USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0.262 (180deg=0.177) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= -1.32 (180deg=-3.35!) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0413) USER MOD Single : A 20 THR OG1 : rot -44:sc= 0.872 USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00736) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0.753 (180deg=0.102) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= 0.428 (180deg=-0.643) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0.118 (180deg=-0.199) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -151:sc= -0.334 (180deg=-1.95) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.866 (180deg=0.707) USER MOD Single : A 58 MET CE :methyl -130:sc= -4.17! (180deg=-5.5!) USER MOD Single : A 60 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 61 MET CE :methyl -159:sc= -2.1 (180deg=-4.29!) USER MOD Single : A 62 TYR OH : rot 86:sc= 0.405 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.493 (180deg=-1.78!) USER MOD Single : A 67 ASN : amide:sc= -0.973! K(o=-0.97!,f=-0.053) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.14) USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 0.216 (180deg=0.068) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.541 (180deg=0.523) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.900 -14.107 8.454 1.00 64.25 N ATOM 114 CA LYS A 7 0.459 -13.604 8.822 1.00 10.23 C ATOM 115 C LYS A 7 1.104 -12.792 7.671 1.00 4.11 C ATOM 116 O LYS A 7 1.943 -11.914 7.903 1.00 52.52 O ATOM 117 CB LYS A 7 1.361 -14.766 9.349 1.00 15.52 C ATOM 118 CG LYS A 7 1.214 -15.023 10.881 1.00 21.43 C ATOM 119 CD LYS A 7 -0.253 -15.259 11.342 1.00 12.40 C ATOM 120 CE LYS A 7 -0.419 -15.238 12.872 1.00 64.01 C ATOM 121 NZ LYS A 7 -0.097 -13.914 13.455 1.00 71.44 N ATOM 0 HA LYS A 7 0.352 -12.900 9.647 1.00 10.23 H new ATOM 0 HB2 LYS A 7 1.113 -15.680 8.810 1.00 15.52 H new ATOM 0 HB3 LYS A 7 2.403 -14.536 9.126 1.00 15.52 H new ATOM 0 HG2 LYS A 7 1.814 -15.891 11.153 1.00 21.43 H new ATOM 0 HG3 LYS A 7 1.622 -14.170 11.423 1.00 21.43 H new ATOM 0 HD2 LYS A 7 -0.892 -14.493 10.903 1.00 12.40 H new ATOM 0 HD3 LYS A 7 -0.597 -16.220 10.959 1.00 12.40 H new ATOM 0 HE2 LYS A 7 -1.444 -15.505 13.128 1.00 64.01 H new ATOM 0 HE3 LYS A 7 0.228 -15.995 13.316 1.00 64.01 H new ATOM 0 HZ1 LYS A 7 -0.352 -13.908 14.463 1.00 71.44 H new ATOM 0 HZ2 LYS A 7 0.921 -13.728 13.354 1.00 71.44 H new ATOM 0 HZ3 LYS A 7 -0.635 -13.176 12.958 1.00 71.44 H new ATOM 135 N LEU A 8 0.694 -13.127 6.448 1.00 5.25 N ATOM 136 CA LEU A 8 0.918 -12.321 5.225 1.00 73.41 C ATOM 137 C LEU A 8 0.398 -10.871 5.448 1.00 34.11 C ATOM 138 O LEU A 8 1.101 -9.895 5.178 1.00 72.23 O ATOM 139 CB LEU A 8 0.141 -13.053 4.078 1.00 22.12 C ATOM 140 CG LEU A 8 0.316 -12.629 2.579 1.00 72.14 C ATOM 141 CD1 LEU A 8 -0.295 -13.723 1.669 1.00 64.43 C ATOM 142 CD2 LEU A 8 -0.331 -11.262 2.242 1.00 74.11 C ATOM 0 H LEU A 8 0.181 -13.989 6.264 1.00 5.25 H new ATOM 0 HA LEU A 8 1.974 -12.235 4.970 1.00 73.41 H new ATOM 0 HB2 LEU A 8 0.400 -14.110 4.142 1.00 22.12 H new ATOM 0 HB3 LEU A 8 -0.921 -12.971 4.310 1.00 22.12 H new ATOM 0 HG LEU A 8 1.386 -12.519 2.404 1.00 72.14 H new ATOM 0 HD11 LEU A 8 -0.177 -13.435 0.624 1.00 64.43 H new ATOM 0 HD12 LEU A 8 0.216 -14.670 1.844 1.00 64.43 H new ATOM 0 HD13 LEU A 8 -1.355 -13.836 1.897 1.00 64.43 H new ATOM 0 HD21 LEU A 8 -0.171 -11.033 1.188 1.00 74.11 H new ATOM 0 HD22 LEU A 8 -1.401 -11.306 2.445 1.00 74.11 H new ATOM 0 HD23 LEU A 8 0.123 -10.484 2.855 1.00 74.11 H new ATOM 154 N LEU A 9 -0.833 -10.768 5.987 1.00 41.11 N ATOM 155 CA LEU A 9 -1.489 -9.470 6.259 1.00 54.55 C ATOM 156 C LEU A 9 -0.815 -8.712 7.427 1.00 53.42 C ATOM 157 O LEU A 9 -0.674 -7.499 7.363 1.00 72.21 O ATOM 158 CB LEU A 9 -2.998 -9.662 6.565 1.00 13.12 C ATOM 159 CG LEU A 9 -3.823 -10.515 5.553 1.00 54.15 C ATOM 160 CD1 LEU A 9 -5.328 -10.484 5.901 1.00 61.53 C ATOM 161 CD2 LEU A 9 -3.567 -10.094 4.085 1.00 25.11 C ATOM 0 H LEU A 9 -1.399 -11.576 6.245 1.00 41.11 H new ATOM 0 HA LEU A 9 -1.379 -8.869 5.356 1.00 54.55 H new ATOM 0 HB2 LEU A 9 -3.088 -10.123 7.549 1.00 13.12 H new ATOM 0 HB3 LEU A 9 -3.458 -8.676 6.631 1.00 13.12 H new ATOM 0 HG LEU A 9 -3.479 -11.545 5.644 1.00 54.15 H new ATOM 0 HD11 LEU A 9 -5.881 -11.086 5.180 1.00 61.53 H new ATOM 0 HD12 LEU A 9 -5.478 -10.888 6.902 1.00 61.53 H new ATOM 0 HD13 LEU A 9 -5.688 -9.456 5.867 1.00 61.53 H new ATOM 0 HD21 LEU A 9 -4.164 -10.717 3.419 1.00 25.11 H new ATOM 0 HD22 LEU A 9 -3.847 -9.049 3.952 1.00 25.11 H new ATOM 0 HD23 LEU A 9 -2.510 -10.220 3.849 1.00 25.11 H new ATOM 173 N GLU A 10 -0.358 -9.447 8.463 1.00 51.40 N ATOM 174 CA GLU A 10 0.193 -8.848 9.713 1.00 64.31 C ATOM 175 C GLU A 10 1.290 -7.781 9.439 1.00 4.43 C ATOM 176 O GLU A 10 1.324 -6.746 10.100 1.00 1.30 O ATOM 177 CB GLU A 10 0.753 -9.964 10.637 1.00 2.05 C ATOM 178 CG GLU A 10 -0.298 -10.983 11.156 1.00 3.21 C ATOM 179 CD GLU A 10 -1.158 -10.500 12.341 1.00 43.24 C ATOM 180 OE1 GLU A 10 -1.804 -9.433 12.246 1.00 60.34 O ATOM 181 OE2 GLU A 10 -1.220 -11.205 13.371 1.00 13.10 O ATOM 0 H GLU A 10 -0.357 -10.467 8.464 1.00 51.40 H new ATOM 0 HA GLU A 10 -0.631 -8.335 10.209 1.00 64.31 H new ATOM 0 HB2 GLU A 10 1.526 -10.508 10.095 1.00 2.05 H new ATOM 0 HB3 GLU A 10 1.235 -9.495 11.495 1.00 2.05 H new ATOM 0 HG2 GLU A 10 -0.961 -11.247 10.332 1.00 3.21 H new ATOM 0 HG3 GLU A 10 0.220 -11.895 11.453 1.00 3.21 H new ATOM 188 N LYS A 11 2.189 -8.060 8.479 1.00 20.54 N ATOM 189 CA LYS A 11 3.198 -7.072 8.001 1.00 11.12 C ATOM 190 C LYS A 11 2.614 -6.064 6.958 1.00 64.54 C ATOM 191 O LYS A 11 3.071 -4.916 6.874 1.00 45.11 O ATOM 192 CB LYS A 11 4.442 -7.804 7.439 1.00 23.05 C ATOM 193 CG LYS A 11 4.186 -8.720 6.227 1.00 13.13 C ATOM 194 CD LYS A 11 5.470 -9.440 5.719 1.00 51.15 C ATOM 195 CE LYS A 11 6.473 -8.516 4.981 1.00 32.10 C ATOM 196 NZ LYS A 11 7.086 -7.457 5.840 1.00 54.34 N ATOM 0 H LYS A 11 2.245 -8.964 8.011 1.00 20.54 H new ATOM 0 HA LYS A 11 3.498 -6.476 8.863 1.00 11.12 H new ATOM 0 HB2 LYS A 11 5.184 -7.057 7.157 1.00 23.05 H new ATOM 0 HB3 LYS A 11 4.880 -8.402 8.238 1.00 23.05 H new ATOM 0 HG2 LYS A 11 3.440 -9.468 6.496 1.00 13.13 H new ATOM 0 HG3 LYS A 11 3.764 -8.128 5.415 1.00 13.13 H new ATOM 0 HD2 LYS A 11 5.975 -9.899 6.569 1.00 51.15 H new ATOM 0 HD3 LYS A 11 5.178 -10.248 5.048 1.00 51.15 H new ATOM 0 HE2 LYS A 11 7.269 -9.129 4.558 1.00 32.10 H new ATOM 0 HE3 LYS A 11 5.961 -8.038 4.146 1.00 32.10 H new ATOM 0 HZ1 LYS A 11 8.079 -7.318 5.564 1.00 54.34 H new ATOM 0 HZ2 LYS A 11 6.565 -6.566 5.717 1.00 54.34 H new ATOM 0 HZ3 LYS A 11 7.041 -7.750 6.837 1.00 54.34 H new ATOM 210 N LEU A 12 1.607 -6.508 6.183 1.00 41.03 N ATOM 211 CA LEU A 12 1.022 -5.745 5.044 1.00 71.20 C ATOM 212 C LEU A 12 0.379 -4.398 5.491 1.00 64.32 C ATOM 213 O LEU A 12 0.579 -3.377 4.824 1.00 54.34 O ATOM 214 CB LEU A 12 0.006 -6.660 4.297 1.00 10.34 C ATOM 215 CG LEU A 12 -0.511 -6.193 2.883 1.00 5.13 C ATOM 216 CD1 LEU A 12 -0.863 -7.411 2.005 1.00 72.41 C ATOM 217 CD2 LEU A 12 -1.732 -5.237 2.976 1.00 24.24 C ATOM 0 H LEU A 12 1.165 -7.416 6.325 1.00 41.03 H new ATOM 0 HA LEU A 12 1.825 -5.465 4.362 1.00 71.20 H new ATOM 0 HB2 LEU A 12 0.466 -7.641 4.177 1.00 10.34 H new ATOM 0 HB3 LEU A 12 -0.862 -6.792 4.943 1.00 10.34 H new ATOM 0 HG LEU A 12 0.304 -5.634 2.423 1.00 5.13 H new ATOM 0 HD11 LEU A 12 -1.218 -7.068 1.033 1.00 72.41 H new ATOM 0 HD12 LEU A 12 0.024 -8.030 1.870 1.00 72.41 H new ATOM 0 HD13 LEU A 12 -1.644 -7.996 2.491 1.00 72.41 H new ATOM 0 HD21 LEU A 12 -2.045 -4.948 1.973 1.00 24.24 H new ATOM 0 HD22 LEU A 12 -2.554 -5.745 3.480 1.00 24.24 H new ATOM 0 HD23 LEU A 12 -1.455 -4.347 3.540 1.00 24.24 H new ATOM 229 N GLU A 13 -0.388 -4.400 6.611 1.00 60.41 N ATOM 230 CA GLU A 13 -0.958 -3.145 7.185 1.00 15.32 C ATOM 231 C GLU A 13 0.149 -2.107 7.514 1.00 33.43 C ATOM 232 O GLU A 13 -0.025 -0.914 7.248 1.00 72.23 O ATOM 233 CB GLU A 13 -1.811 -3.401 8.467 1.00 25.13 C ATOM 234 CG GLU A 13 -3.155 -4.137 8.253 1.00 13.40 C ATOM 235 CD GLU A 13 -3.017 -5.654 8.064 1.00 24.52 C ATOM 236 OE1 GLU A 13 -2.841 -6.365 9.079 1.00 35.34 O ATOM 237 OE2 GLU A 13 -3.084 -6.140 6.920 1.00 34.14 O ATOM 0 H GLU A 13 -0.626 -5.244 7.132 1.00 60.41 H new ATOM 0 HA GLU A 13 -1.612 -2.744 6.411 1.00 15.32 H new ATOM 0 HB2 GLU A 13 -1.211 -3.980 9.169 1.00 25.13 H new ATOM 0 HB3 GLU A 13 -2.017 -2.441 8.940 1.00 25.13 H new ATOM 0 HG2 GLU A 13 -3.802 -3.946 9.109 1.00 13.40 H new ATOM 0 HG3 GLU A 13 -3.652 -3.717 7.379 1.00 13.40 H new ATOM 244 N LYS A 14 1.288 -2.592 8.066 1.00 34.02 N ATOM 245 CA LYS A 14 2.454 -1.732 8.423 1.00 43.32 C ATOM 246 C LYS A 14 3.023 -0.999 7.187 1.00 22.45 C ATOM 247 O LYS A 14 3.426 0.155 7.303 1.00 33.24 O ATOM 248 CB LYS A 14 3.593 -2.543 9.132 1.00 14.41 C ATOM 249 CG LYS A 14 3.349 -2.881 10.628 1.00 43.12 C ATOM 250 CD LYS A 14 2.160 -3.834 10.864 1.00 73.22 C ATOM 251 CE LYS A 14 1.937 -4.167 12.350 1.00 73.20 C ATOM 252 NZ LYS A 14 3.089 -4.873 12.958 1.00 2.43 N ATOM 0 H LYS A 14 1.429 -3.580 8.277 1.00 34.02 H new ATOM 0 HA LYS A 14 2.078 -0.989 9.127 1.00 43.32 H new ATOM 0 HB2 LYS A 14 3.743 -3.475 8.588 1.00 14.41 H new ATOM 0 HB3 LYS A 14 4.520 -1.976 9.053 1.00 14.41 H new ATOM 0 HG2 LYS A 14 4.251 -3.332 11.041 1.00 43.12 H new ATOM 0 HG3 LYS A 14 3.175 -1.955 11.177 1.00 43.12 H new ATOM 0 HD2 LYS A 14 1.254 -3.382 10.460 1.00 73.22 H new ATOM 0 HD3 LYS A 14 2.329 -4.759 10.312 1.00 73.22 H new ATOM 0 HE2 LYS A 14 1.750 -3.245 12.900 1.00 73.20 H new ATOM 0 HE3 LYS A 14 1.044 -4.784 12.450 1.00 73.20 H new ATOM 0 HZ1 LYS A 14 2.847 -5.162 13.927 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 3.318 -5.715 12.392 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 3.912 -4.238 12.982 1.00 2.43 H new ATOM 266 N ILE A 15 3.034 -1.680 6.011 1.00 72.10 N ATOM 267 CA ILE A 15 3.430 -1.060 4.720 1.00 55.01 C ATOM 268 C ILE A 15 2.558 0.182 4.447 1.00 30.31 C ATOM 269 O ILE A 15 3.075 1.276 4.296 1.00 62.32 O ATOM 270 CB ILE A 15 3.288 -2.057 3.502 1.00 74.14 C ATOM 271 CG1 ILE A 15 4.100 -3.364 3.752 1.00 42.40 C ATOM 272 CG2 ILE A 15 3.706 -1.394 2.154 1.00 23.23 C ATOM 273 CD1 ILE A 15 3.929 -4.419 2.675 1.00 73.31 C ATOM 0 H ILE A 15 2.772 -2.663 5.932 1.00 72.10 H new ATOM 0 HA ILE A 15 4.481 -0.784 4.810 1.00 55.01 H new ATOM 0 HB ILE A 15 2.233 -2.318 3.422 1.00 74.14 H new ATOM 0 HG12 ILE A 15 5.157 -3.112 3.833 1.00 42.40 H new ATOM 0 HG13 ILE A 15 3.799 -3.787 4.710 1.00 42.40 H new ATOM 0 HG21 ILE A 15 3.593 -2.114 1.344 1.00 23.23 H new ATOM 0 HG22 ILE A 15 3.071 -0.529 1.962 1.00 23.23 H new ATOM 0 HG23 ILE A 15 4.746 -1.075 2.213 1.00 23.23 H new ATOM 0 HD11 ILE A 15 4.527 -5.295 2.926 1.00 73.31 H new ATOM 0 HD12 ILE A 15 2.879 -4.704 2.608 1.00 73.31 H new ATOM 0 HD13 ILE A 15 4.258 -4.017 1.717 1.00 73.31 H new ATOM 285 N LEU A 16 1.227 -0.026 4.468 1.00 2.04 N ATOM 286 CA LEU A 16 0.208 1.020 4.189 1.00 61.22 C ATOM 287 C LEU A 16 0.325 2.241 5.151 1.00 54.42 C ATOM 288 O LEU A 16 0.144 3.385 4.730 1.00 70.34 O ATOM 289 CB LEU A 16 -1.224 0.389 4.249 1.00 2.14 C ATOM 290 CG LEU A 16 -1.727 -0.386 2.969 1.00 32.42 C ATOM 291 CD1 LEU A 16 -0.723 -1.451 2.470 1.00 53.33 C ATOM 292 CD2 LEU A 16 -3.116 -1.028 3.221 1.00 41.00 C ATOM 0 H LEU A 16 0.818 -0.936 4.682 1.00 2.04 H new ATOM 0 HA LEU A 16 0.391 1.405 3.186 1.00 61.22 H new ATOM 0 HB2 LEU A 16 -1.254 -0.299 5.094 1.00 2.14 H new ATOM 0 HB3 LEU A 16 -1.936 1.187 4.462 1.00 2.14 H new ATOM 0 HG LEU A 16 -1.815 0.358 2.177 1.00 32.42 H new ATOM 0 HD11 LEU A 16 -1.128 -1.948 1.588 1.00 53.33 H new ATOM 0 HD12 LEU A 16 0.221 -0.970 2.214 1.00 53.33 H new ATOM 0 HD13 LEU A 16 -0.553 -2.187 3.256 1.00 53.33 H new ATOM 0 HD21 LEU A 16 -3.441 -1.556 2.324 1.00 41.00 H new ATOM 0 HD22 LEU A 16 -3.047 -1.731 4.051 1.00 41.00 H new ATOM 0 HD23 LEU A 16 -3.838 -0.249 3.465 1.00 41.00 H new ATOM 304 N ASP A 17 0.645 1.977 6.429 1.00 72.04 N ATOM 305 CA ASP A 17 0.877 3.040 7.441 1.00 43.31 C ATOM 306 C ASP A 17 2.233 3.763 7.231 1.00 41.02 C ATOM 307 O ASP A 17 2.385 4.933 7.590 1.00 13.43 O ATOM 308 CB ASP A 17 0.801 2.446 8.862 1.00 14.15 C ATOM 309 CG ASP A 17 -0.593 1.900 9.204 1.00 4.13 C ATOM 310 OD1 ASP A 17 -1.573 2.674 9.153 1.00 14.33 O ATOM 311 OD2 ASP A 17 -0.721 0.708 9.539 1.00 73.13 O ATOM 0 H ASP A 17 0.751 1.031 6.795 1.00 72.04 H new ATOM 0 HA ASP A 17 0.091 3.785 7.318 1.00 43.31 H new ATOM 0 HB2 ASP A 17 1.533 1.644 8.956 1.00 14.15 H new ATOM 0 HB3 ASP A 17 1.074 3.213 9.587 1.00 14.15 H new ATOM 316 N GLU A 18 3.218 3.050 6.671 1.00 53.53 N ATOM 317 CA GLU A 18 4.508 3.658 6.274 1.00 52.42 C ATOM 318 C GLU A 18 4.375 4.439 4.949 1.00 51.11 C ATOM 319 O GLU A 18 5.221 5.276 4.652 1.00 63.51 O ATOM 320 CB GLU A 18 5.622 2.588 6.163 1.00 2.42 C ATOM 321 CG GLU A 18 6.040 1.958 7.510 1.00 13.43 C ATOM 322 CD GLU A 18 7.199 0.958 7.381 1.00 30.33 C ATOM 323 OE1 GLU A 18 6.942 -0.243 7.151 1.00 70.11 O ATOM 324 OE2 GLU A 18 8.376 1.374 7.503 1.00 53.02 O ATOM 0 H GLU A 18 3.153 2.050 6.480 1.00 53.53 H new ATOM 0 HA GLU A 18 4.790 4.363 7.057 1.00 52.42 H new ATOM 0 HB2 GLU A 18 5.283 1.796 5.495 1.00 2.42 H new ATOM 0 HB3 GLU A 18 6.499 3.041 5.700 1.00 2.42 H new ATOM 0 HG2 GLU A 18 6.329 2.751 8.200 1.00 13.43 H new ATOM 0 HG3 GLU A 18 5.180 1.452 7.949 1.00 13.43 H new ATOM 331 N VAL A 19 3.339 4.122 4.137 1.00 22.11 N ATOM 332 CA VAL A 19 3.019 4.882 2.903 1.00 5.13 C ATOM 333 C VAL A 19 2.380 6.253 3.252 1.00 20.43 C ATOM 334 O VAL A 19 2.699 7.267 2.621 1.00 53.25 O ATOM 335 CB VAL A 19 2.075 4.068 1.930 1.00 21.11 C ATOM 336 CG1 VAL A 19 1.738 4.869 0.651 1.00 5.24 C ATOM 337 CG2 VAL A 19 2.687 2.700 1.553 1.00 11.45 C ATOM 0 H VAL A 19 2.707 3.341 4.315 1.00 22.11 H new ATOM 0 HA VAL A 19 3.960 5.052 2.380 1.00 5.13 H new ATOM 0 HB VAL A 19 1.148 3.891 2.475 1.00 21.11 H new ATOM 0 HG11 VAL A 19 1.088 4.274 0.010 1.00 5.24 H new ATOM 0 HG12 VAL A 19 1.230 5.794 0.924 1.00 5.24 H new ATOM 0 HG13 VAL A 19 2.658 5.104 0.116 1.00 5.24 H new ATOM 0 HG21 VAL A 19 2.009 2.170 0.884 1.00 11.45 H new ATOM 0 HG22 VAL A 19 3.643 2.855 1.053 1.00 11.45 H new ATOM 0 HG23 VAL A 19 2.841 2.109 2.456 1.00 11.45 H new ATOM 347 N THR A 20 1.488 6.274 4.274 1.00 11.11 N ATOM 348 CA THR A 20 0.874 7.532 4.789 1.00 61.15 C ATOM 349 C THR A 20 1.963 8.472 5.355 1.00 53.12 C ATOM 350 O THR A 20 1.956 9.678 5.102 1.00 14.31 O ATOM 351 CB THR A 20 -0.188 7.271 5.915 1.00 54.22 C ATOM 352 OG1 THR A 20 0.444 6.751 7.094 1.00 62.34 O ATOM 353 CG2 THR A 20 -1.278 6.287 5.468 1.00 3.12 C ATOM 0 H THR A 20 1.175 5.434 4.761 1.00 11.11 H new ATOM 0 HA THR A 20 0.369 7.994 3.941 1.00 61.15 H new ATOM 0 HB THR A 20 -0.655 8.232 6.130 1.00 54.22 H new ATOM 0 HG1 THR A 20 1.096 6.064 6.840 1.00 62.34 H new ATOM 0 HG21 THR A 20 -1.989 6.138 6.280 1.00 3.12 H new ATOM 0 HG22 THR A 20 -1.798 6.690 4.599 1.00 3.12 H new ATOM 0 HG23 THR A 20 -0.821 5.333 5.206 1.00 3.12 H new ATOM 361 N ASP A 21 2.896 7.882 6.122 1.00 75.32 N ATOM 362 CA ASP A 21 4.079 8.586 6.659 1.00 51.21 C ATOM 363 C ASP A 21 5.096 8.929 5.531 1.00 32.32 C ATOM 364 O ASP A 21 5.754 9.971 5.566 1.00 13.13 O ATOM 365 CB ASP A 21 4.728 7.706 7.760 1.00 14.11 C ATOM 366 CG ASP A 21 5.923 8.376 8.460 1.00 65.24 C ATOM 367 OD1 ASP A 21 5.711 9.336 9.230 1.00 31.34 O ATOM 368 OD2 ASP A 21 7.083 7.963 8.234 1.00 31.11 O ATOM 0 H ASP A 21 2.853 6.899 6.390 1.00 75.32 H new ATOM 0 HA ASP A 21 3.767 9.535 7.095 1.00 51.21 H new ATOM 0 HB2 ASP A 21 3.973 7.457 8.506 1.00 14.11 H new ATOM 0 HB3 ASP A 21 5.058 6.767 7.315 1.00 14.11 H new ATOM 373 N GLY A 22 5.189 8.035 4.524 1.00 62.13 N ATOM 374 CA GLY A 22 6.082 8.215 3.361 1.00 23.44 C ATOM 375 C GLY A 22 5.487 9.094 2.253 1.00 20.12 C ATOM 376 O GLY A 22 6.046 9.181 1.163 1.00 51.42 O ATOM 0 H GLY A 22 4.648 7.171 4.495 1.00 62.13 H new ATOM 0 HA2 GLY A 22 7.019 8.658 3.699 1.00 23.44 H new ATOM 0 HA3 GLY A 22 6.323 7.237 2.945 1.00 23.44 H new ATOM 380 N ALA A 23 4.331 9.717 2.538 1.00 51.54 N ATOM 381 CA ALA A 23 3.702 10.726 1.663 1.00 52.34 C ATOM 382 C ALA A 23 4.441 12.095 1.750 1.00 64.51 C ATOM 383 O ALA A 23 5.061 12.391 2.781 1.00 54.53 O ATOM 384 CB ALA A 23 2.235 10.893 2.068 1.00 5.20 C ATOM 0 H ALA A 23 3.800 9.534 3.390 1.00 51.54 H new ATOM 0 HA ALA A 23 3.767 10.382 0.631 1.00 52.34 H new ATOM 0 HB1 ALA A 23 1.763 11.637 1.426 1.00 5.20 H new ATOM 0 HB2 ALA A 23 1.717 9.940 1.961 1.00 5.20 H new ATOM 0 HB3 ALA A 23 2.179 11.221 3.106 1.00 5.20 H new ATOM 390 N PRO A 24 4.388 12.960 0.677 1.00 20.52 N ATOM 391 CA PRO A 24 5.045 14.298 0.704 1.00 65.33 C ATOM 392 C PRO A 24 4.384 15.283 1.716 1.00 34.12 C ATOM 393 O PRO A 24 5.080 15.905 2.528 1.00 33.10 O ATOM 394 CB PRO A 24 4.907 14.796 -0.760 1.00 13.22 C ATOM 395 CG PRO A 24 3.706 14.074 -1.295 1.00 54.30 C ATOM 396 CD PRO A 24 3.718 12.712 -0.636 1.00 31.03 C ATOM 0 HA PRO A 24 6.079 14.238 1.043 1.00 65.33 H new ATOM 0 HB2 PRO A 24 4.770 15.877 -0.800 1.00 13.22 H new ATOM 0 HB3 PRO A 24 5.799 14.566 -1.342 1.00 13.22 H new ATOM 0 HG2 PRO A 24 2.788 14.614 -1.061 1.00 54.30 H new ATOM 0 HG3 PRO A 24 3.755 13.984 -2.380 1.00 54.30 H new ATOM 0 HD2 PRO A 24 2.709 12.322 -0.503 1.00 31.03 H new ATOM 0 HD3 PRO A 24 4.265 11.983 -1.233 1.00 31.03 H new ATOM 404 N ASP A 25 3.037 15.402 1.655 1.00 71.32 N ATOM 405 CA ASP A 25 2.260 16.313 2.526 1.00 73.43 C ATOM 406 C ASP A 25 0.755 15.918 2.532 1.00 41.55 C ATOM 407 O ASP A 25 0.321 15.128 3.378 1.00 12.14 O ATOM 408 CB ASP A 25 2.476 17.792 2.068 1.00 45.34 C ATOM 409 CG ASP A 25 1.718 18.825 2.922 1.00 32.31 C ATOM 410 OD1 ASP A 25 2.153 19.102 4.053 1.00 54.25 O ATOM 411 OD2 ASP A 25 0.665 19.336 2.471 1.00 34.11 O ATOM 0 H ASP A 25 2.460 14.871 1.003 1.00 71.32 H new ATOM 0 HA ASP A 25 2.616 16.223 3.552 1.00 73.43 H new ATOM 0 HB2 ASP A 25 3.541 18.020 2.100 1.00 45.34 H new ATOM 0 HB3 ASP A 25 2.160 17.891 1.030 1.00 45.34 H new ATOM 416 N GLU A 26 -0.013 16.428 1.543 1.00 64.44 N ATOM 417 CA GLU A 26 -1.489 16.250 1.476 1.00 33.04 C ATOM 418 C GLU A 26 -1.901 14.870 0.905 1.00 24.31 C ATOM 419 O GLU A 26 -3.049 14.443 1.073 1.00 71.14 O ATOM 420 CB GLU A 26 -2.117 17.392 0.636 1.00 12.32 C ATOM 421 CG GLU A 26 -1.577 17.491 -0.808 1.00 60.52 C ATOM 422 CD GLU A 26 -2.248 18.600 -1.639 1.00 72.21 C ATOM 423 OE1 GLU A 26 -3.346 18.357 -2.190 1.00 4.10 O ATOM 424 OE2 GLU A 26 -1.696 19.715 -1.733 1.00 2.12 O ATOM 0 H GLU A 26 0.367 16.973 0.769 1.00 64.44 H new ATOM 0 HA GLU A 26 -1.868 16.291 2.497 1.00 33.04 H new ATOM 0 HB2 GLU A 26 -3.197 17.248 0.598 1.00 12.32 H new ATOM 0 HB3 GLU A 26 -1.939 18.340 1.143 1.00 12.32 H new ATOM 0 HG2 GLU A 26 -0.503 17.673 -0.774 1.00 60.52 H new ATOM 0 HG3 GLU A 26 -1.723 16.534 -1.309 1.00 60.52 H new ATOM 431 N ALA A 27 -0.951 14.177 0.237 1.00 2.31 N ATOM 432 CA ALA A 27 -1.170 12.813 -0.294 1.00 63.04 C ATOM 433 C ALA A 27 -1.442 11.789 0.830 1.00 14.22 C ATOM 434 O ALA A 27 -2.071 10.765 0.573 1.00 25.42 O ATOM 435 CB ALA A 27 0.028 12.375 -1.146 1.00 32.23 C ATOM 0 H ALA A 27 -0.018 14.545 0.052 1.00 2.31 H new ATOM 0 HA ALA A 27 -2.060 12.845 -0.922 1.00 63.04 H new ATOM 0 HB1 ALA A 27 -0.147 11.370 -1.530 1.00 32.23 H new ATOM 0 HB2 ALA A 27 0.153 13.066 -1.980 1.00 32.23 H new ATOM 0 HB3 ALA A 27 0.930 12.378 -0.534 1.00 32.23 H new ATOM 441 N ARG A 28 -0.971 12.093 2.072 1.00 13.22 N ATOM 442 CA ARG A 28 -1.223 11.262 3.284 1.00 53.24 C ATOM 443 C ARG A 28 -2.720 10.927 3.446 1.00 24.25 C ATOM 444 O ARG A 28 -3.076 9.788 3.718 1.00 64.11 O ATOM 445 CB ARG A 28 -0.714 12.006 4.555 1.00 21.11 C ATOM 446 CG ARG A 28 -1.003 11.291 5.902 1.00 54.34 C ATOM 447 CD ARG A 28 -0.553 12.120 7.117 1.00 54.45 C ATOM 448 NE ARG A 28 -0.907 11.488 8.404 1.00 30.44 N ATOM 449 CZ ARG A 28 -1.995 11.744 9.118 1.00 24.23 C ATOM 450 NH1 ARG A 28 -2.929 12.526 8.678 1.00 14.24 N ATOM 451 NH2 ARG A 28 -2.157 11.178 10.263 1.00 21.50 N ATOM 0 H ARG A 28 -0.406 12.921 2.261 1.00 13.22 H new ATOM 0 HA ARG A 28 -0.679 10.325 3.161 1.00 53.24 H new ATOM 0 HB2 ARG A 28 0.362 12.152 4.464 1.00 21.11 H new ATOM 0 HB3 ARG A 28 -1.169 12.996 4.583 1.00 21.11 H new ATOM 0 HG2 ARG A 28 -2.071 11.088 5.980 1.00 54.34 H new ATOM 0 HG3 ARG A 28 -0.494 10.327 5.915 1.00 54.34 H new ATOM 0 HD2 ARG A 28 0.527 12.264 7.073 1.00 54.45 H new ATOM 0 HD3 ARG A 28 -1.009 13.109 7.065 1.00 54.45 H new ATOM 0 HE ARG A 28 -0.258 10.794 8.776 1.00 30.44 H new ATOM 0 HH11 ARG A 28 -2.838 12.963 7.761 1.00 14.24 H new ATOM 0 HH12 ARG A 28 -3.755 12.705 9.249 1.00 14.24 H new ATOM 0 HH21 ARG A 28 -1.450 10.535 10.619 1.00 21.50 H new ATOM 0 HH22 ARG A 28 -2.993 11.373 10.815 1.00 21.50 H new ATOM 465 N GLU A 29 -3.567 11.936 3.216 1.00 34.23 N ATOM 466 CA GLU A 29 -5.032 11.820 3.342 1.00 14.31 C ATOM 467 C GLU A 29 -5.629 10.857 2.282 1.00 34.20 C ATOM 468 O GLU A 29 -6.476 10.023 2.601 1.00 3.34 O ATOM 469 CB GLU A 29 -5.662 13.227 3.210 1.00 62.52 C ATOM 470 CG GLU A 29 -5.080 14.302 4.155 1.00 32.11 C ATOM 471 CD GLU A 29 -5.205 13.949 5.648 1.00 1.51 C ATOM 472 OE1 GLU A 29 -6.328 14.043 6.198 1.00 52.12 O ATOM 473 OE2 GLU A 29 -4.188 13.591 6.282 1.00 13.55 O ATOM 0 H GLU A 29 -3.257 12.866 2.934 1.00 34.23 H new ATOM 0 HA GLU A 29 -5.263 11.399 4.321 1.00 14.31 H new ATOM 0 HB2 GLU A 29 -5.540 13.567 2.181 1.00 62.52 H new ATOM 0 HB3 GLU A 29 -6.733 13.146 3.394 1.00 62.52 H new ATOM 0 HG2 GLU A 29 -4.028 14.454 3.914 1.00 32.11 H new ATOM 0 HG3 GLU A 29 -5.589 15.248 3.971 1.00 32.11 H new ATOM 480 N ARG A 30 -5.170 10.995 1.017 1.00 12.23 N ATOM 481 CA ARG A 30 -5.585 10.113 -0.108 1.00 31.12 C ATOM 482 C ARG A 30 -5.205 8.635 0.164 1.00 24.12 C ATOM 483 O ARG A 30 -5.982 7.711 -0.122 1.00 54.43 O ATOM 484 CB ARG A 30 -4.938 10.605 -1.434 1.00 4.32 C ATOM 485 CG ARG A 30 -5.388 9.837 -2.705 1.00 70.43 C ATOM 486 CD ARG A 30 -4.750 10.393 -3.991 1.00 54.43 C ATOM 487 NE ARG A 30 -5.251 9.713 -5.198 1.00 63.43 N ATOM 488 CZ ARG A 30 -5.363 10.253 -6.398 1.00 32.52 C ATOM 489 NH1 ARG A 30 -5.020 11.476 -6.629 1.00 55.45 N ATOM 490 NH2 ARG A 30 -5.809 9.533 -7.368 1.00 1.32 N ATOM 0 H ARG A 30 -4.504 11.717 0.744 1.00 12.23 H new ATOM 0 HA ARG A 30 -6.670 10.164 -0.199 1.00 31.12 H new ATOM 0 HB2 ARG A 30 -5.171 11.662 -1.564 1.00 4.32 H new ATOM 0 HB3 ARG A 30 -3.855 10.526 -1.344 1.00 4.32 H new ATOM 0 HG2 ARG A 30 -5.126 8.784 -2.600 1.00 70.43 H new ATOM 0 HG3 ARG A 30 -6.473 9.889 -2.791 1.00 70.43 H new ATOM 0 HD2 ARG A 30 -4.957 11.461 -4.065 1.00 54.43 H new ATOM 0 HD3 ARG A 30 -3.667 10.281 -3.936 1.00 54.43 H new ATOM 0 HE ARG A 30 -5.537 8.739 -5.098 1.00 63.43 H new ATOM 0 HH11 ARG A 30 -4.651 12.053 -5.874 1.00 55.45 H new ATOM 0 HH12 ARG A 30 -5.118 11.865 -7.567 1.00 55.45 H new ATOM 0 HH21 ARG A 30 -6.070 8.561 -7.203 1.00 1.32 H new ATOM 0 HH22 ARG A 30 -5.902 9.935 -8.301 1.00 1.32 H new ATOM 504 N ILE A 31 -4.010 8.443 0.739 1.00 0.42 N ATOM 505 CA ILE A 31 -3.505 7.118 1.135 1.00 0.13 C ATOM 506 C ILE A 31 -4.319 6.542 2.322 1.00 24.04 C ATOM 507 O ILE A 31 -4.695 5.388 2.288 1.00 53.43 O ATOM 508 CB ILE A 31 -1.978 7.186 1.497 1.00 54.23 C ATOM 509 CG1 ILE A 31 -1.162 7.756 0.288 1.00 4.54 C ATOM 510 CG2 ILE A 31 -1.443 5.791 1.924 1.00 40.21 C ATOM 511 CD1 ILE A 31 0.259 8.177 0.600 1.00 42.12 C ATOM 0 H ILE A 31 -3.363 9.204 0.944 1.00 0.42 H new ATOM 0 HA ILE A 31 -3.627 6.449 0.284 1.00 0.13 H new ATOM 0 HB ILE A 31 -1.854 7.859 2.345 1.00 54.23 H new ATOM 0 HG12 ILE A 31 -1.134 7.001 -0.497 1.00 4.54 H new ATOM 0 HG13 ILE A 31 -1.697 8.616 -0.115 1.00 4.54 H new ATOM 0 HG21 ILE A 31 -0.384 5.867 2.169 1.00 40.21 H new ATOM 0 HG22 ILE A 31 -1.993 5.442 2.798 1.00 40.21 H new ATOM 0 HG23 ILE A 31 -1.576 5.084 1.105 1.00 40.21 H new ATOM 0 HD11 ILE A 31 0.733 8.556 -0.305 1.00 42.12 H new ATOM 0 HD12 ILE A 31 0.248 8.959 1.359 1.00 42.12 H new ATOM 0 HD13 ILE A 31 0.820 7.319 0.971 1.00 42.12 H new ATOM 523 N GLU A 32 -4.613 7.374 3.349 1.00 2.34 N ATOM 524 CA GLU A 32 -5.435 6.956 4.525 1.00 65.33 C ATOM 525 C GLU A 32 -6.885 6.622 4.118 1.00 45.21 C ATOM 526 O GLU A 32 -7.565 5.861 4.807 1.00 51.23 O ATOM 527 CB GLU A 32 -5.443 8.051 5.625 1.00 11.01 C ATOM 528 CG GLU A 32 -4.093 8.254 6.332 1.00 74.21 C ATOM 529 CD GLU A 32 -4.136 9.361 7.387 1.00 42.03 C ATOM 530 OE1 GLU A 32 -4.315 10.532 7.005 1.00 51.42 O ATOM 531 OE2 GLU A 32 -4.037 9.064 8.600 1.00 30.23 O ATOM 0 H GLU A 32 -4.295 8.342 3.393 1.00 2.34 H new ATOM 0 HA GLU A 32 -4.972 6.055 4.926 1.00 65.33 H new ATOM 0 HB2 GLU A 32 -5.750 8.996 5.177 1.00 11.01 H new ATOM 0 HB3 GLU A 32 -6.194 7.793 6.371 1.00 11.01 H new ATOM 0 HG2 GLU A 32 -3.792 7.319 6.805 1.00 74.21 H new ATOM 0 HG3 GLU A 32 -3.332 8.495 5.590 1.00 74.21 H new ATOM 538 N LYS A 33 -7.348 7.217 3.006 1.00 21.31 N ATOM 539 CA LYS A 33 -8.670 6.920 2.435 1.00 34.24 C ATOM 540 C LYS A 33 -8.679 5.511 1.794 1.00 40.03 C ATOM 541 O LYS A 33 -9.445 4.642 2.212 1.00 3.42 O ATOM 542 CB LYS A 33 -9.042 8.004 1.388 1.00 74.41 C ATOM 543 CG LYS A 33 -10.446 7.845 0.758 1.00 75.21 C ATOM 544 CD LYS A 33 -10.762 8.950 -0.286 1.00 12.14 C ATOM 545 CE LYS A 33 -10.754 10.372 0.311 1.00 54.31 C ATOM 546 NZ LYS A 33 -11.798 10.558 1.355 1.00 13.01 N ATOM 0 H LYS A 33 -6.819 7.913 2.481 1.00 21.31 H new ATOM 0 HA LYS A 33 -9.414 6.931 3.232 1.00 34.24 H new ATOM 0 HB2 LYS A 33 -8.981 8.983 1.863 1.00 74.41 H new ATOM 0 HB3 LYS A 33 -8.298 7.990 0.591 1.00 74.41 H new ATOM 0 HG2 LYS A 33 -10.517 6.868 0.280 1.00 75.21 H new ATOM 0 HG3 LYS A 33 -11.198 7.869 1.546 1.00 75.21 H new ATOM 0 HD2 LYS A 33 -10.031 8.898 -1.093 1.00 12.14 H new ATOM 0 HD3 LYS A 33 -11.739 8.754 -0.728 1.00 12.14 H new ATOM 0 HE2 LYS A 33 -9.774 10.576 0.742 1.00 54.31 H new ATOM 0 HE3 LYS A 33 -10.909 11.098 -0.487 1.00 54.31 H new ATOM 0 HZ1 LYS A 33 -11.784 11.543 1.688 1.00 13.01 H new ATOM 0 HZ2 LYS A 33 -12.733 10.341 0.954 1.00 13.01 H new ATOM 0 HZ3 LYS A 33 -11.608 9.920 2.154 1.00 13.01 H new ATOM 560 N LEU A 34 -7.760 5.283 0.835 1.00 40.14 N ATOM 561 CA LEU A 34 -7.706 4.019 0.059 1.00 51.22 C ATOM 562 C LEU A 34 -7.237 2.828 0.926 1.00 34.15 C ATOM 563 O LEU A 34 -7.835 1.755 0.878 1.00 41.12 O ATOM 564 CB LEU A 34 -6.789 4.180 -1.183 1.00 74.25 C ATOM 565 CG LEU A 34 -6.724 2.939 -2.137 1.00 12.02 C ATOM 566 CD1 LEU A 34 -8.123 2.553 -2.663 1.00 62.43 C ATOM 567 CD2 LEU A 34 -5.747 3.180 -3.304 1.00 0.22 C ATOM 0 H LEU A 34 -7.041 5.958 0.575 1.00 40.14 H new ATOM 0 HA LEU A 34 -8.720 3.800 -0.276 1.00 51.22 H new ATOM 0 HB2 LEU A 34 -7.132 5.041 -1.757 1.00 74.25 H new ATOM 0 HB3 LEU A 34 -5.779 4.407 -0.841 1.00 74.25 H new ATOM 0 HG LEU A 34 -6.348 2.101 -1.550 1.00 12.02 H new ATOM 0 HD11 LEU A 34 -8.038 1.688 -3.321 1.00 62.43 H new ATOM 0 HD12 LEU A 34 -8.773 2.307 -1.823 1.00 62.43 H new ATOM 0 HD13 LEU A 34 -8.547 3.390 -3.217 1.00 62.43 H new ATOM 0 HD21 LEU A 34 -5.725 2.300 -3.947 1.00 0.22 H new ATOM 0 HD22 LEU A 34 -6.076 4.044 -3.881 1.00 0.22 H new ATOM 0 HD23 LEU A 34 -4.748 3.366 -2.910 1.00 0.22 H new ATOM 579 N ALA A 35 -6.168 3.043 1.715 1.00 14.11 N ATOM 580 CA ALA A 35 -5.622 2.037 2.661 1.00 1.31 C ATOM 581 C ALA A 35 -6.673 1.574 3.692 1.00 41.32 C ATOM 582 O ALA A 35 -6.662 0.418 4.089 1.00 30.03 O ATOM 583 CB ALA A 35 -4.374 2.577 3.383 1.00 33.44 C ATOM 0 H ALA A 35 -5.652 3.923 1.718 1.00 14.11 H new ATOM 0 HA ALA A 35 -5.338 1.169 2.065 1.00 1.31 H new ATOM 0 HB1 ALA A 35 -3.995 1.820 4.070 1.00 33.44 H new ATOM 0 HB2 ALA A 35 -3.605 2.819 2.649 1.00 33.44 H new ATOM 0 HB3 ALA A 35 -4.637 3.475 3.942 1.00 33.44 H new ATOM 589 N LYS A 36 -7.577 2.490 4.108 1.00 31.34 N ATOM 590 CA LYS A 36 -8.729 2.149 4.989 1.00 44.11 C ATOM 591 C LYS A 36 -9.659 1.142 4.274 1.00 31.41 C ATOM 592 O LYS A 36 -10.034 0.126 4.855 1.00 71.45 O ATOM 593 CB LYS A 36 -9.492 3.451 5.383 1.00 52.24 C ATOM 594 CG LYS A 36 -10.585 3.335 6.495 1.00 1.21 C ATOM 595 CD LYS A 36 -11.946 2.778 6.008 1.00 21.42 C ATOM 596 CE LYS A 36 -12.978 2.619 7.143 1.00 60.34 C ATOM 597 NZ LYS A 36 -14.244 2.003 6.658 1.00 72.13 N ATOM 0 H LYS A 36 -7.535 3.476 3.849 1.00 31.34 H new ATOM 0 HA LYS A 36 -8.367 1.679 5.903 1.00 44.11 H new ATOM 0 HB2 LYS A 36 -8.757 4.187 5.709 1.00 52.24 H new ATOM 0 HB3 LYS A 36 -9.965 3.849 4.485 1.00 52.24 H new ATOM 0 HG2 LYS A 36 -10.208 2.692 7.290 1.00 1.21 H new ATOM 0 HG3 LYS A 36 -10.746 4.321 6.931 1.00 1.21 H new ATOM 0 HD2 LYS A 36 -12.352 3.444 5.247 1.00 21.42 H new ATOM 0 HD3 LYS A 36 -11.786 1.810 5.533 1.00 21.42 H new ATOM 0 HE2 LYS A 36 -12.554 2.002 7.936 1.00 60.34 H new ATOM 0 HE3 LYS A 36 -13.192 3.595 7.579 1.00 60.34 H new ATOM 0 HZ1 LYS A 36 -14.709 1.503 7.442 1.00 72.13 H new ATOM 0 HZ2 LYS A 36 -14.876 2.746 6.298 1.00 72.13 H new ATOM 0 HZ3 LYS A 36 -14.032 1.329 5.895 1.00 72.13 H new ATOM 611 N ASP A 37 -10.001 1.447 3.004 1.00 73.34 N ATOM 612 CA ASP A 37 -10.858 0.575 2.161 1.00 52.23 C ATOM 613 C ASP A 37 -10.213 -0.809 1.926 1.00 72.35 C ATOM 614 O ASP A 37 -10.905 -1.830 1.915 1.00 62.04 O ATOM 615 CB ASP A 37 -11.165 1.261 0.807 1.00 63.24 C ATOM 616 CG ASP A 37 -11.891 2.606 0.975 1.00 44.54 C ATOM 617 OD1 ASP A 37 -12.929 2.646 1.676 1.00 53.22 O ATOM 618 OD2 ASP A 37 -11.429 3.625 0.424 1.00 20.31 O ATOM 0 H ASP A 37 -9.695 2.298 2.533 1.00 73.34 H new ATOM 0 HA ASP A 37 -11.793 0.417 2.699 1.00 52.23 H new ATOM 0 HB2 ASP A 37 -10.233 1.421 0.266 1.00 63.24 H new ATOM 0 HB3 ASP A 37 -11.777 0.596 0.198 1.00 63.24 H new ATOM 623 N VAL A 38 -8.877 -0.823 1.747 1.00 73.33 N ATOM 624 CA VAL A 38 -8.096 -2.073 1.628 1.00 1.34 C ATOM 625 C VAL A 38 -8.174 -2.871 2.949 1.00 55.42 C ATOM 626 O VAL A 38 -8.387 -4.069 2.922 1.00 51.14 O ATOM 627 CB VAL A 38 -6.579 -1.812 1.240 1.00 64.23 C ATOM 628 CG1 VAL A 38 -5.761 -3.132 1.157 1.00 63.20 C ATOM 629 CG2 VAL A 38 -6.461 -1.017 -0.085 1.00 0.12 C ATOM 0 H VAL A 38 -8.312 0.024 1.681 1.00 73.33 H new ATOM 0 HA VAL A 38 -8.538 -2.652 0.817 1.00 1.34 H new ATOM 0 HB VAL A 38 -6.152 -1.208 2.041 1.00 64.23 H new ATOM 0 HG11 VAL A 38 -4.729 -2.904 0.889 1.00 63.20 H new ATOM 0 HG12 VAL A 38 -5.782 -3.635 2.124 1.00 63.20 H new ATOM 0 HG13 VAL A 38 -6.197 -3.784 0.400 1.00 63.20 H new ATOM 0 HG21 VAL A 38 -5.409 -0.856 -0.320 1.00 0.12 H new ATOM 0 HG22 VAL A 38 -6.931 -1.581 -0.891 1.00 0.12 H new ATOM 0 HG23 VAL A 38 -6.960 -0.054 0.023 1.00 0.12 H new ATOM 639 N LYS A 39 -8.046 -2.168 4.099 1.00 42.25 N ATOM 640 CA LYS A 39 -8.098 -2.782 5.455 1.00 1.02 C ATOM 641 C LYS A 39 -9.500 -3.335 5.810 1.00 11.15 C ATOM 642 O LYS A 39 -9.616 -4.276 6.613 1.00 62.52 O ATOM 643 CB LYS A 39 -7.574 -1.790 6.531 1.00 3.52 C ATOM 644 CG LYS A 39 -6.046 -1.523 6.438 1.00 42.02 C ATOM 645 CD LYS A 39 -5.516 -0.542 7.511 1.00 72.22 C ATOM 646 CE LYS A 39 -3.999 -0.293 7.369 1.00 3.14 C ATOM 647 NZ LYS A 39 -3.464 0.554 8.464 1.00 71.02 N ATOM 0 H LYS A 39 -7.904 -1.158 4.117 1.00 42.25 H new ATOM 0 HA LYS A 39 -7.433 -3.646 5.441 1.00 1.02 H new ATOM 0 HB2 LYS A 39 -8.107 -0.844 6.431 1.00 3.52 H new ATOM 0 HB3 LYS A 39 -7.806 -2.184 7.520 1.00 3.52 H new ATOM 0 HG2 LYS A 39 -5.515 -2.470 6.531 1.00 42.02 H new ATOM 0 HG3 LYS A 39 -5.816 -1.125 5.450 1.00 42.02 H new ATOM 0 HD2 LYS A 39 -6.048 0.406 7.430 1.00 72.22 H new ATOM 0 HD3 LYS A 39 -5.726 -0.942 8.503 1.00 72.22 H new ATOM 0 HE2 LYS A 39 -3.475 -1.249 7.362 1.00 3.14 H new ATOM 0 HE3 LYS A 39 -3.800 0.187 6.411 1.00 3.14 H new ATOM 0 HZ1 LYS A 39 -2.536 0.192 8.761 1.00 71.02 H new ATOM 0 HZ2 LYS A 39 -3.362 1.533 8.128 1.00 71.02 H new ATOM 0 HZ3 LYS A 39 -4.119 0.532 9.272 1.00 71.02 H new ATOM 661 N ASP A 40 -10.562 -2.743 5.228 1.00 11.34 N ATOM 662 CA ASP A 40 -11.927 -3.315 5.297 1.00 74.54 C ATOM 663 C ASP A 40 -11.968 -4.671 4.555 1.00 54.45 C ATOM 664 O ASP A 40 -12.451 -5.671 5.076 1.00 44.30 O ATOM 665 CB ASP A 40 -12.974 -2.349 4.679 1.00 31.24 C ATOM 666 CG ASP A 40 -13.021 -0.958 5.331 1.00 43.12 C ATOM 667 OD1 ASP A 40 -12.693 -0.816 6.533 1.00 33.15 O ATOM 668 OD2 ASP A 40 -13.421 0.005 4.648 1.00 72.42 O ATOM 0 H ASP A 40 -10.504 -1.869 4.705 1.00 11.34 H new ATOM 0 HA ASP A 40 -12.178 -3.464 6.347 1.00 74.54 H new ATOM 0 HB2 ASP A 40 -12.759 -2.231 3.617 1.00 31.24 H new ATOM 0 HB3 ASP A 40 -13.961 -2.806 4.756 1.00 31.24 H new ATOM 673 N GLU A 41 -11.418 -4.669 3.334 1.00 53.21 N ATOM 674 CA GLU A 41 -11.336 -5.856 2.458 1.00 53.41 C ATOM 675 C GLU A 41 -10.377 -6.942 3.011 1.00 2.54 C ATOM 676 O GLU A 41 -10.552 -8.122 2.726 1.00 71.04 O ATOM 677 CB GLU A 41 -10.917 -5.400 1.038 1.00 13.13 C ATOM 678 CG GLU A 41 -11.925 -4.441 0.369 1.00 1.52 C ATOM 679 CD GLU A 41 -13.240 -5.121 -0.060 1.00 22.21 C ATOM 680 OE1 GLU A 41 -14.150 -5.290 0.781 1.00 21.20 O ATOM 681 OE2 GLU A 41 -13.363 -5.493 -1.245 1.00 33.31 O ATOM 0 H GLU A 41 -11.010 -3.833 2.916 1.00 53.21 H new ATOM 0 HA GLU A 41 -12.319 -6.325 2.419 1.00 53.41 H new ATOM 0 HB2 GLU A 41 -9.946 -4.909 1.096 1.00 13.13 H new ATOM 0 HB3 GLU A 41 -10.792 -6.279 0.406 1.00 13.13 H new ATOM 0 HG2 GLU A 41 -12.155 -3.630 1.060 1.00 1.52 H new ATOM 0 HG3 GLU A 41 -11.457 -3.990 -0.506 1.00 1.52 H new ATOM 688 N LEU A 42 -9.368 -6.530 3.798 1.00 74.12 N ATOM 689 CA LEU A 42 -8.455 -7.470 4.505 1.00 35.13 C ATOM 690 C LEU A 42 -9.227 -8.311 5.560 1.00 73.20 C ATOM 691 O LEU A 42 -8.805 -9.415 5.924 1.00 34.44 O ATOM 692 CB LEU A 42 -7.276 -6.685 5.157 1.00 22.21 C ATOM 693 CG LEU A 42 -6.257 -6.032 4.152 1.00 11.11 C ATOM 694 CD1 LEU A 42 -5.298 -5.046 4.843 1.00 45.02 C ATOM 695 CD2 LEU A 42 -5.454 -7.094 3.377 1.00 13.33 C ATOM 0 H LEU A 42 -9.156 -5.547 3.967 1.00 74.12 H new ATOM 0 HA LEU A 42 -8.040 -8.166 3.776 1.00 35.13 H new ATOM 0 HB2 LEU A 42 -7.691 -5.899 5.788 1.00 22.21 H new ATOM 0 HB3 LEU A 42 -6.729 -7.364 5.812 1.00 22.21 H new ATOM 0 HG LEU A 42 -6.861 -5.468 3.441 1.00 11.11 H new ATOM 0 HD11 LEU A 42 -4.616 -4.624 4.105 1.00 45.02 H new ATOM 0 HD12 LEU A 42 -5.873 -4.244 5.307 1.00 45.02 H new ATOM 0 HD13 LEU A 42 -4.725 -5.571 5.608 1.00 45.02 H new ATOM 0 HD21 LEU A 42 -4.762 -6.601 2.694 1.00 13.33 H new ATOM 0 HD22 LEU A 42 -4.893 -7.710 4.080 1.00 13.33 H new ATOM 0 HD23 LEU A 42 -6.138 -7.724 2.808 1.00 13.33 H new ATOM 707 N GLU A 43 -10.367 -7.759 6.036 1.00 62.31 N ATOM 708 CA GLU A 43 -11.286 -8.436 6.980 1.00 11.25 C ATOM 709 C GLU A 43 -12.456 -9.117 6.204 1.00 62.43 C ATOM 710 O GLU A 43 -12.451 -10.338 6.005 1.00 72.44 O ATOM 711 CB GLU A 43 -11.786 -7.388 8.035 1.00 23.01 C ATOM 712 CG GLU A 43 -12.624 -7.931 9.234 1.00 44.32 C ATOM 713 CD GLU A 43 -14.116 -8.195 8.924 1.00 23.53 C ATOM 714 OE1 GLU A 43 -14.870 -7.217 8.730 1.00 51.13 O ATOM 715 OE2 GLU A 43 -14.537 -9.372 8.883 1.00 23.51 O ATOM 0 H GLU A 43 -10.677 -6.823 5.773 1.00 62.31 H new ATOM 0 HA GLU A 43 -10.768 -9.232 7.514 1.00 11.25 H new ATOM 0 HB2 GLU A 43 -10.915 -6.871 8.438 1.00 23.01 H new ATOM 0 HB3 GLU A 43 -12.386 -6.642 7.513 1.00 23.01 H new ATOM 0 HG2 GLU A 43 -12.171 -8.859 9.583 1.00 44.32 H new ATOM 0 HG3 GLU A 43 -12.560 -7.217 10.055 1.00 44.32 H new ATOM 756 N ALA A 47 -9.589 -8.762 -0.759 1.00 14.32 N ATOM 757 CA ALA A 47 -8.388 -7.935 -0.465 1.00 3.42 C ATOM 758 C ALA A 47 -7.316 -7.918 -1.581 1.00 21.10 C ATOM 759 O ALA A 47 -6.813 -6.852 -1.906 1.00 21.32 O ATOM 760 CB ALA A 47 -7.744 -8.318 0.879 1.00 52.40 C ATOM 0 HA ALA A 47 -8.777 -6.918 -0.407 1.00 3.42 H new ATOM 0 HB1 ALA A 47 -6.870 -7.691 1.056 1.00 52.40 H new ATOM 0 HB2 ALA A 47 -8.465 -8.171 1.683 1.00 52.40 H new ATOM 0 HB3 ALA A 47 -7.440 -9.364 0.852 1.00 52.40 H new ATOM 766 N LYS A 48 -6.979 -9.091 -2.156 1.00 51.24 N ATOM 767 CA LYS A 48 -5.797 -9.275 -3.050 1.00 33.32 C ATOM 768 C LYS A 48 -5.753 -8.230 -4.203 1.00 74.10 C ATOM 769 O LYS A 48 -4.722 -7.592 -4.427 1.00 42.41 O ATOM 770 CB LYS A 48 -5.785 -10.741 -3.602 1.00 45.53 C ATOM 771 CG LYS A 48 -4.413 -11.283 -4.101 1.00 62.55 C ATOM 772 CD LYS A 48 -3.976 -10.764 -5.492 1.00 2.11 C ATOM 773 CE LYS A 48 -2.569 -11.254 -5.886 1.00 41.30 C ATOM 774 NZ LYS A 48 -2.213 -10.899 -7.287 1.00 53.13 N ATOM 0 H LYS A 48 -7.516 -9.947 -2.018 1.00 51.24 H new ATOM 0 HA LYS A 48 -4.896 -9.106 -2.460 1.00 33.32 H new ATOM 0 HB2 LYS A 48 -6.149 -11.404 -2.817 1.00 45.53 H new ATOM 0 HB3 LYS A 48 -6.496 -10.801 -4.426 1.00 45.53 H new ATOM 0 HG2 LYS A 48 -3.647 -11.017 -3.373 1.00 62.55 H new ATOM 0 HG3 LYS A 48 -4.458 -12.372 -4.133 1.00 62.55 H new ATOM 0 HD2 LYS A 48 -4.696 -11.093 -6.242 1.00 2.11 H new ATOM 0 HD3 LYS A 48 -3.991 -9.674 -5.492 1.00 2.11 H new ATOM 0 HE2 LYS A 48 -1.834 -10.822 -5.207 1.00 41.30 H new ATOM 0 HE3 LYS A 48 -2.517 -12.336 -5.765 1.00 41.30 H new ATOM 0 HZ1 LYS A 48 -1.377 -11.443 -7.581 1.00 53.13 H new ATOM 0 HZ2 LYS A 48 -3.011 -11.124 -7.915 1.00 53.13 H new ATOM 0 HZ3 LYS A 48 -2.003 -9.882 -7.345 1.00 53.13 H new ATOM 788 N ASN A 49 -6.894 -8.046 -4.900 1.00 22.55 N ATOM 789 CA ASN A 49 -6.996 -7.086 -6.026 1.00 15.25 C ATOM 790 C ASN A 49 -6.947 -5.608 -5.542 1.00 11.23 C ATOM 791 O ASN A 49 -6.447 -4.742 -6.254 1.00 14.05 O ATOM 792 CB ASN A 49 -8.281 -7.365 -6.848 1.00 43.32 C ATOM 793 CG ASN A 49 -8.298 -6.629 -8.194 1.00 51.23 C ATOM 794 OD1 ASN A 49 -8.845 -5.540 -8.324 1.00 34.44 O ATOM 795 ND2 ASN A 49 -7.659 -7.205 -9.198 1.00 22.44 N ATOM 0 H ASN A 49 -7.760 -8.549 -4.705 1.00 22.55 H new ATOM 0 HA ASN A 49 -6.128 -7.232 -6.669 1.00 15.25 H new ATOM 0 HB2 ASN A 49 -8.368 -8.437 -7.024 1.00 43.32 H new ATOM 0 HB3 ASN A 49 -9.152 -7.066 -6.265 1.00 43.32 H new ATOM 0 HD21 ASN A 49 -7.613 -6.742 -10.106 1.00 22.44 H new ATOM 0 HD22 ASN A 49 -7.212 -8.112 -9.065 1.00 22.44 H new ATOM 802 N MET A 50 -7.457 -5.350 -4.318 1.00 32.05 N ATOM 803 CA MET A 50 -7.380 -4.019 -3.651 1.00 22.12 C ATOM 804 C MET A 50 -5.921 -3.621 -3.315 1.00 32.42 C ATOM 805 O MET A 50 -5.582 -2.440 -3.326 1.00 25.22 O ATOM 806 CB MET A 50 -8.233 -4.028 -2.354 1.00 13.31 C ATOM 807 CG MET A 50 -9.750 -4.022 -2.590 1.00 2.25 C ATOM 808 SD MET A 50 -10.359 -2.414 -3.153 1.00 5.35 S ATOM 809 CE MET A 50 -9.862 -1.342 -1.795 1.00 42.05 C ATOM 0 H MET A 50 -7.936 -6.056 -3.759 1.00 32.05 H new ATOM 0 HA MET A 50 -7.773 -3.279 -4.348 1.00 22.12 H new ATOM 0 HB2 MET A 50 -7.973 -4.910 -1.769 1.00 13.31 H new ATOM 0 HB3 MET A 50 -7.968 -3.158 -1.754 1.00 13.31 H new ATOM 0 HG2 MET A 50 -10.002 -4.781 -3.330 1.00 2.25 H new ATOM 0 HG3 MET A 50 -10.259 -4.296 -1.666 1.00 2.25 H new ATOM 0 HE1 MET A 50 -10.557 -0.506 -1.719 1.00 42.05 H new ATOM 0 HE2 MET A 50 -9.871 -1.907 -0.863 1.00 42.05 H new ATOM 0 HE3 MET A 50 -8.857 -0.963 -1.980 1.00 42.05 H new ATOM 819 N ILE A 51 -5.085 -4.625 -3.004 1.00 15.53 N ATOM 820 CA ILE A 51 -3.642 -4.426 -2.714 1.00 34.35 C ATOM 821 C ILE A 51 -2.875 -4.090 -4.026 1.00 22.01 C ATOM 822 O ILE A 51 -1.980 -3.237 -4.040 1.00 11.34 O ATOM 823 CB ILE A 51 -3.034 -5.710 -2.026 1.00 45.52 C ATOM 824 CG1 ILE A 51 -3.904 -6.149 -0.797 1.00 13.21 C ATOM 825 CG2 ILE A 51 -1.564 -5.486 -1.584 1.00 31.24 C ATOM 826 CD1 ILE A 51 -3.621 -7.555 -0.295 1.00 35.25 C ATOM 0 H ILE A 51 -5.383 -5.599 -2.945 1.00 15.53 H new ATOM 0 HA ILE A 51 -3.535 -3.589 -2.025 1.00 34.35 H new ATOM 0 HB ILE A 51 -3.043 -6.507 -2.770 1.00 45.52 H new ATOM 0 HG12 ILE A 51 -3.739 -5.445 0.019 1.00 13.21 H new ATOM 0 HG13 ILE A 51 -4.957 -6.079 -1.070 1.00 13.21 H new ATOM 0 HG21 ILE A 51 -1.183 -6.393 -1.115 1.00 31.24 H new ATOM 0 HG22 ILE A 51 -0.955 -5.244 -2.455 1.00 31.24 H new ATOM 0 HG23 ILE A 51 -1.520 -4.663 -0.871 1.00 31.24 H new ATOM 0 HD11 ILE A 51 -4.267 -7.775 0.555 1.00 35.25 H new ATOM 0 HD12 ILE A 51 -3.815 -8.272 -1.093 1.00 35.25 H new ATOM 0 HD13 ILE A 51 -2.578 -7.628 0.013 1.00 35.25 H new ATOM 838 N GLU A 52 -3.274 -4.756 -5.130 1.00 10.41 N ATOM 839 CA GLU A 52 -2.758 -4.463 -6.492 1.00 11.41 C ATOM 840 C GLU A 52 -3.185 -3.048 -6.962 1.00 4.03 C ATOM 841 O GLU A 52 -2.413 -2.336 -7.607 1.00 2.21 O ATOM 842 CB GLU A 52 -3.285 -5.507 -7.510 1.00 15.24 C ATOM 843 CG GLU A 52 -2.996 -6.982 -7.159 1.00 20.12 C ATOM 844 CD GLU A 52 -3.513 -7.976 -8.218 1.00 71.11 C ATOM 845 OE1 GLU A 52 -4.744 -8.164 -8.320 1.00 52.10 O ATOM 846 OE2 GLU A 52 -2.692 -8.597 -8.927 1.00 21.41 O ATOM 0 H GLU A 52 -3.960 -5.510 -5.107 1.00 10.41 H new ATOM 0 HA GLU A 52 -1.670 -4.510 -6.444 1.00 11.41 H new ATOM 0 HB2 GLU A 52 -4.363 -5.380 -7.609 1.00 15.24 H new ATOM 0 HB3 GLU A 52 -2.847 -5.291 -8.485 1.00 15.24 H new ATOM 0 HG2 GLU A 52 -1.921 -7.116 -7.040 1.00 20.12 H new ATOM 0 HG3 GLU A 52 -3.454 -7.216 -6.198 1.00 20.12 H new ATOM 853 N LYS A 53 -4.435 -2.675 -6.632 1.00 54.25 N ATOM 854 CA LYS A 53 -5.002 -1.342 -6.950 1.00 32.25 C ATOM 855 C LYS A 53 -4.404 -0.245 -6.059 1.00 30.34 C ATOM 856 O LYS A 53 -4.363 0.931 -6.445 1.00 24.11 O ATOM 857 CB LYS A 53 -6.550 -1.362 -6.820 1.00 43.21 C ATOM 858 CG LYS A 53 -7.283 -2.062 -7.983 1.00 2.25 C ATOM 859 CD LYS A 53 -7.041 -1.344 -9.331 1.00 32.53 C ATOM 860 CE LYS A 53 -7.667 0.062 -9.397 1.00 31.30 C ATOM 861 NZ LYS A 53 -7.344 0.745 -10.679 1.00 62.43 N ATOM 0 H LYS A 53 -5.085 -3.286 -6.137 1.00 54.25 H new ATOM 0 HA LYS A 53 -4.738 -1.111 -7.982 1.00 32.25 H new ATOM 0 HB2 LYS A 53 -6.817 -1.860 -5.888 1.00 43.21 H new ATOM 0 HB3 LYS A 53 -6.909 -0.335 -6.747 1.00 43.21 H new ATOM 0 HG2 LYS A 53 -6.945 -3.096 -8.056 1.00 2.25 H new ATOM 0 HG3 LYS A 53 -8.352 -2.091 -7.774 1.00 2.25 H new ATOM 0 HD2 LYS A 53 -5.968 -1.264 -9.504 1.00 32.53 H new ATOM 0 HD3 LYS A 53 -7.449 -1.954 -10.137 1.00 32.53 H new ATOM 0 HE2 LYS A 53 -8.749 -0.015 -9.287 1.00 31.30 H new ATOM 0 HE3 LYS A 53 -7.304 0.662 -8.563 1.00 31.30 H new ATOM 0 HZ1 LYS A 53 -7.973 1.564 -10.804 1.00 62.43 H new ATOM 0 HZ2 LYS A 53 -6.355 1.067 -10.661 1.00 62.43 H new ATOM 0 HZ3 LYS A 53 -7.478 0.082 -11.469 1.00 62.43 H new ATOM 875 N PHE A 54 -3.958 -0.641 -4.864 1.00 64.25 N ATOM 876 CA PHE A 54 -3.238 0.258 -3.960 1.00 64.43 C ATOM 877 C PHE A 54 -1.828 0.569 -4.527 1.00 72.53 C ATOM 878 O PHE A 54 -1.355 1.700 -4.439 1.00 24.23 O ATOM 879 CB PHE A 54 -3.161 -0.344 -2.528 1.00 33.44 C ATOM 880 CG PHE A 54 -2.508 0.597 -1.521 1.00 73.12 C ATOM 881 CD1 PHE A 54 -3.229 1.653 -0.968 1.00 23.43 C ATOM 882 CD2 PHE A 54 -1.161 0.470 -1.188 1.00 4.53 C ATOM 883 CE1 PHE A 54 -2.631 2.539 -0.102 1.00 25.14 C ATOM 884 CE2 PHE A 54 -0.559 1.362 -0.338 1.00 62.11 C ATOM 885 CZ PHE A 54 -1.288 2.400 0.205 1.00 52.53 C ATOM 0 H PHE A 54 -4.084 -1.585 -4.499 1.00 64.25 H new ATOM 0 HA PHE A 54 -3.786 1.198 -3.887 1.00 64.43 H new ATOM 0 HB2 PHE A 54 -4.167 -0.589 -2.188 1.00 33.44 H new ATOM 0 HB3 PHE A 54 -2.599 -1.278 -2.562 1.00 33.44 H new ATOM 0 HD1 PHE A 54 -4.271 1.778 -1.223 1.00 23.43 H new ATOM 0 HD2 PHE A 54 -0.583 -0.342 -1.605 1.00 4.53 H new ATOM 0 HE1 PHE A 54 -3.207 3.340 0.337 1.00 25.14 H new ATOM 0 HE2 PHE A 54 0.487 1.252 -0.093 1.00 62.11 H new ATOM 0 HZ PHE A 54 -0.811 3.105 0.870 1.00 52.53 H new ATOM 895 N ARG A 55 -1.183 -0.464 -5.108 1.00 32.01 N ATOM 896 CA ARG A 55 0.094 -0.325 -5.853 1.00 44.01 C ATOM 897 C ARG A 55 -0.085 0.556 -7.117 1.00 73.23 C ATOM 898 O ARG A 55 0.771 1.379 -7.431 1.00 64.30 O ATOM 899 CB ARG A 55 0.617 -1.733 -6.258 1.00 2.11 C ATOM 900 CG ARG A 55 1.843 -1.743 -7.208 1.00 44.04 C ATOM 901 CD ARG A 55 2.277 -3.166 -7.609 1.00 22.21 C ATOM 902 NE ARG A 55 3.181 -3.170 -8.778 1.00 0.34 N ATOM 903 CZ ARG A 55 4.469 -3.421 -8.764 1.00 51.44 C ATOM 904 NH1 ARG A 55 5.148 -3.448 -7.665 1.00 53.54 N ATOM 905 NH2 ARG A 55 5.094 -3.590 -9.881 1.00 75.24 N ATOM 0 H ARG A 55 -1.531 -1.422 -5.076 1.00 32.01 H new ATOM 0 HA ARG A 55 0.819 0.164 -5.202 1.00 44.01 H new ATOM 0 HB2 ARG A 55 0.878 -2.279 -5.351 1.00 2.11 H new ATOM 0 HB3 ARG A 55 -0.196 -2.279 -6.737 1.00 2.11 H new ATOM 0 HG2 ARG A 55 1.605 -1.174 -8.107 1.00 44.04 H new ATOM 0 HG3 ARG A 55 2.677 -1.237 -6.722 1.00 44.04 H new ATOM 0 HD2 ARG A 55 2.776 -3.642 -6.765 1.00 22.21 H new ATOM 0 HD3 ARG A 55 1.393 -3.763 -7.834 1.00 22.21 H new ATOM 0 HE ARG A 55 2.763 -2.957 -9.684 1.00 0.34 H new ATOM 0 HH11 ARG A 55 4.684 -3.271 -6.774 1.00 53.54 H new ATOM 0 HH12 ARG A 55 6.148 -3.646 -7.688 1.00 53.54 H new ATOM 0 HH21 ARG A 55 4.587 -3.528 -10.764 1.00 75.24 H new ATOM 0 HH22 ARG A 55 6.095 -3.786 -9.881 1.00 75.24 H new ATOM 919 N ASP A 56 -1.215 0.355 -7.817 1.00 30.44 N ATOM 920 CA ASP A 56 -1.590 1.120 -9.032 1.00 64.52 C ATOM 921 C ASP A 56 -1.726 2.635 -8.721 1.00 14.04 C ATOM 922 O ASP A 56 -1.326 3.491 -9.520 1.00 44.10 O ATOM 923 CB ASP A 56 -2.911 0.528 -9.601 1.00 74.13 C ATOM 924 CG ASP A 56 -3.446 1.242 -10.856 1.00 24.41 C ATOM 925 OD1 ASP A 56 -2.725 1.291 -11.875 1.00 62.34 O ATOM 926 OD2 ASP A 56 -4.595 1.738 -10.830 1.00 61.24 O ATOM 0 H ASP A 56 -1.905 -0.350 -7.557 1.00 30.44 H new ATOM 0 HA ASP A 56 -0.804 1.029 -9.782 1.00 64.52 H new ATOM 0 HB2 ASP A 56 -2.750 -0.524 -9.838 1.00 74.13 H new ATOM 0 HB3 ASP A 56 -3.675 0.566 -8.824 1.00 74.13 H new ATOM 931 N GLU A 57 -2.276 2.935 -7.533 1.00 34.02 N ATOM 932 CA GLU A 57 -2.387 4.313 -7.008 1.00 21.13 C ATOM 933 C GLU A 57 -1.002 4.860 -6.570 1.00 54.54 C ATOM 934 O GLU A 57 -0.629 5.985 -6.915 1.00 32.34 O ATOM 935 CB GLU A 57 -3.381 4.326 -5.813 1.00 31.45 C ATOM 936 CG GLU A 57 -3.646 5.709 -5.180 1.00 63.24 C ATOM 937 CD GLU A 57 -4.319 6.709 -6.137 1.00 22.41 C ATOM 938 OE1 GLU A 57 -3.607 7.435 -6.870 1.00 64.12 O ATOM 939 OE2 GLU A 57 -5.572 6.771 -6.168 1.00 43.42 O ATOM 0 H GLU A 57 -2.659 2.229 -6.905 1.00 34.02 H new ATOM 0 HA GLU A 57 -2.760 4.963 -7.800 1.00 21.13 H new ATOM 0 HB2 GLU A 57 -4.332 3.913 -6.150 1.00 31.45 H new ATOM 0 HB3 GLU A 57 -3.000 3.659 -5.039 1.00 31.45 H new ATOM 0 HG2 GLU A 57 -4.277 5.581 -4.300 1.00 63.24 H new ATOM 0 HG3 GLU A 57 -2.701 6.129 -4.836 1.00 63.24 H new ATOM 946 N MET A 58 -0.250 4.039 -5.802 1.00 11.55 N ATOM 947 CA MET A 58 1.114 4.379 -5.333 1.00 71.05 C ATOM 948 C MET A 58 2.106 4.636 -6.487 1.00 65.01 C ATOM 949 O MET A 58 3.049 5.387 -6.313 1.00 52.20 O ATOM 950 CB MET A 58 1.688 3.285 -4.387 1.00 42.41 C ATOM 951 CG MET A 58 1.163 3.318 -2.949 1.00 30.15 C ATOM 952 SD MET A 58 2.333 2.549 -1.813 1.00 20.13 S ATOM 953 CE MET A 58 3.748 3.650 -1.980 1.00 60.45 C ATOM 0 H MET A 58 -0.571 3.123 -5.490 1.00 11.55 H new ATOM 0 HA MET A 58 1.003 5.311 -4.778 1.00 71.05 H new ATOM 0 HB2 MET A 58 1.467 2.307 -4.814 1.00 42.41 H new ATOM 0 HB3 MET A 58 2.773 3.384 -4.362 1.00 42.41 H new ATOM 0 HG2 MET A 58 0.984 4.350 -2.648 1.00 30.15 H new ATOM 0 HG3 MET A 58 0.206 2.800 -2.896 1.00 30.15 H new ATOM 0 HE1 MET A 58 4.647 3.062 -2.165 1.00 60.45 H new ATOM 0 HE2 MET A 58 3.582 4.332 -2.814 1.00 60.45 H new ATOM 0 HE3 MET A 58 3.873 4.224 -1.062 1.00 60.45 H new ATOM 963 N GLU A 59 1.892 3.988 -7.637 1.00 25.24 N ATOM 964 CA GLU A 59 2.724 4.187 -8.846 1.00 30.02 C ATOM 965 C GLU A 59 2.595 5.640 -9.368 1.00 52.12 C ATOM 966 O GLU A 59 3.586 6.282 -9.747 1.00 61.45 O ATOM 967 CB GLU A 59 2.309 3.142 -9.921 1.00 51.11 C ATOM 968 CG GLU A 59 3.093 3.191 -11.268 1.00 10.25 C ATOM 969 CD GLU A 59 2.243 3.683 -12.465 1.00 50.04 C ATOM 970 OE1 GLU A 59 1.949 4.894 -12.538 1.00 35.44 O ATOM 971 OE2 GLU A 59 1.875 2.859 -13.334 1.00 4.03 O ATOM 0 H GLU A 59 1.140 3.310 -7.764 1.00 25.24 H new ATOM 0 HA GLU A 59 3.775 4.035 -8.602 1.00 30.02 H new ATOM 0 HB2 GLU A 59 2.425 2.146 -9.493 1.00 51.11 H new ATOM 0 HB3 GLU A 59 1.249 3.275 -10.137 1.00 51.11 H new ATOM 0 HG2 GLU A 59 3.956 3.847 -11.152 1.00 10.25 H new ATOM 0 HG3 GLU A 59 3.477 2.196 -11.491 1.00 10.25 H new ATOM 978 N GLN A 60 1.351 6.145 -9.350 1.00 13.04 N ATOM 979 CA GLN A 60 1.027 7.543 -9.696 1.00 74.11 C ATOM 980 C GLN A 60 1.579 8.547 -8.638 1.00 62.54 C ATOM 981 O GLN A 60 2.244 9.527 -8.997 1.00 53.14 O ATOM 982 CB GLN A 60 -0.517 7.687 -9.851 1.00 2.23 C ATOM 983 CG GLN A 60 -1.025 9.123 -10.082 1.00 44.45 C ATOM 984 CD GLN A 60 -2.543 9.206 -10.287 1.00 40.40 C ATOM 985 OE1 GLN A 60 -3.036 9.160 -11.413 1.00 63.52 O ATOM 986 NE2 GLN A 60 -3.296 9.289 -9.205 1.00 1.14 N ATOM 0 H GLN A 60 0.533 5.592 -9.093 1.00 13.04 H new ATOM 0 HA GLN A 60 1.512 7.788 -10.641 1.00 74.11 H new ATOM 0 HB2 GLN A 60 -0.841 7.066 -10.686 1.00 2.23 H new ATOM 0 HB3 GLN A 60 -0.994 7.290 -8.955 1.00 2.23 H new ATOM 0 HG2 GLN A 60 -0.747 9.741 -9.228 1.00 44.45 H new ATOM 0 HG3 GLN A 60 -0.524 9.542 -10.955 1.00 44.45 H new ATOM 0 HE21 GLN A 60 -2.862 9.326 -8.283 1.00 1.14 H new ATOM 0 HE22 GLN A 60 -4.312 9.316 -9.292 1.00 1.14 H new ATOM 995 N MET A 61 1.326 8.272 -7.340 1.00 64.04 N ATOM 996 CA MET A 61 1.676 9.202 -6.228 1.00 22.45 C ATOM 997 C MET A 61 3.205 9.260 -5.960 1.00 74.43 C ATOM 998 O MET A 61 3.726 10.285 -5.505 1.00 0.12 O ATOM 999 CB MET A 61 0.926 8.793 -4.935 1.00 70.15 C ATOM 1000 CG MET A 61 -0.610 8.819 -5.045 1.00 24.52 C ATOM 1001 SD MET A 61 -1.429 8.393 -3.489 1.00 53.41 S ATOM 1002 CE MET A 61 -0.769 6.758 -3.158 1.00 3.32 C ATOM 0 H MET A 61 0.878 7.410 -7.029 1.00 64.04 H new ATOM 0 HA MET A 61 1.364 10.200 -6.535 1.00 22.45 H new ATOM 0 HB2 MET A 61 1.239 7.788 -4.652 1.00 70.15 H new ATOM 0 HB3 MET A 61 1.230 9.460 -4.129 1.00 70.15 H new ATOM 0 HG2 MET A 61 -0.931 9.812 -5.360 1.00 24.52 H new ATOM 0 HG3 MET A 61 -0.926 8.121 -5.820 1.00 24.52 H new ATOM 0 HE1 MET A 61 -1.432 6.230 -2.473 1.00 3.32 H new ATOM 0 HE2 MET A 61 -0.693 6.201 -4.092 1.00 3.32 H new ATOM 0 HE3 MET A 61 0.220 6.849 -2.708 1.00 3.32 H new ATOM 1012 N TYR A 62 3.904 8.140 -6.226 1.00 31.51 N ATOM 1013 CA TYR A 62 5.377 8.053 -6.117 1.00 4.55 C ATOM 1014 C TYR A 62 6.067 8.866 -7.237 1.00 52.12 C ATOM 1015 O TYR A 62 6.960 9.652 -6.967 1.00 20.02 O ATOM 1016 CB TYR A 62 5.843 6.566 -6.157 1.00 22.13 C ATOM 1017 CG TYR A 62 7.339 6.378 -6.443 1.00 11.00 C ATOM 1018 CD1 TYR A 62 8.304 6.761 -5.509 1.00 33.32 C ATOM 1019 CD2 TYR A 62 7.788 5.879 -7.675 1.00 74.35 C ATOM 1020 CE1 TYR A 62 9.647 6.656 -5.793 1.00 25.41 C ATOM 1021 CE2 TYR A 62 9.132 5.764 -7.950 1.00 62.02 C ATOM 1022 CZ TYR A 62 10.056 6.160 -7.011 1.00 65.40 C ATOM 1023 OH TYR A 62 11.396 6.078 -7.297 1.00 40.23 O ATOM 0 H TYR A 62 3.465 7.268 -6.523 1.00 31.51 H new ATOM 0 HA TYR A 62 5.668 8.483 -5.159 1.00 4.55 H new ATOM 0 HB2 TYR A 62 5.607 6.098 -5.201 1.00 22.13 H new ATOM 0 HB3 TYR A 62 5.271 6.039 -6.920 1.00 22.13 H new ATOM 0 HD1 TYR A 62 7.992 7.145 -4.549 1.00 33.32 H new ATOM 0 HD2 TYR A 62 7.066 5.580 -8.421 1.00 74.35 H new ATOM 0 HE1 TYR A 62 10.380 6.962 -5.061 1.00 25.41 H new ATOM 0 HE2 TYR A 62 9.459 5.365 -8.899 1.00 62.02 H new ATOM 0 HH TYR A 62 11.752 5.230 -6.957 1.00 40.23 H new ATOM 1033 N LYS A 63 5.659 8.646 -8.499 1.00 53.25 N ATOM 1034 CA LYS A 63 6.221 9.408 -9.650 1.00 43.05 C ATOM 1035 C LYS A 63 5.688 10.865 -9.700 1.00 61.30 C ATOM 1036 O LYS A 63 6.118 11.666 -10.536 1.00 43.02 O ATOM 1037 CB LYS A 63 5.978 8.653 -10.981 1.00 12.35 C ATOM 1038 CG LYS A 63 6.740 7.310 -11.091 1.00 24.14 C ATOM 1039 CD LYS A 63 6.603 6.619 -12.479 1.00 1.11 C ATOM 1040 CE LYS A 63 5.242 5.926 -12.713 1.00 34.11 C ATOM 1041 NZ LYS A 63 4.074 6.855 -12.682 1.00 43.41 N ATOM 0 H LYS A 63 4.951 7.958 -8.756 1.00 53.25 H new ATOM 0 HA LYS A 63 7.299 9.482 -9.504 1.00 43.05 H new ATOM 0 HB2 LYS A 63 4.910 8.463 -11.089 1.00 12.35 H new ATOM 0 HB3 LYS A 63 6.273 9.296 -11.810 1.00 12.35 H new ATOM 0 HG2 LYS A 63 7.796 7.485 -10.886 1.00 24.14 H new ATOM 0 HG3 LYS A 63 6.374 6.632 -10.321 1.00 24.14 H new ATOM 0 HD2 LYS A 63 6.757 7.364 -13.259 1.00 1.11 H new ATOM 0 HD3 LYS A 63 7.397 5.879 -12.583 1.00 1.11 H new ATOM 0 HE2 LYS A 63 5.265 5.420 -13.678 1.00 34.11 H new ATOM 0 HE3 LYS A 63 5.102 5.157 -11.953 1.00 34.11 H new ATOM 0 HZ1 LYS A 63 3.312 6.475 -13.279 1.00 43.41 H new ATOM 0 HZ2 LYS A 63 3.732 6.951 -11.704 1.00 43.41 H new ATOM 0 HZ3 LYS A 63 4.363 7.788 -13.041 1.00 43.41 H new ATOM 1055 N ASP A 64 4.735 11.183 -8.810 1.00 4.52 N ATOM 1056 CA ASP A 64 4.359 12.572 -8.490 1.00 35.14 C ATOM 1057 C ASP A 64 5.411 13.204 -7.533 1.00 70.21 C ATOM 1058 O ASP A 64 5.935 14.292 -7.800 1.00 42.13 O ATOM 1059 CB ASP A 64 2.940 12.588 -7.860 1.00 41.42 C ATOM 1060 CG ASP A 64 2.481 13.972 -7.368 1.00 73.41 C ATOM 1061 OD1 ASP A 64 2.235 14.857 -8.212 1.00 43.21 O ATOM 1062 OD2 ASP A 64 2.354 14.176 -6.139 1.00 34.44 O ATOM 0 H ASP A 64 4.202 10.485 -8.291 1.00 4.52 H new ATOM 0 HA ASP A 64 4.340 13.169 -9.402 1.00 35.14 H new ATOM 0 HB2 ASP A 64 2.224 12.221 -8.596 1.00 41.42 H new ATOM 0 HB3 ASP A 64 2.920 11.892 -7.021 1.00 41.42 H new ATOM 1067 N ALA A 65 5.727 12.491 -6.435 1.00 30.44 N ATOM 1068 CA ALA A 65 6.690 12.956 -5.405 1.00 2.33 C ATOM 1069 C ALA A 65 7.517 11.765 -4.825 1.00 22.04 C ATOM 1070 O ALA A 65 7.066 11.096 -3.886 1.00 33.44 O ATOM 1071 CB ALA A 65 5.939 13.710 -4.294 1.00 40.01 C ATOM 0 H ALA A 65 5.325 11.576 -6.232 1.00 30.44 H new ATOM 0 HA ALA A 65 7.399 13.640 -5.872 1.00 2.33 H new ATOM 0 HB1 ALA A 65 6.649 14.049 -3.540 1.00 40.01 H new ATOM 0 HB2 ALA A 65 5.425 14.571 -4.722 1.00 40.01 H new ATOM 0 HB3 ALA A 65 5.210 13.045 -3.832 1.00 40.01 H new ATOM 1077 N PRO A 66 8.713 11.432 -5.435 1.00 12.44 N ATOM 1078 CA PRO A 66 9.609 10.344 -4.940 1.00 53.45 C ATOM 1079 C PRO A 66 10.245 10.656 -3.551 1.00 35.15 C ATOM 1080 O PRO A 66 11.168 11.476 -3.440 1.00 63.02 O ATOM 1081 CB PRO A 66 10.690 10.225 -6.065 1.00 70.43 C ATOM 1082 CG PRO A 66 10.080 10.909 -7.255 1.00 60.43 C ATOM 1083 CD PRO A 66 9.246 12.033 -6.685 1.00 71.20 C ATOM 0 HA PRO A 66 9.065 9.415 -4.766 1.00 53.45 H new ATOM 0 HB2 PRO A 66 11.624 10.703 -5.769 1.00 70.43 H new ATOM 0 HB3 PRO A 66 10.921 9.182 -6.283 1.00 70.43 H new ATOM 0 HG2 PRO A 66 10.849 11.291 -7.926 1.00 60.43 H new ATOM 0 HG3 PRO A 66 9.467 10.219 -7.834 1.00 60.43 H new ATOM 0 HD2 PRO A 66 9.844 12.922 -6.485 1.00 71.20 H new ATOM 0 HD3 PRO A 66 8.448 12.332 -7.365 1.00 71.20 H new ATOM 1091 N ASN A 67 9.731 9.988 -2.498 1.00 74.41 N ATOM 1092 CA ASN A 67 10.136 10.234 -1.083 1.00 4.33 C ATOM 1093 C ASN A 67 11.053 9.095 -0.533 1.00 54.15 C ATOM 1094 O ASN A 67 10.864 8.621 0.594 1.00 15.43 O ATOM 1095 CB ASN A 67 8.846 10.383 -0.235 1.00 25.12 C ATOM 1096 CG ASN A 67 7.930 11.511 -0.730 1.00 50.35 C ATOM 1097 OD1 ASN A 67 8.381 12.586 -1.102 1.00 11.03 O ATOM 1098 ND2 ASN A 67 6.648 11.256 -0.792 1.00 63.13 N ATOM 0 H ASN A 67 9.023 9.261 -2.596 1.00 74.41 H new ATOM 0 HA ASN A 67 10.727 11.148 -1.026 1.00 4.33 H new ATOM 0 HB2 ASN A 67 8.296 9.442 -0.252 1.00 25.12 H new ATOM 0 HB3 ASN A 67 9.120 10.574 0.803 1.00 25.12 H new ATOM 0 HD21 ASN A 67 6.005 11.960 -1.155 1.00 63.13 H new ATOM 0 HD22 ASN A 67 6.292 10.354 -0.477 1.00 63.13 H new ATOM 1105 N ALA A 68 12.047 8.679 -1.357 1.00 44.12 N ATOM 1106 CA ALA A 68 13.092 7.661 -1.011 1.00 21.41 C ATOM 1107 C ALA A 68 12.509 6.277 -0.606 1.00 44.13 C ATOM 1108 O ALA A 68 12.442 5.354 -1.427 1.00 73.42 O ATOM 1109 CB ALA A 68 14.065 8.203 0.065 1.00 31.52 C ATOM 0 H ALA A 68 12.154 9.045 -2.303 1.00 44.12 H new ATOM 0 HA ALA A 68 13.654 7.485 -1.928 1.00 21.41 H new ATOM 0 HB1 ALA A 68 14.812 7.443 0.296 1.00 31.52 H new ATOM 0 HB2 ALA A 68 14.562 9.098 -0.311 1.00 31.52 H new ATOM 0 HB3 ALA A 68 13.507 8.450 0.968 1.00 31.52 H new ATOM 1115 N VAL A 69 12.070 6.162 0.667 1.00 2.21 N ATOM 1116 CA VAL A 69 11.486 4.924 1.241 1.00 44.31 C ATOM 1117 C VAL A 69 10.162 4.542 0.522 1.00 64.34 C ATOM 1118 O VAL A 69 9.813 3.362 0.427 1.00 61.11 O ATOM 1119 CB VAL A 69 11.232 5.095 2.794 1.00 43.53 C ATOM 1120 CG1 VAL A 69 10.715 3.787 3.451 1.00 41.52 C ATOM 1121 CG2 VAL A 69 12.509 5.606 3.513 1.00 33.40 C ATOM 0 H VAL A 69 12.111 6.933 1.334 1.00 2.21 H new ATOM 0 HA VAL A 69 12.203 4.117 1.088 1.00 44.31 H new ATOM 0 HB VAL A 69 10.448 5.844 2.908 1.00 43.53 H new ATOM 0 HG11 VAL A 69 10.555 3.953 4.516 1.00 41.52 H new ATOM 0 HG12 VAL A 69 9.775 3.493 2.985 1.00 41.52 H new ATOM 0 HG13 VAL A 69 11.451 2.995 3.314 1.00 41.52 H new ATOM 0 HG21 VAL A 69 12.308 5.715 4.579 1.00 33.40 H new ATOM 0 HG22 VAL A 69 13.319 4.891 3.368 1.00 33.40 H new ATOM 0 HG23 VAL A 69 12.799 6.571 3.098 1.00 33.40 H new ATOM 1131 N MET A 70 9.464 5.567 -0.016 1.00 33.53 N ATOM 1132 CA MET A 70 8.198 5.394 -0.769 1.00 54.24 C ATOM 1133 C MET A 70 8.374 4.442 -1.987 1.00 42.20 C ATOM 1134 O MET A 70 7.460 3.689 -2.315 1.00 40.53 O ATOM 1135 CB MET A 70 7.652 6.785 -1.208 1.00 10.41 C ATOM 1136 CG MET A 70 6.187 6.791 -1.685 1.00 4.23 C ATOM 1137 SD MET A 70 5.577 8.457 -2.048 1.00 3.20 S ATOM 1138 CE MET A 70 3.812 8.175 -2.266 1.00 1.01 C ATOM 0 H MET A 70 9.762 6.540 0.059 1.00 33.53 H new ATOM 0 HA MET A 70 7.469 4.923 -0.110 1.00 54.24 H new ATOM 0 HB2 MET A 70 7.748 7.476 -0.371 1.00 10.41 H new ATOM 0 HB3 MET A 70 8.281 7.168 -2.012 1.00 10.41 H new ATOM 0 HG2 MET A 70 6.098 6.173 -2.578 1.00 4.23 H new ATOM 0 HG3 MET A 70 5.558 6.337 -0.919 1.00 4.23 H new ATOM 0 HE1 MET A 70 3.318 9.120 -2.494 1.00 1.01 H new ATOM 0 HE2 MET A 70 3.654 7.475 -3.087 1.00 1.01 H new ATOM 0 HE3 MET A 70 3.394 7.759 -1.349 1.00 1.01 H new ATOM 1148 N GLU A 71 9.575 4.457 -2.611 1.00 63.41 N ATOM 1149 CA GLU A 71 9.929 3.527 -3.722 1.00 71.14 C ATOM 1150 C GLU A 71 9.954 2.059 -3.247 1.00 54.12 C ATOM 1151 O GLU A 71 9.404 1.168 -3.905 1.00 62.45 O ATOM 1152 CB GLU A 71 11.320 3.894 -4.302 1.00 74.44 C ATOM 1153 CG GLU A 71 11.788 2.991 -5.470 1.00 43.04 C ATOM 1154 CD GLU A 71 13.240 3.260 -5.896 1.00 35.10 C ATOM 1155 OE1 GLU A 71 14.160 2.630 -5.335 1.00 73.23 O ATOM 1156 OE2 GLU A 71 13.467 4.118 -6.778 1.00 30.44 O ATOM 0 H GLU A 71 10.323 5.105 -2.366 1.00 63.41 H new ATOM 0 HA GLU A 71 9.164 3.630 -4.491 1.00 71.14 H new ATOM 0 HB2 GLU A 71 11.295 4.928 -4.647 1.00 74.44 H new ATOM 0 HB3 GLU A 71 12.058 3.843 -3.502 1.00 74.44 H new ATOM 0 HG2 GLU A 71 11.690 1.946 -5.175 1.00 43.04 H new ATOM 0 HG3 GLU A 71 11.130 3.144 -6.326 1.00 43.04 H new ATOM 1163 N GLN A 72 10.624 1.831 -2.103 1.00 71.41 N ATOM 1164 CA GLN A 72 10.701 0.503 -1.460 1.00 75.35 C ATOM 1165 C GLN A 72 9.309 -0.049 -1.143 1.00 54.40 C ATOM 1166 O GLN A 72 9.066 -1.231 -1.303 1.00 1.11 O ATOM 1167 CB GLN A 72 11.564 0.567 -0.170 1.00 30.34 C ATOM 1168 CG GLN A 72 13.062 0.816 -0.418 1.00 12.31 C ATOM 1169 CD GLN A 72 13.716 -0.280 -1.268 1.00 74.33 C ATOM 1170 OE1 GLN A 72 14.199 -1.282 -0.748 1.00 35.14 O ATOM 1171 NE2 GLN A 72 13.742 -0.098 -2.577 1.00 5.02 N ATOM 0 H GLN A 72 11.127 2.560 -1.597 1.00 71.41 H new ATOM 0 HA GLN A 72 11.177 -0.177 -2.167 1.00 75.35 H new ATOM 0 HB2 GLN A 72 11.178 1.359 0.472 1.00 30.34 H new ATOM 0 HB3 GLN A 72 11.449 -0.370 0.376 1.00 30.34 H new ATOM 0 HG2 GLN A 72 13.188 1.778 -0.915 1.00 12.31 H new ATOM 0 HG3 GLN A 72 13.578 0.882 0.540 1.00 12.31 H new ATOM 0 HE21 GLN A 72 13.333 0.744 -2.983 1.00 5.02 H new ATOM 0 HE22 GLN A 72 14.171 -0.799 -3.181 1.00 5.02 H new ATOM 1180 N LEU A 73 8.402 0.844 -0.732 1.00 44.45 N ATOM 1181 CA LEU A 73 6.996 0.500 -0.435 1.00 0.01 C ATOM 1182 C LEU A 73 6.227 0.008 -1.694 1.00 50.24 C ATOM 1183 O LEU A 73 5.380 -0.873 -1.574 1.00 1.23 O ATOM 1184 CB LEU A 73 6.308 1.713 0.235 1.00 73.05 C ATOM 1185 CG LEU A 73 6.941 2.153 1.601 1.00 72.41 C ATOM 1186 CD1 LEU A 73 6.410 3.522 2.068 1.00 74.15 C ATOM 1187 CD2 LEU A 73 6.742 1.070 2.694 1.00 21.01 C ATOM 0 H LEU A 73 8.618 1.831 -0.594 1.00 44.45 H new ATOM 0 HA LEU A 73 6.981 -0.341 0.258 1.00 0.01 H new ATOM 0 HB2 LEU A 73 6.340 2.557 -0.453 1.00 73.05 H new ATOM 0 HB3 LEU A 73 5.257 1.473 0.397 1.00 73.05 H new ATOM 0 HG LEU A 73 8.012 2.263 1.434 1.00 72.41 H new ATOM 0 HD11 LEU A 73 6.875 3.788 3.018 1.00 74.15 H new ATOM 0 HD12 LEU A 73 6.650 4.279 1.322 1.00 74.15 H new ATOM 0 HD13 LEU A 73 5.329 3.469 2.195 1.00 74.15 H new ATOM 0 HD21 LEU A 73 7.193 1.408 3.627 1.00 21.01 H new ATOM 0 HD22 LEU A 73 5.676 0.899 2.847 1.00 21.01 H new ATOM 0 HD23 LEU A 73 7.217 0.142 2.377 1.00 21.01 H new ATOM 1199 N LEU A 74 6.552 0.556 -2.903 1.00 12.11 N ATOM 1200 CA LEU A 74 6.038 0.006 -4.199 1.00 61.30 C ATOM 1201 C LEU A 74 6.475 -1.472 -4.386 1.00 60.53 C ATOM 1202 O LEU A 74 5.688 -2.324 -4.834 1.00 51.33 O ATOM 1203 CB LEU A 74 6.514 0.838 -5.445 1.00 22.42 C ATOM 1204 CG LEU A 74 5.638 2.070 -5.849 1.00 23.00 C ATOM 1205 CD1 LEU A 74 5.765 3.211 -4.838 1.00 4.43 C ATOM 1206 CD2 LEU A 74 5.963 2.561 -7.283 1.00 24.44 C ATOM 0 H LEU A 74 7.160 1.368 -3.008 1.00 12.11 H new ATOM 0 HA LEU A 74 4.951 0.071 -4.142 1.00 61.30 H new ATOM 0 HB2 LEU A 74 7.527 1.191 -5.251 1.00 22.42 H new ATOM 0 HB3 LEU A 74 6.569 0.166 -6.301 1.00 22.42 H new ATOM 0 HG LEU A 74 4.601 1.735 -5.842 1.00 23.00 H new ATOM 0 HD11 LEU A 74 5.142 4.048 -5.154 1.00 4.43 H new ATOM 0 HD12 LEU A 74 5.439 2.866 -3.857 1.00 4.43 H new ATOM 0 HD13 LEU A 74 6.805 3.534 -4.782 1.00 4.43 H new ATOM 0 HD21 LEU A 74 5.334 3.417 -7.526 1.00 24.44 H new ATOM 0 HD22 LEU A 74 7.011 2.854 -7.338 1.00 24.44 H new ATOM 0 HD23 LEU A 74 5.772 1.758 -7.995 1.00 24.44 H new ATOM 1218 N GLU A 75 7.754 -1.742 -4.057 1.00 32.53 N ATOM 1219 CA GLU A 75 8.359 -3.085 -4.195 1.00 12.02 C ATOM 1220 C GLU A 75 7.776 -4.078 -3.160 1.00 65.21 C ATOM 1221 O GLU A 75 7.488 -5.222 -3.500 1.00 30.12 O ATOM 1222 CB GLU A 75 9.904 -2.995 -4.042 1.00 21.12 C ATOM 1223 CG GLU A 75 10.657 -4.300 -4.383 1.00 70.42 C ATOM 1224 CD GLU A 75 12.166 -4.228 -4.090 1.00 5.11 C ATOM 1225 OE1 GLU A 75 12.894 -3.549 -4.844 1.00 50.01 O ATOM 1226 OE2 GLU A 75 12.634 -4.859 -3.112 1.00 23.31 O ATOM 0 H GLU A 75 8.396 -1.039 -3.689 1.00 32.53 H new ATOM 0 HA GLU A 75 8.118 -3.460 -5.190 1.00 12.02 H new ATOM 0 HB2 GLU A 75 10.275 -2.197 -4.686 1.00 21.12 H new ATOM 0 HB3 GLU A 75 10.139 -2.712 -3.016 1.00 21.12 H new ATOM 0 HG2 GLU A 75 10.222 -5.121 -3.813 1.00 70.42 H new ATOM 0 HG3 GLU A 75 10.510 -4.531 -5.438 1.00 70.42 H new ATOM 1233 N GLU A 76 7.583 -3.606 -1.909 1.00 41.52 N ATOM 1234 CA GLU A 76 7.083 -4.437 -0.788 1.00 30.00 C ATOM 1235 C GLU A 76 5.666 -4.967 -1.062 1.00 33.23 C ATOM 1236 O GLU A 76 5.375 -6.120 -0.765 1.00 2.43 O ATOM 1237 CB GLU A 76 7.123 -3.660 0.561 1.00 22.43 C ATOM 1238 CG GLU A 76 8.535 -3.244 1.035 1.00 10.10 C ATOM 1239 CD GLU A 76 9.553 -4.405 1.063 1.00 65.44 C ATOM 1240 OE1 GLU A 76 9.446 -5.285 1.943 1.00 65.13 O ATOM 1241 OE2 GLU A 76 10.460 -4.443 0.202 1.00 45.44 O ATOM 0 H GLU A 76 7.769 -2.638 -1.646 1.00 41.52 H new ATOM 0 HA GLU A 76 7.752 -5.293 -0.706 1.00 30.00 H new ATOM 0 HB2 GLU A 76 6.510 -2.764 0.465 1.00 22.43 H new ATOM 0 HB3 GLU A 76 6.665 -4.278 1.333 1.00 22.43 H new ATOM 0 HG2 GLU A 76 8.911 -2.459 0.379 1.00 10.10 H new ATOM 0 HG3 GLU A 76 8.460 -2.815 2.034 1.00 10.10 H new ATOM 1248 N ILE A 77 4.806 -4.120 -1.660 1.00 55.35 N ATOM 1249 CA ILE A 77 3.452 -4.536 -2.111 1.00 64.14 C ATOM 1250 C ILE A 77 3.537 -5.740 -3.095 1.00 20.00 C ATOM 1251 O ILE A 77 2.787 -6.700 -2.962 1.00 24.24 O ATOM 1252 CB ILE A 77 2.676 -3.344 -2.794 1.00 22.13 C ATOM 1253 CG1 ILE A 77 2.508 -2.142 -1.806 1.00 62.00 C ATOM 1254 CG2 ILE A 77 1.295 -3.806 -3.336 1.00 35.23 C ATOM 1255 CD1 ILE A 77 1.970 -0.871 -2.446 1.00 53.13 C ATOM 0 H ILE A 77 5.020 -3.140 -1.845 1.00 55.35 H new ATOM 0 HA ILE A 77 2.899 -4.842 -1.223 1.00 64.14 H new ATOM 0 HB ILE A 77 3.273 -3.007 -3.641 1.00 22.13 H new ATOM 0 HG12 ILE A 77 1.837 -2.441 -1.001 1.00 62.00 H new ATOM 0 HG13 ILE A 77 3.474 -1.924 -1.351 1.00 62.00 H new ATOM 0 HG21 ILE A 77 0.785 -2.962 -3.800 1.00 35.23 H new ATOM 0 HG22 ILE A 77 1.439 -4.594 -4.075 1.00 35.23 H new ATOM 0 HG23 ILE A 77 0.690 -4.187 -2.513 1.00 35.23 H new ATOM 0 HD11 ILE A 77 1.885 -0.091 -1.690 1.00 53.13 H new ATOM 0 HD12 ILE A 77 2.651 -0.543 -3.232 1.00 53.13 H new ATOM 0 HD13 ILE A 77 0.988 -1.068 -2.876 1.00 53.13 H new ATOM 1267 N GLU A 78 4.493 -5.679 -4.046 1.00 23.14 N ATOM 1268 CA GLU A 78 4.709 -6.743 -5.062 1.00 42.34 C ATOM 1269 C GLU A 78 5.246 -8.054 -4.419 1.00 23.23 C ATOM 1270 O GLU A 78 4.931 -9.160 -4.865 1.00 53.04 O ATOM 1271 CB GLU A 78 5.703 -6.237 -6.135 1.00 22.12 C ATOM 1272 CG GLU A 78 5.794 -7.117 -7.402 1.00 61.31 C ATOM 1273 CD GLU A 78 6.971 -6.733 -8.322 1.00 72.40 C ATOM 1274 OE1 GLU A 78 7.003 -5.582 -8.822 1.00 34.34 O ATOM 1275 OE2 GLU A 78 7.870 -7.577 -8.535 1.00 1.13 O ATOM 0 H GLU A 78 5.138 -4.894 -4.135 1.00 23.14 H new ATOM 0 HA GLU A 78 3.748 -6.971 -5.522 1.00 42.34 H new ATOM 0 HB2 GLU A 78 5.414 -5.228 -6.431 1.00 22.12 H new ATOM 0 HB3 GLU A 78 6.694 -6.166 -5.687 1.00 22.12 H new ATOM 0 HG2 GLU A 78 5.898 -8.161 -7.105 1.00 61.31 H new ATOM 0 HG3 GLU A 78 4.862 -7.036 -7.961 1.00 61.31 H new ATOM 1282 N LYS A 79 6.071 -7.890 -3.371 1.00 72.30 N ATOM 1283 CA LYS A 79 6.631 -9.008 -2.569 1.00 71.13 C ATOM 1284 C LYS A 79 5.537 -9.693 -1.701 1.00 73.33 C ATOM 1285 O LYS A 79 5.604 -10.899 -1.428 1.00 33.44 O ATOM 1286 CB LYS A 79 7.822 -8.466 -1.716 1.00 22.24 C ATOM 1287 CG LYS A 79 9.009 -7.974 -2.588 1.00 33.04 C ATOM 1288 CD LYS A 79 10.073 -7.117 -1.853 1.00 41.12 C ATOM 1289 CE LYS A 79 10.844 -7.852 -0.740 1.00 0.33 C ATOM 1290 NZ LYS A 79 10.120 -7.848 0.555 1.00 32.43 N ATOM 0 H LYS A 79 6.375 -6.971 -3.048 1.00 72.30 H new ATOM 0 HA LYS A 79 7.006 -9.786 -3.235 1.00 71.13 H new ATOM 0 HB2 LYS A 79 7.471 -7.645 -1.090 1.00 22.24 H new ATOM 0 HB3 LYS A 79 8.170 -9.252 -1.045 1.00 22.24 H new ATOM 0 HG2 LYS A 79 9.504 -8.844 -3.019 1.00 33.04 H new ATOM 0 HG3 LYS A 79 8.609 -7.391 -3.418 1.00 33.04 H new ATOM 0 HD2 LYS A 79 10.789 -6.746 -2.586 1.00 41.12 H new ATOM 0 HD3 LYS A 79 9.581 -6.246 -1.420 1.00 41.12 H new ATOM 0 HE2 LYS A 79 11.025 -8.882 -1.048 1.00 0.33 H new ATOM 0 HE3 LYS A 79 11.819 -7.383 -0.608 1.00 0.33 H new ATOM 0 HZ1 LYS A 79 10.795 -8.004 1.331 1.00 32.43 H new ATOM 0 HZ2 LYS A 79 9.648 -6.931 0.686 1.00 32.43 H new ATOM 0 HZ3 LYS A 79 9.409 -8.607 0.557 1.00 32.43 H new ATOM 1304 N LEU A 80 4.535 -8.904 -1.282 1.00 54.23 N ATOM 1305 CA LEU A 80 3.315 -9.417 -0.609 1.00 62.12 C ATOM 1306 C LEU A 80 2.321 -10.036 -1.631 1.00 74.45 C ATOM 1307 O LEU A 80 1.580 -10.947 -1.286 1.00 64.31 O ATOM 1308 CB LEU A 80 2.646 -8.294 0.250 1.00 11.21 C ATOM 1309 CG LEU A 80 3.180 -8.137 1.716 1.00 33.10 C ATOM 1310 CD1 LEU A 80 2.872 -9.389 2.557 1.00 43.22 C ATOM 1311 CD2 LEU A 80 4.688 -7.814 1.757 1.00 61.10 C ATOM 0 H LEU A 80 4.541 -7.891 -1.397 1.00 54.23 H new ATOM 0 HA LEU A 80 3.611 -10.219 0.068 1.00 62.12 H new ATOM 0 HB2 LEU A 80 2.777 -7.343 -0.267 1.00 11.21 H new ATOM 0 HB3 LEU A 80 1.574 -8.488 0.294 1.00 11.21 H new ATOM 0 HG LEU A 80 2.653 -7.288 2.152 1.00 33.10 H new ATOM 0 HD11 LEU A 80 3.254 -9.251 3.568 1.00 43.22 H new ATOM 0 HD12 LEU A 80 1.794 -9.546 2.595 1.00 43.22 H new ATOM 0 HD13 LEU A 80 3.350 -10.258 2.104 1.00 43.22 H new ATOM 0 HD21 LEU A 80 5.011 -7.715 2.793 1.00 61.10 H new ATOM 0 HD22 LEU A 80 5.246 -8.619 1.279 1.00 61.10 H new ATOM 0 HD23 LEU A 80 4.874 -6.880 1.228 1.00 61.10 H new ATOM 1323 N LEU A 81 2.314 -9.516 -2.881 1.00 64.54 N ATOM 1324 CA LEU A 81 1.569 -10.119 -4.028 1.00 34.41 C ATOM 1325 C LEU A 81 2.140 -11.515 -4.376 1.00 53.13 C ATOM 1326 O LEU A 81 1.398 -12.428 -4.759 1.00 25.11 O ATOM 1327 CB LEU A 81 1.635 -9.181 -5.285 1.00 72.22 C ATOM 1328 CG LEU A 81 0.404 -8.253 -5.562 1.00 60.24 C ATOM 1329 CD1 LEU A 81 -0.041 -7.470 -4.309 1.00 35.42 C ATOM 1330 CD2 LEU A 81 0.713 -7.287 -6.738 1.00 31.05 C ATOM 0 H LEU A 81 2.822 -8.667 -3.130 1.00 64.54 H new ATOM 0 HA LEU A 81 0.526 -10.233 -3.732 1.00 34.41 H new ATOM 0 HB2 LEU A 81 2.517 -8.548 -5.186 1.00 72.22 H new ATOM 0 HB3 LEU A 81 1.788 -9.807 -6.164 1.00 72.22 H new ATOM 0 HG LEU A 81 -0.431 -8.897 -5.840 1.00 60.24 H new ATOM 0 HD11 LEU A 81 -0.897 -6.843 -4.557 1.00 35.42 H new ATOM 0 HD12 LEU A 81 -0.320 -8.171 -3.522 1.00 35.42 H new ATOM 0 HD13 LEU A 81 0.780 -6.843 -3.961 1.00 35.42 H new ATOM 0 HD21 LEU A 81 -0.151 -6.648 -6.920 1.00 31.05 H new ATOM 0 HD22 LEU A 81 1.575 -6.669 -6.485 1.00 31.05 H new ATOM 0 HD23 LEU A 81 0.932 -7.865 -7.636 1.00 31.05 H new ATOM 1342 N LYS A 82 3.475 -11.641 -4.237 1.00 53.31 N ATOM 1343 CA LYS A 82 4.218 -12.901 -4.469 1.00 54.44 C ATOM 1344 C LYS A 82 3.725 -14.007 -3.491 1.00 1.23 C ATOM 1345 O LYS A 82 3.612 -15.183 -3.852 1.00 70.31 O ATOM 1346 CB LYS A 82 5.760 -12.647 -4.289 1.00 51.22 C ATOM 1347 CG LYS A 82 6.675 -13.270 -5.374 1.00 74.41 C ATOM 1348 CD LYS A 82 6.606 -12.526 -6.734 1.00 51.00 C ATOM 1349 CE LYS A 82 7.143 -11.075 -6.658 1.00 12.55 C ATOM 1350 NZ LYS A 82 7.195 -10.415 -7.998 1.00 53.21 N ATOM 0 H LYS A 82 4.075 -10.865 -3.958 1.00 53.31 H new ATOM 0 HA LYS A 82 4.035 -13.243 -5.488 1.00 54.44 H new ATOM 0 HB2 LYS A 82 5.932 -11.571 -4.269 1.00 51.22 H new ATOM 0 HB3 LYS A 82 6.063 -13.037 -3.317 1.00 51.22 H new ATOM 0 HG2 LYS A 82 7.705 -13.266 -5.017 1.00 74.41 H new ATOM 0 HG3 LYS A 82 6.393 -14.312 -5.523 1.00 74.41 H new ATOM 0 HD2 LYS A 82 7.180 -13.082 -7.475 1.00 51.00 H new ATOM 0 HD3 LYS A 82 5.572 -12.507 -7.080 1.00 51.00 H new ATOM 0 HE2 LYS A 82 6.508 -10.490 -5.992 1.00 12.55 H new ATOM 0 HE3 LYS A 82 8.141 -11.083 -6.221 1.00 12.55 H new ATOM 0 HZ1 LYS A 82 7.463 -9.417 -7.883 1.00 53.21 H new ATOM 0 HZ2 LYS A 82 7.898 -10.896 -8.595 1.00 53.21 H new ATOM 0 HZ3 LYS A 82 6.260 -10.472 -8.450 1.00 53.21 H new ATOM 1364 N LYS A 83 3.482 -13.593 -2.238 1.00 10.32 N ATOM 1365 CA LYS A 83 2.855 -14.433 -1.196 1.00 74.24 C ATOM 1366 C LYS A 83 1.325 -14.635 -1.433 1.00 21.35 C ATOM 1367 O LYS A 83 0.798 -15.732 -1.223 1.00 65.43 O ATOM 1368 CB LYS A 83 3.097 -13.779 0.191 1.00 4.45 C ATOM 1369 CG LYS A 83 4.576 -13.674 0.625 1.00 74.05 C ATOM 1370 CD LYS A 83 5.227 -15.057 0.862 1.00 22.43 C ATOM 1371 CE LYS A 83 6.664 -14.954 1.406 1.00 71.43 C ATOM 1372 NZ LYS A 83 7.247 -16.287 1.721 1.00 5.23 N ATOM 0 H LYS A 83 3.717 -12.655 -1.912 1.00 10.32 H new ATOM 0 HA LYS A 83 3.314 -15.421 -1.238 1.00 74.24 H new ATOM 0 HB2 LYS A 83 2.667 -12.778 0.182 1.00 4.45 H new ATOM 0 HB3 LYS A 83 2.555 -14.352 0.943 1.00 4.45 H new ATOM 0 HG2 LYS A 83 5.138 -13.139 -0.140 1.00 74.05 H new ATOM 0 HG3 LYS A 83 4.641 -13.084 1.540 1.00 74.05 H new ATOM 0 HD2 LYS A 83 4.617 -15.625 1.564 1.00 22.43 H new ATOM 0 HD3 LYS A 83 5.237 -15.614 -0.075 1.00 22.43 H new ATOM 0 HE2 LYS A 83 7.292 -14.450 0.672 1.00 71.43 H new ATOM 0 HE3 LYS A 83 6.666 -14.338 2.305 1.00 71.43 H new ATOM 0 HZ1 LYS A 83 8.214 -16.166 2.084 1.00 5.23 H new ATOM 0 HZ2 LYS A 83 6.664 -16.760 2.441 1.00 5.23 H new ATOM 0 HZ3 LYS A 83 7.271 -16.868 0.859 1.00 5.23 H new ATOM 1386 N ALA A 84 0.640 -13.555 -1.867 1.00 35.32 N ATOM 1387 CA ALA A 84 -0.851 -13.475 -1.914 1.00 44.32 C ATOM 1388 C ALA A 84 -1.499 -14.398 -2.969 1.00 60.32 C ATOM 1389 O ALA A 84 -2.627 -14.876 -2.779 1.00 51.02 O ATOM 1390 CB ALA A 84 -1.286 -12.019 -2.138 1.00 63.05 C ATOM 0 H ALA A 84 1.100 -12.707 -2.198 1.00 35.32 H new ATOM 0 HA ALA A 84 -1.208 -13.834 -0.949 1.00 44.32 H new ATOM 0 HB1 ALA A 84 -2.374 -11.965 -2.172 1.00 63.05 H new ATOM 0 HB2 ALA A 84 -0.917 -11.399 -1.321 1.00 63.05 H new ATOM 0 HB3 ALA A 84 -0.876 -11.658 -3.081 1.00 63.05 H new