425 2.724 1.00 24.44 H new ATOM 0 HH22 ARG A 64 -9.364 -17.731 2.806 1.00 24.44 H new ATOM 1042 N ILE A 65 -7.941 -18.185 -3.221 1.00 65.05 N ATOM 1043 CA ILE A 65 -9.180 -18.571 -3.903 1.00 14.15 C ATOM 1044 C ILE A 65 -10.408 -17.916 -3.256 1.00 40.35 C ATOM 1045 O ILE A 65 -10.639 -18.040 -2.050 1.00 11.11 O ATOM 1046 CB ILE A 65 -9.367 -20.115 -3.929 1.00 23.22 C ATOM 1047 CG1 ILE A 65 -8.511 -20.737 -5.041 1.00 32.24 C ATOM 1048 CG2 ILE A 65 -10.840 -20.498 -4.108 1.00 14.15 C ATOM 1049 CD1 ILE A 65 -8.888 -20.255 -6.430 1.00 70.41 C ATOM 0 H ILE A 65 -7.778 -18.678 -2.343 1.00 65.05 H new ATOM 0 HA ILE A 65 -9.091 -18.214 -4.929 1.00 14.15 H new ATOM 0 HB ILE A 65 -9.037 -20.508 -2.968 1.00 23.22 H new ATOM 0 HG12 ILE A 65 -7.462 -20.505 -4.856 1.00 32.24 H new ATOM 0 HG13 ILE A 65 -8.609 -21.822 -5.001 1.00 32.24 H new ATOM 0 HG21 ILE A 65 -10.935 -21.584 -4.122 1.00 14.15 H new ATOM 0 HG22 ILE A 65 -11.424 -20.093 -3.281 1.00 14.15 H new ATOM 0 HG23 ILE A 65 -11.210 -20.090 -5.048 1.00 14.15 H new ATOM 0 HD11 ILE A 65 -8.244 -20.733 -7.168 1.00 70.41 H new ATOM 0 HD12 ILE A 65 -9.928 -20.511 -6.634 1.00 70.41 H new ATOM 0 HD13 ILE A 65 -8.763 -19.174 -6.486 1.00 70.41 H new ATOM 1061 N LEU A 66 -11.186 -17.216 -4.071 1.00 73.14 N ATOM 1062 CA LEU A 66 -12.443 -16.614 -3.629 1.00 22.34 C ATOM 1063 C LEU A 66 -13.549 -17.673 -3.512 1.00 44.13 C ATOM 1064 O LEU A 66 -14.180 -17.827 -2.465 1.00 64.34 O ATOM 1065 CB LEU A 66 -12.876 -15.529 -4.622 1.00 45.44 C ATOM 1066 CG LEU A 66 -14.178 -14.790 -4.264 1.00 34.11 C ATOM 1067 CD1 LEU A 66 -13.997 -13.951 -3.000 1.00 32.52 C ATOM 1068 CD2 LEU A 66 -14.651 -13.926 -5.431 1.00 51.24 C ATOM 0 H LEU A 66 -10.968 -17.048 -5.053 1.00 73.14 H new ATOM 0 HA LEU A 66 -12.282 -16.171 -2.646 1.00 22.34 H new ATOM 0 HB2 LEU A 66 -12.073 -14.796 -4.707 1.00 45.44 H new ATOM 0 HB3 LEU A 66 -12.995 -15.986 -5.604 1.00 45.44 H new ATOM 0 HG LEU A 66 -14.947 -15.536 -4.065 1.00 34.11 H new ATOM 0 HD11 LEU A 66 -14.930 -13.438 -2.767 1.00 32.52 H new ATOM 0 HD12 LEU A 66 -13.722 -14.600 -2.169 1.00 32.52 H new ATOM 0 HD13 LEU A 66 -13.209 -13.215 -3.161 1.00 32.52 H new ATOM 0 HD21 LEU A 66 -15.572 -13.414 -5.154 1.00 51.24 H new ATOM 0 HD22 LEU A 66 -13.885 -13.189 -5.672 1.00 51.24 H new ATOM 0 HD23 LEU A 66 -14.834 -14.557 -6.300 1.00 51.24 H new ATOM 1080 N SER A 67 -13.773 -18.407 -4.602 1.00 72.32 N ATOM 1081 CA SER A 67 -14.853 -19.397 -4.658 1.00 25.11 C ATOM 1082 C SER A 67 -14.484 -20.616 -5.513 1.00 2.42 C ATOM 1083 O SER A 67 -13.724 -20.514 -6.484 1.00 24.42 O ATOM 1084 CB SER A 67 -16.136 -18.757 -5.211 1.00 65.33 C ATOM 1085 OG SER A 67 -17.155 -19.726 -5.405 1.00 44.22 O ATOM 0 H SER A 67 -13.223 -18.336 -5.458 1.00 72.32 H new ATOM 0 HA SER A 67 -15.018 -19.742 -3.637 1.00 25.11 H new ATOM 0 HB2 SER A 67 -16.488 -17.989 -4.522 1.00 65.33 H new ATOM 0 HB3 SER A 67 -15.919 -18.261 -6.157 1.00 65.33 H new ATOM 0 HG SER A 67 -17.959 -19.289 -5.756 1.00 44.22 H new ATOM 1091 N LEU A 68 -15.029 -21.767 -5.131 1.00 61.44 N ATOM 1092 CA LEU A 68 -14.882 -23.011 -5.892 1.00 34.51 C ATOM 1093 C LEU A 68 -16.262 -23.558 -6.272 1.00 33.41 C ATOM 1094 O LEU A 68 -17.111 -23.776 -5.401 1.00 74.03 O ATOM 1095 CB LEU A 68 -14.120 -24.065 -5.071 1.00 64.10 C ATOM 1096 CG LEU A 68 -12.666 -23.710 -4.712 1.00 42.25 C ATOM 1097 CD1 LEU A 68 -12.059 -24.768 -3.793 1.00 62.25 C ATOM 1098 CD2 LEU A 68 -11.823 -23.545 -5.974 1.00 12.44 C ATOM 0 H LEU A 68 -15.587 -21.867 -4.283 1.00 61.44 H new ATOM 0 HA LEU A 68 -14.314 -22.794 -6.797 1.00 34.51 H new ATOM 0 HB2 LEU A 68 -14.669 -24.245 -4.147 1.00 64.10 H new ATOM 0 HB3 LEU A 68 -14.119 -25.002 -5.629 1.00 64.10 H new ATOM 0 HG LEU A 68 -12.672 -22.760 -4.178 1.00 42.25 H new ATOM 0 HD11 LEU A 68 -11.031 -24.495 -3.553 1.00 62.25 H new ATOM 0 HD12 LEU A 68 -12.642 -24.829 -2.874 1.00 62.25 H new ATOM 0 HD13 LEU A 68 -12.070 -25.735 -4.295 1.00 62.25 H new ATOM 0 HD21 LEU A 68 -10.799 -23.294 -5.697 1.00 12.44 H new ATOM 0 HD22 LEU A 68 -11.828 -24.477 -6.540 1.00 12.44 H new ATOM 0 HD23 LEU A 68 -12.239 -22.746 -6.588 1.00 12.44 H new ATOM 1110 N SER A 69 -16.493 -23.778 -7.563 1.00 44.23 N ATOM 1111 CA SER A 69 -17.790 -24.285 -8.036 1.00 44.54 C ATOM 1112 C SER A 69 -17.712 -25.774 -8.380 1.00 65.40 C ATOM 1113 O SER A 69 -16.623 -26.339 -8.500 1.00 31.34 O ATOM 1114 CB SER A 69 -18.276 -23.506 -9.262 1.00 24.53 C ATOM 1115 OG SER A 69 -19.569 -23.941 -9.659 1.00 34.03 O ATOM 0 H SER A 69 -15.808 -23.616 -8.301 1.00 44.23 H new ATOM 0 HA SER A 69 -18.502 -24.147 -7.222 1.00 44.54 H new ATOM 0 HB2 SER A 69 -18.300 -22.440 -9.035 1.00 24.53 H new ATOM 0 HB3 SER A 69 -17.574 -23.640 -10.085 1.00 24.53 H new ATOM 0 HG SER A 69 -19.860 -23.429 -10.442 1.00 34.03 H new ATOM 1121 N GLU A 70 -18.876 -26.408 -8.527 1.00 3.44 N ATOM 1122 CA GLU A 70 -18.960 -27.844 -8.832 1.00 22.31 C ATOM 1123 C GLU A 70 -18.174 -28.686 -7.809 1.00 31.31 C ATOM 1124 O GLU A 70 -17.804 -29.831 -8.083 1.00 61.23 O ATOM 1125 CB GLU A 70 -18.455 -28.110 -10.261 1.00 63.53 C ATOM 1126 CG GLU A 70 -19.272 -27.392 -11.334 1.00 75.11 C ATOM 1127 CD GLU A 70 -18.722 -27.589 -12.738 1.00 21.04 C ATOM 1128 OE1 GLU A 70 -19.079 -28.591 -13.393 1.00 70.12 O ATOM 1129 OE2 GLU A 70 -17.936 -26.732 -13.202 1.00 23.30 O ATOM 0 H GLU A 70 -19.782 -25.949 -8.440 1.00 3.44 H new ATOM 0 HA GLU A 70 -20.006 -28.144 -8.765 1.00 22.31 H new ATOM 0 HB2 GLU A 70 -17.414 -27.795 -10.336 1.00 63.53 H new ATOM 0 HB3 GLU A 70 -18.478 -29.183 -10.453 1.00 63.53 H new ATOM 0 HG2 GLU A 70 -20.300 -27.752 -11.300 1.00 75.11 H new ATOM 0 HG3 GLU A 70 -19.300 -26.326 -11.108 1.00 75.11 H new ATOM 1136 N SER A 71 -17.943 -28.108 -6.624 1.00 14.15 N ATOM 1137 CA SER A 71 -17.196 -28.769 -5.539 1.00 54.42 C ATOM 1138 C SER A 71 -15.725 -29.028 -5.919 1.00 41.23 C ATOM 1139 O SER A 71 -15.102 -29.964 -5.415 1.00 30.23 O ATOM 1140 CB SER A 71 -17.879 -30.091 -5.145 1.00 4.21 C ATOM 1141 OG SER A 71 -17.247 -30.695 -4.026 1.00 12.23 O ATOM 0 H SER A 71 -18.267 -27.170 -6.387 1.00 14.15 H new ATOM 0 HA SER A 71 -17.201 -28.090 -4.686 1.00 54.42 H new ATOM 0 HB2 SER A 71 -18.928 -29.904 -4.914 1.00 4.21 H new ATOM 0 HB3 SER A 71 -17.857 -30.778 -5.991 1.00 4.21 H new ATOM 0 HG SER A 71 -16.274 -30.645 -4.133 1.00 12.23 H new ATOM 1147 N GLY A 72 -15.160 -28.189 -6.790 1.00 32.34 N ATOM 1148 CA GLY A 72 -13.762 -28.369 -7.177 1.00 14.33 C ATOM 1149 C GLY A 72 -13.231 -27.323 -8.160 1.00 32.45 C ATOM 1150 O GLY A 72 -12.092 -26.866 -8.026 1.00 74.42 O ATOM 0 H GLY A 72 -15.634 -27.400 -7.229 1.00 32.34 H new ATOM 0 HA2 GLY A 72 -13.145 -28.350 -6.279 1.00 14.33 H new ATOM 0 HA3 GLY A 72 -13.647 -29.357 -7.622 1.00 14.33 H new ATOM 1154 N ARG A 73 -14.037 -26.949 -9.154 1.00 3.40 N ATOM 1155 CA ARG A 73 -13.589 -26.031 -10.207 1.00 35.15 C ATOM 1156 C ARG A 73 -13.246 -24.629 -9.666 1.00 34.00 C ATOM 1157 O ARG A 73 -14.044 -24.005 -8.963 1.00 40.21 O ATOM 1158 CB ARG A 73 -14.651 -25.920 -11.309 1.00 63.12 C ATOM 1159 CG ARG A 73 -14.192 -25.150 -12.550 1.00 42.34 C ATOM 1160 CD ARG A 73 -13.105 -25.893 -13.333 1.00 45.42 C ATOM 1161 NE ARG A 73 -11.807 -25.907 -12.646 1.00 63.21 N ATOM 1162 CZ ARG A 73 -10.687 -25.467 -13.161 1.00 45.03 C ATOM 1163 NH1 ARG A 73 -10.638 -25.033 -14.377 1.00 22.21 N ATOM 1164 NH2 ARG A 73 -9.602 -25.498 -12.462 1.00 30.34 N ATOM 0 H ARG A 73 -15.001 -27.265 -9.254 1.00 3.40 H new ATOM 0 HA ARG A 73 -12.673 -26.452 -10.621 1.00 35.15 H new ATOM 0 HB2 ARG A 73 -14.953 -26.923 -11.609 1.00 63.12 H new ATOM 0 HB3 ARG A 73 -15.534 -25.431 -10.898 1.00 63.12 H new ATOM 0 HG2 ARG A 73 -15.048 -24.974 -13.201 1.00 42.34 H new ATOM 0 HG3 ARG A 73 -13.814 -24.173 -12.248 1.00 42.34 H new ATOM 0 HD2 ARG A 73 -13.428 -26.919 -13.507 1.00 45.42 H new ATOM 0 HD3 ARG A 73 -12.987 -25.426 -14.311 1.00 45.42 H new ATOM 0 HE ARG A 73 -11.776 -26.287 -11.700 1.00 63.21 H new ATOM 0 HH11 ARG A 73 -11.481 -25.030 -14.952 1.00 22.21 H new ATOM 0 HH12 ARG A 73 -9.757 -24.694 -14.762 1.00 22.21 H new ATOM 0 HH21 ARG A 73 -9.619 -25.865 -11.510 1.00 30.34 H new ATOM 0 HH22 ARG A 73 -8.728 -25.156 -12.861 1.00 30.34 H new ATOM 1178 N VAL A 74 -12.049 -24.150 -10.005 1.00 44.21 N ATOM 1179 CA VAL A 74 -11.604 -22.803 -9.635 1.00 35.12 C ATOM 1180 C VAL A 74 -12.438 -21.715 -10.334 1.00 42.53 C ATOM 1181 O VAL A 74 -12.577 -21.713 -11.557 1.00 12.01 O ATOM 1182 CB VAL A 74 -10.105 -22.597 -9.985 1.00 61.44 C ATOM 1183 CG1 VAL A 74 -9.675 -21.150 -9.745 1.00 2.42 C ATOM 1184 CG2 VAL A 74 -9.225 -23.564 -9.189 1.00 70.13 C ATOM 0 H VAL A 74 -11.362 -24.680 -10.541 1.00 44.21 H new ATOM 0 HA VAL A 74 -11.742 -22.712 -8.558 1.00 35.12 H new ATOM 0 HB VAL A 74 -9.977 -22.811 -11.046 1.00 61.44 H new ATOM 0 HG11 VAL A 74 -8.621 -21.037 -9.999 1.00 2.42 H new ATOM 0 HG12 VAL A 74 -10.272 -20.485 -10.369 1.00 2.42 H new ATOM 0 HG13 VAL A 74 -9.825 -20.895 -8.696 1.00 2.42 H new ATOM 0 HG21 VAL A 74 -8.179 -23.403 -9.450 1.00 70.13 H new ATOM 0 HG22 VAL A 74 -9.364 -23.389 -8.122 1.00 70.13 H new ATOM 0 HG23 VAL A 74 -9.504 -24.590 -9.428 1.00 70.13 H new ATOM 1194 N ARG A 75 -12.991 -20.796 -9.545 1.00 32.24 N ATOM 1195 CA ARG A 75 -13.773 -19.677 -10.084 1.00 64.55 C ATOM 1196 C ARG A 75 -12.946 -18.390 -10.202 1.00 24.31 C ATOM 1197 O ARG A 75 -12.651 -17.918 -11.299 1.00 43.43 O ATOM 1198 CB ARG A 75 -14.999 -19.401 -9.200 1.00 42.33 C ATOM 1199 CG ARG A 75 -16.181 -20.330 -9.454 1.00 52.23 C ATOM 1200 CD ARG A 75 -17.402 -19.904 -8.642 1.00 61.55 C ATOM 1201 NE ARG A 75 -17.635 -18.458 -8.720 1.00 41.10 N ATOM 1202 CZ ARG A 75 -18.812 -17.903 -8.807 1.00 61.43 C ATOM 1203 NH1 ARG A 75 -19.877 -18.619 -8.963 1.00 25.24 N ATOM 1204 NH2 ARG A 75 -18.914 -16.617 -8.785 1.00 14.41 N ATOM 0 H ARG A 75 -12.914 -20.801 -8.528 1.00 32.24 H new ATOM 0 HA ARG A 75 -14.089 -19.973 -11.084 1.00 64.55 H new ATOM 0 HB2 ARG A 75 -14.704 -19.486 -8.154 1.00 42.33 H new ATOM 0 HB3 ARG A 75 -15.321 -18.372 -9.358 1.00 42.33 H new ATOM 0 HG2 ARG A 75 -16.428 -20.327 -10.516 1.00 52.23 H new ATOM 0 HG3 ARG A 75 -15.906 -21.352 -9.194 1.00 52.23 H new ATOM 0 HD2 ARG A 75 -18.282 -20.433 -9.006 1.00 61.55 H new ATOM 0 HD3 ARG A 75 -17.264 -20.194 -7.600 1.00 61.55 H new ATOM 0 HE ARG A 75 -16.820 -17.844 -8.705 1.00 41.10 H new ATOM 0 HH11 ARG A 75 -19.805 -19.635 -9.020 1.00 25.24 H new ATOM 0 HH12 ARG A 75 -20.790 -18.168 -9.029 1.00 25.24 H new ATOM 0 HH21 ARG A 75 -18.077 -16.040 -8.700 1.00 14.41 H new ATOM 0 HH22 ARG A 75 -19.832 -16.177 -8.853 1.00 14.41 H new ATOM 1218 N GLU A 76 -12.584 -17.819 -9.056 1.00 2.11 N ATOM 1219 CA GLU A 76 -11.983 -16.482 -9.016 1.00 73.43 C ATOM 1220 C GLU A 76 -10.864 -16.388 -7.967 1.00 44.12 C ATOM 1221 O GLU A 76 -10.993 -16.907 -6.856 1.00 21.22 O ATOM 1222 CB GLU A 76 -13.080 -15.447 -8.706 1.00 65.35 C ATOM 1223 CG GLU A 76 -14.154 -15.330 -9.791 1.00 33.50 C ATOM 1224 CD GLU A 76 -15.434 -14.666 -9.302 1.00 4.33 C ATOM 1225 OE1 GLU A 76 -15.524 -13.419 -9.332 1.00 43.35 O ATOM 1226 OE2 GLU A 76 -16.367 -15.399 -8.900 1.00 41.33 O ATOM 0 H GLU A 76 -12.695 -18.258 -8.142 1.00 2.11 H new ATOM 0 HA GLU A 76 -11.535 -16.279 -9.989 1.00 73.43 H new ATOM 0 HB2 GLU A 76 -13.559 -15.712 -7.763 1.00 65.35 H new ATOM 0 HB3 GLU A 76 -12.615 -14.472 -8.564 1.00 65.35 H new ATOM 0 HG2 GLU A 76 -13.754 -14.759 -10.629 1.00 33.50 H new ATOM 0 HG3 GLU A 76 -14.390 -16.325 -10.168 1.00 33.50 H new ATOM 1233 N PHE A 77 -9.769 -15.733 -8.337 1.00 54.41 N ATOM 1234 CA PHE A 77 -8.653 -15.471 -7.420 1.00 24.43 C ATOM 1235 C PHE A 77 -8.934 -14.266 -6.511 1.00 33.01 C ATOM 1236 O PHE A 77 -9.516 -13.271 -6.940 1.00 23.35 O ATOM 1237 CB PHE A 77 -7.360 -15.209 -8.216 1.00 61.42 C ATOM 1238 CG PHE A 77 -6.595 -16.444 -8.627 1.00 15.32 C ATOM 1239 CD1 PHE A 77 -7.137 -17.715 -8.479 1.00 70.44 C ATOM 1240 CD2 PHE A 77 -5.320 -16.325 -9.166 1.00 41.21 C ATOM 1241 CE1 PHE A 77 -6.423 -18.836 -8.858 1.00 70.34 C ATOM 1242 CE2 PHE A 77 -4.604 -17.444 -9.546 1.00 41.24 C ATOM 1243 CZ PHE A 77 -5.155 -18.702 -9.392 1.00 24.44 C ATOM 0 H PHE A 77 -9.625 -15.367 -9.278 1.00 54.41 H new ATOM 0 HA PHE A 77 -8.534 -16.356 -6.794 1.00 24.43 H new ATOM 0 HB2 PHE A 77 -7.613 -14.643 -9.113 1.00 61.42 H new ATOM 0 HB3 PHE A 77 -6.704 -14.578 -7.615 1.00 61.42 H new ATOM 0 HD1 PHE A 77 -8.127 -17.828 -8.063 1.00 70.44 H new ATOM 0 HD2 PHE A 77 -4.883 -15.345 -9.290 1.00 41.21 H new ATOM 0 HE1 PHE A 77 -6.856 -19.818 -8.737 1.00 70.34 H new ATOM 0 HE2 PHE A 77 -3.614 -17.336 -9.963 1.00 41.24 H new ATOM 0 HZ PHE A 77 -4.597 -19.578 -9.688 1.00 24.44 H new ATOM 1253 N GLU A 78 -8.516 -14.366 -5.257 1.00 62.24 N ATOM 1254 CA GLU A 78 -8.577 -13.239 -4.326 1.00 72.12 C ATOM 1255 C GLU A 78 -7.169 -12.679 -4.078 1.00 33.31 C ATOM 1256 O GLU A 78 -6.399 -13.228 -3.288 1.00 23.53 O ATOM 1257 CB GLU A 78 -9.212 -13.668 -2.995 1.00 75.30 C ATOM 1258 CG GLU A 78 -9.325 -12.534 -1.979 1.00 52.23 C ATOM 1259 CD GLU A 78 -9.899 -12.989 -0.648 1.00 24.13 C ATOM 1260 OE1 GLU A 78 -9.117 -13.426 0.224 1.00 61.41 O ATOM 1261 OE2 GLU A 78 -11.133 -12.914 -0.471 1.00 44.50 O ATOM 0 H GLU A 78 -8.128 -15.220 -4.856 1.00 62.24 H new ATOM 0 HA GLU A 78 -9.197 -12.461 -4.771 1.00 72.12 H new ATOM 0 HB2 GLU A 78 -10.206 -14.071 -3.189 1.00 75.30 H new ATOM 0 HB3 GLU A 78 -8.620 -14.475 -2.563 1.00 75.30 H new ATOM 0 HG2 GLU A 78 -8.339 -12.100 -1.815 1.00 52.23 H new ATOM 0 HG3 GLU A 78 -9.955 -11.746 -2.390 1.00 52.23 H new ATOM 1268 N LEU A 79 -6.827 -11.603 -4.778 1.00 25.42 N ATOM 1269 CA LEU A 79 -5.520 -10.964 -4.617 1.00 40.12 C ATOM 1270 C LEU A 79 -5.501 -10.106 -3.341 1.00 21.41 C ATOM 1271 O LEU A 79 -6.040 -9.000 -3.316 1.00 53.04 O ATOM 1272 CB LEU A 79 -5.189 -10.103 -5.849 1.00 53.52 C ATOM 1273 CG LEU A 79 -5.289 -10.819 -7.209 1.00 32.32 C ATOM 1274 CD1 LEU A 79 -4.993 -9.852 -8.353 1.00 74.00 C ATOM 1275 CD2 LEU A 79 -4.344 -12.019 -7.260 1.00 74.04 C ATOM 0 H LEU A 79 -7.434 -11.153 -5.463 1.00 25.42 H new ATOM 0 HA LEU A 79 -4.761 -11.741 -4.525 1.00 40.12 H new ATOM 0 HB2 LEU A 79 -5.860 -9.244 -5.861 1.00 53.52 H new ATOM 0 HB3 LEU A 79 -4.177 -9.715 -5.737 1.00 53.52 H new ATOM 0 HG LEU A 79 -6.310 -11.183 -7.326 1.00 32.32 H new ATOM 0 HD11 LEU A 79 -5.069 -10.379 -9.304 1.00 74.00 H new ATOM 0 HD12 LEU A 79 -5.713 -9.034 -8.333 1.00 74.00 H new ATOM 0 HD13 LEU A 79 -3.985 -9.452 -8.240 1.00 74.00 H new ATOM 0 HD21 LEU A 79 -4.431 -12.510 -8.229 1.00 74.04 H new ATOM 0 HD22 LEU A 79 -3.318 -11.681 -7.116 1.00 74.04 H new ATOM 0 HD23 LEU A 79 -4.608 -12.724 -6.472 1.00 74.04 H new ATOM 1287 N VAL A 80 -4.910 -10.642 -2.275 1.00 24.24 N ATOM 1288 CA VAL A 80 -4.847 -9.946 -0.986 1.00 10.41 C ATOM 1289 C VAL A 80 -3.513 -9.198 -0.810 1.00 72.13 C ATOM 1290 O VAL A 80 -2.446 -9.712 -1.153 1.00 32.15 O ATOM 1291 CB VAL A 80 -5.054 -10.932 0.197 1.00 65.11 C ATOM 1292 CG1 VAL A 80 -3.993 -12.034 0.193 1.00 23.25 C ATOM 1293 CG2 VAL A 80 -5.062 -10.186 1.532 1.00 14.44 C ATOM 0 H VAL A 80 -4.465 -11.560 -2.276 1.00 24.24 H new ATOM 0 HA VAL A 80 -5.656 -9.216 -0.982 1.00 10.41 H new ATOM 0 HB VAL A 80 -6.026 -11.408 0.068 1.00 65.11 H new ATOM 0 HG11 VAL A 80 -4.165 -12.708 1.033 1.00 23.25 H new ATOM 0 HG12 VAL A 80 -4.054 -12.594 -0.740 1.00 23.25 H new ATOM 0 HG13 VAL A 80 -3.003 -11.586 0.284 1.00 23.25 H new ATOM 0 HG21 VAL A 80 -5.208 -10.897 2.345 1.00 14.44 H new ATOM 0 HG22 VAL A 80 -4.111 -9.671 1.667 1.00 14.44 H new ATOM 0 HG23 VAL A 80 -5.873 -9.457 1.537 1.00 14.44 H new ATOM 1303 N TYR A 81 -3.588 -7.980 -0.281 1.00 44.21 N ATOM 1304 CA TYR A 81 -2.399 -7.156 -0.045 1.00 20.01 C ATOM 1305 C TYR A 81 -2.473 -6.484 1.337 1.00 0.24 C ATOM 1306 O TYR A 81 -3.149 -5.468 1.516 1.00 62.42 O ATOM 1307 CB TYR A 81 -2.270 -6.102 -1.157 1.00 2.54 C ATOM 1308 CG TYR A 81 -0.947 -5.350 -1.174 1.00 4.50 C ATOM 1309 CD1 TYR A 81 0.258 -6.019 -0.983 1.00 23.10 C ATOM 1310 CD2 TYR A 81 -0.905 -3.975 -1.392 1.00 51.42 C ATOM 1311 CE1 TYR A 81 1.463 -5.342 -1.008 1.00 61.12 C ATOM 1312 CE2 TYR A 81 0.298 -3.294 -1.422 1.00 34.22 C ATOM 1313 CZ TYR A 81 1.477 -3.981 -1.228 1.00 63.03 C ATOM 1314 OH TYR A 81 2.678 -3.307 -1.261 1.00 14.02 O ATOM 0 H TYR A 81 -4.464 -7.537 -0.005 1.00 44.21 H new ATOM 0 HA TYR A 81 -1.516 -7.794 -0.061 1.00 20.01 H new ATOM 0 HB2 TYR A 81 -2.405 -6.593 -2.121 1.00 2.54 H new ATOM 0 HB3 TYR A 81 -3.080 -5.381 -1.050 1.00 2.54 H new ATOM 0 HD1 TYR A 81 0.252 -7.085 -0.812 1.00 23.10 H new ATOM 0 HD2 TYR A 81 -1.827 -3.432 -1.540 1.00 51.42 H new ATOM 0 HE1 TYR A 81 2.389 -5.877 -0.856 1.00 61.12 H new ATOM 0 HE2 TYR A 81 0.314 -2.228 -1.597 1.00 34.22 H new ATOM 0 HH TYR A 81 2.719 -2.752 -2.067 1.00 14.02 H new ATOM 1324 N ARG A 82 -1.793 -7.077 2.321 1.00 10.02 N ATOM 1325 CA ARG A 82 -1.804 -6.568 3.698 1.00 31.55 C ATOM 1326 C ARG A 82 -0.576 -5.690 3.979 1.00 52.31 C ATOM 1327 O ARG A 82 0.549 -6.188 4.067 1.00 70.12 O ATOM 1328 CB ARG A 82 -1.839 -7.733 4.701 1.00 5.53 C ATOM 1329 CG ARG A 82 -2.989 -8.712 4.478 1.00 11.43 C ATOM 1330 CD ARG A 82 -3.072 -9.747 5.599 1.00 1.21 C ATOM 1331 NE ARG A 82 -4.038 -10.808 5.309 1.00 11.33 N ATOM 1332 CZ ARG A 82 -4.910 -11.270 6.166 1.00 75.14 C ATOM 1333 NH1 ARG A 82 -5.013 -10.763 7.352 1.00 42.14 N ATOM 1334 NH2 ARG A 82 -5.687 -12.244 5.830 1.00 2.34 N ATOM 0 H ARG A 82 -1.225 -7.914 2.191 1.00 10.02 H new ATOM 0 HA ARG A 82 -2.701 -5.959 3.815 1.00 31.55 H new ATOM 0 HB2 ARG A 82 -0.896 -8.277 4.643 1.00 5.53 H new ATOM 0 HB3 ARG A 82 -1.911 -7.328 5.710 1.00 5.53 H new ATOM 0 HG2 ARG A 82 -3.929 -8.163 4.419 1.00 11.43 H new ATOM 0 HG3 ARG A 82 -2.856 -9.219 3.523 1.00 11.43 H new ATOM 0 HD2 ARG A 82 -2.088 -10.188 5.756 1.00 1.21 H new ATOM 0 HD3 ARG A 82 -3.350 -9.250 6.528 1.00 1.21 H new ATOM 0 HE ARG A 82 -4.030 -11.215 4.374 1.00 11.33 H new ATOM 0 HH11 ARG A 82 -4.408 -9.990 7.631 1.00 42.14 H new ATOM 0 HH12 ARG A 82 -5.699 -11.136 8.008 1.00 42.14 H new ATOM 0 HH21 ARG A 82 -5.620 -12.652 4.897 1.00 2.34 H new ATOM 0 HH22 ARG A 82 -6.368 -12.606 6.497 1.00 2.34 H new ATOM 1348 N VAL A 83 -0.796 -4.385 4.115 1.00 30.12 N ATOM 1349 CA VAL A 83 0.288 -3.442 4.422 1.00 41.33 C ATOM 1350 C VAL A 83 0.194 -2.937 5.871 1.00 70.44 C ATOM 1351 O VAL A 83 -0.759 -2.251 6.239 1.00 21.21 O ATOM 1352 CB VAL A 83 0.269 -2.226 3.462 1.00 15.31 C ATOM 1353 CG1 VAL A 83 1.432 -1.277 3.754 1.00 54.03 C ATOM 1354 CG2 VAL A 83 0.298 -2.687 2.007 1.00 43.41 C ATOM 0 H VAL A 83 -1.714 -3.951 4.018 1.00 30.12 H new ATOM 0 HA VAL A 83 1.224 -3.986 4.291 1.00 41.33 H new ATOM 0 HB VAL A 83 -0.659 -1.679 3.629 1.00 15.31 H new ATOM 0 HG11 VAL A 83 1.394 -0.433 3.066 1.00 54.03 H new ATOM 0 HG12 VAL A 83 1.356 -0.913 4.779 1.00 54.03 H new ATOM 0 HG13 VAL A 83 2.376 -1.808 3.626 1.00 54.03 H new ATOM 0 HG21 VAL A 83 0.284 -1.818 1.350 1.00 43.41 H new ATOM 0 HG22 VAL A 83 1.205 -3.264 1.826 1.00 43.41 H new ATOM 0 HG23 VAL A 83 -0.574 -3.309 1.805 1.00 43.41 H new ATOM 1364 N ALA A 84 1.188 -3.279 6.688 1.00 11.20 N ATOM 1365 CA ALA A 84 1.228 -2.851 8.091 1.00 73.21 C ATOM 1366 C ALA A 84 2.331 -1.812 8.325 1.00 55.05 C ATOM 1367 O ALA A 84 3.499 -2.045 8.000 1.00 14.23 O ATOM 1368 CB ALA A 84 1.431 -4.057 9.002 1.00 12.42 C ATOM 0 H ALA A 84 1.981 -3.854 6.404 1.00 11.20 H new ATOM 0 HA ALA A 84 0.273 -2.383 8.330 1.00 73.21 H new ATOM 0 HB1 ALA A 84 1.459 -3.728 10.041 1.00 12.42 H new ATOM 0 HB2 ALA A 84 0.608 -4.758 8.866 1.00 12.42 H new ATOM 0 HB3 ALA A 84 2.371 -4.548 8.751 1.00 12.42 H new ATOM 1374 N ALA A 85 1.960 -0.671 8.899 1.00 30.05 N ATOM 1375 CA ALA A 85 2.912 0.416 9.156 1.00 11.21 C ATOM 1376 C ALA A 85 2.539 1.216 10.415 1.00 22.21 C ATOM 1377 O ALA A 85 1.459 1.040 10.983 1.00 63.15 O ATOM 1378 CB ALA A 85 2.990 1.336 7.940 1.00 51.21 C ATOM 0 H ALA A 85 1.005 -0.471 9.197 1.00 30.05 H new ATOM 0 HA ALA A 85 3.891 -0.029 9.334 1.00 11.21 H new ATOM 0 HB1 ALA A 85 3.698 2.141 8.137 1.00 51.21 H new ATOM 0 HB2 ALA A 85 3.322 0.765 7.073 1.00 51.21 H new ATOM 0 HB3 ALA A 85 2.006 1.760 7.741 1.00 51.21 H new ATOM 1384 N ARG A 86 3.443 2.092 10.848 1.00 10.15 N ATOM 1385 CA ARG A 86 3.218 2.930 12.033 1.00 4.31 C ATOM 1386 C ARG A 86 3.592 4.395 11.759 1.00 53.43 C ATOM 1387 O ARG A 86 4.264 4.702 10.771 1.00 53.43 O ATOM 1388 CB ARG A 86 4.026 2.402 13.226 1.00 14.44 C ATOM 1389 CG ARG A 86 3.688 0.966 13.620 1.00 12.03 C ATOM 1390 CD ARG A 86 4.390 0.560 14.907 1.00 62.12 C ATOM 1391 NE ARG A 86 3.978 1.394 16.035 1.00 54.41 N ATOM 1392 CZ ARG A 86 4.744 1.696 17.044 1.00 13.15 C ATOM 1393 NH1 ARG A 86 5.972 1.286 17.090 1.00 35.23 N ATOM 1394 NH2 ARG A 86 4.282 2.421 18.008 1.00 11.25 N ATOM 0 H ARG A 86 4.345 2.243 10.396 1.00 10.15 H new ATOM 0 HA ARG A 86 2.155 2.885 12.272 1.00 4.31 H new ATOM 0 HB2 ARG A 86 5.088 2.462 12.987 1.00 14.44 H new ATOM 0 HB3 ARG A 86 3.855 3.053 14.084 1.00 14.44 H new ATOM 0 HG2 ARG A 86 2.610 0.866 13.746 1.00 12.03 H new ATOM 0 HG3 ARG A 86 3.979 0.289 12.817 1.00 12.03 H new ATOM 0 HD2 ARG A 86 4.170 -0.485 15.127 1.00 62.12 H new ATOM 0 HD3 ARG A 86 5.469 0.637 14.773 1.00 62.12 H new ATOM 0 HE ARG A 86 3.027 1.764 16.031 1.00 54.41 H new ATOM 0 HH11 ARG A 86 6.349 0.720 16.330 1.00 35.23 H new ATOM 0 HH12 ARG A 86 6.561 1.530 17.886 1.00 35.23 H new ATOM 0 HH21 ARG A 86 3.319 2.756 17.978 1.00 11.25 H new ATOM 0 HH22 ARG A 86 4.880 2.659 18.799 1.00 11.25 H new ATOM 1408 N LEU A 87 3.174 5.292 12.654 1.00 30.24 N ATOM 1409 CA LEU A 87 3.390 6.731 12.468 1.00 42.14 C ATOM 1410 C LEU A 87 4.203 7.327 13.633 1.00 14.32 C ATOM 1411 O LEU A 87 3.674 7.552 14.723 1.00 50.31 O ATOM 1412 CB LEU A 87 2.038 7.451 12.342 1.00 74.14 C ATOM 1413 CG LEU A 87 2.104 8.870 11.758 1.00 73.44 C ATOM 1414 CD1 LEU A 87 2.550 8.822 10.300 1.00 72.21 C ATOM 1415 CD2 LEU A 87 0.755 9.572 11.892 1.00 51.30 C ATOM 0 H LEU A 87 2.684 5.049 13.515 1.00 30.24 H new ATOM 0 HA LEU A 87 3.961 6.875 11.551 1.00 42.14 H new ATOM 0 HB2 LEU A 87 1.380 6.848 11.716 1.00 74.14 H new ATOM 0 HB3 LEU A 87 1.579 7.503 13.329 1.00 74.14 H new ATOM 0 HG LEU A 87 2.839 9.444 12.323 1.00 73.44 H new ATOM 0 HD11 LEU A 87 2.592 9.835 9.899 1.00 72.21 H new ATOM 0 HD12 LEU A 87 3.538 8.365 10.236 1.00 72.21 H new ATOM 0 HD13 LEU A 87 1.839 8.232 9.721 1.00 72.21 H new ATOM 0 HD21 LEU A 87 0.824 10.576 11.472 1.00 51.30 H new ATOM 0 HD22 LEU A 87 -0.005 9.005 11.354 1.00 51.30 H new ATOM 0 HD23 LEU A 87 0.482 9.637 12.945 1.00 51.30 H new ATOM 1427 N LEU A 88 5.494 7.562 13.396 1.00 51.41 N ATOM 1428 CA LEU A 88 6.396 8.114 14.420 1.00 74.52 C ATOM 1429 C LEU A 88 6.787 9.565 14.087 1.00 15.43 C ATOM 1430 O LEU A 88 6.388 10.104 13.052 1.00 35.12 O ATOM 1431 CB LEU A 88 7.669 7.250 14.551 1.00 60.12 C ATOM 1432 CG LEU A 88 7.457 5.797 15.036 1.00 22.32 C ATOM 1433 CD1 LEU A 88 6.770 4.945 13.973 1.00 31.14 C ATOM 1434 CD2 LEU A 88 8.788 5.168 15.445 1.00 53.02 C ATOM 0 H LEU A 88 5.945 7.379 12.500 1.00 51.41 H new ATOM 0 HA LEU A 88 5.861 8.105 15.370 1.00 74.52 H new ATOM 0 HB2 LEU A 88 8.164 7.219 13.580 1.00 60.12 H new ATOM 0 HB3 LEU A 88 8.351 7.746 15.241 1.00 60.12 H new ATOM 0 HG LEU A 88 6.803 5.833 15.907 1.00 22.32 H new ATOM 0 HD11 LEU A 88 6.638 3.931 14.349 1.00 31.14 H new ATOM 0 HD12 LEU A 88 5.796 5.374 13.736 1.00 31.14 H new ATOM 0 HD13 LEU A 88 7.384 4.921 13.073 1.00 31.14 H new ATOM 0 HD21 LEU A 88 8.619 4.146 15.783 1.00 53.02 H new ATOM 0 HD22 LEU A 88 9.464 5.160 14.590 1.00 53.02 H new ATOM 0 HD23 LEU A 88 9.232 5.749 16.253 1.00 53.02 H new ATOM 1446 N ASP A 89 7.555 10.205 14.968 1.00 31.20 N ATOM 1447 CA ASP A 89 8.040 11.566 14.711 1.00 2.12 C ATOM 1448 C ASP A 89 9.512 11.540 14.246 1.00 42.30 C ATOM 1449 O ASP A 89 10.112 10.472 14.129 1.00 5.11 O ATOM 1450 CB ASP A 89 7.878 12.437 15.965 1.00 2.44 C ATOM 1451 CG ASP A 89 9.052 12.322 16.917 1.00 44.55 C ATOM 1452 OD1 ASP A 89 9.264 11.242 17.490 1.00 51.32 O ATOM 1453 OD2 ASP A 89 9.792 13.314 17.065 1.00 44.41 O ATOM 0 H ASP A 89 7.854 9.810 15.859 1.00 31.20 H new ATOM 0 HA ASP A 89 7.441 12.002 13.912 1.00 2.12 H new ATOM 0 HB2 ASP A 89 7.760 13.478 15.665 1.00 2.44 H new ATOM 0 HB3 ASP A 89 6.965 12.150 16.486 1.00 2.44 H new ATOM 1458 N ALA A 90 10.092 12.716 13.991 1.00 4.23 N ATOM 1459 CA ALA A 90 11.483 12.817 13.523 1.00 71.35 C ATOM 1460 C ALA A 90 12.484 12.117 14.462 1.00 5.41 C ATOM 1461 O ALA A 90 13.544 11.671 14.027 1.00 75.00 O ATOM 1462 CB ALA A 90 11.874 14.277 13.346 1.00 54.23 C ATOM 0 H ALA A 90 9.622 13.614 14.100 1.00 4.23 H new ATOM 0 HA ALA A 90 11.529 12.301 12.564 1.00 71.35 H new ATOM 0 HB1 ALA A 90 12.906 14.338 12.999 1.00 54.23 H new ATOM 0 HB2 ALA A 90 11.217 14.743 12.612 1.00 54.23 H new ATOM 0 HB3 ALA A 90 11.780 14.797 14.299 1.00 54.23 H new ATOM 1468 N HIS A 91 12.142 12.021 15.746 1.00 45.44 N ATOM 1469 CA HIS A 91 13.027 11.404 16.744 1.00 24.12 C ATOM 1470 C HIS A 91 12.704 9.910 16.958 1.00 65.13 C ATOM 1471 O HIS A 91 13.165 9.300 17.927 1.00 12.30 O ATOM 1472 CB HIS A 91 12.919 12.164 18.073 1.00 52.12 C ATOM 1473 CG HIS A 91 13.232 13.626 17.961 1.00 3.32 C ATOM 1474 ND1 HIS A 91 12.526 14.646 17.418 1.00 72.54 N flip ATOM 1475 CD2 HIS A 91 14.383 14.194 18.463 1.00 73.03 C flip ATOM 1476 CE1 HIS A 91 13.252 15.793 17.604 1.00 54.12 C flip ATOM 1477 NE2 HIS A 91 14.368 15.491 18.236 1.00 50.40 N flip ATOM 0 H HIS A 91 11.258 12.362 16.124 1.00 45.44 H new ATOM 0 HA HIS A 91 14.048 11.465 16.367 1.00 24.12 H new ATOM 0 HB2 HIS A 91 11.909 12.047 18.467 1.00 52.12 H new ATOM 0 HB3 HIS A 91 13.597 11.711 18.796 1.00 52.12 H new ATOM 0 HD1 HIS A 91 11.620 14.574 16.955 1.00 72.54 H new ATOM 0 HD2 HIS A 91 15.175 13.658 18.965 1.00 73.03 H new ATOM 0 HE1 HIS A 91 12.958 16.782 17.285 1.00 54.12 H new ATOM 1486 N ASN A 92 11.922 9.332 16.043 1.00 73.33 N ATOM 1487 CA ASN A 92 11.563 7.902 16.085 1.00 14.35 C ATOM 1488 C ASN A 92 10.740 7.529 17.333 1.00 61.21 C ATOM 1489 O ASN A 92 10.817 6.399 17.824 1.00 61.31 O ATOM 1490 CB ASN A 92 12.819 7.020 15.996 1.00 4.54 C ATOM 1491 CG ASN A 92 13.506 7.127 14.649 1.00 42.14 C ATOM 1492 OD1 ASN A 92 14.367 7.974 14.439 1.00 24.11 O ATOM 1493 ND2 ASN A 92 13.143 6.261 13.724 1.00 21.43 N ATOM 0 H ASN A 92 11.518 9.835 15.253 1.00 73.33 H new ATOM 0 HA ASN A 92 10.931 7.717 15.216 1.00 14.35 H new ATOM 0 HB2 ASN A 92 13.518 7.308 16.781 1.00 4.54 H new ATOM 0 HB3 ASN A 92 12.544 5.981 16.179 1.00 4.54 H new ATOM 0 HD21 ASN A 92 13.582 6.284 12.803 1.00 21.43 H new ATOM 0 HD22 ASN A 92 12.423 5.568 13.929 1.00 21.43 H new ATOM 1500 N ALA A 93 9.945 8.467 17.835 1.00 53.53 N ATOM 1501 CA ALA A 93 8.979 8.174 18.901 1.00 12.53 C ATOM 1502 C ALA A 93 7.568 8.056 18.312 1.00 20.41 C ATOM 1503 O ALA A 93 7.187 8.840 17.440 1.00 21.31 O ATOM 1504 CB ALA A 93 9.028 9.252 19.982 1.00 3.32 C ATOM 0 H ALA A 93 9.946 9.439 17.525 1.00 53.53 H new ATOM 0 HA ALA A 93 9.243 7.223 19.363 1.00 12.53 H new ATOM 0 HB1 ALA A 93 8.305 9.017 20.763 1.00 3.32 H new ATOM 0 HB2 ALA A 93 10.028 9.290 20.413 1.00 3.32 H new ATOM 0 HB3 ALA A 93 8.786 10.219 19.542 1.00 3.32 H new ATOM 1510 N GLU A 94 6.797 7.072 18.772 1.00 75.51 N ATOM 1511 CA GLU A 94 5.459 6.820 18.219 1.00 2.35 C ATOM 1512 C GLU A 94 4.538 8.047 18.367 1.00 13.33 C ATOM 1513 O GLU A 94 4.208 8.472 19.476 1.00 44.30 O ATOM 1514 CB GLU A 94 4.837 5.576 18.876 1.00 21.44 C ATOM 1515 CG GLU A 94 4.694 5.663 20.392 1.00 72.45 C ATOM 1516 CD GLU A 94 4.261 4.346 21.016 1.00 73.25 C ATOM 1517 OE1 GLU A 94 3.076 3.976 20.874 1.00 24.15 O ATOM 1518 OE2 GLU A 94 5.107 3.671 21.644 1.00 51.12 O ATOM 0 H GLU A 94 7.070 6.437 19.522 1.00 75.51 H new ATOM 0 HA GLU A 94 5.568 6.631 17.151 1.00 2.35 H new ATOM 0 HB2 GLU A 94 3.852 5.405 18.441 1.00 21.44 H new ATOM 0 HB3 GLU A 94 5.449 4.708 18.631 1.00 21.44 H new ATOM 0 HG2 GLU A 94 5.646 5.971 20.826 1.00 72.45 H new ATOM 0 HG3 GLU A 94 3.966 6.435 20.641 1.00 72.45 H new ATOM 1525 N LEU A 95 4.138 8.618 17.234 1.00 45.41 N ATOM 1526 CA LEU A 95 3.314 9.833 17.213 1.00 5.01 C ATOM 1527 C LEU A 95 1.817 9.479 17.250 1.00 65.01 C ATOM 1528 O LEU A 95 1.069 9.991 18.084 1.00 3.40 O ATOM 1529 CB LEU A 95 3.654 10.661 15.952 1.00 73.50 C ATOM 1530 CG LEU A 95 3.245 12.154 15.965 1.00 44.40 C ATOM 1531 CD1 LEU A 95 1.727 12.329 15.896 1.00 21.23 C ATOM 1532 CD2 LEU A 95 3.818 12.859 17.197 1.00 53.44 C ATOM 0 H LEU A 95 4.371 8.258 16.309 1.00 45.41 H new ATOM 0 HA LEU A 95 3.533 10.429 18.099 1.00 5.01 H new ATOM 0 HB2 LEU A 95 4.730 10.605 15.789 1.00 73.50 H new ATOM 0 HB3 LEU A 95 3.177 10.186 15.095 1.00 73.50 H new ATOM 0 HG LEU A 95 3.666 12.617 15.072 1.00 44.40 H new ATOM 0 HD11 LEU A 95 1.482 13.391 15.907 1.00 21.23 H new ATOM 0 HD12 LEU A 95 1.350 11.880 14.977 1.00 21.23 H new ATOM 0 HD13 LEU A 95 1.265 11.841 16.754 1.00 21.23 H new ATOM 0 HD21 LEU A 95 3.520 13.907 17.188 1.00 53.44 H new ATOM 0 HD22 LEU A 95 3.437 12.381 18.100 1.00 53.44 H new ATOM 0 HD23 LEU A 95 4.906 12.791 17.182 1.00 53.44 H new ATOM 1544 N ALA A 96 1.388 8.604 16.343 1.00 72.11 N ATOM 1545 CA ALA A 96 -0.019 8.190 16.271 1.00 20.54 C ATOM 1546 C ALA A 96 -0.167 6.769 15.703 1.00 21.25 C ATOM 1547 O ALA A 96 0.772 6.215 15.128 1.00 44.45 O ATOM 1548 CB ALA A 96 -0.820 9.186 15.436 1.00 3.32 C ATOM 0 H ALA A 96 1.991 8.166 15.646 1.00 72.11 H new ATOM 0 HA ALA A 96 -0.414 8.178 17.287 1.00 20.54 H new ATOM 0 HB1 ALA A 96 -1.862 8.868 15.390 1.00 3.32 H new ATOM 0 HB2 ALA A 96 -0.762 10.174 15.893 1.00 3.32 H new ATOM 0 HB3 ALA A 96 -0.409 9.229 14.427 1.00 3.32 H new ATOM 1554 N SER A 97 -1.351 6.188 15.872 1.00 34.34 N ATOM 1555 CA SER A 97 -1.637 4.830 15.386 1.00 72.22 C ATOM 1556 C SER A 97 -2.019 4.828 13.897 1.00 60.43 C ATOM 1557 O SER A 97 -3.051 5.385 13.508 1.00 32.42 O ATOM 1558 CB SER A 97 -2.776 4.210 16.206 1.00 23.40 C ATOM 1559 OG SER A 97 -3.945 5.018 16.151 1.00 72.52 O ATOM 0 H SER A 97 -2.137 6.635 16.344 1.00 34.34 H new ATOM 0 HA SER A 97 -0.729 4.239 15.504 1.00 72.22 H new ATOM 0 HB2 SER A 97 -3.001 3.213 15.826 1.00 23.40 H new ATOM 0 HB3 SER A 97 -2.460 4.092 17.242 1.00 23.40 H new ATOM 0 HG SER A 97 -4.049 5.381 15.247 1.00 72.52 H new ATOM 1565 N LEU A 98 -1.187 4.200 13.069 1.00 32.55 N ATOM 1566 CA LEU A 98 -1.456 4.087 11.629 1.00 44.53 C ATOM 1567 C LEU A 98 -2.214 2.780 11.310 1.00 34.52 C ATOM 1568 O LEU A 98 -1.728 1.681 11.580 1.00 74.24 O ATOM 1569 CB LEU A 98 -0.136 4.159 10.843 1.00 70.24 C ATOM 1570 CG LEU A 98 -0.269 4.156 9.308 1.00 62.05 C ATOM 1571 CD1 LEU A 98 -1.159 5.302 8.833 1.00 12.01 C ATOM 1572 CD2 LEU A 98 1.108 4.245 8.653 1.00 55.25 C ATOM 0 H LEU A 98 -0.317 3.759 13.368 1.00 32.55 H new ATOM 0 HA LEU A 98 -2.091 4.920 11.326 1.00 44.53 H new ATOM 0 HB2 LEU A 98 0.394 5.064 11.141 1.00 70.24 H new ATOM 0 HB3 LEU A 98 0.486 3.314 11.137 1.00 70.24 H new ATOM 0 HG LEU A 98 -0.738 3.218 9.011 1.00 62.05 H new ATOM 0 HD11 LEU A 98 -1.236 5.277 7.746 1.00 12.01 H new ATOM 0 HD12 LEU A 98 -2.152 5.196 9.270 1.00 12.01 H new ATOM 0 HD13 LEU A 98 -0.725 6.252 9.144 1.00 12.01 H new ATOM 0 HD21 LEU A 98 0.996 4.242 7.569 1.00 55.25 H new ATOM 0 HD22 LEU A 98 1.600 5.166 8.964 1.00 55.25 H new ATOM 0 HD23 LEU A 98 1.712 3.390 8.958 1.00 55.25 H new ATOM 1584 N GLN A 99 -3.413 2.916 10.744 1.00 62.31 N ATOM 1585 CA GLN A 99 -4.285 1.768 10.444 1.00 21.45 C ATOM 1586 C GLN A 99 -3.711 0.886 9.317 1.00 21.22 C ATOM 1587 O GLN A 99 -3.496 1.360 8.202 1.00 42.30 O ATOM 1588 CB GLN A 99 -5.684 2.290 10.057 1.00 72.10 C ATOM 1589 CG GLN A 99 -6.710 1.210 9.704 1.00 34.15 C ATOM 1590 CD GLN A 99 -6.908 0.195 10.816 1.00 4.44 C ATOM 1591 OE1 GLN A 99 -6.197 -0.910 10.738 1.00 22.33 O flip ATOM 1592 NE2 GLN A 99 -7.715 0.385 11.719 1.00 34.30 N flip ATOM 0 H GLN A 99 -3.810 3.817 10.480 1.00 62.31 H new ATOM 0 HA GLN A 99 -4.351 1.143 11.335 1.00 21.45 H new ATOM 0 HB2 GLN A 99 -6.074 2.882 10.884 1.00 72.10 H new ATOM 0 HB3 GLN A 99 -5.580 2.962 9.205 1.00 72.10 H new ATOM 0 HG2 GLN A 99 -7.665 1.684 9.478 1.00 34.15 H new ATOM 0 HG3 GLN A 99 -6.389 0.693 8.800 1.00 34.15 H new ATOM 0 HE21 GLN A 99 -8.250 1.253 11.750 1.00 34.30 H new ATOM 0 HE22 GLN A 99 -7.851 -0.325 12.439 1.00 34.30 H new ATOM 1601 N GLU A 100 -3.463 -0.400 9.613 1.00 51.21 N ATOM 1602 CA GLU A 100 -2.952 -1.331 8.595 1.00 31.40 C ATOM 1603 C GLU A 100 -4.042 -1.693 7.572 1.00 11.34 C ATOM 1604 O GLU A 100 -5.233 -1.712 7.893 1.00 13.31 O ATOM 1605 CB GLU A 100 -2.361 -2.608 9.228 1.00 53.32 C ATOM 1606 CG GLU A 100 -3.377 -3.569 9.855 1.00 22.24 C ATOM 1607 CD GLU A 100 -4.034 -3.034 11.117 1.00 11.24 C ATOM 1608 OE1 GLU A 100 -3.375 -2.286 11.870 1.00 12.21 O ATOM 1609 OE2 GLU A 100 -5.206 -3.383 11.376 1.00 4.42 O ATOM 0 H GLU A 100 -3.605 -0.814 10.534 1.00 51.21 H new ATOM 0 HA GLU A 100 -2.146 -0.816 8.072 1.00 31.40 H new ATOM 0 HB2 GLU A 100 -1.803 -3.147 8.462 1.00 53.32 H new ATOM 0 HB3 GLU A 100 -1.645 -2.313 9.995 1.00 53.32 H new ATOM 0 HG2 GLU A 100 -4.151 -3.793 9.121 1.00 22.24 H new ATOM 0 HG3 GLU A 100 -2.877 -4.509 10.088 1.00 22.24 H new ATOM 1616 N ILE A 101 -3.615 -1.992 6.348 1.00 62.21 N ATOM 1617 CA ILE A 101 -4.529 -2.173 5.212 1.00 40.10 C ATOM 1618 C ILE A 101 -4.840 -3.660 4.945 1.00 73.54 C ATOM 1619 O ILE A 101 -4.016 -4.538 5.207 1.00 45.32 O ATOM 1620 CB ILE A 101 -3.918 -1.531 3.943 1.00 42.05 C ATOM 1621 CG1 ILE A 101 -3.354 -0.142 4.285 1.00 1.20 C ATOM 1622 CG2 ILE A 101 -4.961 -1.427 2.827 1.00 14.41 C ATOM 1623 CD1 ILE A 101 -2.611 0.518 3.147 1.00 62.21 C ATOM 0 H ILE A 101 -2.631 -2.116 6.111 1.00 62.21 H new ATOM 0 HA ILE A 101 -5.469 -1.682 5.465 1.00 40.10 H new ATOM 0 HB ILE A 101 -3.108 -2.167 3.585 1.00 42.05 H new ATOM 0 HG12 ILE A 101 -4.175 0.506 4.594 1.00 1.20 H new ATOM 0 HG13 ILE A 101 -2.682 -0.234 5.139 1.00 1.20 H new ATOM 0 HG21 ILE A 101 -4.507 -0.973 1.946 1.00 14.41 H new ATOM 0 HG22 ILE A 101 -5.325 -2.423 2.575 1.00 14.41 H new ATOM 0 HG23 ILE A 101 -5.795 -0.811 3.164 1.00 14.41 H new ATOM 0 HD11 ILE A 101 -2.245 1.493 3.468 1.00 62.21 H new ATOM 0 HD12 ILE A 101 -1.768 -0.107 2.852 1.00 62.21 H new ATOM 0 HD13 ILE A 101 -3.283 0.645 2.298 1.00 62.21 H new ATOM 1635 N ARG A 102 -6.030 -3.928 4.400 1.00 62.50 N ATOM 1636 CA ARG A 102 -6.512 -5.303 4.193 1.00 71.12 C ATOM 1637 C ARG A 102 -7.197 -5.470 2.819 1.00 75.53 C ATOM 1638 O ARG A 102 -8.286 -6.040 2.718 1.00 34.23 O ATOM 1639 CB ARG A 102 -7.491 -5.659 5.328 1.00 53.42 C ATOM 1640 CG ARG A 102 -8.617 -4.636 5.498 1.00 63.14 C ATOM 1641 CD ARG A 102 -9.523 -4.952 6.686 1.00 42.24 C ATOM 1642 NE ARG A 102 -10.560 -3.932 6.858 1.00 23.45 N ATOM 1643 CZ ARG A 102 -11.225 -3.724 7.964 1.00 21.25 C ATOM 1644 NH1 ARG A 102 -10.998 -4.441 9.021 1.00 60.13 N ATOM 1645 NH2 ARG A 102 -12.121 -2.793 8.008 1.00 62.11 N ATOM 0 H ARG A 102 -6.683 -3.208 4.091 1.00 62.50 H new ATOM 0 HA ARG A 102 -5.658 -5.980 4.207 1.00 71.12 H new ATOM 0 HB2 ARG A 102 -7.926 -6.639 5.130 1.00 53.42 H new ATOM 0 HB3 ARG A 102 -6.938 -5.739 6.264 1.00 53.42 H new ATOM 0 HG2 ARG A 102 -8.185 -3.644 5.629 1.00 63.14 H new ATOM 0 HG3 ARG A 102 -9.215 -4.605 4.587 1.00 63.14 H new ATOM 0 HD2 ARG A 102 -9.990 -5.926 6.539 1.00 42.24 H new ATOM 0 HD3 ARG A 102 -8.924 -5.019 7.594 1.00 42.24 H new ATOM 0 HE ARG A 102 -10.779 -3.341 6.056 1.00 23.45 H new ATOM 0 HH11 ARG A 102 -10.293 -5.178 8.996 1.00 60.13 H new ATOM 0 HH12 ARG A 102 -11.524 -4.268 9.877 1.00 60.13 H new ATOM 0 HH21 ARG A 102 -12.307 -2.224 7.182 1.00 62.11 H new ATOM 0 HH22 ARG A 102 -12.642 -2.627 8.869 1.00 62.11 H new ATOM 1659 N LEU A 103 -6.540 -4.998 1.759 1.00 54.51 N ATOM 1660 CA LEU A 103 -7.122 -5.025 0.406 1.00 22.31 C ATOM 1661 C LEU A 103 -7.239 -6.450 -0.161 1.00 11.14 C ATOM 1662 O LEU A 103 -6.327 -7.262 -0.026 1.00 64.11 O ATOM 1663 CB LEU A 103 -6.288 -4.167 -0.556 1.00 61.55 C ATOM 1664 CG LEU A 103 -6.274 -2.660 -0.256 1.00 64.14 C ATOM 1665 CD1 LEU A 103 -5.440 -1.918 -1.296 1.00 62.21 C ATOM 1666 CD2 LEU A 103 -7.697 -2.103 -0.202 1.00 62.01 C ATOM 0 H LEU A 103 -5.606 -4.592 1.805 1.00 54.51 H new ATOM 0 HA LEU A 103 -8.129 -4.617 0.496 1.00 22.31 H new ATOM 0 HB2 LEU A 103 -5.261 -4.532 -0.543 1.00 61.55 H new ATOM 0 HB3 LEU A 103 -6.666 -4.315 -1.568 1.00 61.55 H new ATOM 0 HG LEU A 103 -5.817 -2.509 0.722 1.00 64.14 H new ATOM 0 HD11 LEU A 103 -5.440 -0.852 -1.069 1.00 62.21 H new ATOM 0 HD12 LEU A 103 -4.417 -2.293 -1.277 1.00 62.21 H new ATOM 0 HD13 LEU A 103 -5.866 -2.078 -2.286 1.00 62.21 H new ATOM 0 HD21 LEU A 103 -7.662 -1.035 0.012 1.00 62.01 H new ATOM 0 HD22 LEU A 103 -8.188 -2.265 -1.162 1.00 62.01 H new ATOM 0 HD23 LEU A 103 -8.257 -2.612 0.583 1.00 62.01 H new ATOM 1678 N THR A 104 -8.376 -6.730 -0.794 1.00 62.45 N ATOM 1679 CA THR A 104 -8.609 -8.001 -1.498 1.00 71.05 C ATOM 1680 C THR A 104 -9.342 -7.757 -2.821 1.00 75.41 C ATOM 1681 O THR A 104 -10.521 -7.403 -2.831 1.00 22.44 O ATOM 1682 CB THR A 104 -9.443 -8.995 -0.649 1.00 1.14 C ATOM 1683 OG1 THR A 104 -10.624 -8.349 -0.143 1.00 14.11 O ATOM 1684 CG2 THR A 104 -8.626 -9.557 0.505 1.00 5.01 C ATOM 0 H THR A 104 -9.166 -6.086 -0.837 1.00 62.45 H new ATOM 0 HA THR A 104 -7.628 -8.438 -1.684 1.00 71.05 H new ATOM 0 HB THR A 104 -9.734 -9.823 -1.295 1.00 1.14 H new ATOM 0 HG1 THR A 104 -10.986 -7.748 -0.827 1.00 14.11 H new ATOM 0 HG21 THR A 104 -9.239 -10.250 1.081 1.00 5.01 H new ATOM 0 HG22 THR A 104 -7.755 -10.082 0.112 1.00 5.01 H new ATOM 0 HG23 THR A 104 -8.298 -8.742 1.149 1.00 5.01 H new ATOM 1692 N ARG A 105 -8.643 -7.940 -3.938 1.00 23.53 N ATOM 1693 CA ARG A 105 -9.213 -7.665 -5.268 1.00 35.12 C ATOM 1694 C ARG A 105 -9.242 -8.933 -6.135 1.00 64.31 C ATOM 1695 O ARG A 105 -8.302 -9.722 -6.135 1.00 62.22 O ATOM 1696 CB ARG A 105 -8.431 -6.522 -5.937 1.00 22.15 C ATOM 1697 CG ARG A 105 -8.446 -5.249 -5.088 1.00 40.51 C ATOM 1698 CD ARG A 105 -7.768 -4.055 -5.752 1.00 40.22 C ATOM 1699 NE ARG A 105 -7.766 -2.893 -4.857 1.00 33.12 N ATOM 1700 CZ ARG A 105 -8.487 -1.820 -5.042 1.00 5.11 C ATOM 1701 NH1 ARG A 105 -9.166 -1.666 -6.128 1.00 63.14 N ATOM 1702 NH2 ARG A 105 -8.504 -0.886 -4.149 1.00 2.41 N ATOM 0 H ARG A 105 -7.681 -8.277 -3.956 1.00 23.53 H new ATOM 0 HA ARG A 105 -10.249 -7.347 -5.154 1.00 35.12 H new ATOM 0 HB2 ARG A 105 -7.400 -6.836 -6.103 1.00 22.15 H new ATOM 0 HB3 ARG A 105 -8.862 -6.311 -6.916 1.00 22.15 H new ATOM 0 HG2 ARG A 105 -9.480 -4.988 -4.861 1.00 40.51 H new ATOM 0 HG3 ARG A 105 -7.953 -5.452 -4.138 1.00 40.51 H new ATOM 0 HD2 ARG A 105 -6.744 -4.315 -6.020 1.00 40.22 H new ATOM 0 HD3 ARG A 105 -8.286 -3.806 -6.678 1.00 40.22 H new ATOM 0 HE ARG A 105 -7.162 -2.925 -4.036 1.00 33.12 H new ATOM 0 HH11 ARG A 105 -9.142 -2.386 -6.851 1.00 63.14 H new ATOM 0 HH12 ARG A 105 -9.726 -0.825 -6.264 1.00 63.14 H new ATOM 0 HH21 ARG A 105 -7.953 -0.986 -3.296 1.00 2.41 H new ATOM 0 HH22 ARG A 105 -9.068 -0.049 -4.297 1.00 2.41 H new ATOM 1716 N ILE A 106 -10.332 -9.117 -6.878 1.00 52.05 N ATOM 1717 CA ILE A 106 -10.648 -10.416 -7.493 1.00 63.53 C ATOM 1718 C ILE A 106 -10.164 -10.546 -8.950 1.00 43.11 C ATOM 1719 O ILE A 106 -10.190 -9.587 -9.724 1.00 21.34 O ATOM 1720 CB ILE A 106 -12.175 -10.677 -7.441 1.00 13.21 C ATOM 1721 CG1 ILE A 106 -12.688 -10.548 -5.996 1.00 62.10 C ATOM 1722 CG2 ILE A 106 -12.515 -12.052 -8.014 1.00 75.01 C ATOM 1723 CD1 ILE A 106 -11.990 -11.458 -5.006 1.00 50.30 C ATOM 0 H ILE A 106 -11.015 -8.385 -7.072 1.00 52.05 H new ATOM 0 HA ILE A 106 -10.108 -11.161 -6.909 1.00 63.53 H new ATOM 0 HB ILE A 106 -12.672 -9.927 -8.056 1.00 13.21 H new ATOM 0 HG12 ILE A 106 -12.567 -9.515 -5.670 1.00 62.10 H new ATOM 0 HG13 ILE A 106 -13.756 -10.764 -5.981 1.00 62.10 H new ATOM 0 HG21 ILE A 106 -13.592 -12.210 -7.966 1.00 75.01 H new ATOM 0 HG22 ILE A 106 -12.187 -12.105 -9.052 1.00 75.01 H new ATOM 0 HG23 ILE A 106 -12.009 -12.823 -7.434 1.00 75.01 H new ATOM 0 HD11 ILE A 106 -12.410 -11.305 -4.012 1.00 50.30 H new ATOM 0 HD12 ILE A 106 -12.132 -12.497 -5.304 1.00 50.30 H new ATOM 0 HD13 ILE A 106 -10.925 -11.228 -4.989 1.00 50.30 H new ATOM 1735 N LEU A 107 -9.738 -11.759 -9.311 1.00 60.30 N ATOM 1736 CA LEU A 107 -9.281 -12.075 -10.670 1.00 4.05 C ATOM 1737 C LEU A 107 -10.062 -13.293 -11.214 1.00 20.21 C ATOM 1738 O LEU A 107 -9.867 -14.416 -10.751 1.00 1.10 O ATOM 1739 CB LEU A 107 -7.762 -12.362 -10.646 1.00 1.30 C ATOM 1740 CG LEU A 107 -7.008 -12.207 -11.983 1.00 32.34 C ATOM 1741 CD1 LEU A 107 -7.404 -13.286 -12.990 1.00 12.22 C ATOM 1742 CD2 LEU A 107 -7.246 -10.817 -12.562 1.00 54.51 C ATOM 0 H LEU A 107 -9.700 -12.552 -8.670 1.00 60.30 H new ATOM 0 HA LEU A 107 -9.467 -11.227 -11.329 1.00 4.05 H new ATOM 0 HB2 LEU A 107 -7.301 -11.697 -9.916 1.00 1.30 H new ATOM 0 HB3 LEU A 107 -7.613 -13.381 -10.287 1.00 1.30 H new ATOM 0 HG LEU A 107 -5.944 -12.331 -11.780 1.00 32.34 H new ATOM 0 HD11 LEU A 107 -6.850 -13.139 -13.917 1.00 12.22 H new ATOM 0 HD12 LEU A 107 -7.172 -14.269 -12.580 1.00 12.22 H new ATOM 0 HD13 LEU A 107 -8.473 -13.220 -13.192 1.00 12.22 H new ATOM 0 HD21 LEU A 107 -6.709 -10.719 -13.505 1.00 54.51 H new ATOM 0 HD22 LEU A 107 -8.312 -10.673 -12.735 1.00 54.51 H new ATOM 0 HD23 LEU A 107 -6.887 -10.064 -11.860 1.00 54.51 H new ATOM 1754 N PRO A 108 -10.964 -13.091 -12.197 1.00 12.03 N ATOM 1755 CA PRO A 108 -11.807 -14.181 -12.736 1.00 2.15 C ATOM 1756 C PRO A 108 -11.030 -15.199 -13.595 1.00 53.35 C ATOM 1757 O PRO A 108 -10.161 -14.827 -14.391 1.00 54.04 O ATOM 1758 CB PRO A 108 -12.836 -13.430 -13.591 1.00 52.03 C ATOM 1759 CG PRO A 108 -12.140 -12.176 -14.006 1.00 43.51 C ATOM 1760 CD PRO A 108 -11.245 -11.797 -12.854 1.00 74.32 C ATOM 0 HA PRO A 108 -12.237 -14.784 -11.936 1.00 2.15 H new ATOM 0 HB2 PRO A 108 -13.138 -14.020 -14.456 1.00 52.03 H new ATOM 0 HB3 PRO A 108 -13.740 -13.212 -13.022 1.00 52.03 H new ATOM 0 HG2 PRO A 108 -11.560 -12.334 -14.915 1.00 43.51 H new ATOM 0 HG3 PRO A 108 -12.858 -11.384 -14.220 1.00 43.51 H new ATOM 0 HD2 PRO A 108 -10.330 -11.314 -13.198 1.00 74.32 H new ATOM 0 HD3 PRO A 108 -11.737 -11.100 -12.175 1.00 74.32 H new ATOM 1768 N PHE A 109 -11.349 -16.486 -13.433 1.00 30.44 N ATOM 1769 CA PHE A 109 -10.722 -17.542 -14.236 1.00 23.31 C ATOM 1770 C PHE A 109 -11.245 -17.528 -15.685 1.00 4.25 C ATOM 1771 O PHE A 109 -12.252 -18.162 -16.013 1.00 4.25 O ATOM 1772 CB PHE A 109 -10.961 -18.921 -13.595 1.00 2.35 C ATOM 1773 CG PHE A 109 -10.369 -20.075 -14.371 1.00 35.22 C ATOM 1774 CD1 PHE A 109 -9.002 -20.322 -14.340 1.00 63.42 C ATOM 1775 CD2 PHE A 109 -11.179 -20.914 -15.126 1.00 71.23 C ATOM 1776 CE1 PHE A 109 -8.460 -21.378 -15.046 1.00 2.14 C ATOM 1777 CE2 PHE A 109 -10.639 -21.970 -15.833 1.00 33.53 C ATOM 1778 CZ PHE A 109 -9.278 -22.202 -15.794 1.00 13.41 C ATOM 0 H PHE A 109 -12.034 -16.822 -12.757 1.00 30.44 H new ATOM 0 HA PHE A 109 -9.650 -17.348 -14.263 1.00 23.31 H new ATOM 0 HB2 PHE A 109 -10.540 -18.920 -12.590 1.00 2.35 H new ATOM 0 HB3 PHE A 109 -12.034 -19.080 -13.491 1.00 2.35 H new ATOM 0 HD1 PHE A 109 -8.356 -19.681 -13.758 1.00 63.42 H new ATOM 0 HD2 PHE A 109 -12.244 -20.738 -15.160 1.00 71.23 H new ATOM 0 HE1 PHE A 109 -7.396 -21.560 -15.013 1.00 2.14 H new ATOM 0 HE2 PHE A 109 -11.280 -22.614 -16.416 1.00 33.53 H new ATOM 0 HZ PHE A 109 -8.854 -23.027 -16.348 1.00 13.41 H new ATOM 1788 N LEU A 110 -10.569 -16.769 -16.541 1.00 75.41 N ATOM 1789 CA LEU A 110 -10.905 -16.723 -17.966 1.00 53.14 C ATOM 1790 C LEU A 110 -10.176 -17.836 -18.733 1.00 23.02 C ATOM 1791 O LEU A 110 -8.969 -17.757 -18.968 1.00 51.22 O ATOM 1792 CB LEU A 110 -10.558 -15.346 -18.545 1.00 32.01 C ATOM 1793 CG LEU A 110 -11.280 -14.161 -17.877 1.00 4.43 C ATOM 1794 CD1 LEU A 110 -10.872 -12.840 -18.522 1.00 33.21 C ATOM 1795 CD2 LEU A 110 -12.796 -14.347 -17.936 1.00 13.14 C ATOM 0 H LEU A 110 -9.783 -16.175 -16.276 1.00 75.41 H new ATOM 0 HA LEU A 110 -11.977 -16.886 -18.076 1.00 53.14 H new ATOM 0 HB2 LEU A 110 -9.482 -15.192 -18.459 1.00 32.01 H new ATOM 0 HB3 LEU A 110 -10.796 -15.345 -19.609 1.00 32.01 H new ATOM 0 HG LEU A 110 -10.981 -14.131 -16.829 1.00 4.43 H new ATOM 0 HD11 LEU A 110 -11.396 -12.019 -18.032 1.00 33.21 H new ATOM 0 HD12 LEU A 110 -9.796 -12.700 -18.415 1.00 33.21 H new ATOM 0 HD13 LEU A 110 -11.132 -12.856 -19.580 1.00 33.21 H new ATOM 0 HD21 LEU A 110 -13.286 -13.498 -17.458 1.00 13.14 H new ATOM 0 HD22 LEU A 110 -13.114 -14.411 -18.976 1.00 13.14 H new ATOM 0 HD23 LEU A 110 -13.071 -15.264 -17.415 1.00 13.14 H new ATOM 1807 N ASP A 111 -10.921 -18.872 -19.108 1.00 70.21 N ATOM 1808 CA ASP A 111 -10.355 -20.054 -19.768 1.00 3.11 C ATOM 1809 C ASP A 111 -9.663 -19.713 -21.101 1.00 0.21 C ATOM 1810 O ASP A 111 -8.456 -19.910 -21.254 1.00 60.45 O ATOM 1811 CB ASP A 111 -11.465 -21.088 -19.995 1.00 61.13 C ATOM 1812 CG ASP A 111 -10.997 -22.292 -20.795 1.00 5.31 C ATOM 1813 OD1 ASP A 111 -10.317 -23.167 -20.223 1.00 43.53 O ATOM 1814 OD2 ASP A 111 -11.308 -22.369 -22.003 1.00 22.12 O ATOM 0 H ASP A 111 -11.930 -18.920 -18.966 1.00 70.21 H new ATOM 0 HA ASP A 111 -9.587 -20.464 -19.112 1.00 3.11 H new ATOM 0 HB2 ASP A 111 -11.844 -21.424 -19.030 1.00 61.13 H new ATOM 0 HB3 ASP A 111 -12.296 -20.613 -20.516 1.00 61.13 H new ATOM 1819 N ALA A 112 -10.432 -19.195 -22.056 1.00 42.42 N ATOM 1820 CA ALA A 112 -9.926 -18.943 -23.413 1.00 41.23 C ATOM 1821 C ALA A 112 -9.518 -17.475 -23.622 1.00 54.51 C ATOM 1822 O ALA A 112 -9.572 -16.962 -24.743 1.00 51.14 O ATOM 1823 CB ALA A 112 -10.982 -19.355 -24.433 1.00 54.43 C ATOM 0 H ALA A 112 -11.410 -18.940 -21.920 1.00 42.42 H new ATOM 0 HA ALA A 112 -9.026 -19.542 -23.551 1.00 41.23 H new ATOM 0 HB1 ALA A 112 -10.608 -19.169 -25.440 1.00 54.43 H new ATOM 0 HB2 ALA A 112 -11.204 -20.416 -24.319 1.00 54.43 H new ATOM 0 HB3 ALA A 112 -11.891 -18.775 -24.270 1.00 54.43 H new ATOM 1829 N GLN A 113 -9.096 -16.799 -22.555 1.00 33.11 N ATOM 1830 CA GLN A 113 -8.671 -15.392 -22.650 1.00 10.33 C ATOM 1831 C GLN A 113 -7.373 -15.146 -21.864 1.00 51.54 C ATOM 1832 O GLN A 113 -7.398 -14.694 -20.719 1.00 30.11 O ATOM 1833 CB GLN A 113 -9.787 -14.463 -22.144 1.00 30.24 C ATOM 1834 CG GLN A 113 -11.116 -14.653 -22.869 1.00 72.02 C ATOM 1835 CD GLN A 113 -12.225 -13.769 -22.328 1.00 5.40 C ATOM 1836 OE1 GLN A 113 -11.984 -12.670 -21.839 1.00 2.21 O ATOM 1837 NE2 GLN A 113 -13.450 -14.243 -22.411 1.00 62.13 N ATOM 0 H GLN A 113 -9.037 -17.195 -21.617 1.00 33.11 H new ATOM 0 HA GLN A 113 -8.474 -15.170 -23.699 1.00 10.33 H new ATOM 0 HB2 GLN A 113 -9.936 -14.635 -21.078 1.00 30.24 H new ATOM 0 HB3 GLN A 113 -9.466 -13.428 -22.257 1.00 30.24 H new ATOM 0 HG2 GLN A 113 -10.977 -14.442 -23.929 1.00 72.02 H new ATOM 0 HG3 GLN A 113 -11.420 -15.697 -22.788 1.00 72.02 H new ATOM 0 HE21 GLN A 113 -13.615 -15.161 -22.824 1.00 62.13 H new ATOM 0 HE22 GLN A 113 -14.235 -13.692 -22.063 1.00 62.13 H new ATOM 1846 N GLU A 114 -6.235 -15.450 -22.489 1.00 61.51 N ATOM 1847 CA GLU A 114 -4.930 -15.335 -21.825 1.00 30.35 C ATOM 1848 C GLU A 114 -4.452 -13.874 -21.715 1.00 1.15 C ATOM 1849 O GLU A 114 -3.818 -13.500 -20.724 1.00 23.53 O ATOM 1850 CB GLU A 114 -3.876 -16.185 -22.552 1.00 40.21 C ATOM 1851 CG GLU A 114 -3.679 -15.815 -24.017 1.00 14.22 C ATOM 1852 CD GLU A 114 -2.555 -16.602 -24.671 1.00 34.30 C ATOM 1853 OE1 GLU A 114 -2.769 -17.788 -25.003 1.00 31.00 O ATOM 1854 OE2 GLU A 114 -1.452 -16.045 -24.848 1.00 44.22 O ATOM 0 H GLU A 114 -6.187 -15.778 -23.454 1.00 61.51 H new ATOM 0 HA GLU A 114 -5.058 -15.711 -20.810 1.00 30.35 H new ATOM 0 HB2 GLU A 114 -2.923 -16.085 -22.032 1.00 40.21 H new ATOM 0 HB3 GLU A 114 -4.165 -17.234 -22.489 1.00 40.21 H new ATOM 0 HG2 GLU A 114 -4.607 -15.993 -24.561 1.00 14.22 H new ATOM 0 HG3 GLU A 114 -3.464 -14.749 -24.093 1.00 14.22 H new ATOM 1861 N LEU A 115 -4.759 -13.053 -22.726 1.00 10.45 N ATOM 1862 CA LEU A 115 -4.384 -11.628 -22.701 1.00 51.41 C ATOM 1863 C LEU A 115 -4.979 -10.924 -21.473 1.00 62.04 C ATOM 1864 O LEU A 115 -4.285 -10.196 -20.759 1.00 42.33 O ATOM 1865 CB LEU A 115 -4.842 -10.906 -23.988 1.00 50.21 C ATOM 1866 CG LEU A 115 -3.966 -11.117 -25.241 1.00 60.20 C ATOM 1867 CD1 LEU A 115 -2.524 -10.697 -24.971 1.00 32.24 C ATOM 1868 CD2 LEU A 115 -4.028 -12.563 -25.726 1.00 12.43 C ATOM 0 H LEU A 115 -5.261 -13.344 -23.565 1.00 10.45 H new ATOM 0 HA LEU A 115 -3.297 -11.580 -22.643 1.00 51.41 H new ATOM 0 HB2 LEU A 115 -5.856 -11.232 -24.221 1.00 50.21 H new ATOM 0 HB3 LEU A 115 -4.891 -9.837 -23.781 1.00 50.21 H new ATOM 0 HG LEU A 115 -4.364 -10.484 -26.034 1.00 60.20 H new ATOM 0 HD11 LEU A 115 -1.925 -10.855 -25.868 1.00 32.24 H new ATOM 0 HD12 LEU A 115 -2.497 -9.642 -24.698 1.00 32.24 H new ATOM 0 HD13 LEU A 115 -2.118 -11.294 -24.154 1.00 32.24 H new ATOM 0 HD21 LEU A 115 -3.400 -12.678 -26.610 1.00 12.43 H new ATOM 0 HD22 LEU A 115 -3.671 -13.227 -24.938 1.00 12.43 H new ATOM 0 HD23 LEU A 115 -5.057 -12.819 -25.977 1.00 12.43 H new ATOM 1880 N ALA A 116 -6.266 -11.160 -21.227 1.00 71.12 N ATOM 1881 CA ALA A 116 -6.960 -10.572 -20.078 1.00 2.14 C ATOM 1882 C ALA A 116 -6.366 -11.060 -18.746 1.00 64.12 C ATOM 1883 O ALA A 116 -6.147 -10.271 -17.830 1.00 62.25 O ATOM 1884 CB ALA A 116 -8.447 -10.890 -20.150 1.00 50.05 C ATOM 0 H ALA A 116 -6.853 -11.757 -21.809 1.00 71.12 H new ATOM 0 HA ALA A 116 -6.824 -9.491 -20.118 1.00 2.14 H new ATOM 0 HB1 ALA A 116 -8.955 -10.449 -19.292 1.00 50.05 H new ATOM 0 HB2 ALA A 116 -8.863 -10.478 -21.069 1.00 50.05 H new ATOM 0 HB3 ALA A 116 -8.589 -11.971 -20.140 1.00 50.05 H new ATOM 1890 N LYS A 117 -6.097 -12.364 -18.654 1.00 62.23 N ATOM 1891 CA LYS A 117 -5.491 -12.952 -17.449 1.00 33.34 C ATOM 1892 C LYS A 117 -4.204 -12.215 -17.035 1.00 33.12 C ATOM 1893 O LYS A 117 -4.065 -11.781 -15.891 1.00 71.02 O ATOM 1894 CB LYS A 117 -5.172 -14.438 -17.683 1.00 44.43 C ATOM 1895 CG LYS A 117 -6.401 -15.335 -17.827 1.00 71.50 C ATOM 1896 CD LYS A 117 -7.210 -15.425 -16.535 1.00 44.13 C ATOM 1897 CE LYS A 117 -6.379 -15.955 -15.371 1.00 54.45 C ATOM 1898 NZ LYS A 117 -5.761 -17.275 -15.670 1.00 13.22 N ATOM 0 H LYS A 117 -6.288 -13.036 -19.397 1.00 62.23 H new ATOM 0 HA LYS A 117 -6.217 -12.851 -16.642 1.00 33.34 H new ATOM 0 HB2 LYS A 117 -4.564 -14.529 -18.583 1.00 44.43 H new ATOM 0 HB3 LYS A 117 -4.567 -14.802 -16.852 1.00 44.43 H new ATOM 0 HG2 LYS A 117 -7.037 -14.951 -18.625 1.00 71.50 H new ATOM 0 HG3 LYS A 117 -6.085 -16.335 -18.125 1.00 71.50 H new ATOM 0 HD2 LYS A 117 -7.599 -14.439 -16.282 1.00 44.13 H new ATOM 0 HD3 LYS A 117 -8.070 -16.076 -16.691 1.00 44.13 H new ATOM 0 HE2 LYS A 117 -5.596 -15.236 -15.130 1.00 54.45 H new ATOM 0 HE3 LYS A 117 -7.011 -16.045 -14.488 1.00 54.45 H new ATOM 0 HZ1 LYS A 117 -5.307 -17.648 -14.812 1.00 13.22 H new ATOM 0 HZ2 LYS A 117 -6.496 -17.938 -15.989 1.00 13.22 H new ATOM 0 HZ3 LYS A 117 -5.048 -17.163 -16.419 1.00 13.22 H new ATOM 1912 N ALA A 118 -3.273 -12.076 -17.977 1.00 62.02 N ATOM 1913 CA ALA A 118 -1.980 -11.440 -17.704 1.00 13.01 C ATOM 1914 C ALA A 118 -2.129 -9.945 -17.372 1.00 1.34 C ATOM 1915 O ALA A 118 -1.616 -9.469 -16.353 1.00 31.22 O ATOM 1916 CB ALA A 118 -1.046 -11.628 -18.895 1.00 40.44 C ATOM 0 H ALA A 118 -3.388 -12.395 -18.939 1.00 62.02 H new ATOM 0 HA ALA A 118 -1.552 -11.925 -16.826 1.00 13.01 H new ATOM 0 HB1 ALA A 118 -0.088 -11.153 -18.685 1.00 40.44 H new ATOM 0 HB2 ALA A 118 -0.892 -12.692 -19.072 1.00 40.44 H new ATOM 0 HB3 ALA A 118 -1.490 -11.173 -19.781 1.00 40.44 H new ATOM 1922 N ALA A 119 -2.843 -9.221 -18.233 1.00 64.04 N ATOM 1923 CA ALA A 119 -3.016 -7.771 -18.084 1.00 44.54 C ATOM 1924 C ALA A 119 -3.780 -7.404 -16.800 1.00 12.41 C ATOM 1925 O ALA A 119 -3.273 -6.654 -15.963 1.00 53.34 O ATOM 1926 CB ALA A 119 -3.728 -7.200 -19.305 1.00 22.43 C ATOM 0 H ALA A 119 -3.315 -9.615 -19.047 1.00 64.04 H new ATOM 0 HA ALA A 119 -2.022 -7.331 -18.004 1.00 44.54 H new ATOM 0 HB1 ALA A 119 -3.851 -6.124 -19.184 1.00 22.43 H new ATOM 0 HB2 ALA A 119 -3.136 -7.399 -20.198 1.00 22.43 H new ATOM 0 HB3 ALA A 119 -4.707 -7.668 -19.407 1.00 22.43 H new ATOM 1932 N GLU A 120 -4.994 -7.939 -16.646 1.00 45.14 N ATOM 1933 CA GLU A 120 -5.831 -7.638 -15.474 1.00 34.43 C ATOM 1934 C GLU A 120 -5.102 -7.912 -14.152 1.00 22.31 C ATOM 1935 O GLU A 120 -5.060 -7.049 -13.275 1.00 0.44 O ATOM 1936 CB GLU A 120 -7.140 -8.443 -15.517 1.00 73.24 C ATOM 1937 CG GLU A 120 -8.157 -7.934 -16.534 1.00 64.24 C ATOM 1938 CD GLU A 120 -8.653 -6.531 -16.213 1.00 1.30 C ATOM 1939 OE1 GLU A 120 -9.404 -6.368 -15.230 1.00 12.41 O ATOM 1940 OE2 GLU A 120 -8.284 -5.578 -16.933 1.00 71.21 O ATOM 0 H GLU A 120 -5.421 -8.581 -17.314 1.00 45.14 H new ATOM 0 HA GLU A 120 -6.057 -6.573 -15.518 1.00 34.43 H new ATOM 0 HB2 GLU A 120 -6.906 -9.483 -15.744 1.00 73.24 H new ATOM 0 HB3 GLU A 120 -7.595 -8.428 -14.527 1.00 73.24 H new ATOM 0 HG2 GLU A 120 -7.706 -7.938 -17.526 1.00 64.24 H new ATOM 0 HG3 GLU A 120 -9.006 -8.617 -16.567 1.00 64.24 H new ATOM 1947 N GLU A 121 -4.524 -9.103 -14.014 1.00 72.32 N ATOM 1948 CA GLU A 121 -3.853 -9.492 -12.767 1.00 53.34 C ATOM 1949 C GLU A 121 -2.749 -8.494 -12.371 1.00 34.41 C ATOM 1950 O GLU A 121 -2.745 -7.968 -11.253 1.00 31.11 O ATOM 1951 CB GLU A 121 -3.264 -10.901 -12.894 1.00 13.20 C ATOM 1952 CG GLU A 121 -2.612 -11.404 -11.611 1.00 33.30 C ATOM 1953 CD GLU A 121 -1.961 -12.764 -11.771 1.00 4.42 C ATOM 1954 OE1 GLU A 121 -0.840 -12.830 -12.320 1.00 34.44 O ATOM 1955 OE2 GLU A 121 -2.552 -13.772 -11.336 1.00 55.44 O ATOM 0 H GLU A 121 -4.504 -9.815 -14.744 1.00 72.32 H new ATOM 0 HA GLU A 121 -4.606 -9.484 -11.979 1.00 53.34 H new ATOM 0 HB2 GLU A 121 -4.055 -11.592 -13.186 1.00 13.20 H new ATOM 0 HB3 GLU A 121 -2.524 -10.907 -13.695 1.00 13.20 H new ATOM 0 HG2 GLU A 121 -1.861 -10.684 -11.285 1.00 33.30 H new ATOM 0 HG3 GLU A 121 -3.365 -11.458 -10.824 1.00 33.30 H new ATOM 1962 N GLU A 122 -1.821 -8.225 -13.290 1.00 32.13 N ATOM 1963 CA GLU A 122 -0.723 -7.294 -13.013 1.00 23.23 C ATOM 1964 C GLU A 122 -1.253 -5.885 -12.707 1.00 65.30 C ATOM 1965 O GLU A 122 -0.766 -5.205 -11.798 1.00 75.02 O ATOM 1966 CB GLU A 122 0.257 -7.237 -14.191 1.00 33.01 C ATOM 1967 CG GLU A 122 1.477 -6.355 -13.926 1.00 51.21 C ATOM 1968 CD GLU A 122 2.458 -6.326 -15.086 1.00 21.24 C ATOM 1969 OE1 GLU A 122 3.168 -7.329 -15.296 1.00 25.11 O ATOM 1970 OE2 GLU A 122 2.534 -5.291 -15.786 1.00 4.31 O ATOM 0 H GLU A 122 -1.806 -8.633 -14.225 1.00 32.13 H new ATOM 0 HA GLU A 122 -0.195 -7.664 -12.134 1.00 23.23 H new ATOM 0 HB2 GLU A 122 0.593 -8.248 -14.424 1.00 33.01 H new ATOM 0 HB3 GLU A 122 -0.267 -6.865 -15.071 1.00 33.01 H new ATOM 0 HG2 GLU A 122 1.144 -5.339 -13.715 1.00 51.21 H new ATOM 0 HG3 GLU A 122 1.990 -6.714 -13.034 1.00 51.21 H new ATOM 1977 N MET A 123 -2.264 -5.453 -13.459 1.00 64.13 N ATOM 1978 CA MET A 123 -2.882 -4.146 -13.231 1.00 1.11 C ATOM 1979 C MET A 123 -3.597 -4.093 -11.873 1.00 31.13 C ATOM 1980 O MET A 123 -3.666 -3.039 -11.248 1.00 11.11 O ATOM 1981 CB MET A 123 -3.850 -3.796 -14.366 1.00 51.21 C ATOM 1982 CG MET A 123 -3.157 -3.569 -15.705 1.00 51.33 C ATOM 1983 SD MET A 123 -4.304 -3.054 -16.998 1.00 73.12 S ATOM 1984 CE MET A 123 -3.192 -2.888 -18.397 1.00 43.21 C ATOM 0 H MET A 123 -2.672 -5.985 -14.228 1.00 64.13 H new ATOM 0 HA MET A 123 -2.085 -3.402 -13.217 1.00 1.11 H new ATOM 0 HB2 MET A 123 -4.578 -4.600 -14.474 1.00 51.21 H new ATOM 0 HB3 MET A 123 -4.405 -2.898 -14.096 1.00 51.21 H new ATOM 0 HG2 MET A 123 -2.384 -2.810 -15.586 1.00 51.33 H new ATOM 0 HG3 MET A 123 -2.657 -4.488 -16.012 1.00 51.33 H new ATOM 0 HE1 MET A 123 -3.756 -2.574 -19.275 1.00 43.21 H new ATOM 0 HE2 MET A 123 -2.430 -2.143 -18.170 1.00 43.21 H new ATOM 0 HE3 MET A 123 -2.713 -3.847 -18.597 1.00 43.21 H new ATOM 1994 N LEU A 124 -4.116 -5.233 -11.417 1.00 51.43 N ATOM 1995 CA LEU A 124 -4.724 -5.322 -10.085 1.00 22.42 C ATOM 1996 C LEU A 124 -3.654 -5.277 -8.986 1.00 3.24 C ATOM 1997 O LEU A 124 -3.892 -4.739 -7.906 1.00 50.12 O ATOM 1998 CB LEU A 124 -5.576 -6.590 -9.946 1.00 72.54 C ATOM 1999 CG LEU A 124 -6.870 -6.610 -10.779 1.00 31.15 C ATOM 2000 CD1 LEU A 124 -7.633 -7.911 -10.553 1.00 12.12 C ATOM 2001 CD2 LEU A 124 -7.748 -5.402 -10.448 1.00 40.14 C ATOM 0 H LEU A 124 -4.129 -6.105 -11.946 1.00 51.43 H new ATOM 0 HA LEU A 124 -5.377 -4.457 -9.966 1.00 22.42 H new ATOM 0 HB2 LEU A 124 -4.968 -7.449 -10.230 1.00 72.54 H new ATOM 0 HB3 LEU A 124 -5.838 -6.718 -8.896 1.00 72.54 H new ATOM 0 HG LEU A 124 -6.598 -6.551 -11.833 1.00 31.15 H new ATOM 0 HD11 LEU A 124 -8.545 -7.907 -11.150 1.00 12.12 H new ATOM 0 HD12 LEU A 124 -7.009 -8.755 -10.849 1.00 12.12 H new ATOM 0 HD13 LEU A 124 -7.891 -8.003 -9.498 1.00 12.12 H new ATOM 0 HD21 LEU A 124 -8.657 -5.437 -11.049 1.00 40.14 H new ATOM 0 HD22 LEU A 124 -8.011 -5.422 -9.390 1.00 40.14 H new ATOM 0 HD23 LEU A 124 -7.203 -4.484 -10.669 1.00 40.14 H new ATOM 2013 N TYR A 125 -2.476 -5.842 -9.261 1.00 21.01 N ATOM 2014 CA TYR A 125 -1.333 -5.711 -8.347 1.00 31.50 C ATOM 2015 C TYR A 125 -0.989 -4.232 -8.109 1.00 4.24 C ATOM 2016 O TYR A 125 -0.918 -3.777 -6.966 1.00 42.30 O ATOM 2017 CB TYR A 125 -0.103 -6.456 -8.892 1.00 23.13 C ATOM 2018 CG TYR A 125 -0.049 -7.925 -8.506 1.00 62.33 C ATOM 2019 CD1 TYR A 125 0.297 -8.303 -7.212 1.00 12.14 C ATOM 2020 CD2 TYR A 125 -0.328 -8.930 -9.428 1.00 61.43 C ATOM 2021 CE1 TYR A 125 0.368 -9.632 -6.851 1.00 50.33 C ATOM 2022 CE2 TYR A 125 -0.262 -10.264 -9.070 1.00 54.24 C ATOM 2023 CZ TYR A 125 0.086 -10.608 -7.780 1.00 35.53 C ATOM 2024 OH TYR A 125 0.162 -11.936 -7.419 1.00 13.53 O ATOM 0 H TYR A 125 -2.287 -6.390 -10.100 1.00 21.01 H new ATOM 0 HA TYR A 125 -1.617 -6.161 -7.396 1.00 31.50 H new ATOM 0 HB2 TYR A 125 -0.095 -6.376 -9.979 1.00 23.13 H new ATOM 0 HB3 TYR A 125 0.798 -5.962 -8.529 1.00 23.13 H new ATOM 0 HD1 TYR A 125 0.514 -7.542 -6.477 1.00 12.14 H new ATOM 0 HD2 TYR A 125 -0.600 -8.664 -10.439 1.00 61.43 H new ATOM 0 HE1 TYR A 125 0.644 -9.906 -5.843 1.00 50.33 H new ATOM 0 HE2 TYR A 125 -0.482 -11.033 -9.796 1.00 54.24 H new ATOM 0 HH TYR A 125 0.701 -12.423 -8.076 1.00 13.53 H new ATOM 2034 N LYS A 126 -0.787 -3.484 -9.195 1.00 40.54 N ATOM 2035 CA LYS A 126 -0.498 -2.049 -9.089 1.00 43.31 C ATOM 2036 C LYS A 126 -1.750 -1.247 -8.694 1.00 23.54 C ATOM 2037 O LYS A 126 -1.647 -0.105 -8.255 1.00 74.24 O ATOM 2038 CB LYS A 126 0.100 -1.510 -10.396 1.00 1.35 C ATOM 2039 CG LYS A 126 -0.802 -1.667 -11.615 1.00 75.30 C ATOM 2040 CD LYS A 126 -0.151 -1.107 -12.880 1.00 15.45 C ATOM 2041 CE LYS A 126 1.185 -1.783 -13.177 1.00 31.15 C ATOM 2042 NZ LYS A 126 1.828 -1.241 -14.407 1.00 51.22 N ATOM 0 H LYS A 126 -0.817 -3.841 -10.150 1.00 40.54 H new ATOM 0 HA LYS A 126 0.240 -1.924 -8.297 1.00 43.31 H new ATOM 0 HB2 LYS A 126 0.333 -0.453 -10.266 1.00 1.35 H new ATOM 0 HB3 LYS A 126 1.042 -2.023 -10.588 1.00 1.35 H new ATOM 0 HG2 LYS A 126 -1.034 -2.722 -11.762 1.00 75.30 H new ATOM 0 HG3 LYS A 126 -1.747 -1.155 -11.436 1.00 75.30 H new ATOM 0 HD2 LYS A 126 -0.824 -1.244 -13.726 1.00 15.45 H new ATOM 0 HD3 LYS A 126 0.002 -0.034 -12.765 1.00 15.45 H new ATOM 0 HE2 LYS A 126 1.856 -1.647 -12.328 1.00 31.15 H new ATOM 0 HE3 LYS A 126 1.030 -2.856 -13.292 1.00 31.15 H new ATOM 0 HZ1 LYS A 126 2.732 -1.729 -14.570 1.00 51.22 H new ATOM 0 HZ2 LYS A 126 1.201 -1.393 -15.222 1.00 51.22 H new ATOM 0 HZ3 LYS A 126 2.001 -0.222 -14.288 1.00 51.22 H new ATOM 2056 N ASP A 127 -2.930 -1.845 -8.858 1.00 40.34 N ATOM 2057 CA ASP A 127 -4.177 -1.248 -8.363 1.00 55.01 C ATOM 2058 C ASP A 127 -4.222 -1.331 -6.828 1.00 45.24 C ATOM 2059 O ASP A 127 -4.632 -0.387 -6.153 1.00 53.34 O ATOM 2060 CB ASP A 127 -5.389 -1.956 -8.987 1.00 35.20 C ATOM 2061 CG ASP A 127 -6.720 -1.325 -8.607 1.00 54.42 C ATOM 2062 OD1 ASP A 127 -6.816 -0.078 -8.612 1.00 13.52 O ATOM 2063 OD2 ASP A 127 -7.683 -2.074 -8.329 1.00 62.41 O ATOM 0 H ASP A 127 -3.052 -2.742 -9.329 1.00 40.34 H new ATOM 0 HA ASP A 127 -4.212 -0.198 -8.653 1.00 55.01 H new ATOM 0 HB2 ASP A 127 -5.287 -1.946 -10.072 1.00 35.20 H new ATOM 0 HB3 ASP A 127 -5.389 -3.001 -8.677 1.00 35.20 H new ATOM 2068 N MET A 128 -3.773 -2.467 -6.284 1.00 73.13 N ATOM 2069 CA MET A 128 -3.644 -2.634 -4.832 1.00 72.23 C ATOM 2070 C MET A 128 -2.519 -1.746 -4.284 1.00 63.31 C ATOM 2071 O MET A 128 -2.677 -1.097 -3.255 1.00 54.04 O ATOM 2072 CB MET A 128 -3.376 -4.101 -4.471 1.00 23.14 C ATOM 2073 CG MET A 128 -4.511 -5.043 -4.845 1.00 71.35 C ATOM 2074 SD MET A 128 -4.258 -6.720 -4.234 1.00 13.12 S ATOM 2075 CE MET A 128 -2.741 -7.181 -5.071 1.00 61.20 C ATOM 0 H MET A 128 -3.493 -3.284 -6.827 1.00 73.13 H new ATOM 0 HA MET A 128 -4.586 -2.331 -4.376 1.00 72.23 H new ATOM 0 HB2 MET A 128 -2.465 -4.428 -4.972 1.00 23.14 H new ATOM 0 HB3 MET A 128 -3.194 -4.174 -3.399 1.00 23.14 H new ATOM 0 HG2 MET A 128 -5.447 -4.653 -4.445 1.00 71.35 H new ATOM 0 HG3 MET A 128 -4.613 -5.068 -5.930 1.00 71.35 H new ATOM 0 HE1 MET A 128 -2.444 -8.183 -4.760 1.00 61.20 H new ATOM 0 HE2 MET A 128 -2.902 -7.168 -6.149 1.00 61.20 H new ATOM 0 HE3 MET A 128 -1.954 -6.473 -4.813 1.00 61.20 H new ATOM 2085 N GLN A 129 -1.381 -1.731 -4.980 1.00 2.43 N ATOM 2086 CA GLN A 129 -0.270 -0.837 -4.634 1.00 54.41 C ATOM 2087 C GLN A 129 -0.735 0.628 -4.619 1.00 34.22 C ATOM 2088 O GLN A 129 -0.577 1.329 -3.621 1.00 23.32 O ATOM 2089 CB GLN A 129 0.897 -1.044 -5.626 1.00 33.42 C ATOM 2090 CG GLN A 129 1.988 0.032 -5.576 1.00 14.34 C ATOM 2091 CD GLN A 129 1.713 1.207 -6.510 1.00 63.34 C ATOM 2092 OE1 GLN A 129 1.113 1.049 -7.570 1.00 44.43 O ATOM 2093 NE2 GLN A 129 2.132 2.390 -6.121 1.00 30.14 N ATOM 0 H GLN A 129 -1.203 -2.328 -5.788 1.00 2.43 H new ATOM 0 HA GLN A 129 0.082 -1.080 -3.631 1.00 54.41 H new ATOM 0 HB2 GLN A 129 1.354 -2.013 -5.428 1.00 33.42 H new ATOM 0 HB3 GLN A 129 0.492 -1.083 -6.637 1.00 33.42 H new ATOM 0 HG2 GLN A 129 2.079 0.401 -4.555 1.00 14.34 H new ATOM 0 HG3 GLN A 129 2.946 -0.417 -5.839 1.00 14.34 H new ATOM 0 HE21 GLN A 129 2.628 2.490 -5.235 1.00 30.14 H new ATOM 0 HE22 GLN A 129 1.962 3.209 -6.705 1.00 30.14 H new ATOM 2102 N LYS A 130 -1.321 1.066 -5.734 1.00 74.54 N ATOM 2103 CA LYS A 130 -1.866 2.424 -5.864 1.00 11.14 C ATOM 2104 C LYS A 130 -2.831 2.759 -4.716 1.00 14.55 C ATOM 2105 O LYS A 130 -2.643 3.741 -4.000 1.00 21.54 O ATOM 2106 CB LYS A 130 -2.587 2.562 -7.215 1.00 72.40 C ATOM 2107 CG LYS A 130 -3.403 3.843 -7.376 1.00 65.33 C ATOM 2108 CD LYS A 130 -4.016 3.947 -8.774 1.00 43.53 C ATOM 2109 CE LYS A 130 -4.858 2.721 -9.131 1.00 50.25 C ATOM 2110 NZ LYS A 130 -6.034 2.557 -8.233 1.00 1.11 N ATOM 0 H LYS A 130 -1.433 0.494 -6.571 1.00 74.54 H new ATOM 0 HA LYS A 130 -1.036 3.129 -5.815 1.00 11.14 H new ATOM 0 HB2 LYS A 130 -1.846 2.517 -8.013 1.00 72.40 H new ATOM 0 HB3 LYS A 130 -3.250 1.707 -7.347 1.00 72.40 H new ATOM 0 HG2 LYS A 130 -4.195 3.867 -6.628 1.00 65.33 H new ATOM 0 HG3 LYS A 130 -2.765 4.707 -7.192 1.00 65.33 H new ATOM 0 HD2 LYS A 130 -4.637 4.841 -8.830 1.00 43.53 H new ATOM 0 HD3 LYS A 130 -3.220 4.065 -9.509 1.00 43.53 H new ATOM 0 HE2 LYS A 130 -5.201 2.807 -10.162 1.00 50.25 H new ATOM 0 HE3 LYS A 130 -4.235 1.828 -9.076 1.00 50.25 H new ATOM 0 HZ1 LYS A 130 -6.504 1.652 -8.438 1.00 1.11 H new ATOM 0 HZ2 LYS A 130 -5.718 2.566 -7.242 1.00 1.11 H new ATOM 0 HZ3 LYS A 130 -6.703 3.338 -8.390 1.00 1.11 H new ATOM 2124 N ASP A 131 -3.855 1.932 -4.544 1.00 54.31 N ATOM 2125 CA ASP A 131 -4.869 2.160 -3.513 1.00 25.32 C ATOM 2126 C ASP A 131 -4.246 2.169 -2.106 1.00 65.43 C ATOM 2127 O ASP A 131 -4.360 3.149 -1.373 1.00 12.51 O ATOM 2128 CB ASP A 131 -5.953 1.082 -3.609 1.00 20.34 C ATOM 2129 CG ASP A 131 -7.185 1.417 -2.786 1.00 43.44 C ATOM 2130 OD1 ASP A 131 -7.978 2.277 -3.230 1.00 4.22 O ATOM 2131 OD2 ASP A 131 -7.380 0.804 -1.719 1.00 1.12 O ATOM 0 H ASP A 131 -4.008 1.094 -5.105 1.00 54.31 H new ATOM 0 HA ASP A 131 -5.316 3.139 -3.682 1.00 25.32 H new ATOM 0 HB2 ASP A 131 -6.241 0.954 -4.652 1.00 20.34 H new ATOM 0 HB3 ASP A 131 -5.544 0.130 -3.272 1.00 20.34 H new ATOM 2136 N ALA A 132 -3.561 1.079 -1.754 1.00 71.44 N ATOM 2137 CA ALA A 132 -2.952 0.924 -0.428 1.00 21.34 C ATOM 2138 C ALA A 132 -2.059 2.117 -0.055 1.00 30.34 C ATOM 2139 O ALA A 132 -2.170 2.669 1.042 1.00 2.32 O ATOM 2140 CB ALA A 132 -2.147 -0.373 -0.365 1.00 34.50 C ATOM 0 H ALA A 132 -3.412 0.283 -2.374 1.00 71.44 H new ATOM 0 HA ALA A 132 -3.764 0.885 0.298 1.00 21.34 H new ATOM 0 HB1 ALA A 132 -1.700 -0.476 0.624 1.00 34.50 H new ATOM 0 HB2 ALA A 132 -2.806 -1.220 -0.556 1.00 34.50 H new ATOM 0 HB3 ALA A 132 -1.359 -0.349 -1.118 1.00 34.50 H new ATOM 2146 N VAL A 133 -1.181 2.523 -0.967 1.00 70.15 N ATOM 2147 CA VAL A 133 -0.250 3.616 -0.685 1.00 51.14 C ATOM 2148 C VAL A 133 -0.989 4.965 -0.517 1.00 74.24 C ATOM 2149 O VAL A 133 -0.492 5.877 0.148 1.00 70.35 O ATOM 2150 CB VAL A 133 0.850 3.716 -1.772 1.00 24.00 C ATOM 2151 CG1 VAL A 133 0.293 4.255 -3.085 1.00 14.40 C ATOM 2152 CG2 VAL A 133 2.029 4.552 -1.278 1.00 65.11 C ATOM 0 H VAL A 133 -1.093 2.118 -1.899 1.00 70.15 H new ATOM 0 HA VAL A 133 0.237 3.388 0.263 1.00 51.14 H new ATOM 0 HB VAL A 133 1.215 2.708 -1.969 1.00 24.00 H new ATOM 0 HG11 VAL A 133 1.093 4.311 -3.824 1.00 14.40 H new ATOM 0 HG12 VAL A 133 -0.490 3.590 -3.448 1.00 14.40 H new ATOM 0 HG13 VAL A 133 -0.122 5.250 -2.923 1.00 14.40 H new ATOM 0 HG21 VAL A 133 2.788 4.608 -2.058 1.00 65.11 H new ATOM 0 HG22 VAL A 133 1.685 5.557 -1.034 1.00 65.11 H new ATOM 0 HG23 VAL A 133 2.456 4.089 -0.389 1.00 65.11 H new ATOM 2162 N GLN A 134 -2.188 5.084 -1.104 1.00 65.25 N ATOM 2163 CA GLN A 134 -3.050 6.253 -0.860 1.00 4.44 C ATOM 2164 C GLN A 134 -3.704 6.151 0.528 1.00 12.12 C ATOM 2165 O GLN A 134 -3.817 7.141 1.252 1.00 50.01 O ATOM 2166 CB GLN A 134 -4.157 6.380 -1.926 1.00 32.03 C ATOM 2167 CG GLN A 134 -3.665 6.504 -3.368 1.00 13.45 C ATOM 2168 CD GLN A 134 -2.628 7.595 -3.564 1.00 52.32 C ATOM 2169 OE1 GLN A 134 -1.368 7.225 -3.497 1.00 43.03 O flip ATOM 2170 NE2 GLN A 134 -2.953 8.755 -3.802 1.00 51.15 N flip ATOM 0 H GLN A 134 -2.581 4.394 -1.744 1.00 65.25 H new ATOM 0 HA GLN A 134 -2.415 7.138 -0.912 1.00 4.44 H new ATOM 0 HB2 GLN A 134 -4.808 5.509 -1.855 1.00 32.03 H new ATOM 0 HB3 GLN A 134 -4.766 7.253 -1.691 1.00 32.03 H new ATOM 0 HG2 GLN A 134 -3.241 5.550 -3.682 1.00 13.45 H new ATOM 0 HG3 GLN A 134 -4.517 6.703 -4.018 1.00 13.45 H new ATOM 0 HE21 GLN A 134 -3.940 9.009 -3.847 1.00 51.15 H new ATOM 0 HE22 GLN A 134 -2.236 9.464 -3.955 1.00 51.15 H new ATOM 2179 N GLN A 135 -4.131 4.937 0.887 1.00 23.44 N ATOM 2180 CA GLN A 135 -4.766 4.673 2.191 1.00 2.21 C ATOM 2181 C GLN A 135 -3.853 5.094 3.354 1.00 43.43 C ATOM 2182 O GLN A 135 -4.302 5.716 4.319 1.00 0.13 O ATOM 2183 CB GLN A 135 -5.111 3.181 2.319 1.00 71.05 C ATOM 2184 CG GLN A 135 -5.967 2.639 1.174 1.00 13.21 C ATOM 2185 CD GLN A 135 -7.418 3.093 1.223 1.00 5.43 C ATOM 2186 OE1 GLN A 135 -7.746 4.148 1.761 1.00 24.51 O ATOM 2187 NE2 GLN A 135 -8.296 2.318 0.620 1.00 54.00 N ATOM 0 H GLN A 135 -4.050 4.113 0.291 1.00 23.44 H new ATOM 0 HA GLN A 135 -5.680 5.265 2.242 1.00 2.21 H new ATOM 0 HB2 GLN A 135 -4.185 2.608 2.369 1.00 71.05 H new ATOM 0 HB3 GLN A 135 -5.637 3.020 3.260 1.00 71.05 H new ATOM 0 HG2 GLN A 135 -5.530 2.953 0.226 1.00 13.21 H new ATOM 0 HG3 GLN A 135 -5.936 1.550 1.194 1.00 13.21 H new ATOM 0 HE21 GLN A 135 -7.993 1.448 0.182 1.00 54.00 H new ATOM 0 HE22 GLN A 135 -9.279 2.588 0.591 1.00 54.00 H new ATOM 2196 N ILE A 136 -2.569 4.750 3.244 1.00 54.23 N ATOM 2197 CA ILE A 136 -1.564 5.159 4.234 1.00 40.22 C ATOM 2198 C ILE A 136 -1.556 6.687 4.403 1.00 34.54 C ATOM 2199 O ILE A 136 -1.791 7.206 5.495 1.00 23.03 O ATOM 2200 CB ILE A 136 -0.144 4.686 3.820 1.00 31.50 C ATOM 2201 CG1 ILE A 136 -0.108 3.156 3.654 1.00 54.42 C ATOM 2202 CG2 ILE A 136 0.901 5.145 4.840 1.00 72.01 C ATOM 2203 CD1 ILE A 136 1.225 2.617 3.171 1.00 30.01 C ATOM 0 H ILE A 136 -2.197 4.188 2.478 1.00 54.23 H new ATOM 0 HA ILE A 136 -1.832 4.691 5.181 1.00 40.22 H new ATOM 0 HB ILE A 136 0.099 5.140 2.859 1.00 31.50 H new ATOM 0 HG12 ILE A 136 -0.351 2.692 4.610 1.00 54.42 H new ATOM 0 HG13 ILE A 136 -0.885 2.859 2.949 1.00 54.42 H new ATOM 0 HG21 ILE A 136 1.888 4.802 4.529 1.00 72.01 H new ATOM 0 HG22 ILE A 136 0.897 6.233 4.900 1.00 72.01 H new ATOM 0 HG23 ILE A 136 0.663 4.727 5.818 1.00 72.01 H new ATOM 0 HD11 ILE A 136 1.167 1.532 3.080 1.00 30.01 H new ATOM 0 HD12 ILE A 136 1.462 3.051 2.199 1.00 30.01 H new ATOM 0 HD13 ILE A 136 2.005 2.880 3.886 1.00 30.01 H new ATOM 2215 N LEU A 137 -1.308 7.397 3.301 1.00 11.22 N ATOM 2216 CA LEU A 137 -1.281 8.867 3.300 1.00 20.14 C ATOM 2217 C LEU A 137 -2.590 9.464 3.852 1.00 23.31 C ATOM 2218 O LEU A 137 -2.579 10.456 4.584 1.00 53.41 O ATOM 2219 CB LEU A 137 -1.038 9.376 1.872 1.00 74.15 C ATOM 2220 CG LEU A 137 -1.089 10.903 1.693 1.00 72.34 C ATOM 2221 CD1 LEU A 137 -0.012 11.582 2.539 1.00 52.24 C ATOM 2222 CD2 LEU A 137 -0.938 11.280 0.221 1.00 44.02 C ATOM 0 H LEU A 137 -1.121 6.977 2.390 1.00 11.22 H new ATOM 0 HA LEU A 137 -0.470 9.188 3.953 1.00 20.14 H new ATOM 0 HB2 LEU A 137 -0.062 9.022 1.540 1.00 74.15 H new ATOM 0 HB3 LEU A 137 -1.781 8.926 1.214 1.00 74.15 H new ATOM 0 HG LEU A 137 -2.063 11.254 2.035 1.00 72.34 H new ATOM 0 HD11 LEU A 137 -0.065 12.662 2.398 1.00 52.24 H new ATOM 0 HD12 LEU A 137 -0.172 11.345 3.591 1.00 52.24 H new ATOM 0 HD13 LEU A 137 0.971 11.224 2.232 1.00 52.24 H new ATOM 0 HD21 LEU A 137 -0.977 12.364 0.117 1.00 44.02 H new ATOM 0 HD22 LEU A 137 0.018 10.914 -0.152 1.00 44.02 H new ATOM 0 HD23 LEU A 137 -1.748 10.831 -0.354 1.00 44.02 H new ATOM 2234 N ARG A 138 -3.712 8.845 3.499 1.00 3.00 N ATOM 2235 CA ARG A 138 -5.032 9.301 3.943 1.00 42.50 C ATOM 2236 C ARG A 138 -5.122 9.337 5.480 1.00 13.42 C ATOM 2237 O ARG A 138 -5.602 10.308 6.064 1.00 20.45 O ATOM 2238 CB ARG A 138 -6.115 8.381 3.363 1.00 54.40 C ATOM 2239 CG ARG A 138 -7.544 8.889 3.548 1.00 12.02 C ATOM 2240 CD ARG A 138 -8.575 7.874 3.056 1.00 72.23 C ATOM 2241 NE ARG A 138 -9.935 8.413 3.084 1.00 21.14 N ATOM 2242 CZ ARG A 138 -10.926 7.893 3.760 1.00 14.24 C ATOM 2243 NH1 ARG A 138 -10.744 6.853 4.510 1.00 60.51 N ATOM 2244 NH2 ARG A 138 -12.098 8.431 3.688 1.00 24.22 N ATOM 0 H ARG A 138 -3.737 8.019 2.902 1.00 3.00 H new ATOM 0 HA ARG A 138 -5.189 10.317 3.580 1.00 42.50 H new ATOM 0 HB2 ARG A 138 -5.926 8.245 2.298 1.00 54.40 H new ATOM 0 HB3 ARG A 138 -6.028 7.400 3.830 1.00 54.40 H new ATOM 0 HG2 ARG A 138 -7.720 9.104 4.602 1.00 12.02 H new ATOM 0 HG3 ARG A 138 -7.670 9.826 3.006 1.00 12.02 H new ATOM 0 HD2 ARG A 138 -8.327 7.570 2.039 1.00 72.23 H new ATOM 0 HD3 ARG A 138 -8.527 6.979 3.677 1.00 72.23 H new ATOM 0 HE ARG A 138 -10.123 9.254 2.538 1.00 21.14 H new ATOM 0 HH11 ARG A 138 -9.819 6.429 4.579 1.00 60.51 H new ATOM 0 HH12 ARG A 138 -11.526 6.458 5.032 1.00 60.51 H new ATOM 0 HH21 ARG A 138 -12.246 9.256 3.107 1.00 24.22 H new ATOM 0 HH22 ARG A 138 -12.876 8.031 4.213 1.00 24.22 H new ATOM 2258 N GLN A 139 -4.644 8.276 6.131 1.00 34.53 N ATOM 2259 CA GLN A 139 -4.626 8.217 7.599 1.00 43.22 C ATOM 2260 C GLN A 139 -3.522 9.125 8.182 1.00 0.52 C ATOM 2261 O GLN A 139 -3.695 9.723 9.245 1.00 54.23 O ATOM 2262 CB GLN A 139 -4.433 6.768 8.077 1.00 31.31 C ATOM 2263 CG GLN A 139 -4.492 6.598 9.597 1.00 4.12 C ATOM 2264 CD GLN A 139 -5.850 6.944 10.195 1.00 64.54 C ATOM 2265 OE1 GLN A 139 -6.891 6.771 9.568 1.00 51.20 O ATOM 2266 NE2 GLN A 139 -5.849 7.429 11.422 1.00 22.00 N ATOM 0 H GLN A 139 -4.265 7.448 5.671 1.00 34.53 H new ATOM 0 HA GLN A 139 -5.588 8.581 7.960 1.00 43.22 H new ATOM 0 HB2 GLN A 139 -5.200 6.142 7.622 1.00 31.31 H new ATOM 0 HB3 GLN A 139 -3.470 6.404 7.719 1.00 31.31 H new ATOM 0 HG2 GLN A 139 -4.245 5.567 9.849 1.00 4.12 H new ATOM 0 HG3 GLN A 139 -3.731 7.229 10.055 1.00 4.12 H new ATOM 0 HE21 GLN A 139 -4.967 7.561 11.917 1.00 22.00 H new ATOM 0 HE22 GLN A 139 -6.730 7.672 11.875 1.00 22.00 H new ATOM 2275 N VAL A 140 -2.395 9.234 7.473 1.00 52.12 N ATOM 2276 CA VAL A 140 -1.293 10.124 7.884 1.00 11.45 C ATOM 2277 C VAL A 140 -1.735 11.600 7.905 1.00 14.13 C ATOM 2278 O VAL A 140 -1.167 12.424 8.619 1.00 41.44 O ATOM 2279 CB VAL A 140 -0.053 9.957 6.958 1.00 43.43 C ATOM 2280 CG1 VAL A 140 1.045 10.963 7.304 1.00 24.53 C ATOM 2281 CG2 VAL A 140 0.487 8.530 7.038 1.00 73.42 C ATOM 0 H VAL A 140 -2.217 8.719 6.611 1.00 52.12 H new ATOM 0 HA VAL A 140 -1.013 9.833 8.897 1.00 11.45 H new ATOM 0 HB VAL A 140 -0.375 10.154 5.936 1.00 43.43 H new ATOM 0 HG11 VAL A 140 1.895 10.817 6.638 1.00 24.53 H new ATOM 0 HG12 VAL A 140 0.661 11.976 7.186 1.00 24.53 H new ATOM 0 HG13 VAL A 140 1.363 10.814 8.336 1.00 24.53 H new ATOM 0 HG21 VAL A 140 1.354 8.432 6.384 1.00 73.42 H new ATOM 0 HG22 VAL A 140 0.780 8.309 8.064 1.00 73.42 H new ATOM 0 HG23 VAL A 140 -0.287 7.830 6.723 1.00 73.42 H new ATOM 2291 N SER A 141 -2.759 11.932 7.123 1.00 2.34 N ATOM 2292 CA SER A 141 -3.332 13.288 7.131 1.00 3.31 C ATOM 2293 C SER A 141 -4.597 13.362 8.002 1.00 13.00 C ATOM 2294 O SER A 141 -5.227 14.417 8.112 1.00 45.24 O ATOM 2295 CB SER A 141 -3.661 13.738 5.698 1.00 32.22 C ATOM 2296 OG SER A 141 -4.590 12.858 5.081 1.00 32.35 O ATOM 0 H SER A 141 -3.212 11.288 6.475 1.00 2.34 H new ATOM 0 HA SER A 141 -2.585 13.957 7.559 1.00 3.31 H new ATOM 0 HB2 SER A 141 -4.071 14.748 5.717 1.00 32.22 H new ATOM 0 HB3 SER A 141 -2.746 13.776 5.107 1.00 32.22 H new ATOM 0 HG SER A 141 -4.805 12.126 5.696 1.00 32.35 H new ATOM 2302 N ALA A 142 -4.963 12.244 8.636 1.00 41.20 N ATOM 2303 CA ALA A 142 -6.191 12.178 9.446 1.00 34.04 C ATOM 2304 C ALA A 142 -5.941 11.655 10.875 1.00 70.41 C ATOM 2305 O ALA A 142 -6.883 11.496 11.652 1.00 73.31 O ATOM 2306 CB ALA A 142 -7.221 11.303 8.742 1.00 73.01 C ATOM 0 H ALA A 142 -4.432 11.374 8.607 1.00 41.20 H new ATOM 0 HA ALA A 142 -6.566 13.196 9.546 1.00 34.04 H new ATOM 0 HB1 ALA A 142 -8.129 11.255 9.343 1.00 73.01 H new ATOM 0 HB2 ALA A 142 -7.454 11.729 7.766 1.00 73.01 H new ATOM 0 HB3 ALA A 142 -6.818 10.299 8.613 1.00 73.01 H new ATOM 2312 N PHE A 143 -4.678 11.406 11.231 1.00 61.30 N ATOM 2313 CA PHE A 143 -4.336 10.868 12.561 1.00 54.33 C ATOM 2314 C PHE A 143 -4.848 11.766 13.706 1.00 65.41 C ATOM 2315 O PHE A 143 -5.028 11.305 14.834 1.00 4.34 O ATOM 2316 CB PHE A 143 -2.816 10.679 12.691 1.00 1.23 C ATOM 2317 CG PHE A 143 -2.026 11.972 12.682 1.00 50.41 C ATOM 2318 CD1 PHE A 143 -1.572 12.516 11.492 1.00 52.15 C ATOM 2319 CD2 PHE A 143 -1.740 12.638 13.867 1.00 53.32 C ATOM 2320 CE1 PHE A 143 -0.850 13.695 11.481 1.00 51.10 C ATOM 2321 CE2 PHE A 143 -1.019 13.818 13.860 1.00 23.14 C ATOM 2322 CZ PHE A 143 -0.575 14.347 12.665 1.00 53.03 C ATOM 0 H PHE A 143 -3.875 11.566 10.623 1.00 61.30 H new ATOM 0 HA PHE A 143 -4.834 9.902 12.649 1.00 54.33 H new ATOM 0 HB2 PHE A 143 -2.606 10.144 13.617 1.00 1.23 H new ATOM 0 HB3 PHE A 143 -2.468 10.048 11.873 1.00 1.23 H new ATOM 0 HD1 PHE A 143 -1.785 12.013 10.560 1.00 52.15 H new ATOM 0 HD2 PHE A 143 -2.085 12.229 14.805 1.00 53.32 H new ATOM 0 HE1 PHE A 143 -0.501 14.106 10.545 1.00 51.10 H new ATOM 0 HE2 PHE A 143 -0.804 14.325 14.789 1.00 23.14 H new ATOM 0 HZ PHE A 143 -0.013 15.269 12.657 1.00 53.03 H new ATOM 2332 N THR A 144 -5.077 13.044 13.408 1.00 45.34 N ATOM 2333 CA THR A 144 -5.502 14.022 14.425 1.00 64.30 C ATOM 2334 C THR A 144 -7.019 13.961 14.701 1.00 44.34 C ATOM 2335 O THR A 144 -7.511 14.578 15.647 1.00 52.15 O ATOM 2336 CB THR A 144 -5.117 15.464 14.007 1.00 54.33 C ATOM 2337 OG1 THR A 144 -5.418 16.387 15.063 1.00 63.33 O ATOM 2338 CG2 THR A 144 -5.848 15.888 12.736 1.00 41.11 C ATOM 0 H THR A 144 -4.977 13.433 12.470 1.00 45.34 H new ATOM 0 HA THR A 144 -4.978 13.755 15.343 1.00 64.30 H new ATOM 0 HB THR A 144 -4.045 15.474 13.809 1.00 54.33 H new ATOM 0 HG1 THR A 144 -6.144 16.028 15.615 1.00 63.33 H new ATOM 0 HG21 THR A 144 -5.556 16.904 12.470 1.00 41.11 H new ATOM 0 HG22 THR A 144 -5.587 15.211 11.923 1.00 41.11 H new ATOM 0 HG23 THR A 144 -6.924 15.853 12.906 1.00 41.11 H new