USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 63 SER OG : rot 130:sc= 0.129 USER MOD Set 1.2: A 66 CYS SG : rot 180:sc= 0.00112 USER MOD Single : A 23 MET CE :methyl 179:sc= 0 (180deg=-0.00254) USER MOD Single : A 34 ASN : amide:sc= -2.21! C(o=-2.2!,f=-7.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.535 K(o=0.53,f=-0.44) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 160:sc= -1.33 (180deg=-2.25) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.54 USER MOD Single : A 75 GLN : amide:sc= -3.37! C(o=-3.4!,f=-5!) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00348 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 140:sc= 0.0719 USER MOD Single : A 92 ASN : amide:sc= -1.04 K(o=-1,f=-4.3) USER MOD Single : A 96 ASN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -126:sc= -1.04 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 2.469 -3.811 -14.445 1.00 10.43 N ATOM 111 CA ALA A 10 2.948 -2.865 -15.460 1.00 42.44 C ATOM 112 C ALA A 10 4.201 -3.401 -16.179 1.00 23.32 C ATOM 113 O ALA A 10 4.824 -4.363 -15.721 1.00 24.41 O ATOM 114 CB ALA A 10 3.221 -1.499 -14.822 1.00 14.22 C ATOM 0 HA ALA A 10 2.168 -2.747 -16.212 1.00 42.44 H new ATOM 0 HB1 ALA A 10 3.576 -0.806 -15.585 1.00 14.22 H new ATOM 0 HB2 ALA A 10 2.302 -1.114 -14.380 1.00 14.22 H new ATOM 0 HB3 ALA A 10 3.980 -1.605 -14.047 1.00 14.22 H new ATOM 120 N PRO A 11 4.568 -2.817 -17.342 1.00 3.42 N ATOM 121 CA PRO A 11 5.805 -3.181 -18.050 1.00 70.21 C ATOM 122 C PRO A 11 7.052 -2.834 -17.228 1.00 52.13 C ATOM 123 O PRO A 11 7.092 -1.802 -16.553 1.00 35.51 O ATOM 124 CB PRO A 11 5.749 -2.351 -19.343 1.00 31.34 C ATOM 125 CG PRO A 11 4.811 -1.232 -19.038 1.00 20.55 C ATOM 126 CD PRO A 11 3.800 -1.789 -18.073 1.00 55.23 C ATOM 0 HA PRO A 11 5.873 -4.253 -18.237 1.00 70.21 H new ATOM 0 HB2 PRO A 11 6.736 -1.977 -19.616 1.00 31.34 H new ATOM 0 HB3 PRO A 11 5.392 -2.949 -20.182 1.00 31.34 H new ATOM 0 HG2 PRO A 11 5.342 -0.386 -18.602 1.00 20.55 H new ATOM 0 HG3 PRO A 11 4.327 -0.871 -19.945 1.00 20.55 H new ATOM 0 HD2 PRO A 11 3.416 -1.020 -17.403 1.00 55.23 H new ATOM 0 HD3 PRO A 11 2.942 -2.218 -18.591 1.00 55.23 H new ATOM 134 N ALA A 12 8.069 -3.689 -17.318 1.00 73.43 N ATOM 135 CA ALA A 12 9.275 -3.588 -16.488 1.00 75.40 C ATOM 136 C ALA A 12 9.910 -2.196 -16.538 1.00 21.51 C ATOM 137 O ALA A 12 10.382 -1.686 -15.517 1.00 60.14 O ATOM 138 CB ALA A 12 10.291 -4.644 -16.915 1.00 22.14 C ATOM 0 H ALA A 12 8.083 -4.474 -17.969 1.00 73.43 H new ATOM 0 HA ALA A 12 8.971 -3.763 -15.456 1.00 75.40 H new ATOM 0 HB1 ALA A 12 11.183 -4.562 -16.294 1.00 22.14 H new ATOM 0 HB2 ALA A 12 9.856 -5.636 -16.797 1.00 22.14 H new ATOM 0 HB3 ALA A 12 10.560 -4.488 -17.960 1.00 22.14 H new ATOM 144 N GLU A 13 9.905 -1.587 -17.723 1.00 45.13 N ATOM 145 CA GLU A 13 10.531 -0.274 -17.934 1.00 64.11 C ATOM 146 C GLU A 13 9.978 0.756 -16.951 1.00 11.34 C ATOM 147 O GLU A 13 10.727 1.464 -16.272 1.00 14.14 O ATOM 148 CB GLU A 13 10.298 0.223 -19.375 1.00 54.42 C ATOM 149 CG GLU A 13 10.956 -0.629 -20.462 1.00 34.31 C ATOM 150 CD GLU A 13 10.386 -2.034 -20.561 1.00 51.21 C ATOM 151 OE1 GLU A 13 9.245 -2.187 -21.049 1.00 52.41 O ATOM 152 OE2 GLU A 13 11.072 -2.993 -20.154 1.00 53.51 O ATOM 0 H GLU A 13 9.473 -1.981 -18.559 1.00 45.13 H new ATOM 0 HA GLU A 13 11.602 -0.392 -17.766 1.00 64.11 H new ATOM 0 HB2 GLU A 13 9.225 0.260 -19.562 1.00 54.42 H new ATOM 0 HB3 GLU A 13 10.672 1.244 -19.457 1.00 54.42 H new ATOM 0 HG2 GLU A 13 10.839 -0.130 -21.424 1.00 34.31 H new ATOM 0 HG3 GLU A 13 12.026 -0.693 -20.264 1.00 34.31 H new ATOM 159 N GLU A 14 8.657 0.825 -16.879 1.00 4.14 N ATOM 160 CA GLU A 14 7.980 1.790 -16.028 1.00 31.11 C ATOM 161 C GLU A 14 7.935 1.284 -14.592 1.00 45.53 C ATOM 162 O GLU A 14 8.157 2.043 -13.652 1.00 53.11 O ATOM 163 CB GLU A 14 6.566 2.053 -16.564 1.00 33.15 C ATOM 164 CG GLU A 14 6.558 2.636 -17.975 1.00 34.10 C ATOM 165 CD GLU A 14 5.163 2.783 -18.560 1.00 35.10 C ATOM 166 OE1 GLU A 14 4.456 3.740 -18.191 1.00 33.01 O ATOM 167 OE2 GLU A 14 4.771 1.951 -19.407 1.00 35.34 O ATOM 0 H GLU A 14 8.029 0.218 -17.405 1.00 4.14 H new ATOM 0 HA GLU A 14 8.533 2.729 -16.037 1.00 31.11 H new ATOM 0 HB2 GLU A 14 6.003 1.120 -16.560 1.00 33.15 H new ATOM 0 HB3 GLU A 14 6.051 2.739 -15.891 1.00 33.15 H new ATOM 0 HG2 GLU A 14 7.042 3.613 -17.959 1.00 34.10 H new ATOM 0 HG3 GLU A 14 7.152 1.996 -18.628 1.00 34.10 H new ATOM 174 N LEU A 15 7.682 -0.012 -14.444 1.00 23.52 N ATOM 175 CA LEU A 15 7.540 -0.645 -13.135 1.00 20.05 C ATOM 176 C LEU A 15 8.763 -0.388 -12.257 1.00 55.21 C ATOM 177 O LEU A 15 8.634 0.112 -11.144 1.00 32.44 O ATOM 178 CB LEU A 15 7.297 -2.161 -13.314 1.00 24.33 C ATOM 179 CG LEU A 15 7.099 -3.003 -12.027 1.00 40.31 C ATOM 180 CD1 LEU A 15 8.435 -3.374 -11.380 1.00 5.44 C ATOM 181 CD2 LEU A 15 6.203 -2.269 -11.027 1.00 72.23 C ATOM 0 H LEU A 15 7.569 -0.655 -15.228 1.00 23.52 H new ATOM 0 HA LEU A 15 6.681 -0.205 -12.628 1.00 20.05 H new ATOM 0 HB2 LEU A 15 6.415 -2.290 -13.941 1.00 24.33 H new ATOM 0 HB3 LEU A 15 8.142 -2.576 -13.863 1.00 24.33 H new ATOM 0 HG LEU A 15 6.606 -3.930 -12.320 1.00 40.31 H new ATOM 0 HD11 LEU A 15 8.253 -3.963 -10.481 1.00 5.44 H new ATOM 0 HD12 LEU A 15 9.030 -3.958 -12.083 1.00 5.44 H new ATOM 0 HD13 LEU A 15 8.975 -2.465 -11.115 1.00 5.44 H new ATOM 0 HD21 LEU A 15 6.079 -2.880 -10.133 1.00 72.23 H new ATOM 0 HD22 LEU A 15 6.662 -1.318 -10.756 1.00 72.23 H new ATOM 0 HD23 LEU A 15 5.228 -2.085 -11.479 1.00 72.23 H new ATOM 193 N LEU A 16 9.948 -0.710 -12.771 1.00 14.41 N ATOM 194 CA LEU A 16 11.168 -0.662 -11.961 1.00 12.23 C ATOM 195 C LEU A 16 11.392 0.746 -11.388 1.00 70.35 C ATOM 196 O LEU A 16 11.593 0.917 -10.176 1.00 11.43 O ATOM 197 CB LEU A 16 12.373 -1.176 -12.786 1.00 41.45 C ATOM 198 CG LEU A 16 13.027 -0.186 -13.768 1.00 40.10 C ATOM 199 CD1 LEU A 16 14.057 0.667 -13.037 1.00 34.32 C ATOM 200 CD2 LEU A 16 13.670 -0.920 -14.946 1.00 11.22 C ATOM 0 H LEU A 16 10.092 -1.005 -13.737 1.00 14.41 H new ATOM 0 HA LEU A 16 11.058 -1.326 -11.103 1.00 12.23 H new ATOM 0 HB2 LEU A 16 13.139 -1.516 -12.089 1.00 41.45 H new ATOM 0 HB3 LEU A 16 12.047 -2.048 -13.353 1.00 41.45 H new ATOM 0 HG LEU A 16 12.250 0.465 -14.169 1.00 40.10 H new ATOM 0 HD11 LEU A 16 14.515 1.365 -13.738 1.00 34.32 H new ATOM 0 HD12 LEU A 16 13.567 1.224 -12.238 1.00 34.32 H new ATOM 0 HD13 LEU A 16 14.826 0.023 -12.611 1.00 34.32 H new ATOM 0 HD21 LEU A 16 14.124 -0.195 -15.622 1.00 11.22 H new ATOM 0 HD22 LEU A 16 14.437 -1.600 -14.576 1.00 11.22 H new ATOM 0 HD23 LEU A 16 12.908 -1.488 -15.480 1.00 11.22 H new ATOM 212 N ALA A 17 11.297 1.749 -12.252 1.00 1.11 N ATOM 213 CA ALA A 17 11.542 3.129 -11.857 1.00 2.34 C ATOM 214 C ALA A 17 10.432 3.633 -10.941 1.00 4.10 C ATOM 215 O ALA A 17 10.692 4.212 -9.880 1.00 45.21 O ATOM 216 CB ALA A 17 11.659 4.015 -13.094 1.00 22.02 C ATOM 0 H ALA A 17 11.051 1.631 -13.235 1.00 1.11 H new ATOM 0 HA ALA A 17 12.481 3.171 -11.306 1.00 2.34 H new ATOM 0 HB1 ALA A 17 11.842 5.045 -12.788 1.00 22.02 H new ATOM 0 HB2 ALA A 17 12.486 3.668 -13.713 1.00 22.02 H new ATOM 0 HB3 ALA A 17 10.732 3.966 -13.666 1.00 22.02 H new ATOM 222 N ASP A 18 9.196 3.374 -11.346 1.00 24.35 N ATOM 223 CA ASP A 18 8.033 3.873 -10.627 1.00 33.44 C ATOM 224 C ASP A 18 7.971 3.267 -9.231 1.00 74.10 C ATOM 225 O ASP A 18 7.743 3.976 -8.253 1.00 43.31 O ATOM 226 CB ASP A 18 6.740 3.566 -11.394 1.00 61.04 C ATOM 227 CG ASP A 18 5.605 4.489 -10.984 1.00 1.20 C ATOM 228 OD1 ASP A 18 4.742 4.071 -10.188 1.00 44.12 O ATOM 229 OD2 ASP A 18 5.581 5.645 -11.469 1.00 60.41 O ATOM 0 H ASP A 18 8.973 2.819 -12.172 1.00 24.35 H new ATOM 0 HA ASP A 18 8.130 4.955 -10.538 1.00 33.44 H new ATOM 0 HB2 ASP A 18 6.920 3.666 -12.464 1.00 61.04 H new ATOM 0 HB3 ASP A 18 6.449 2.531 -11.215 1.00 61.04 H new ATOM 234 N VAL A 19 8.193 1.955 -9.137 1.00 14.12 N ATOM 235 CA VAL A 19 8.191 1.278 -7.844 1.00 1.22 C ATOM 236 C VAL A 19 9.378 1.745 -7.011 1.00 24.45 C ATOM 237 O VAL A 19 9.257 1.914 -5.800 1.00 54.00 O ATOM 238 CB VAL A 19 8.211 -0.275 -7.961 1.00 34.32 C ATOM 239 CG1 VAL A 19 9.591 -0.800 -8.362 1.00 34.51 C ATOM 240 CG2 VAL A 19 7.748 -0.917 -6.652 1.00 30.13 C ATOM 0 H VAL A 19 8.375 1.346 -9.935 1.00 14.12 H new ATOM 0 HA VAL A 19 7.254 1.546 -7.355 1.00 1.22 H new ATOM 0 HB VAL A 19 7.516 -0.553 -8.753 1.00 34.32 H new ATOM 0 HG11 VAL A 19 9.560 -1.887 -8.432 1.00 34.51 H new ATOM 0 HG12 VAL A 19 9.873 -0.382 -9.328 1.00 34.51 H new ATOM 0 HG13 VAL A 19 10.325 -0.505 -7.612 1.00 34.51 H new ATOM 0 HG21 VAL A 19 7.768 -2.002 -6.752 1.00 30.13 H new ATOM 0 HG22 VAL A 19 8.413 -0.615 -5.843 1.00 30.13 H new ATOM 0 HG23 VAL A 19 6.732 -0.592 -6.427 1.00 30.13 H new ATOM 250 N GLU A 20 10.526 1.958 -7.663 1.00 5.33 N ATOM 251 CA GLU A 20 11.700 2.498 -6.983 1.00 23.22 C ATOM 252 C GLU A 20 11.345 3.815 -6.287 1.00 14.41 C ATOM 253 O GLU A 20 11.734 4.053 -5.142 1.00 24.45 O ATOM 254 CB GLU A 20 12.841 2.713 -7.985 1.00 73.44 C ATOM 255 CG GLU A 20 14.149 3.179 -7.354 1.00 65.21 C ATOM 256 CD GLU A 20 15.258 3.352 -8.379 1.00 40.33 C ATOM 257 OE1 GLU A 20 16.014 2.385 -8.616 1.00 31.44 O ATOM 258 OE2 GLU A 20 15.368 4.451 -8.964 1.00 20.43 O ATOM 0 H GLU A 20 10.663 1.765 -8.655 1.00 5.33 H new ATOM 0 HA GLU A 20 12.031 1.783 -6.230 1.00 23.22 H new ATOM 0 HB2 GLU A 20 13.021 1.780 -8.519 1.00 73.44 H new ATOM 0 HB3 GLU A 20 12.526 3.448 -8.725 1.00 73.44 H new ATOM 0 HG2 GLU A 20 13.984 4.125 -6.839 1.00 65.21 H new ATOM 0 HG3 GLU A 20 14.464 2.456 -6.601 1.00 65.21 H new ATOM 265 N GLU A 21 10.591 4.662 -6.987 1.00 33.04 N ATOM 266 CA GLU A 21 10.135 5.933 -6.425 1.00 52.23 C ATOM 267 C GLU A 21 9.045 5.710 -5.372 1.00 0.43 C ATOM 268 O GLU A 21 9.069 6.322 -4.306 1.00 44.24 O ATOM 269 CB GLU A 21 9.623 6.854 -7.540 1.00 54.11 C ATOM 270 CG GLU A 21 10.698 7.234 -8.553 1.00 40.52 C ATOM 271 CD GLU A 21 10.190 8.198 -9.611 1.00 14.24 C ATOM 272 OE1 GLU A 21 10.028 9.398 -9.302 1.00 71.33 O ATOM 273 OE2 GLU A 21 9.952 7.768 -10.756 1.00 23.41 O ATOM 0 H GLU A 21 10.283 4.491 -7.944 1.00 33.04 H new ATOM 0 HA GLU A 21 10.983 6.412 -5.935 1.00 52.23 H new ATOM 0 HB2 GLU A 21 8.802 6.361 -8.060 1.00 54.11 H new ATOM 0 HB3 GLU A 21 9.218 7.762 -7.094 1.00 54.11 H new ATOM 0 HG2 GLU A 21 11.541 7.686 -8.030 1.00 40.52 H new ATOM 0 HG3 GLU A 21 11.070 6.332 -9.038 1.00 40.52 H new ATOM 280 N ALA A 22 8.100 4.821 -5.669 1.00 12.44 N ATOM 281 CA ALA A 22 6.985 4.539 -4.760 1.00 60.20 C ATOM 282 C ALA A 22 7.497 3.996 -3.428 1.00 32.44 C ATOM 283 O ALA A 22 6.936 4.271 -2.362 1.00 4.24 O ATOM 284 CB ALA A 22 6.013 3.554 -5.403 1.00 22.11 C ATOM 0 H ALA A 22 8.082 4.281 -6.534 1.00 12.44 H new ATOM 0 HA ALA A 22 6.456 5.472 -4.565 1.00 60.20 H new ATOM 0 HB1 ALA A 22 5.190 3.354 -4.716 1.00 22.11 H new ATOM 0 HB2 ALA A 22 5.620 3.981 -6.326 1.00 22.11 H new ATOM 0 HB3 ALA A 22 6.533 2.623 -5.627 1.00 22.11 H new ATOM 290 N MET A 23 8.586 3.243 -3.501 1.00 33.31 N ATOM 291 CA MET A 23 9.207 2.650 -2.321 1.00 71.13 C ATOM 292 C MET A 23 9.715 3.729 -1.361 1.00 45.02 C ATOM 293 O MET A 23 10.042 3.439 -0.219 1.00 75.01 O ATOM 294 CB MET A 23 10.346 1.701 -2.737 1.00 1.23 C ATOM 295 CG MET A 23 9.861 0.378 -3.324 1.00 15.42 C ATOM 296 SD MET A 23 9.064 -0.673 -2.093 1.00 55.44 S ATOM 297 CE MET A 23 8.590 -2.085 -3.091 1.00 22.14 C ATOM 0 H MET A 23 9.064 3.026 -4.376 1.00 33.31 H new ATOM 0 HA MET A 23 8.450 2.070 -1.792 1.00 71.13 H new ATOM 0 HB2 MET A 23 10.976 2.204 -3.470 1.00 1.23 H new ATOM 0 HB3 MET A 23 10.971 1.495 -1.868 1.00 1.23 H new ATOM 0 HG2 MET A 23 9.160 0.579 -4.134 1.00 15.42 H new ATOM 0 HG3 MET A 23 10.707 -0.155 -3.759 1.00 15.42 H new ATOM 0 HE1 MET A 23 8.101 -2.828 -2.461 1.00 22.14 H new ATOM 0 HE2 MET A 23 7.902 -1.763 -3.873 1.00 22.14 H new ATOM 0 HE3 MET A 23 9.478 -2.523 -3.546 1.00 22.14 H new ATOM 307 N ARG A 24 9.783 4.971 -1.837 1.00 33.25 N ATOM 308 CA ARG A 24 10.178 6.107 -1.001 1.00 74.35 C ATOM 309 C ARG A 24 9.050 6.510 -0.048 1.00 72.45 C ATOM 310 O ARG A 24 9.297 7.095 1.010 1.00 2.54 O ATOM 311 CB ARG A 24 10.552 7.310 -1.881 1.00 62.34 C ATOM 312 CG ARG A 24 10.764 8.612 -1.107 1.00 34.41 C ATOM 313 CD ARG A 24 10.861 9.816 -2.036 1.00 11.40 C ATOM 314 NE ARG A 24 10.867 11.080 -1.294 1.00 12.35 N ATOM 315 CZ ARG A 24 10.349 12.220 -1.750 1.00 33.11 C ATOM 316 NH1 ARG A 24 9.705 12.251 -2.909 1.00 71.41 N ATOM 317 NH2 ARG A 24 10.442 13.323 -1.022 1.00 44.14 N ATOM 0 H ARG A 24 9.569 5.219 -2.803 1.00 33.25 H new ATOM 0 HA ARG A 24 11.042 5.801 -0.411 1.00 74.35 H new ATOM 0 HB2 ARG A 24 11.464 7.075 -2.430 1.00 62.34 H new ATOM 0 HB3 ARG A 24 9.765 7.464 -2.620 1.00 62.34 H new ATOM 0 HG2 ARG A 24 9.940 8.758 -0.409 1.00 34.41 H new ATOM 0 HG3 ARG A 24 11.675 8.537 -0.513 1.00 34.41 H new ATOM 0 HD2 ARG A 24 11.770 9.741 -2.633 1.00 11.40 H new ATOM 0 HD3 ARG A 24 10.021 9.807 -2.731 1.00 11.40 H new ATOM 0 HE ARG A 24 11.296 11.088 -0.368 1.00 12.35 H new ATOM 0 HH11 ARG A 24 9.603 11.398 -3.459 1.00 71.41 H new ATOM 0 HH12 ARG A 24 9.312 13.128 -3.251 1.00 71.41 H new ATOM 0 HH21 ARG A 24 10.909 13.298 -0.116 1.00 44.14 H new ATOM 0 HH22 ARG A 24 10.047 14.197 -1.368 1.00 44.14 H new ATOM 331 N ASP A 25 7.814 6.184 -0.412 1.00 74.11 N ATOM 332 CA ASP A 25 6.647 6.664 0.328 1.00 21.35 C ATOM 333 C ASP A 25 5.939 5.501 0.983 1.00 11.42 C ATOM 334 O ASP A 25 5.241 5.651 1.984 1.00 64.15 O ATOM 335 CB ASP A 25 5.690 7.418 -0.612 1.00 1.24 C ATOM 336 CG ASP A 25 6.144 8.845 -0.885 1.00 22.15 C ATOM 337 OD1 ASP A 25 6.650 9.123 -1.995 1.00 72.24 O ATOM 338 OD2 ASP A 25 5.989 9.699 0.019 1.00 31.51 O ATOM 0 H ASP A 25 7.592 5.591 -1.212 1.00 74.11 H new ATOM 0 HA ASP A 25 6.979 7.354 1.104 1.00 21.35 H new ATOM 0 HB2 ASP A 25 5.613 6.878 -1.556 1.00 1.24 H new ATOM 0 HB3 ASP A 25 4.693 7.435 -0.172 1.00 1.24 H new ATOM 343 N VAL A 26 6.155 4.332 0.413 1.00 73.23 N ATOM 344 CA VAL A 26 5.541 3.107 0.861 1.00 65.10 C ATOM 345 C VAL A 26 6.486 2.358 1.828 1.00 74.53 C ATOM 346 O VAL A 26 6.425 1.139 1.994 1.00 73.00 O ATOM 347 CB VAL A 26 5.184 2.277 -0.396 1.00 71.43 C ATOM 348 CG1 VAL A 26 4.527 0.968 -0.034 1.00 63.10 C ATOM 349 CG2 VAL A 26 4.272 3.096 -1.318 1.00 51.35 C ATOM 0 H VAL A 26 6.774 4.209 -0.388 1.00 73.23 H new ATOM 0 HA VAL A 26 4.628 3.301 1.424 1.00 65.10 H new ATOM 0 HB VAL A 26 6.111 2.042 -0.919 1.00 71.43 H new ATOM 0 HG11 VAL A 26 4.292 0.415 -0.943 1.00 63.10 H new ATOM 0 HG12 VAL A 26 5.205 0.379 0.584 1.00 63.10 H new ATOM 0 HG13 VAL A 26 3.609 1.163 0.520 1.00 63.10 H new ATOM 0 HG21 VAL A 26 4.024 2.507 -2.201 1.00 51.35 H new ATOM 0 HG22 VAL A 26 3.357 3.356 -0.787 1.00 51.35 H new ATOM 0 HG23 VAL A 26 4.786 4.007 -1.623 1.00 51.35 H new ATOM 359 N VAL A 27 7.343 3.128 2.496 1.00 61.01 N ATOM 360 CA VAL A 27 8.269 2.600 3.496 1.00 21.13 C ATOM 361 C VAL A 27 8.530 3.685 4.539 1.00 12.35 C ATOM 362 O VAL A 27 8.141 4.837 4.334 1.00 65.22 O ATOM 363 CB VAL A 27 9.615 2.159 2.848 1.00 34.25 C ATOM 364 CG1 VAL A 27 10.537 3.357 2.614 1.00 71.21 C ATOM 365 CG2 VAL A 27 10.313 1.094 3.689 1.00 22.12 C ATOM 0 H VAL A 27 7.415 4.136 2.359 1.00 61.01 H new ATOM 0 HA VAL A 27 7.822 1.722 3.961 1.00 21.13 H new ATOM 0 HB VAL A 27 9.382 1.720 1.878 1.00 34.25 H new ATOM 0 HG11 VAL A 27 11.468 3.017 2.161 1.00 71.21 H new ATOM 0 HG12 VAL A 27 10.048 4.068 1.948 1.00 71.21 H new ATOM 0 HG13 VAL A 27 10.753 3.841 3.566 1.00 71.21 H new ATOM 0 HG21 VAL A 27 11.249 0.808 3.210 1.00 22.12 H new ATOM 0 HG22 VAL A 27 10.521 1.493 4.682 1.00 22.12 H new ATOM 0 HG23 VAL A 27 9.668 0.220 3.777 1.00 22.12 H new ATOM 375 N ASP A 28 9.173 3.338 5.653 1.00 24.33 N ATOM 376 CA ASP A 28 9.565 4.344 6.634 1.00 33.53 C ATOM 377 C ASP A 28 11.057 4.632 6.518 1.00 71.35 C ATOM 378 O ASP A 28 11.885 3.848 6.994 1.00 23.53 O ATOM 379 CB ASP A 28 9.236 3.899 8.065 1.00 54.02 C ATOM 380 CG ASP A 28 9.760 4.894 9.098 1.00 5.44 C ATOM 381 OD1 ASP A 28 10.872 4.677 9.626 1.00 24.44 O ATOM 382 OD2 ASP A 28 9.080 5.909 9.354 1.00 72.22 O ATOM 0 H ASP A 28 9.430 2.381 5.895 1.00 24.33 H new ATOM 0 HA ASP A 28 8.997 5.250 6.423 1.00 33.53 H new ATOM 0 HB2 ASP A 28 8.157 3.794 8.175 1.00 54.02 H new ATOM 0 HB3 ASP A 28 9.672 2.917 8.251 1.00 54.02 H new ATOM 387 N PRO A 29 11.428 5.740 5.847 1.00 51.41 N ATOM 388 CA PRO A 29 12.816 6.169 5.740 1.00 15.43 C ATOM 389 C PRO A 29 13.220 7.083 6.899 1.00 54.45 C ATOM 390 O PRO A 29 14.375 7.502 6.998 1.00 45.50 O ATOM 391 CB PRO A 29 12.818 6.927 4.408 1.00 21.22 C ATOM 392 CG PRO A 29 11.454 7.538 4.315 1.00 40.14 C ATOM 393 CD PRO A 29 10.521 6.652 5.113 1.00 10.34 C ATOM 0 HA PRO A 29 13.527 5.344 5.780 1.00 15.43 H new ATOM 0 HB2 PRO A 29 13.596 7.690 4.388 1.00 21.22 H new ATOM 0 HB3 PRO A 29 13.009 6.256 3.571 1.00 21.22 H new ATOM 0 HG2 PRO A 29 11.457 8.553 4.713 1.00 40.14 H new ATOM 0 HG3 PRO A 29 11.130 7.604 3.276 1.00 40.14 H new ATOM 0 HD2 PRO A 29 9.904 7.236 5.796 1.00 10.34 H new ATOM 0 HD3 PRO A 29 9.842 6.101 4.463 1.00 10.34 H new ATOM 401 N GLU A 30 12.255 7.405 7.761 1.00 44.43 N ATOM 402 CA GLU A 30 12.500 8.281 8.901 1.00 63.13 C ATOM 403 C GLU A 30 13.393 7.589 9.930 1.00 71.31 C ATOM 404 O GLU A 30 14.467 8.087 10.278 1.00 21.40 O ATOM 405 CB GLU A 30 11.171 8.708 9.542 1.00 42.54 C ATOM 406 CG GLU A 30 11.323 9.781 10.618 1.00 43.30 C ATOM 407 CD GLU A 30 12.014 11.032 10.093 1.00 43.41 C ATOM 408 OE1 GLU A 30 11.350 11.844 9.415 1.00 61.35 O ATOM 409 OE2 GLU A 30 13.225 11.206 10.350 1.00 71.21 O ATOM 0 H GLU A 30 11.294 7.070 7.689 1.00 44.43 H new ATOM 0 HA GLU A 30 13.016 9.173 8.546 1.00 63.13 H new ATOM 0 HB2 GLU A 30 10.505 9.080 8.763 1.00 42.54 H new ATOM 0 HB3 GLU A 30 10.692 7.833 9.980 1.00 42.54 H new ATOM 0 HG2 GLU A 30 10.339 10.047 11.004 1.00 43.30 H new ATOM 0 HG3 GLU A 30 11.895 9.376 11.453 1.00 43.30 H new ATOM 416 N LEU A 31 12.940 6.438 10.411 1.00 73.01 N ATOM 417 CA LEU A 31 13.714 5.636 11.357 1.00 24.33 C ATOM 418 C LEU A 31 14.309 4.420 10.647 1.00 12.13 C ATOM 419 O LEU A 31 15.246 3.790 11.144 1.00 45.51 O ATOM 420 CB LEU A 31 12.833 5.196 12.537 1.00 22.23 C ATOM 421 CG LEU A 31 12.172 6.337 13.331 1.00 44.11 C ATOM 422 CD1 LEU A 31 11.293 5.780 14.448 1.00 1.44 C ATOM 423 CD2 LEU A 31 13.225 7.290 13.898 1.00 72.14 C ATOM 0 H LEU A 31 12.037 6.036 10.162 1.00 73.01 H new ATOM 0 HA LEU A 31 14.529 6.245 11.750 1.00 24.33 H new ATOM 0 HB2 LEU A 31 12.050 4.539 12.158 1.00 22.23 H new ATOM 0 HB3 LEU A 31 13.441 4.605 13.222 1.00 22.23 H new ATOM 0 HG LEU A 31 11.539 6.901 12.646 1.00 44.11 H new ATOM 0 HD11 LEU A 31 10.836 6.604 14.996 1.00 1.44 H new ATOM 0 HD12 LEU A 31 10.512 5.153 14.018 1.00 1.44 H new ATOM 0 HD13 LEU A 31 11.903 5.185 15.128 1.00 1.44 H new ATOM 0 HD21 LEU A 31 12.732 8.087 14.455 1.00 72.14 H new ATOM 0 HD22 LEU A 31 13.892 6.741 14.563 1.00 72.14 H new ATOM 0 HD23 LEU A 31 13.803 7.722 13.081 1.00 72.14 H new ATOM 435 N GLY A 32 13.757 4.106 9.478 1.00 3.45 N ATOM 436 CA GLY A 32 14.283 3.030 8.654 1.00 1.33 C ATOM 437 C GLY A 32 13.565 1.711 8.872 1.00 21.04 C ATOM 438 O GLY A 32 14.200 0.682 9.119 1.00 22.32 O ATOM 0 H GLY A 32 12.946 4.583 9.083 1.00 3.45 H new ATOM 0 HA2 GLY A 32 14.203 3.312 7.604 1.00 1.33 H new ATOM 0 HA3 GLY A 32 15.344 2.900 8.869 1.00 1.33 H new ATOM 442 N ILE A 33 12.239 1.733 8.763 1.00 62.53 N ATOM 443 CA ILE A 33 11.436 0.515 8.897 1.00 5.31 C ATOM 444 C ILE A 33 10.856 0.125 7.544 1.00 72.30 C ATOM 445 O ILE A 33 10.447 0.979 6.757 1.00 14.32 O ATOM 446 CB ILE A 33 10.265 0.655 9.914 1.00 5.51 C ATOM 447 CG1 ILE A 33 10.779 0.873 11.349 1.00 3.13 C ATOM 448 CG2 ILE A 33 9.341 -0.565 9.869 1.00 30.30 C ATOM 449 CD1 ILE A 33 11.415 2.222 11.580 1.00 12.13 C ATOM 0 H ILE A 33 11.696 2.578 8.583 1.00 62.53 H new ATOM 0 HA ILE A 33 12.111 -0.253 9.274 1.00 5.31 H new ATOM 0 HB ILE A 33 9.695 1.536 9.619 1.00 5.51 H new ATOM 0 HG12 ILE A 33 9.947 0.752 12.043 1.00 3.13 H new ATOM 0 HG13 ILE A 33 11.506 0.096 11.585 1.00 3.13 H new ATOM 0 HG21 ILE A 33 8.534 -0.437 10.590 1.00 30.30 H new ATOM 0 HG22 ILE A 33 8.921 -0.667 8.868 1.00 30.30 H new ATOM 0 HG23 ILE A 33 9.910 -1.461 10.116 1.00 30.30 H new ATOM 0 HD11 ILE A 33 11.750 2.294 12.615 1.00 12.13 H new ATOM 0 HD12 ILE A 33 12.269 2.341 10.913 1.00 12.13 H new ATOM 0 HD13 ILE A 33 10.686 3.007 11.379 1.00 12.13 H new ATOM 461 N ASN A 34 10.804 -1.173 7.301 1.00 72.22 N ATOM 462 CA ASN A 34 10.269 -1.717 6.059 1.00 44.51 C ATOM 463 C ASN A 34 9.085 -2.626 6.374 1.00 41.40 C ATOM 464 O ASN A 34 9.235 -3.677 6.993 1.00 23.25 O ATOM 465 CB ASN A 34 11.363 -2.458 5.263 1.00 20.11 C ATOM 466 CG ASN A 34 12.030 -3.589 6.035 1.00 65.15 C ATOM 467 OD1 ASN A 34 11.630 -4.745 5.932 1.00 13.24 O ATOM 468 ND2 ASN A 34 13.057 -3.262 6.809 1.00 31.11 N ATOM 0 H ASN A 34 11.131 -1.882 7.957 1.00 72.22 H new ATOM 0 HA ASN A 34 9.920 -0.900 5.428 1.00 44.51 H new ATOM 0 HB2 ASN A 34 10.924 -2.863 4.352 1.00 20.11 H new ATOM 0 HB3 ASN A 34 12.125 -1.741 4.958 1.00 20.11 H new ATOM 0 HD21 ASN A 34 13.542 -3.982 7.344 1.00 31.11 H new ATOM 0 HD22 ASN A 34 13.361 -2.290 6.869 1.00 31.11 H new ATOM 475 N VAL A 35 7.899 -2.188 5.959 1.00 3.32 N ATOM 476 CA VAL A 35 6.647 -2.861 6.302 1.00 33.43 C ATOM 477 C VAL A 35 6.659 -4.338 5.901 1.00 44.45 C ATOM 478 O VAL A 35 6.030 -5.175 6.555 1.00 11.10 O ATOM 479 CB VAL A 35 5.436 -2.150 5.645 1.00 54.24 C ATOM 480 CG1 VAL A 35 5.309 -0.716 6.166 1.00 1.35 C ATOM 481 CG2 VAL A 35 5.554 -2.159 4.118 1.00 33.24 C ATOM 0 H VAL A 35 7.778 -1.359 5.377 1.00 3.32 H new ATOM 0 HA VAL A 35 6.549 -2.807 7.386 1.00 33.43 H new ATOM 0 HB VAL A 35 4.534 -2.699 5.916 1.00 54.24 H new ATOM 0 HG11 VAL A 35 4.454 -0.232 5.694 1.00 1.35 H new ATOM 0 HG12 VAL A 35 5.166 -0.733 7.246 1.00 1.35 H new ATOM 0 HG13 VAL A 35 6.217 -0.161 5.929 1.00 1.35 H new ATOM 0 HG21 VAL A 35 4.691 -1.654 3.683 1.00 33.24 H new ATOM 0 HG22 VAL A 35 6.466 -1.641 3.820 1.00 33.24 H new ATOM 0 HG23 VAL A 35 5.589 -3.189 3.762 1.00 33.24 H new ATOM 491 N VAL A 36 7.396 -4.655 4.842 1.00 72.25 N ATOM 492 CA VAL A 36 7.477 -6.023 4.338 1.00 20.51 C ATOM 493 C VAL A 36 7.960 -6.990 5.423 1.00 61.24 C ATOM 494 O VAL A 36 7.544 -8.149 5.459 1.00 74.23 O ATOM 495 CB VAL A 36 8.405 -6.120 3.098 1.00 33.03 C ATOM 496 CG1 VAL A 36 7.838 -5.305 1.935 1.00 63.45 C ATOM 497 CG2 VAL A 36 9.823 -5.662 3.439 1.00 34.32 C ATOM 0 H VAL A 36 7.949 -3.980 4.313 1.00 72.25 H new ATOM 0 HA VAL A 36 6.469 -6.309 4.039 1.00 20.51 H new ATOM 0 HB VAL A 36 8.453 -7.165 2.793 1.00 33.03 H new ATOM 0 HG11 VAL A 36 8.503 -5.386 1.075 1.00 63.45 H new ATOM 0 HG12 VAL A 36 6.853 -5.688 1.669 1.00 63.45 H new ATOM 0 HG13 VAL A 36 7.753 -4.259 2.231 1.00 63.45 H new ATOM 0 HG21 VAL A 36 10.453 -5.740 2.553 1.00 34.32 H new ATOM 0 HG22 VAL A 36 9.799 -4.626 3.778 1.00 34.32 H new ATOM 0 HG23 VAL A 36 10.229 -6.293 4.230 1.00 34.32 H new ATOM 507 N ASP A 37 8.802 -6.494 6.328 1.00 54.22 N ATOM 508 CA ASP A 37 9.391 -7.325 7.380 1.00 32.11 C ATOM 509 C ASP A 37 8.332 -7.797 8.374 1.00 25.21 C ATOM 510 O ASP A 37 8.539 -8.771 9.095 1.00 52.22 O ATOM 511 CB ASP A 37 10.501 -6.562 8.115 1.00 65.35 C ATOM 512 CG ASP A 37 11.266 -7.441 9.095 1.00 24.20 C ATOM 513 OD1 ASP A 37 11.890 -8.430 8.649 1.00 32.23 O ATOM 514 OD2 ASP A 37 11.269 -7.141 10.307 1.00 33.15 O ATOM 0 H ASP A 37 9.093 -5.517 6.355 1.00 54.22 H new ATOM 0 HA ASP A 37 9.824 -8.204 6.902 1.00 32.11 H new ATOM 0 HB2 ASP A 37 11.196 -6.148 7.385 1.00 65.35 H new ATOM 0 HB3 ASP A 37 10.064 -5.720 8.652 1.00 65.35 H new ATOM 519 N LEU A 38 7.191 -7.108 8.405 1.00 72.14 N ATOM 520 CA LEU A 38 6.089 -7.499 9.285 1.00 62.24 C ATOM 521 C LEU A 38 5.415 -8.765 8.749 1.00 71.24 C ATOM 522 O LEU A 38 4.696 -9.457 9.471 1.00 14.45 O ATOM 523 CB LEU A 38 5.062 -6.355 9.432 1.00 3.20 C ATOM 524 CG LEU A 38 5.496 -5.168 10.319 1.00 12.15 C ATOM 525 CD1 LEU A 38 5.793 -5.634 11.740 1.00 74.05 C ATOM 526 CD2 LEU A 38 6.702 -4.443 9.725 1.00 61.24 C ATOM 0 H LEU A 38 7.006 -6.282 7.835 1.00 72.14 H new ATOM 0 HA LEU A 38 6.496 -7.708 10.274 1.00 62.24 H new ATOM 0 HB2 LEU A 38 4.827 -5.974 8.438 1.00 3.20 H new ATOM 0 HB3 LEU A 38 4.141 -6.770 9.840 1.00 3.20 H new ATOM 0 HG LEU A 38 4.667 -4.461 10.356 1.00 12.15 H new ATOM 0 HD11 LEU A 38 6.097 -4.781 12.347 1.00 74.05 H new ATOM 0 HD12 LEU A 38 4.898 -6.085 12.170 1.00 74.05 H new ATOM 0 HD13 LEU A 38 6.597 -6.370 11.721 1.00 74.05 H new ATOM 0 HD21 LEU A 38 6.983 -3.613 10.373 1.00 61.24 H new ATOM 0 HD22 LEU A 38 7.539 -5.137 9.641 1.00 61.24 H new ATOM 0 HD23 LEU A 38 6.447 -4.061 8.736 1.00 61.24 H new ATOM 538 N GLY A 39 5.670 -9.056 7.473 1.00 11.44 N ATOM 539 CA GLY A 39 5.139 -10.249 6.835 1.00 31.22 C ATOM 540 C GLY A 39 3.622 -10.269 6.763 1.00 65.00 C ATOM 541 O GLY A 39 3.017 -11.334 6.651 1.00 12.41 O ATOM 0 H GLY A 39 6.245 -8.475 6.863 1.00 11.44 H new ATOM 0 HA2 GLY A 39 5.544 -10.324 5.826 1.00 31.22 H new ATOM 0 HA3 GLY A 39 5.481 -11.128 7.382 1.00 31.22 H new ATOM 545 N LEU A 40 3.003 -9.092 6.826 1.00 43.12 N ATOM 546 CA LEU A 40 1.557 -8.972 6.633 1.00 51.24 C ATOM 547 C LEU A 40 1.255 -8.552 5.198 1.00 41.12 C ATOM 548 O LEU A 40 0.156 -8.770 4.689 1.00 42.44 O ATOM 549 CB LEU A 40 0.948 -7.964 7.617 1.00 72.34 C ATOM 550 CG LEU A 40 -0.579 -7.795 7.510 1.00 13.12 C ATOM 551 CD1 LEU A 40 -1.301 -9.113 7.793 1.00 64.34 C ATOM 552 CD2 LEU A 40 -1.070 -6.696 8.447 1.00 32.44 C ATOM 0 H LEU A 40 3.478 -8.208 7.009 1.00 43.12 H new ATOM 0 HA LEU A 40 1.107 -9.946 6.825 1.00 51.24 H new ATOM 0 HB2 LEU A 40 1.194 -8.275 8.632 1.00 72.34 H new ATOM 0 HB3 LEU A 40 1.418 -6.994 7.458 1.00 72.34 H new ATOM 0 HG LEU A 40 -0.812 -7.499 6.487 1.00 13.12 H new ATOM 0 HD11 LEU A 40 -2.377 -8.963 7.710 1.00 64.34 H new ATOM 0 HD12 LEU A 40 -0.983 -9.865 7.071 1.00 64.34 H new ATOM 0 HD13 LEU A 40 -1.058 -9.452 8.800 1.00 64.34 H new ATOM 0 HD21 LEU A 40 -2.151 -6.595 8.354 1.00 32.44 H new ATOM 0 HD22 LEU A 40 -0.817 -6.954 9.475 1.00 32.44 H new ATOM 0 HD23 LEU A 40 -0.593 -5.752 8.182 1.00 32.44 H new ATOM 564 N VAL A 41 2.264 -7.980 4.538 1.00 71.43 N ATOM 565 CA VAL A 41 2.121 -7.445 3.180 1.00 62.23 C ATOM 566 C VAL A 41 1.680 -8.535 2.191 1.00 40.44 C ATOM 567 O VAL A 41 1.291 -8.245 1.063 1.00 13.54 O ATOM 568 CB VAL A 41 3.445 -6.790 2.704 1.00 31.42 C ATOM 569 CG1 VAL A 41 3.284 -6.132 1.333 1.00 2.44 C ATOM 570 CG2 VAL A 41 3.934 -5.772 3.736 1.00 53.34 C ATOM 0 H VAL A 41 3.201 -7.874 4.927 1.00 71.43 H new ATOM 0 HA VAL A 41 1.344 -6.681 3.209 1.00 62.23 H new ATOM 0 HB VAL A 41 4.192 -7.578 2.605 1.00 31.42 H new ATOM 0 HG11 VAL A 41 4.231 -5.684 1.031 1.00 2.44 H new ATOM 0 HG12 VAL A 41 2.989 -6.884 0.601 1.00 2.44 H new ATOM 0 HG13 VAL A 41 2.518 -5.359 1.388 1.00 2.44 H new ATOM 0 HG21 VAL A 41 4.863 -5.320 3.389 1.00 53.34 H new ATOM 0 HG22 VAL A 41 3.180 -4.996 3.867 1.00 53.34 H new ATOM 0 HG23 VAL A 41 4.107 -6.274 4.688 1.00 53.34 H new ATOM 580 N TYR A 42 1.690 -9.790 2.641 1.00 3.44 N ATOM 581 CA TYR A 42 1.267 -10.909 1.804 1.00 15.40 C ATOM 582 C TYR A 42 -0.243 -10.853 1.581 1.00 31.13 C ATOM 583 O TYR A 42 -0.797 -11.614 0.785 1.00 10.41 O ATOM 584 CB TYR A 42 1.674 -12.249 2.440 1.00 0.51 C ATOM 585 CG TYR A 42 3.176 -12.482 2.462 1.00 13.25 C ATOM 586 CD1 TYR A 42 3.948 -12.118 3.562 1.00 71.24 C ATOM 587 CD2 TYR A 42 3.820 -13.066 1.374 1.00 65.03 C ATOM 588 CE1 TYR A 42 5.315 -12.334 3.575 1.00 53.51 C ATOM 589 CE2 TYR A 42 5.184 -13.283 1.384 1.00 65.33 C ATOM 590 CZ TYR A 42 5.926 -12.915 2.485 1.00 1.40 C ATOM 591 OH TYR A 42 7.287 -13.132 2.496 1.00 52.44 O ATOM 0 H TYR A 42 1.987 -10.055 3.580 1.00 3.44 H new ATOM 0 HA TYR A 42 1.766 -10.831 0.838 1.00 15.40 H new ATOM 0 HB2 TYR A 42 1.294 -12.287 3.461 1.00 0.51 H new ATOM 0 HB3 TYR A 42 1.197 -13.061 1.892 1.00 0.51 H new ATOM 0 HD1 TYR A 42 3.473 -11.661 4.417 1.00 71.24 H new ATOM 0 HD2 TYR A 42 3.243 -13.354 0.508 1.00 65.03 H new ATOM 0 HE1 TYR A 42 5.901 -12.048 4.436 1.00 53.51 H new ATOM 0 HE2 TYR A 42 5.667 -13.739 0.532 1.00 65.33 H new ATOM 0 HH TYR A 42 7.558 -13.550 1.652 1.00 52.44 H new ATOM 601 N GLY A 43 -0.894 -9.927 2.286 1.00 31.44 N ATOM 602 CA GLY A 43 -2.314 -9.694 2.115 1.00 34.41 C ATOM 603 C GLY A 43 -2.611 -8.809 0.919 1.00 42.12 C ATOM 604 O GLY A 43 -3.676 -8.196 0.845 1.00 13.11 O ATOM 0 H GLY A 43 -0.451 -9.328 2.982 1.00 31.44 H new ATOM 0 HA2 GLY A 43 -2.825 -10.649 1.993 1.00 34.41 H new ATOM 0 HA3 GLY A 43 -2.715 -9.230 3.016 1.00 34.41 H new ATOM 608 N LEU A 44 -1.648 -8.700 0.000 1.00 61.24 N ATOM 609 CA LEU A 44 -1.886 -8.037 -1.275 1.00 45.32 C ATOM 610 C LEU A 44 -2.396 -9.066 -2.281 1.00 4.44 C ATOM 611 O LEU A 44 -1.820 -10.148 -2.424 1.00 60.52 O ATOM 612 CB LEU A 44 -0.615 -7.309 -1.781 1.00 70.42 C ATOM 613 CG LEU A 44 0.634 -8.177 -2.081 1.00 0.32 C ATOM 614 CD1 LEU A 44 0.592 -8.761 -3.495 1.00 15.35 C ATOM 615 CD2 LEU A 44 1.911 -7.362 -1.883 1.00 62.05 C ATOM 0 H LEU A 44 -0.702 -9.062 0.118 1.00 61.24 H new ATOM 0 HA LEU A 44 -2.646 -7.266 -1.146 1.00 45.32 H new ATOM 0 HB2 LEU A 44 -0.876 -6.769 -2.691 1.00 70.42 H new ATOM 0 HB3 LEU A 44 -0.336 -6.563 -1.037 1.00 70.42 H new ATOM 0 HG LEU A 44 0.631 -9.010 -1.378 1.00 0.32 H new ATOM 0 HD11 LEU A 44 1.484 -9.363 -3.667 1.00 15.35 H new ATOM 0 HD12 LEU A 44 -0.294 -9.386 -3.604 1.00 15.35 H new ATOM 0 HD13 LEU A 44 0.556 -7.950 -4.223 1.00 15.35 H new ATOM 0 HD21 LEU A 44 2.778 -7.987 -2.098 1.00 62.05 H new ATOM 0 HD22 LEU A 44 1.904 -6.506 -2.558 1.00 62.05 H new ATOM 0 HD23 LEU A 44 1.963 -7.011 -0.852 1.00 62.05 H new ATOM 627 N ASP A 45 -3.494 -8.742 -2.946 1.00 61.51 N ATOM 628 CA ASP A 45 -4.125 -9.653 -3.894 1.00 44.32 C ATOM 629 C ASP A 45 -5.058 -8.874 -4.814 1.00 71.25 C ATOM 630 O ASP A 45 -6.063 -8.320 -4.368 1.00 43.13 O ATOM 631 CB ASP A 45 -4.899 -10.747 -3.139 1.00 20.12 C ATOM 632 CG ASP A 45 -5.575 -11.741 -4.069 1.00 72.32 C ATOM 633 OD1 ASP A 45 -4.864 -12.465 -4.798 1.00 33.43 O ATOM 634 OD2 ASP A 45 -6.822 -11.824 -4.062 1.00 61.43 O ATOM 0 H ASP A 45 -3.972 -7.846 -2.846 1.00 61.51 H new ATOM 0 HA ASP A 45 -3.356 -10.132 -4.500 1.00 44.32 H new ATOM 0 HB2 ASP A 45 -4.214 -11.281 -2.480 1.00 20.12 H new ATOM 0 HB3 ASP A 45 -5.652 -10.280 -2.505 1.00 20.12 H new ATOM 639 N VAL A 46 -4.710 -8.812 -6.091 1.00 62.40 N ATOM 640 CA VAL A 46 -5.474 -8.033 -7.057 1.00 60.02 C ATOM 641 C VAL A 46 -6.522 -8.903 -7.747 1.00 62.01 C ATOM 642 O VAL A 46 -6.195 -9.875 -8.429 1.00 14.44 O ATOM 643 CB VAL A 46 -4.548 -7.361 -8.108 1.00 71.51 C ATOM 644 CG1 VAL A 46 -3.627 -8.381 -8.770 1.00 4.14 C ATOM 645 CG2 VAL A 46 -5.367 -6.601 -9.154 1.00 34.24 C ATOM 0 H VAL A 46 -3.901 -9.293 -6.484 1.00 62.40 H new ATOM 0 HA VAL A 46 -5.985 -7.242 -6.509 1.00 60.02 H new ATOM 0 HB VAL A 46 -3.920 -6.641 -7.583 1.00 71.51 H new ATOM 0 HG11 VAL A 46 -2.992 -7.878 -9.500 1.00 4.14 H new ATOM 0 HG12 VAL A 46 -3.003 -8.854 -8.012 1.00 4.14 H new ATOM 0 HG13 VAL A 46 -4.226 -9.140 -9.272 1.00 4.14 H new ATOM 0 HG21 VAL A 46 -4.695 -6.140 -9.878 1.00 34.24 H new ATOM 0 HG22 VAL A 46 -6.034 -7.294 -9.668 1.00 34.24 H new ATOM 0 HG23 VAL A 46 -5.957 -5.827 -8.662 1.00 34.24 H new ATOM 655 N GLN A 47 -7.785 -8.557 -7.541 1.00 35.14 N ATOM 656 CA GLN A 47 -8.902 -9.273 -8.139 1.00 33.02 C ATOM 657 C GLN A 47 -9.598 -8.377 -9.156 1.00 70.35 C ATOM 658 O GLN A 47 -9.947 -7.233 -8.851 1.00 53.21 O ATOM 659 CB GLN A 47 -9.883 -9.723 -7.049 1.00 14.21 C ATOM 660 CG GLN A 47 -9.253 -10.657 -6.019 1.00 74.21 C ATOM 661 CD GLN A 47 -10.206 -11.054 -4.906 1.00 74.23 C ATOM 662 OE1 GLN A 47 -11.424 -11.119 -5.097 1.00 4.10 O ATOM 663 NE2 GLN A 47 -9.657 -11.339 -3.737 1.00 33.15 N ATOM 0 H GLN A 47 -8.064 -7.771 -6.954 1.00 35.14 H new ATOM 0 HA GLN A 47 -8.531 -10.161 -8.651 1.00 33.02 H new ATOM 0 HB2 GLN A 47 -10.277 -8.844 -6.539 1.00 14.21 H new ATOM 0 HB3 GLN A 47 -10.729 -10.227 -7.517 1.00 14.21 H new ATOM 0 HG2 GLN A 47 -8.899 -11.556 -6.523 1.00 74.21 H new ATOM 0 HG3 GLN A 47 -8.380 -10.171 -5.584 1.00 74.21 H new ATOM 0 HE21 GLN A 47 -8.646 -11.273 -3.619 1.00 33.15 H new ATOM 0 HE22 GLN A 47 -10.245 -11.624 -2.954 1.00 33.15 H new ATOM 672 N ASP A 48 -9.784 -8.886 -10.365 1.00 24.22 N ATOM 673 CA ASP A 48 -10.378 -8.099 -11.440 1.00 5.43 C ATOM 674 C ASP A 48 -11.841 -8.473 -11.634 1.00 63.00 C ATOM 675 O ASP A 48 -12.292 -9.533 -11.193 1.00 72.24 O ATOM 676 CB ASP A 48 -9.612 -8.301 -12.757 1.00 22.20 C ATOM 677 CG ASP A 48 -9.981 -9.595 -13.469 1.00 51.24 C ATOM 678 OD1 ASP A 48 -9.526 -10.675 -13.030 1.00 42.13 O ATOM 679 OD2 ASP A 48 -10.724 -9.535 -14.472 1.00 32.14 O ATOM 0 H ASP A 48 -9.533 -9.839 -10.628 1.00 24.22 H new ATOM 0 HA ASP A 48 -10.315 -7.048 -11.156 1.00 5.43 H new ATOM 0 HB2 ASP A 48 -9.812 -7.459 -13.420 1.00 22.20 H new ATOM 0 HB3 ASP A 48 -8.541 -8.298 -12.552 1.00 22.20 H new ATOM 684 N GLY A 49 -12.571 -7.585 -12.285 1.00 25.33 N ATOM 685 CA GLY A 49 -13.952 -7.836 -12.631 1.00 72.30 C ATOM 686 C GLY A 49 -14.405 -6.900 -13.726 1.00 21.34 C ATOM 687 O GLY A 49 -13.595 -6.132 -14.255 1.00 53.00 O ATOM 0 H GLY A 49 -12.222 -6.675 -12.586 1.00 25.33 H new ATOM 0 HA2 GLY A 49 -14.069 -8.869 -12.957 1.00 72.30 H new ATOM 0 HA3 GLY A 49 -14.582 -7.707 -11.751 1.00 72.30 H new ATOM 691 N ASP A 50 -15.682 -6.949 -14.074 1.00 54.33 N ATOM 692 CA ASP A 50 -16.233 -6.054 -15.089 1.00 60.43 C ATOM 693 C ASP A 50 -16.315 -4.634 -14.540 1.00 42.44 C ATOM 694 O ASP A 50 -16.091 -3.657 -15.257 1.00 1.22 O ATOM 695 CB ASP A 50 -17.621 -6.530 -15.529 1.00 11.20 C ATOM 696 CG ASP A 50 -18.261 -5.596 -16.543 1.00 75.34 C ATOM 697 OD1 ASP A 50 -17.828 -5.601 -17.716 1.00 0.15 O ATOM 698 OD2 ASP A 50 -19.206 -4.861 -16.175 1.00 70.22 O ATOM 0 H ASP A 50 -16.358 -7.597 -13.671 1.00 54.33 H new ATOM 0 HA ASP A 50 -15.574 -6.063 -15.957 1.00 60.43 H new ATOM 0 HB2 ASP A 50 -17.540 -7.528 -15.959 1.00 11.20 H new ATOM 0 HB3 ASP A 50 -18.268 -6.611 -14.655 1.00 11.20 H new ATOM 703 N GLU A 51 -16.616 -4.544 -13.248 1.00 0.42 N ATOM 704 CA GLU A 51 -16.730 -3.265 -12.554 1.00 23.41 C ATOM 705 C GLU A 51 -15.354 -2.608 -12.406 1.00 30.35 C ATOM 706 O GLU A 51 -15.249 -1.401 -12.171 1.00 53.23 O ATOM 707 CB GLU A 51 -17.392 -3.483 -11.181 1.00 4.40 C ATOM 708 CG GLU A 51 -17.733 -2.200 -10.432 1.00 65.14 C ATOM 709 CD GLU A 51 -18.569 -2.461 -9.188 1.00 42.11 C ATOM 710 OE1 GLU A 51 -18.009 -2.919 -8.171 1.00 73.24 O ATOM 711 OE2 GLU A 51 -19.797 -2.227 -9.227 1.00 31.13 O ATOM 0 H GLU A 51 -16.788 -5.355 -12.653 1.00 0.42 H new ATOM 0 HA GLU A 51 -17.355 -2.591 -13.140 1.00 23.41 H new ATOM 0 HB2 GLU A 51 -18.306 -4.061 -11.320 1.00 4.40 H new ATOM 0 HB3 GLU A 51 -16.726 -4.084 -10.562 1.00 4.40 H new ATOM 0 HG2 GLU A 51 -16.811 -1.692 -10.147 1.00 65.14 H new ATOM 0 HG3 GLU A 51 -18.275 -1.527 -11.097 1.00 65.14 H new ATOM 718 N GLY A 52 -14.300 -3.409 -12.558 1.00 53.34 N ATOM 719 CA GLY A 52 -12.944 -2.892 -12.506 1.00 53.01 C ATOM 720 C GLY A 52 -11.957 -3.903 -11.951 1.00 71.24 C ATOM 721 O GLY A 52 -12.351 -4.973 -11.489 1.00 22.14 O ATOM 0 H GLY A 52 -14.364 -4.414 -12.717 1.00 53.34 H new ATOM 0 HA2 GLY A 52 -12.632 -2.597 -13.508 1.00 53.01 H new ATOM 0 HA3 GLY A 52 -12.925 -1.994 -11.889 1.00 53.01 H new ATOM 725 N THR A 53 -10.674 -3.569 -12.015 1.00 51.44 N ATOM 726 CA THR A 53 -9.616 -4.401 -11.458 1.00 32.54 C ATOM 727 C THR A 53 -9.091 -3.764 -10.173 1.00 43.43 C ATOM 728 O THR A 53 -8.464 -2.703 -10.210 1.00 30.32 O ATOM 729 CB THR A 53 -8.463 -4.564 -12.471 1.00 63.03 C ATOM 730 OG1 THR A 53 -8.991 -5.020 -13.726 1.00 35.41 O ATOM 731 CG2 THR A 53 -7.407 -5.544 -11.963 1.00 52.14 C ATOM 0 H THR A 53 -10.338 -2.712 -12.455 1.00 51.44 H new ATOM 0 HA THR A 53 -10.023 -5.388 -11.237 1.00 32.54 H new ATOM 0 HB THR A 53 -7.982 -3.595 -12.601 1.00 63.03 H new ATOM 0 HG1 THR A 53 -8.260 -5.122 -14.371 1.00 35.41 H new ATOM 0 HG21 THR A 53 -6.610 -5.635 -12.701 1.00 52.14 H new ATOM 0 HG22 THR A 53 -6.992 -5.177 -11.024 1.00 52.14 H new ATOM 0 HG23 THR A 53 -7.864 -6.520 -11.801 1.00 52.14 H new ATOM 739 N VAL A 54 -9.362 -4.400 -9.039 1.00 34.24 N ATOM 740 CA VAL A 54 -9.035 -3.827 -7.735 1.00 21.25 C ATOM 741 C VAL A 54 -7.932 -4.628 -7.043 1.00 53.25 C ATOM 742 O VAL A 54 -7.986 -5.857 -6.992 1.00 21.34 O ATOM 743 CB VAL A 54 -10.281 -3.775 -6.813 1.00 12.43 C ATOM 744 CG1 VAL A 54 -9.944 -3.127 -5.469 1.00 41.03 C ATOM 745 CG2 VAL A 54 -11.431 -3.040 -7.503 1.00 52.22 C ATOM 0 H VAL A 54 -9.809 -5.316 -8.995 1.00 34.24 H new ATOM 0 HA VAL A 54 -8.683 -2.811 -7.913 1.00 21.25 H new ATOM 0 HB VAL A 54 -10.600 -4.798 -6.617 1.00 12.43 H new ATOM 0 HG11 VAL A 54 -10.836 -3.104 -4.843 1.00 41.03 H new ATOM 0 HG12 VAL A 54 -9.166 -3.705 -4.971 1.00 41.03 H new ATOM 0 HG13 VAL A 54 -9.590 -2.109 -5.634 1.00 41.03 H new ATOM 0 HG21 VAL A 54 -12.296 -3.014 -6.840 1.00 52.22 H new ATOM 0 HG22 VAL A 54 -11.123 -2.021 -7.738 1.00 52.22 H new ATOM 0 HG23 VAL A 54 -11.695 -3.560 -8.424 1.00 52.22 H new ATOM 755 N ALA A 55 -6.935 -3.923 -6.514 1.00 54.42 N ATOM 756 CA ALA A 55 -5.834 -4.551 -5.788 1.00 50.33 C ATOM 757 C ALA A 55 -6.081 -4.483 -4.281 1.00 51.44 C ATOM 758 O ALA A 55 -5.982 -3.409 -3.681 1.00 21.13 O ATOM 759 CB ALA A 55 -4.514 -3.872 -6.138 1.00 75.21 C ATOM 0 H ALA A 55 -6.867 -2.907 -6.576 1.00 54.42 H new ATOM 0 HA ALA A 55 -5.777 -5.599 -6.083 1.00 50.33 H new ATOM 0 HB1 ALA A 55 -3.702 -4.350 -5.590 1.00 75.21 H new ATOM 0 HB2 ALA A 55 -4.331 -3.962 -7.209 1.00 75.21 H new ATOM 0 HB3 ALA A 55 -4.564 -2.818 -5.866 1.00 75.21 H new ATOM 765 N LEU A 56 -6.427 -5.617 -3.682 1.00 15.44 N ATOM 766 CA LEU A 56 -6.641 -5.691 -2.237 1.00 1.11 C ATOM 767 C LEU A 56 -5.293 -5.683 -1.515 1.00 54.12 C ATOM 768 O LEU A 56 -4.335 -6.287 -1.993 1.00 31.42 O ATOM 769 CB LEU A 56 -7.414 -6.969 -1.865 1.00 73.22 C ATOM 770 CG LEU A 56 -8.710 -7.230 -2.652 1.00 34.24 C ATOM 771 CD1 LEU A 56 -9.370 -8.525 -2.185 1.00 3.42 C ATOM 772 CD2 LEU A 56 -9.679 -6.059 -2.522 1.00 33.34 C ATOM 0 H LEU A 56 -6.566 -6.500 -4.173 1.00 15.44 H new ATOM 0 HA LEU A 56 -7.228 -4.825 -1.931 1.00 1.11 H new ATOM 0 HB2 LEU A 56 -6.751 -7.823 -2.003 1.00 73.22 H new ATOM 0 HB3 LEU A 56 -7.660 -6.924 -0.804 1.00 73.22 H new ATOM 0 HG LEU A 56 -8.447 -7.334 -3.705 1.00 34.24 H new ATOM 0 HD11 LEU A 56 -10.285 -8.692 -2.753 1.00 3.42 H new ATOM 0 HD12 LEU A 56 -8.687 -9.359 -2.343 1.00 3.42 H new ATOM 0 HD13 LEU A 56 -9.610 -8.449 -1.125 1.00 3.42 H new ATOM 0 HD21 LEU A 56 -10.585 -6.272 -3.089 1.00 33.34 H new ATOM 0 HD22 LEU A 56 -9.933 -5.912 -1.472 1.00 33.34 H new ATOM 0 HD23 LEU A 56 -9.212 -5.155 -2.912 1.00 33.34 H new ATOM 784 N ILE A 57 -5.214 -4.986 -0.382 1.00 20.34 N ATOM 785 CA ILE A 57 -3.989 -4.925 0.417 1.00 13.31 C ATOM 786 C ILE A 57 -4.333 -4.877 1.905 1.00 61.52 C ATOM 787 O ILE A 57 -4.929 -3.910 2.379 1.00 33.43 O ATOM 788 CB ILE A 57 -3.122 -3.682 0.066 1.00 64.22 C ATOM 789 CG1 ILE A 57 -2.742 -3.676 -1.426 1.00 74.45 C ATOM 790 CG2 ILE A 57 -1.864 -3.642 0.937 1.00 22.31 C ATOM 791 CD1 ILE A 57 -1.902 -2.486 -1.839 1.00 4.31 C ATOM 0 H ILE A 57 -5.991 -4.451 0.006 1.00 20.34 H new ATOM 0 HA ILE A 57 -3.415 -5.822 0.187 1.00 13.31 H new ATOM 0 HB ILE A 57 -3.715 -2.790 0.268 1.00 64.22 H new ATOM 0 HG12 ILE A 57 -2.196 -4.591 -1.656 1.00 74.45 H new ATOM 0 HG13 ILE A 57 -3.654 -3.690 -2.023 1.00 74.45 H new ATOM 0 HG21 ILE A 57 -1.270 -2.766 0.678 1.00 22.31 H new ATOM 0 HG22 ILE A 57 -2.150 -3.588 1.987 1.00 22.31 H new ATOM 0 HG23 ILE A 57 -1.275 -4.543 0.767 1.00 22.31 H new ATOM 0 HD11 ILE A 57 -1.675 -2.553 -2.903 1.00 4.31 H new ATOM 0 HD12 ILE A 57 -2.453 -1.566 -1.642 1.00 4.31 H new ATOM 0 HD13 ILE A 57 -0.973 -2.481 -1.269 1.00 4.31 H new ATOM 803 N ASP A 58 -3.979 -5.929 2.632 1.00 25.13 N ATOM 804 CA ASP A 58 -4.206 -5.983 4.080 1.00 53.33 C ATOM 805 C ASP A 58 -3.036 -5.347 4.828 1.00 74.11 C ATOM 806 O ASP A 58 -1.877 -5.693 4.582 1.00 53.34 O ATOM 807 CB ASP A 58 -4.409 -7.434 4.536 1.00 40.54 C ATOM 808 CG ASP A 58 -5.694 -8.031 3.982 1.00 1.34 C ATOM 809 OD1 ASP A 58 -5.623 -8.883 3.074 1.00 71.33 O ATOM 810 OD2 ASP A 58 -6.789 -7.628 4.433 1.00 62.22 O ATOM 0 H ASP A 58 -3.532 -6.761 2.246 1.00 25.13 H new ATOM 0 HA ASP A 58 -5.110 -5.419 4.310 1.00 53.33 H new ATOM 0 HB2 ASP A 58 -3.560 -8.037 4.214 1.00 40.54 H new ATOM 0 HB3 ASP A 58 -4.432 -7.472 5.625 1.00 40.54 H new ATOM 815 N MET A 59 -3.335 -4.413 5.739 1.00 62.14 N ATOM 816 CA MET A 59 -2.294 -3.645 6.429 1.00 25.43 C ATOM 817 C MET A 59 -2.609 -3.403 7.913 1.00 24.25 C ATOM 818 O MET A 59 -3.722 -3.679 8.413 1.00 32.41 O ATOM 819 CB MET A 59 -2.063 -2.291 5.728 1.00 50.23 C ATOM 820 CG MET A 59 -1.451 -2.401 4.336 1.00 33.41 C ATOM 821 SD MET A 59 -1.094 -0.791 3.597 1.00 61.55 S ATOM 822 CE MET A 59 0.118 -0.130 4.745 1.00 63.03 C ATOM 0 H MET A 59 -4.287 -4.172 6.014 1.00 62.14 H new ATOM 0 HA MET A 59 -1.389 -4.250 6.381 1.00 25.43 H new ATOM 0 HB2 MET A 59 -3.016 -1.767 5.653 1.00 50.23 H new ATOM 0 HB3 MET A 59 -1.411 -1.679 6.351 1.00 50.23 H new ATOM 0 HG2 MET A 59 -0.530 -2.981 4.394 1.00 33.41 H new ATOM 0 HG3 MET A 59 -2.133 -2.950 3.687 1.00 33.41 H new ATOM 0 HE1 MET A 59 0.684 0.665 4.259 1.00 63.03 H new ATOM 0 HE2 MET A 59 -0.392 0.271 5.621 1.00 63.03 H new ATOM 0 HE3 MET A 59 0.799 -0.924 5.052 1.00 63.03 H new ATOM 832 N THR A 60 -1.583 -2.884 8.593 1.00 33.30 N ATOM 833 CA THR A 60 -1.624 -2.518 10.003 1.00 61.24 C ATOM 834 C THR A 60 -0.673 -1.346 10.243 1.00 72.52 C ATOM 835 O THR A 60 0.067 -0.946 9.341 1.00 21.54 O ATOM 836 CB THR A 60 -1.154 -3.687 10.903 1.00 14.01 C ATOM 837 OG1 THR A 60 0.076 -4.225 10.394 1.00 33.13 O ATOM 838 CG2 THR A 60 -2.191 -4.783 10.990 1.00 52.32 C ATOM 0 H THR A 60 -0.677 -2.703 8.161 1.00 33.30 H new ATOM 0 HA THR A 60 -2.654 -2.260 10.250 1.00 61.24 H new ATOM 0 HB THR A 60 -1.002 -3.292 11.908 1.00 14.01 H new ATOM 0 HG1 THR A 60 0.372 -4.963 10.966 1.00 33.13 H new ATOM 0 HG21 THR A 60 -1.821 -5.584 11.631 1.00 52.32 H new ATOM 0 HG22 THR A 60 -3.113 -4.379 11.409 1.00 52.32 H new ATOM 0 HG23 THR A 60 -2.388 -5.178 9.993 1.00 52.32 H new ATOM 846 N LEU A 61 -0.702 -0.792 11.450 1.00 61.15 N ATOM 847 CA LEU A 61 0.367 0.090 11.917 1.00 11.52 C ATOM 848 C LEU A 61 1.051 -0.595 13.097 1.00 5.04 C ATOM 849 O LEU A 61 0.386 -1.273 13.885 1.00 52.53 O ATOM 850 CB LEU A 61 -0.161 1.477 12.348 1.00 24.41 C ATOM 851 CG LEU A 61 -0.824 2.342 11.253 1.00 63.33 C ATOM 852 CD1 LEU A 61 0.013 2.367 9.972 1.00 41.43 C ATOM 853 CD2 LEU A 61 -2.252 1.876 10.971 1.00 14.05 C ATOM 0 H LEU A 61 -1.453 -0.937 12.125 1.00 61.15 H new ATOM 0 HA LEU A 61 1.065 0.263 11.098 1.00 11.52 H new ATOM 0 HB2 LEU A 61 -0.885 1.331 13.150 1.00 24.41 H new ATOM 0 HB3 LEU A 61 0.671 2.041 12.769 1.00 24.41 H new ATOM 0 HG LEU A 61 -0.874 3.364 11.630 1.00 63.33 H new ATOM 0 HD11 LEU A 61 -0.484 2.985 9.224 1.00 41.43 H new ATOM 0 HD12 LEU A 61 0.998 2.782 10.189 1.00 41.43 H new ATOM 0 HD13 LEU A 61 0.123 1.352 9.589 1.00 41.43 H new ATOM 0 HD21 LEU A 61 -2.693 2.503 10.196 1.00 14.05 H new ATOM 0 HD22 LEU A 61 -2.237 0.840 10.634 1.00 14.05 H new ATOM 0 HD23 LEU A 61 -2.846 1.952 11.882 1.00 14.05 H new ATOM 865 N THR A 62 2.359 -0.411 13.229 1.00 12.25 N ATOM 866 CA THR A 62 3.128 -1.062 14.288 1.00 60.24 C ATOM 867 C THR A 62 2.606 -0.663 15.670 1.00 15.32 C ATOM 868 O THR A 62 2.358 -1.514 16.531 1.00 5.45 O ATOM 869 CB THR A 62 4.621 -0.690 14.168 1.00 73.42 C ATOM 870 OG1 THR A 62 4.746 0.728 13.988 1.00 31.24 O ATOM 871 CG2 THR A 62 5.281 -1.419 12.999 1.00 74.13 C ATOM 0 H THR A 62 2.913 0.186 12.615 1.00 12.25 H new ATOM 0 HA THR A 62 3.014 -2.140 14.173 1.00 60.24 H new ATOM 0 HB THR A 62 5.126 -0.994 15.085 1.00 73.42 H new ATOM 0 HG1 THR A 62 5.694 0.966 13.913 1.00 31.24 H new ATOM 0 HG21 THR A 62 6.332 -1.136 12.941 1.00 74.13 H new ATOM 0 HG22 THR A 62 5.203 -2.496 13.151 1.00 74.13 H new ATOM 0 HG23 THR A 62 4.780 -1.146 12.070 1.00 74.13 H new ATOM 879 N SER A 63 2.427 0.640 15.857 1.00 73.13 N ATOM 880 CA SER A 63 1.918 1.191 17.108 1.00 75.32 C ATOM 881 C SER A 63 0.461 0.806 17.331 1.00 54.20 C ATOM 882 O SER A 63 0.038 0.526 18.453 1.00 1.43 O ATOM 883 CB SER A 63 2.068 2.723 17.087 1.00 44.33 C ATOM 884 OG SER A 63 1.304 3.342 18.109 1.00 73.14 O ATOM 0 H SER A 63 2.630 1.343 15.147 1.00 73.13 H new ATOM 0 HA SER A 63 2.498 0.776 17.932 1.00 75.32 H new ATOM 0 HB2 SER A 63 3.119 2.987 17.208 1.00 44.33 H new ATOM 0 HB3 SER A 63 1.753 3.106 16.116 1.00 44.33 H new ATOM 0 HG SER A 63 1.870 3.969 18.607 1.00 73.14 H new ATOM 890 N ALA A 64 -0.294 0.810 16.243 1.00 20.33 N ATOM 891 CA ALA A 64 -1.744 0.601 16.275 1.00 14.44 C ATOM 892 C ALA A 64 -2.449 1.696 17.088 1.00 43.45 C ATOM 893 O ALA A 64 -3.653 1.623 17.336 1.00 51.24 O ATOM 894 CB ALA A 64 -2.077 -0.788 16.822 1.00 70.21 C ATOM 0 H ALA A 64 0.079 0.959 15.305 1.00 20.33 H new ATOM 0 HA ALA A 64 -2.114 0.663 15.251 1.00 14.44 H new ATOM 0 HB1 ALA A 64 -3.158 -0.923 16.838 1.00 70.21 H new ATOM 0 HB2 ALA A 64 -1.625 -1.548 16.184 1.00 70.21 H new ATOM 0 HB3 ALA A 64 -1.685 -0.884 17.834 1.00 70.21 H new ATOM 900 N ALA A 65 -1.692 2.723 17.478 1.00 54.51 N ATOM 901 CA ALA A 65 -2.246 3.888 18.159 1.00 53.24 C ATOM 902 C ALA A 65 -1.972 5.145 17.342 1.00 11.20 C ATOM 903 O ALA A 65 -2.792 6.065 17.290 1.00 11.12 O ATOM 904 CB ALA A 65 -1.655 4.023 19.559 1.00 0.23 C ATOM 0 H ALA A 65 -0.684 2.768 17.331 1.00 54.51 H new ATOM 0 HA ALA A 65 -3.324 3.758 18.256 1.00 53.24 H new ATOM 0 HB1 ALA A 65 -2.081 4.898 20.051 1.00 0.23 H new ATOM 0 HB2 ALA A 65 -1.888 3.131 20.140 1.00 0.23 H new ATOM 0 HB3 ALA A 65 -0.573 4.137 19.488 1.00 0.23 H new ATOM 910 N CYS A 66 -0.804 5.175 16.706 1.00 24.13 N ATOM 911 CA CYS A 66 -0.430 6.267 15.816 1.00 73.30 C ATOM 912 C CYS A 66 -1.173 6.134 14.479 1.00 65.15 C ATOM 913 O CYS A 66 -0.980 5.157 13.747 1.00 70.45 O ATOM 914 CB CYS A 66 1.086 6.259 15.599 1.00 75.25 C ATOM 915 SG CYS A 66 2.041 6.327 17.137 1.00 22.34 S ATOM 0 H CYS A 66 -0.095 4.447 16.793 1.00 24.13 H new ATOM 0 HA CYS A 66 -0.712 7.217 16.270 1.00 73.30 H new ATOM 0 HB2 CYS A 66 1.361 5.358 15.050 1.00 75.25 H new ATOM 0 HB3 CYS A 66 1.359 7.109 14.974 1.00 75.25 H new ATOM 0 HG CYS A 66 3.311 6.314 16.860 1.00 22.34 H new ATOM 921 N PRO A 67 -2.042 7.106 14.147 1.00 15.04 N ATOM 922 CA PRO A 67 -2.910 7.026 12.972 1.00 3.32 C ATOM 923 C PRO A 67 -2.229 7.479 11.674 1.00 53.30 C ATOM 924 O PRO A 67 -2.460 8.588 11.188 1.00 40.52 O ATOM 925 CB PRO A 67 -4.064 7.961 13.352 1.00 2.22 C ATOM 926 CG PRO A 67 -3.430 9.016 14.200 1.00 74.15 C ATOM 927 CD PRO A 67 -2.251 8.367 14.893 1.00 73.04 C ATOM 0 HA PRO A 67 -3.213 6.002 12.753 1.00 3.32 H new ATOM 0 HB2 PRO A 67 -4.533 8.392 12.467 1.00 2.22 H new ATOM 0 HB3 PRO A 67 -4.843 7.428 13.898 1.00 2.22 H new ATOM 0 HG2 PRO A 67 -3.104 9.859 13.590 1.00 74.15 H new ATOM 0 HG3 PRO A 67 -4.141 9.406 14.929 1.00 74.15 H new ATOM 0 HD2 PRO A 67 -1.367 9.003 14.855 1.00 73.04 H new ATOM 0 HD3 PRO A 67 -2.462 8.177 15.945 1.00 73.04 H new ATOM 935 N LEU A 68 -1.387 6.608 11.117 1.00 34.24 N ATOM 936 CA LEU A 68 -0.759 6.856 9.811 1.00 52.31 C ATOM 937 C LEU A 68 -1.660 6.345 8.684 1.00 12.41 C ATOM 938 O LEU A 68 -1.274 6.344 7.515 1.00 4.31 O ATOM 939 CB LEU A 68 0.625 6.180 9.717 1.00 20.53 C ATOM 940 CG LEU A 68 1.754 6.819 10.550 1.00 5.21 C ATOM 941 CD1 LEU A 68 1.919 8.296 10.200 1.00 2.45 C ATOM 942 CD2 LEU A 68 1.507 6.634 12.046 1.00 22.24 C ATOM 0 H LEU A 68 -1.121 5.722 11.547 1.00 34.24 H new ATOM 0 HA LEU A 68 -0.623 7.932 9.707 1.00 52.31 H new ATOM 0 HB2 LEU A 68 0.519 5.140 10.025 1.00 20.53 H new ATOM 0 HB3 LEU A 68 0.933 6.174 8.671 1.00 20.53 H new ATOM 0 HG LEU A 68 2.684 6.308 10.302 1.00 5.21 H new ATOM 0 HD11 LEU A 68 2.721 8.725 10.801 1.00 2.45 H new ATOM 0 HD12 LEU A 68 2.165 8.394 9.143 1.00 2.45 H new ATOM 0 HD13 LEU A 68 0.989 8.825 10.407 1.00 2.45 H new ATOM 0 HD21 LEU A 68 2.319 7.095 12.609 1.00 22.24 H new ATOM 0 HD22 LEU A 68 0.563 7.105 12.320 1.00 22.24 H new ATOM 0 HD23 LEU A 68 1.462 5.570 12.279 1.00 22.24 H new ATOM 954 N THR A 69 -2.867 5.928 9.058 1.00 4.00 N ATOM 955 CA THR A 69 -3.831 5.340 8.132 1.00 10.13 C ATOM 956 C THR A 69 -4.029 6.206 6.874 1.00 71.40 C ATOM 957 O THR A 69 -3.726 5.766 5.757 1.00 14.13 O ATOM 958 CB THR A 69 -5.183 5.075 8.864 1.00 62.54 C ATOM 959 OG1 THR A 69 -6.189 4.618 7.955 1.00 14.30 O ATOM 960 CG2 THR A 69 -5.695 6.311 9.606 1.00 73.23 C ATOM 0 H THR A 69 -3.206 5.989 10.018 1.00 4.00 H new ATOM 0 HA THR A 69 -3.429 4.387 7.789 1.00 10.13 H new ATOM 0 HB THR A 69 -4.980 4.295 9.598 1.00 62.54 H new ATOM 0 HG1 THR A 69 -5.974 3.709 7.659 1.00 14.30 H new ATOM 0 HG21 THR A 69 -6.638 6.075 10.099 1.00 73.23 H new ATOM 0 HG22 THR A 69 -4.962 6.617 10.353 1.00 73.23 H new ATOM 0 HG23 THR A 69 -5.850 7.123 8.896 1.00 73.23 H new ATOM 968 N ASP A 70 -4.480 7.446 7.064 1.00 2.23 N ATOM 969 CA ASP A 70 -4.775 8.346 5.947 1.00 45.43 C ATOM 970 C ASP A 70 -3.529 8.560 5.096 1.00 65.43 C ATOM 971 O ASP A 70 -3.603 8.651 3.870 1.00 25.13 O ATOM 972 CB ASP A 70 -5.290 9.695 6.480 1.00 74.02 C ATOM 973 CG ASP A 70 -5.532 10.728 5.380 1.00 43.52 C ATOM 974 OD1 ASP A 70 -4.582 11.457 5.022 1.00 24.45 O ATOM 975 OD2 ASP A 70 -6.676 10.833 4.887 1.00 51.32 O ATOM 0 H ASP A 70 -4.650 7.852 7.984 1.00 2.23 H new ATOM 0 HA ASP A 70 -5.547 7.892 5.326 1.00 45.43 H new ATOM 0 HB2 ASP A 70 -6.219 9.531 7.025 1.00 74.02 H new ATOM 0 HB3 ASP A 70 -4.569 10.095 7.192 1.00 74.02 H new ATOM 980 N VAL A 71 -2.380 8.605 5.763 1.00 14.22 N ATOM 981 CA VAL A 71 -1.116 8.892 5.101 1.00 62.23 C ATOM 982 C VAL A 71 -0.753 7.781 4.116 1.00 3.14 C ATOM 983 O VAL A 71 -0.554 8.038 2.924 1.00 23.30 O ATOM 984 CB VAL A 71 0.027 9.054 6.138 1.00 41.24 C ATOM 985 CG1 VAL A 71 1.335 9.462 5.460 1.00 22.22 C ATOM 986 CG2 VAL A 71 -0.363 10.060 7.221 1.00 53.01 C ATOM 0 H VAL A 71 -2.300 8.445 6.767 1.00 14.22 H new ATOM 0 HA VAL A 71 -1.237 9.827 4.555 1.00 62.23 H new ATOM 0 HB VAL A 71 0.187 8.086 6.614 1.00 41.24 H new ATOM 0 HG11 VAL A 71 2.117 9.568 6.212 1.00 22.22 H new ATOM 0 HG12 VAL A 71 1.625 8.697 4.740 1.00 22.22 H new ATOM 0 HG13 VAL A 71 1.197 10.412 4.944 1.00 22.22 H new ATOM 0 HG21 VAL A 71 0.453 10.158 7.937 1.00 53.01 H new ATOM 0 HG22 VAL A 71 -0.562 11.029 6.763 1.00 53.01 H new ATOM 0 HG23 VAL A 71 -1.258 9.711 7.736 1.00 53.01 H new ATOM 996 N ILE A 72 -0.742 6.537 4.601 1.00 43.21 N ATOM 997 CA ILE A 72 -0.327 5.405 3.779 1.00 60.54 C ATOM 998 C ILE A 72 -1.356 5.142 2.685 1.00 13.21 C ATOM 999 O ILE A 72 -0.997 4.786 1.559 1.00 71.54 O ATOM 1000 CB ILE A 72 -0.073 4.122 4.628 1.00 61.52 C ATOM 1001 CG1 ILE A 72 -1.379 3.504 5.158 1.00 1.40 C ATOM 1002 CG2 ILE A 72 0.873 4.437 5.788 1.00 20.31 C ATOM 1003 CD1 ILE A 72 -2.047 2.538 4.191 1.00 53.21 C ATOM 0 H ILE A 72 -1.014 6.292 5.553 1.00 43.21 H new ATOM 0 HA ILE A 72 0.623 5.667 3.313 1.00 60.54 H new ATOM 0 HB ILE A 72 0.389 3.385 3.972 1.00 61.52 H new ATOM 0 HG12 ILE A 72 -1.168 2.980 6.090 1.00 1.40 H new ATOM 0 HG13 ILE A 72 -2.078 4.306 5.394 1.00 1.40 H new ATOM 0 HG21 ILE A 72 1.043 3.534 6.374 1.00 20.31 H new ATOM 0 HG22 ILE A 72 1.823 4.799 5.395 1.00 20.31 H new ATOM 0 HG23 ILE A 72 0.428 5.203 6.423 1.00 20.31 H new ATOM 0 HD11 ILE A 72 -2.960 2.147 4.640 1.00 53.21 H new ATOM 0 HD12 ILE A 72 -2.292 3.060 3.266 1.00 53.21 H new ATOM 0 HD13 ILE A 72 -1.368 1.714 3.973 1.00 53.21 H new ATOM 1015 N GLU A 73 -2.639 5.328 3.017 1.00 14.42 N ATOM 1016 CA GLU A 73 -3.713 5.128 2.049 1.00 5.45 C ATOM 1017 C GLU A 73 -3.590 6.118 0.901 1.00 41.02 C ATOM 1018 O GLU A 73 -3.683 5.740 -0.268 1.00 62.51 O ATOM 1019 CB GLU A 73 -5.090 5.251 2.718 1.00 64.12 C ATOM 1020 CG GLU A 73 -5.452 4.044 3.569 1.00 51.03 C ATOM 1021 CD GLU A 73 -6.816 4.173 4.233 1.00 74.51 C ATOM 1022 OE1 GLU A 73 -6.875 4.616 5.398 1.00 31.52 O ATOM 1023 OE2 GLU A 73 -7.831 3.818 3.603 1.00 43.53 O ATOM 0 H GLU A 73 -2.953 5.615 3.944 1.00 14.42 H new ATOM 0 HA GLU A 73 -3.620 4.118 1.649 1.00 5.45 H new ATOM 0 HB2 GLU A 73 -5.105 6.145 3.342 1.00 64.12 H new ATOM 0 HB3 GLU A 73 -5.850 5.386 1.948 1.00 64.12 H new ATOM 0 HG2 GLU A 73 -5.440 3.150 2.946 1.00 51.03 H new ATOM 0 HG3 GLU A 73 -4.691 3.907 4.337 1.00 51.03 H new ATOM 1030 N ASP A 74 -3.353 7.380 1.239 1.00 55.44 N ATOM 1031 CA ASP A 74 -3.246 8.428 0.231 1.00 44.15 C ATOM 1032 C ASP A 74 -2.009 8.218 -0.647 1.00 13.14 C ATOM 1033 O ASP A 74 -2.083 8.352 -1.870 1.00 21.54 O ATOM 1034 CB ASP A 74 -3.209 9.811 0.891 1.00 65.04 C ATOM 1035 CG ASP A 74 -3.309 10.938 -0.126 1.00 20.22 C ATOM 1036 OD1 ASP A 74 -2.340 11.716 -0.265 1.00 60.00 O ATOM 1037 OD2 ASP A 74 -4.362 11.053 -0.795 1.00 53.31 O ATOM 0 H ASP A 74 -3.232 7.702 2.199 1.00 55.44 H new ATOM 0 HA ASP A 74 -4.128 8.374 -0.407 1.00 44.15 H new ATOM 0 HB2 ASP A 74 -4.030 9.893 1.603 1.00 65.04 H new ATOM 0 HB3 ASP A 74 -2.284 9.916 1.457 1.00 65.04 H new ATOM 1042 N GLN A 75 -0.881 7.866 -0.020 1.00 34.44 N ATOM 1043 CA GLN A 75 0.361 7.593 -0.755 1.00 22.54 C ATOM 1044 C GLN A 75 0.161 6.446 -1.745 1.00 24.53 C ATOM 1045 O GLN A 75 0.422 6.585 -2.943 1.00 60.44 O ATOM 1046 CB GLN A 75 1.502 7.242 0.218 1.00 0.40 C ATOM 1047 CG GLN A 75 1.859 8.364 1.181 1.00 50.23 C ATOM 1048 CD GLN A 75 2.863 7.939 2.239 1.00 61.43 C ATOM 1049 OE1 GLN A 75 2.492 7.399 3.280 1.00 24.14 O ATOM 1050 NE2 GLN A 75 4.133 8.217 2.002 1.00 1.53 N ATOM 0 H GLN A 75 -0.802 7.763 0.992 1.00 34.44 H new ATOM 0 HA GLN A 75 0.629 8.494 -1.306 1.00 22.54 H new ATOM 0 HB2 GLN A 75 1.218 6.360 0.792 1.00 0.40 H new ATOM 0 HB3 GLN A 75 2.388 6.975 -0.358 1.00 0.40 H new ATOM 0 HG2 GLN A 75 2.266 9.204 0.618 1.00 50.23 H new ATOM 0 HG3 GLN A 75 0.952 8.718 1.670 1.00 50.23 H new ATOM 0 HE21 GLN A 75 4.402 8.666 1.126 1.00 1.53 H new ATOM 0 HE22 GLN A 75 4.844 7.983 2.695 1.00 1.53 H new ATOM 1059 N SER A 76 -0.321 5.318 -1.228 1.00 32.55 N ATOM 1060 CA SER A 76 -0.528 4.121 -2.035 1.00 14.34 C ATOM 1061 C SER A 76 -1.507 4.404 -3.177 1.00 2.43 C ATOM 1062 O SER A 76 -1.192 4.180 -4.349 1.00 22.52 O ATOM 1063 CB SER A 76 -1.045 2.975 -1.151 1.00 33.11 C ATOM 1064 OG SER A 76 -1.176 1.768 -1.884 1.00 62.34 O ATOM 0 H SER A 76 -0.577 5.209 -0.247 1.00 32.55 H new ATOM 0 HA SER A 76 0.425 3.824 -2.472 1.00 14.34 H new ATOM 0 HB2 SER A 76 -0.361 2.822 -0.316 1.00 33.11 H new ATOM 0 HB3 SER A 76 -2.010 3.250 -0.726 1.00 33.11 H new ATOM 0 HG SER A 76 -1.505 1.060 -1.292 1.00 62.34 H new ATOM 1070 N ARG A 77 -2.684 4.922 -2.826 1.00 64.34 N ATOM 1071 CA ARG A 77 -3.721 5.233 -3.810 1.00 32.34 C ATOM 1072 C ARG A 77 -3.191 6.160 -4.901 1.00 75.41 C ATOM 1073 O ARG A 77 -3.316 5.860 -6.093 1.00 21.12 O ATOM 1074 CB ARG A 77 -4.924 5.873 -3.106 1.00 13.30 C ATOM 1075 CG ARG A 77 -6.023 6.360 -4.045 1.00 10.22 C ATOM 1076 CD ARG A 77 -7.170 6.993 -3.269 1.00 13.40 C ATOM 1077 NE ARG A 77 -6.713 8.094 -2.411 1.00 65.45 N ATOM 1078 CZ ARG A 77 -7.103 8.272 -1.149 1.00 64.54 C ATOM 1079 NH1 ARG A 77 -7.993 7.448 -0.603 1.00 25.01 N ATOM 1080 NH2 ARG A 77 -6.606 9.279 -0.437 1.00 52.22 N ATOM 0 H ARG A 77 -2.944 5.136 -1.863 1.00 64.34 H new ATOM 0 HA ARG A 77 -4.032 4.304 -4.287 1.00 32.34 H new ATOM 0 HB2 ARG A 77 -5.351 5.148 -2.413 1.00 13.30 H new ATOM 0 HB3 ARG A 77 -4.574 6.716 -2.510 1.00 13.30 H new ATOM 0 HG2 ARG A 77 -5.611 7.086 -4.746 1.00 10.22 H new ATOM 0 HG3 ARG A 77 -6.398 5.524 -4.635 1.00 10.22 H new ATOM 0 HD2 ARG A 77 -7.919 7.365 -3.968 1.00 13.40 H new ATOM 0 HD3 ARG A 77 -7.656 6.234 -2.656 1.00 13.40 H new ATOM 0 HE ARG A 77 -6.055 8.766 -2.806 1.00 65.45 H new ATOM 0 HH11 ARG A 77 -8.378 6.678 -1.150 1.00 25.01 H new ATOM 0 HH12 ARG A 77 -8.290 7.586 0.363 1.00 25.01 H new ATOM 0 HH21 ARG A 77 -5.927 9.914 -0.857 1.00 52.22 H new ATOM 0 HH22 ARG A 77 -6.904 9.416 0.529 1.00 52.22 H new ATOM 1094 N SER A 78 -2.573 7.262 -4.483 1.00 32.13 N ATOM 1095 CA SER A 78 -2.105 8.286 -5.408 1.00 22.05 C ATOM 1096 C SER A 78 -1.218 7.680 -6.492 1.00 5.12 C ATOM 1097 O SER A 78 -1.455 7.886 -7.684 1.00 12.35 O ATOM 1098 CB SER A 78 -1.340 9.380 -4.648 1.00 12.23 C ATOM 1099 OG SER A 78 -0.946 10.445 -5.505 1.00 44.32 O ATOM 0 H SER A 78 -2.385 7.468 -3.502 1.00 32.13 H new ATOM 0 HA SER A 78 -2.976 8.731 -5.890 1.00 22.05 H new ATOM 0 HB2 SER A 78 -1.967 9.772 -3.847 1.00 12.23 H new ATOM 0 HB3 SER A 78 -0.457 8.946 -4.179 1.00 12.23 H new ATOM 0 HG SER A 78 -0.464 11.122 -4.985 1.00 44.32 H new ATOM 1105 N ALA A 79 -0.209 6.918 -6.082 1.00 33.42 N ATOM 1106 CA ALA A 79 0.745 6.377 -7.039 1.00 51.52 C ATOM 1107 C ALA A 79 0.134 5.229 -7.846 1.00 2.10 C ATOM 1108 O ALA A 79 0.081 5.291 -9.074 1.00 22.55 O ATOM 1109 CB ALA A 79 1.999 5.903 -6.314 1.00 25.00 C ATOM 0 H ALA A 79 -0.033 6.665 -5.110 1.00 33.42 H new ATOM 0 HA ALA A 79 1.012 7.171 -7.737 1.00 51.52 H new ATOM 0 HB1 ALA A 79 2.707 5.500 -7.038 1.00 25.00 H new ATOM 0 HB2 ALA A 79 2.455 6.742 -5.789 1.00 25.00 H new ATOM 0 HB3 ALA A 79 1.733 5.127 -5.596 1.00 25.00 H new ATOM 1115 N LEU A 80 -0.437 4.243 -7.152 1.00 21.12 N ATOM 1116 CA LEU A 80 -0.911 3.019 -7.807 1.00 22.13 C ATOM 1117 C LEU A 80 -1.973 3.333 -8.856 1.00 55.32 C ATOM 1118 O LEU A 80 -1.984 2.741 -9.942 1.00 1.31 O ATOM 1119 CB LEU A 80 -1.450 2.015 -6.773 1.00 14.54 C ATOM 1120 CG LEU A 80 -0.395 1.439 -5.811 1.00 72.52 C ATOM 1121 CD1 LEU A 80 -1.038 0.472 -4.818 1.00 74.34 C ATOM 1122 CD2 LEU A 80 0.730 0.751 -6.586 1.00 11.11 C ATOM 0 H LEU A 80 -0.583 4.266 -6.143 1.00 21.12 H new ATOM 0 HA LEU A 80 -0.060 2.563 -8.314 1.00 22.13 H new ATOM 0 HB2 LEU A 80 -2.227 2.504 -6.185 1.00 14.54 H new ATOM 0 HB3 LEU A 80 -1.924 1.190 -7.304 1.00 14.54 H new ATOM 0 HG LEU A 80 0.038 2.266 -5.249 1.00 72.52 H new ATOM 0 HD11 LEU A 80 -0.274 0.077 -4.148 1.00 74.34 H new ATOM 0 HD12 LEU A 80 -1.795 0.998 -4.236 1.00 74.34 H new ATOM 0 HD13 LEU A 80 -1.505 -0.350 -5.361 1.00 74.34 H new ATOM 0 HD21 LEU A 80 1.463 0.352 -5.885 1.00 11.11 H new ATOM 0 HD22 LEU A 80 0.317 -0.063 -7.181 1.00 11.11 H new ATOM 0 HD23 LEU A 80 1.213 1.473 -7.244 1.00 11.11 H new ATOM 1134 N VAL A 81 -2.849 4.277 -8.537 1.00 22.22 N ATOM 1135 CA VAL A 81 -3.877 4.711 -9.470 1.00 24.45 C ATOM 1136 C VAL A 81 -3.281 5.656 -10.518 1.00 53.31 C ATOM 1137 O VAL A 81 -3.754 5.713 -11.654 1.00 23.35 O ATOM 1138 CB VAL A 81 -5.057 5.400 -8.734 1.00 74.12 C ATOM 1139 CG1 VAL A 81 -6.126 5.873 -9.721 1.00 10.34 C ATOM 1140 CG2 VAL A 81 -5.662 4.455 -7.694 1.00 11.10 C ATOM 0 H VAL A 81 -2.867 4.757 -7.637 1.00 22.22 H new ATOM 0 HA VAL A 81 -4.267 3.825 -9.971 1.00 24.45 H new ATOM 0 HB VAL A 81 -4.667 6.279 -8.221 1.00 74.12 H new ATOM 0 HG11 VAL A 81 -6.939 6.351 -9.175 1.00 10.34 H new ATOM 0 HG12 VAL A 81 -5.687 6.587 -10.418 1.00 10.34 H new ATOM 0 HG13 VAL A 81 -6.514 5.018 -10.274 1.00 10.34 H new ATOM 0 HG21 VAL A 81 -6.488 4.953 -7.187 1.00 11.10 H new ATOM 0 HG22 VAL A 81 -6.029 3.556 -8.189 1.00 11.10 H new ATOM 0 HG23 VAL A 81 -4.900 4.181 -6.964 1.00 11.10 H new ATOM 1150 N GLY A 82 -2.213 6.367 -10.144 1.00 0.04 N ATOM 1151 CA GLY A 82 -1.675 7.412 -11.001 1.00 4.45 C ATOM 1152 C GLY A 82 -0.806 6.853 -12.108 1.00 64.41 C ATOM 1153 O GLY A 82 -0.765 7.390 -13.217 1.00 11.43 O ATOM 0 H GLY A 82 -1.714 6.236 -9.264 1.00 0.04 H new ATOM 0 HA2 GLY A 82 -2.496 7.980 -11.438 1.00 4.45 H new ATOM 0 HA3 GLY A 82 -1.091 8.108 -10.399 1.00 4.45 H new ATOM 1157 N SER A 83 -0.118 5.763 -11.804 1.00 34.02 N ATOM 1158 CA SER A 83 0.786 5.119 -12.749 1.00 25.22 C ATOM 1159 C SER A 83 0.087 3.964 -13.477 1.00 20.50 C ATOM 1160 O SER A 83 0.686 3.291 -14.318 1.00 34.31 O ATOM 1161 CB SER A 83 2.020 4.625 -11.993 1.00 43.14 C ATOM 1162 OG SER A 83 2.575 5.667 -11.207 1.00 23.43 O ATOM 0 H SER A 83 -0.169 5.299 -10.897 1.00 34.02 H new ATOM 0 HA SER A 83 1.091 5.839 -13.508 1.00 25.22 H new ATOM 0 HB2 SER A 83 1.749 3.785 -11.354 1.00 43.14 H new ATOM 0 HB3 SER A 83 2.765 4.260 -12.701 1.00 43.14 H new ATOM 0 HG SER A 83 2.864 5.307 -10.343 1.00 23.43 H new ATOM 1168 N GLY A 84 -1.184 3.739 -13.141 1.00 3.23 N ATOM 1169 CA GLY A 84 -1.985 2.739 -13.833 1.00 60.14 C ATOM 1170 C GLY A 84 -1.582 1.310 -13.509 1.00 61.51 C ATOM 1171 O GLY A 84 -1.745 0.411 -14.339 1.00 24.24 O ATOM 0 H GLY A 84 -1.675 4.235 -12.397 1.00 3.23 H new ATOM 0 HA2 GLY A 84 -3.034 2.881 -13.572 1.00 60.14 H new ATOM 0 HA3 GLY A 84 -1.900 2.897 -14.908 1.00 60.14 H new ATOM 1175 N LEU A 85 -1.068 1.088 -12.300 1.00 43.10 N ATOM 1176 CA LEU A 85 -0.718 -0.264 -11.852 1.00 72.40 C ATOM 1177 C LEU A 85 -1.971 -1.009 -11.390 1.00 53.20 C ATOM 1178 O LEU A 85 -1.931 -2.208 -11.107 1.00 13.21 O ATOM 1179 CB LEU A 85 0.340 -0.221 -10.731 1.00 43.23 C ATOM 1180 CG LEU A 85 1.806 -0.123 -11.209 1.00 31.44 C ATOM 1181 CD1 LEU A 85 2.004 1.060 -12.150 1.00 43.32 C ATOM 1182 CD2 LEU A 85 2.759 -0.026 -10.018 1.00 34.12 C ATOM 0 H LEU A 85 -0.885 1.821 -11.615 1.00 43.10 H new ATOM 0 HA LEU A 85 -0.285 -0.803 -12.695 1.00 72.40 H new ATOM 0 HB2 LEU A 85 0.128 0.632 -10.086 1.00 43.23 H new ATOM 0 HB3 LEU A 85 0.234 -1.117 -10.119 1.00 43.23 H new ATOM 0 HG LEU A 85 2.035 -1.034 -11.762 1.00 31.44 H new ATOM 0 HD11 LEU A 85 3.046 1.101 -12.468 1.00 43.32 H new ATOM 0 HD12 LEU A 85 1.362 0.942 -13.023 1.00 43.32 H new ATOM 0 HD13 LEU A 85 1.746 1.984 -11.632 1.00 43.32 H new ATOM 0 HD21 LEU A 85 3.786 0.042 -10.378 1.00 34.12 H new ATOM 0 HD22 LEU A 85 2.520 0.862 -9.432 1.00 34.12 H new ATOM 0 HD23 LEU A 85 2.652 -0.913 -9.393 1.00 34.12 H new ATOM 1194 N VAL A 86 -3.078 -0.278 -11.313 1.00 23.31 N ATOM 1195 CA VAL A 86 -4.376 -0.852 -10.987 1.00 25.03 C ATOM 1196 C VAL A 86 -5.469 0.133 -11.360 1.00 33.12 C ATOM 1197 O VAL A 86 -5.199 1.324 -11.533 1.00 41.40 O ATOM 1198 CB VAL A 86 -4.496 -1.192 -9.479 1.00 74.14 C ATOM 1199 CG1 VAL A 86 -4.616 0.065 -8.609 1.00 1.40 C ATOM 1200 CG2 VAL A 86 -5.606 -2.216 -9.219 1.00 63.15 C ATOM 0 H VAL A 86 -3.099 0.729 -11.475 1.00 23.31 H new ATOM 0 HA VAL A 86 -4.482 -1.778 -11.552 1.00 25.03 H new ATOM 0 HB VAL A 86 -3.564 -1.669 -9.176 1.00 74.14 H new ATOM 0 HG11 VAL A 86 -4.698 -0.224 -7.561 1.00 1.40 H new ATOM 0 HG12 VAL A 86 -3.732 0.688 -8.746 1.00 1.40 H new ATOM 0 HG13 VAL A 86 -5.504 0.626 -8.901 1.00 1.40 H new ATOM 0 HG21 VAL A 86 -5.661 -2.430 -8.152 1.00 63.15 H new ATOM 0 HG22 VAL A 86 -6.560 -1.812 -9.558 1.00 63.15 H new ATOM 0 HG23 VAL A 86 -5.388 -3.135 -9.763 1.00 63.15 H new ATOM 1210 N ASP A 87 -6.691 -0.362 -11.494 1.00 2.31 N ATOM 1211 CA ASP A 87 -7.843 0.503 -11.706 1.00 40.03 C ATOM 1212 C ASP A 87 -8.235 1.174 -10.394 1.00 31.32 C ATOM 1213 O ASP A 87 -8.906 2.207 -10.398 1.00 75.23 O ATOM 1214 CB ASP A 87 -9.049 -0.292 -12.242 1.00 34.32 C ATOM 1215 CG ASP A 87 -8.802 -0.980 -13.580 1.00 13.22 C ATOM 1216 OD1 ASP A 87 -7.749 -0.748 -14.209 1.00 33.02 O ATOM 1217 OD2 ASP A 87 -9.678 -1.766 -14.008 1.00 13.44 O ATOM 0 H ASP A 87 -6.911 -1.358 -11.460 1.00 2.31 H new ATOM 0 HA ASP A 87 -7.564 1.255 -12.444 1.00 40.03 H new ATOM 0 HB2 ASP A 87 -9.329 -1.045 -11.506 1.00 34.32 H new ATOM 0 HB3 ASP A 87 -9.898 0.384 -12.345 1.00 34.32 H new ATOM 1222 N ASP A 88 -7.786 0.588 -9.271 1.00 54.45 N ATOM 1223 CA ASP A 88 -8.246 1.003 -7.939 1.00 61.33 C ATOM 1224 C ASP A 88 -7.667 0.082 -6.866 1.00 61.25 C ATOM 1225 O ASP A 88 -7.401 -1.094 -7.126 1.00 54.12 O ATOM 1226 CB ASP A 88 -9.786 0.982 -7.872 1.00 63.23 C ATOM 1227 CG ASP A 88 -10.343 1.315 -6.492 1.00 22.41 C ATOM 1228 OD1 ASP A 88 -9.779 2.193 -5.805 1.00 51.41 O ATOM 1229 OD2 ASP A 88 -11.357 0.699 -6.094 1.00 74.22 O ATOM 0 H ASP A 88 -7.107 -0.173 -9.261 1.00 54.45 H new ATOM 0 HA ASP A 88 -7.899 2.020 -7.757 1.00 61.33 H new ATOM 0 HB2 ASP A 88 -10.182 1.694 -8.596 1.00 63.23 H new ATOM 0 HB3 ASP A 88 -10.141 -0.005 -8.169 1.00 63.23 H new ATOM 1234 N ILE A 89 -7.474 0.613 -5.664 1.00 10.14 N ATOM 1235 CA ILE A 89 -6.881 -0.153 -4.571 1.00 61.32 C ATOM 1236 C ILE A 89 -7.882 -0.315 -3.434 1.00 32.52 C ATOM 1237 O ILE A 89 -8.760 0.524 -3.243 1.00 31.45 O ATOM 1238 CB ILE A 89 -5.593 0.512 -4.002 1.00 4.41 C ATOM 1239 CG1 ILE A 89 -5.934 1.760 -3.169 1.00 2.43 C ATOM 1240 CG2 ILE A 89 -4.628 0.879 -5.126 1.00 50.42 C ATOM 1241 CD1 ILE A 89 -4.752 2.319 -2.408 1.00 61.03 C ATOM 0 H ILE A 89 -7.720 1.572 -5.420 1.00 10.14 H new ATOM 0 HA ILE A 89 -6.610 -1.123 -4.988 1.00 61.32 H new ATOM 0 HB ILE A 89 -5.108 -0.215 -3.350 1.00 4.41 H new ATOM 0 HG12 ILE A 89 -6.328 2.532 -3.830 1.00 2.43 H new ATOM 0 HG13 ILE A 89 -6.726 1.510 -2.463 1.00 2.43 H new ATOM 0 HG21 ILE A 89 -3.736 1.342 -4.703 1.00 50.42 H new ATOM 0 HG22 ILE A 89 -4.346 -0.021 -5.672 1.00 50.42 H new ATOM 0 HG23 ILE A 89 -5.112 1.579 -5.807 1.00 50.42 H new ATOM 0 HD11 ILE A 89 -5.065 3.197 -1.843 1.00 61.03 H new ATOM 0 HD12 ILE A 89 -4.371 1.563 -1.722 1.00 61.03 H new ATOM 0 HD13 ILE A 89 -3.967 2.600 -3.110 1.00 61.03 H new ATOM 1253 N ARG A 90 -7.742 -1.390 -2.676 1.00 4.24 N ATOM 1254 CA ARG A 90 -8.572 -1.603 -1.502 1.00 33.53 C ATOM 1255 C ARG A 90 -7.689 -2.022 -0.336 1.00 2.04 C ATOM 1256 O ARG A 90 -7.208 -3.152 -0.290 1.00 23.33 O ATOM 1257 CB ARG A 90 -9.628 -2.683 -1.787 1.00 53.21 C ATOM 1258 CG ARG A 90 -10.817 -2.646 -0.834 1.00 2.41 C ATOM 1259 CD ARG A 90 -11.721 -1.448 -1.115 1.00 3.23 C ATOM 1260 NE ARG A 90 -12.386 -1.567 -2.416 1.00 34.04 N ATOM 1261 CZ ARG A 90 -12.150 -0.782 -3.473 1.00 53.22 C ATOM 1262 NH1 ARG A 90 -11.277 0.216 -3.402 1.00 63.30 N ATOM 1263 NH2 ARG A 90 -12.788 -0.998 -4.612 1.00 61.13 N ATOM 0 H ARG A 90 -7.061 -2.129 -2.853 1.00 4.24 H new ATOM 0 HA ARG A 90 -9.089 -0.677 -1.250 1.00 33.53 H new ATOM 0 HB2 ARG A 90 -9.989 -2.565 -2.809 1.00 53.21 H new ATOM 0 HB3 ARG A 90 -9.157 -3.664 -1.727 1.00 53.21 H new ATOM 0 HG2 ARG A 90 -11.391 -3.567 -0.931 1.00 2.41 H new ATOM 0 HG3 ARG A 90 -10.459 -2.600 0.195 1.00 2.41 H new ATOM 0 HD2 ARG A 90 -12.471 -1.365 -0.329 1.00 3.23 H new ATOM 0 HD3 ARG A 90 -11.131 -0.532 -1.090 1.00 3.23 H new ATOM 0 HE ARG A 90 -13.082 -2.305 -2.523 1.00 34.04 H new ATOM 0 HH11 ARG A 90 -10.775 0.393 -2.532 1.00 63.30 H new ATOM 0 HH12 ARG A 90 -11.109 0.805 -4.217 1.00 63.30 H new ATOM 0 HH21 ARG A 90 -13.459 -1.763 -4.683 1.00 61.13 H new ATOM 0 HH22 ARG A 90 -12.609 -0.400 -5.418 1.00 61.13 H new ATOM 1277 N ILE A 91 -7.481 -1.110 0.601 1.00 61.12 N ATOM 1278 CA ILE A 91 -6.631 -1.369 1.757 1.00 43.40 C ATOM 1279 C ILE A 91 -7.482 -1.754 2.961 1.00 4.10 C ATOM 1280 O ILE A 91 -8.584 -1.237 3.140 1.00 21.24 O ATOM 1281 CB ILE A 91 -5.752 -0.136 2.103 1.00 44.31 C ATOM 1282 CG1 ILE A 91 -4.849 0.220 0.907 1.00 35.13 C ATOM 1283 CG2 ILE A 91 -4.913 -0.394 3.360 1.00 14.34 C ATOM 1284 CD1 ILE A 91 -3.959 1.423 1.145 1.00 2.12 C ATOM 0 H ILE A 91 -7.892 -0.177 0.584 1.00 61.12 H new ATOM 0 HA ILE A 91 -5.968 -2.197 1.504 1.00 43.40 H new ATOM 0 HB ILE A 91 -6.408 0.709 2.310 1.00 44.31 H new ATOM 0 HG12 ILE A 91 -4.224 -0.640 0.668 1.00 35.13 H new ATOM 0 HG13 ILE A 91 -5.475 0.411 0.036 1.00 35.13 H new ATOM 0 HG21 ILE A 91 -4.307 0.485 3.580 1.00 14.34 H new ATOM 0 HG22 ILE A 91 -5.573 -0.599 4.202 1.00 14.34 H new ATOM 0 HG23 ILE A 91 -4.261 -1.251 3.193 1.00 14.34 H new ATOM 0 HD11 ILE A 91 -3.354 1.609 0.258 1.00 2.12 H new ATOM 0 HD12 ILE A 91 -4.576 2.297 1.354 1.00 2.12 H new ATOM 0 HD13 ILE A 91 -3.305 1.229 1.995 1.00 2.12 H new ATOM 1296 N ASN A 92 -6.972 -2.674 3.767 1.00 61.05 N ATOM 1297 CA ASN A 92 -7.675 -3.143 4.955 1.00 20.02 C ATOM 1298 C ASN A 92 -6.853 -2.857 6.201 1.00 14.04 C ATOM 1299 O ASN A 92 -5.625 -2.947 6.176 1.00 62.43 O ATOM 1300 CB ASN A 92 -7.956 -4.646 4.866 1.00 13.11 C ATOM 1301 CG ASN A 92 -8.708 -5.160 6.082 1.00 72.52 C ATOM 1302 OD1 ASN A 92 -9.451 -4.420 6.719 1.00 54.23 O ATOM 1303 ND2 ASN A 92 -8.527 -6.428 6.413 1.00 21.14 N ATOM 0 H ASN A 92 -6.064 -3.115 3.618 1.00 61.05 H new ATOM 0 HA ASN A 92 -8.624 -2.610 5.015 1.00 20.02 H new ATOM 0 HB2 ASN A 92 -8.537 -4.853 3.967 1.00 13.11 H new ATOM 0 HB3 ASN A 92 -7.014 -5.185 4.768 1.00 13.11 H new ATOM 0 HD21 ASN A 92 -9.013 -6.819 7.220 1.00 21.14 H new ATOM 0 HD22 ASN A 92 -7.902 -7.015 5.861 1.00 21.14 H new ATOM 1310 N TRP A 93 -7.533 -2.510 7.283 1.00 14.41 N ATOM 1311 CA TRP A 93 -6.884 -2.268 8.561 1.00 22.53 C ATOM 1312 C TRP A 93 -7.251 -3.357 9.545 1.00 5.25 C ATOM 1313 O TRP A 93 -8.377 -3.390 10.047 1.00 44.32 O ATOM 1314 CB TRP A 93 -7.293 -0.899 9.114 1.00 32.23 C ATOM 1315 CG TRP A 93 -6.752 0.231 8.301 1.00 31.12 C ATOM 1316 CD1 TRP A 93 -7.456 1.187 7.621 1.00 53.31 C ATOM 1317 CD2 TRP A 93 -5.373 0.498 8.068 1.00 31.23 C ATOM 1318 NE1 TRP A 93 -6.584 2.043 6.993 1.00 15.42 N ATOM 1319 CE2 TRP A 93 -5.301 1.637 7.254 1.00 53.22 C ATOM 1320 CE3 TRP A 93 -4.188 -0.118 8.482 1.00 71.52 C ATOM 1321 CZ2 TRP A 93 -4.091 2.169 6.840 1.00 53.10 C ATOM 1322 CZ3 TRP A 93 -2.987 0.413 8.069 1.00 53.32 C ATOM 1323 CH2 TRP A 93 -2.946 1.546 7.260 1.00 75.11 C ATOM 0 H TRP A 93 -8.546 -2.389 7.300 1.00 14.41 H new ATOM 0 HA TRP A 93 -5.804 -2.276 8.412 1.00 22.53 H new ATOM 0 HB2 TRP A 93 -8.381 -0.833 9.144 1.00 32.23 H new ATOM 0 HB3 TRP A 93 -6.940 -0.805 10.141 1.00 32.23 H new ATOM 0 HD1 TRP A 93 -8.533 1.258 7.584 1.00 53.31 H new ATOM 0 HE1 TRP A 93 -6.848 2.848 6.426 1.00 15.42 H new ATOM 0 HE3 TRP A 93 -4.214 -0.994 9.114 1.00 71.52 H new ATOM 0 HZ2 TRP A 93 -4.052 3.044 6.208 1.00 53.10 H new ATOM 0 HZ3 TRP A 93 -2.064 -0.055 8.377 1.00 53.32 H new ATOM 0 HH2 TRP A 93 -1.988 1.943 6.957 1.00 75.11 H new ATOM 1334 N VAL A 94 -6.312 -4.253 9.831 1.00 12.24 N ATOM 1335 CA VAL A 94 -6.595 -5.331 10.770 1.00 32.42 C ATOM 1336 C VAL A 94 -6.023 -5.014 12.145 1.00 44.33 C ATOM 1337 O VAL A 94 -4.835 -4.738 12.296 1.00 10.33 O ATOM 1338 CB VAL A 94 -6.079 -6.706 10.265 1.00 33.34 C ATOM 1339 CG1 VAL A 94 -6.842 -7.121 9.014 1.00 43.41 C ATOM 1340 CG2 VAL A 94 -4.578 -6.679 9.988 1.00 0.32 C ATOM 0 H VAL A 94 -5.371 -4.256 9.437 1.00 12.24 H new ATOM 0 HA VAL A 94 -7.679 -5.406 10.850 1.00 32.42 H new ATOM 0 HB VAL A 94 -6.253 -7.439 11.053 1.00 33.34 H new ATOM 0 HG11 VAL A 94 -6.474 -8.086 8.667 1.00 43.41 H new ATOM 0 HG12 VAL A 94 -7.904 -7.200 9.245 1.00 43.41 H new ATOM 0 HG13 VAL A 94 -6.695 -6.374 8.234 1.00 43.41 H new ATOM 0 HG21 VAL A 94 -4.255 -7.659 9.637 1.00 0.32 H new ATOM 0 HG22 VAL A 94 -4.362 -5.931 9.225 1.00 0.32 H new ATOM 0 HG23 VAL A 94 -4.043 -6.428 10.904 1.00 0.32 H new ATOM 1350 N TRP A 95 -6.892 -5.027 13.144 1.00 42.42 N ATOM 1351 CA TRP A 95 -6.498 -4.761 14.521 1.00 31.30 C ATOM 1352 C TRP A 95 -6.566 -6.042 15.339 1.00 64.30 C ATOM 1353 O TRP A 95 -5.731 -6.283 16.212 1.00 14.32 O ATOM 1354 CB TRP A 95 -7.428 -3.707 15.132 1.00 64.50 C ATOM 1355 CG TRP A 95 -7.655 -2.531 14.232 1.00 31.20 C ATOM 1356 CD1 TRP A 95 -6.748 -1.572 13.894 1.00 20.21 C ATOM 1357 CD2 TRP A 95 -8.868 -2.200 13.543 1.00 41.14 C ATOM 1358 NE1 TRP A 95 -7.322 -0.658 13.044 1.00 25.14 N ATOM 1359 CE2 TRP A 95 -8.622 -1.022 12.814 1.00 53.15 C ATOM 1360 CE3 TRP A 95 -10.135 -2.784 13.474 1.00 40.52 C ATOM 1361 CZ2 TRP A 95 -9.598 -0.416 12.027 1.00 44.52 C ATOM 1362 CZ3 TRP A 95 -11.103 -2.183 12.692 1.00 63.33 C ATOM 1363 CH2 TRP A 95 -10.829 -1.010 11.975 1.00 21.12 C ATOM 0 H TRP A 95 -7.886 -5.221 13.025 1.00 42.42 H new ATOM 0 HA TRP A 95 -5.474 -4.387 14.531 1.00 31.30 H new ATOM 0 HB2 TRP A 95 -8.387 -4.169 15.365 1.00 64.50 H new ATOM 0 HB3 TRP A 95 -7.004 -3.359 16.074 1.00 64.50 H new ATOM 0 HD1 TRP A 95 -5.727 -1.536 14.243 1.00 20.21 H new ATOM 0 HE1 TRP A 95 -6.856 0.159 12.649 1.00 25.14 H new ATOM 0 HE3 TRP A 95 -10.354 -3.689 14.022 1.00 40.52 H new ATOM 0 HZ2 TRP A 95 -9.390 0.490 11.478 1.00 44.52 H new ATOM 0 HZ3 TRP A 95 -12.087 -2.624 12.632 1.00 63.33 H new ATOM 0 HH2 TRP A 95 -11.605 -0.566 11.369 1.00 21.12 H new ATOM 1374 N ASN A 96 -7.553 -6.870 15.010 1.00 0.55 N ATOM 1375 CA ASN A 96 -7.857 -8.074 15.778 1.00 21.54 C ATOM 1376 C ASN A 96 -8.894 -8.940 15.045 1.00 23.11 C ATOM 1377 O ASN A 96 -8.700 -10.150 14.918 1.00 51.02 O ATOM 1378 CB ASN A 96 -8.359 -7.705 17.188 1.00 21.44 C ATOM 1379 CG ASN A 96 -8.728 -8.910 18.042 1.00 53.10 C ATOM 1380 OD1 ASN A 96 -9.649 -8.840 18.857 1.00 10.42 O ATOM 1381 ND2 ASN A 96 -8.005 -10.012 17.892 1.00 51.44 N ATOM 0 H ASN A 96 -8.164 -6.726 14.206 1.00 0.55 H new ATOM 0 HA ASN A 96 -6.940 -8.654 15.880 1.00 21.54 H new ATOM 0 HB2 ASN A 96 -7.587 -7.131 17.700 1.00 21.44 H new ATOM 0 HB3 ASN A 96 -9.230 -7.056 17.096 1.00 21.44 H new ATOM 0 HD21 ASN A 96 -8.205 -10.835 18.461 1.00 51.44 H new ATOM 0 HD22 ASN A 96 -7.249 -10.037 17.208 1.00 51.44 H new ATOM 1388 N PRO A 97 -10.014 -8.350 14.549 1.00 43.02 N ATOM 1389 CA PRO A 97 -11.026 -9.110 13.793 1.00 21.31 C ATOM 1390 C PRO A 97 -10.498 -9.585 12.432 1.00 55.41 C ATOM 1391 O PRO A 97 -9.527 -9.029 11.913 1.00 25.35 O ATOM 1392 CB PRO A 97 -12.173 -8.100 13.611 1.00 15.24 C ATOM 1393 CG PRO A 97 -11.513 -6.767 13.688 1.00 42.32 C ATOM 1394 CD PRO A 97 -10.405 -6.927 14.692 1.00 32.43 C ATOM 0 HA PRO A 97 -11.327 -10.020 14.312 1.00 21.31 H new ATOM 0 HB2 PRO A 97 -12.676 -8.239 12.654 1.00 15.24 H new ATOM 0 HB3 PRO A 97 -12.929 -8.214 14.388 1.00 15.24 H new ATOM 0 HG2 PRO A 97 -11.122 -6.466 12.716 1.00 42.32 H new ATOM 0 HG3 PRO A 97 -12.218 -5.997 14.001 1.00 42.32 H new ATOM 0 HD2 PRO A 97 -9.571 -6.258 14.480 1.00 32.43 H new ATOM 0 HD3 PRO A 97 -10.744 -6.703 15.703 1.00 32.43 H new ATOM 1402 N PRO A 98 -11.116 -10.634 11.853 1.00 10.53 N ATOM 1403 CA PRO A 98 -10.761 -11.134 10.513 1.00 52.52 C ATOM 1404 C PRO A 98 -11.130 -10.131 9.417 1.00 10.04 C ATOM 1405 O PRO A 98 -11.757 -9.111 9.693 1.00 60.21 O ATOM 1406 CB PRO A 98 -11.588 -12.429 10.369 1.00 2.04 C ATOM 1407 CG PRO A 98 -12.069 -12.746 11.747 1.00 35.41 C ATOM 1408 CD PRO A 98 -12.199 -11.428 12.454 1.00 72.35 C ATOM 0 HA PRO A 98 -9.689 -11.298 10.408 1.00 52.52 H new ATOM 0 HB2 PRO A 98 -12.424 -12.288 9.684 1.00 2.04 H new ATOM 0 HB3 PRO A 98 -10.981 -13.241 9.968 1.00 2.04 H new ATOM 0 HG2 PRO A 98 -13.025 -13.268 11.716 1.00 35.41 H new ATOM 0 HG3 PRO A 98 -11.366 -13.399 12.265 1.00 35.41 H new ATOM 0 HD2 PRO A 98 -13.176 -10.973 12.288 1.00 72.35 H new ATOM 0 HD3 PRO A 98 -12.075 -11.532 13.532 1.00 72.35 H new ATOM 1416 N TRP A 99 -10.759 -10.439 8.177 1.00 21.24 N ATOM 1417 CA TRP A 99 -10.984 -9.529 7.053 1.00 11.33 C ATOM 1418 C TRP A 99 -12.456 -9.545 6.638 1.00 70.53 C ATOM 1419 O TRP A 99 -13.011 -10.609 6.332 1.00 30.12 O ATOM 1420 CB TRP A 99 -10.098 -9.923 5.861 1.00 5.40 C ATOM 1421 CG TRP A 99 -8.649 -10.118 6.220 1.00 51.24 C ATOM 1422 CD1 TRP A 99 -8.012 -9.671 7.341 1.00 22.31 C ATOM 1423 CD2 TRP A 99 -7.657 -10.813 5.450 1.00 11.20 C ATOM 1424 NE1 TRP A 99 -6.694 -10.051 7.322 1.00 72.13 N ATOM 1425 CE2 TRP A 99 -6.449 -10.749 6.172 1.00 43.01 C ATOM 1426 CE3 TRP A 99 -7.673 -11.486 4.224 1.00 14.44 C ATOM 1427 CZ2 TRP A 99 -5.273 -11.328 5.712 1.00 52.23 C ATOM 1428 CZ3 TRP A 99 -6.502 -12.062 3.766 1.00 2.25 C ATOM 1429 CH2 TRP A 99 -5.316 -11.980 4.508 1.00 3.25 C ATOM 0 H TRP A 99 -10.300 -11.314 7.923 1.00 21.24 H new ATOM 0 HA TRP A 99 -10.720 -8.520 7.370 1.00 11.33 H new ATOM 0 HB2 TRP A 99 -10.482 -10.845 5.424 1.00 5.40 H new ATOM 0 HB3 TRP A 99 -10.172 -9.152 5.094 1.00 5.40 H new ATOM 0 HD1 TRP A 99 -8.479 -9.100 8.130 1.00 22.31 H new ATOM 0 HE1 TRP A 99 -6.008 -9.846 8.048 1.00 72.13 H new ATOM 0 HE3 TRP A 99 -8.583 -11.555 3.646 1.00 14.44 H new ATOM 0 HZ2 TRP A 99 -4.358 -11.266 6.283 1.00 52.23 H new ATOM 0 HZ3 TRP A 99 -6.502 -12.584 2.820 1.00 2.25 H new ATOM 0 HH2 TRP A 99 -4.418 -12.440 4.123 1.00 3.25 H new ATOM 1440 N GLY A 100 -13.086 -8.373 6.643 1.00 23.20 N ATOM 1441 CA GLY A 100 -14.480 -8.259 6.234 1.00 12.10 C ATOM 1442 C GLY A 100 -14.800 -6.897 5.636 1.00 72.24 C ATOM 1443 O GLY A 100 -14.157 -6.482 4.667 1.00 64.45 O ATOM 0 H GLY A 100 -12.654 -7.493 6.925 1.00 23.20 H new ATOM 0 HA2 GLY A 100 -14.706 -9.036 5.503 1.00 12.10 H new ATOM 0 HA3 GLY A 100 -15.124 -8.435 7.096 1.00 12.10 H new ATOM 1447 N PRO A 101 -15.787 -6.164 6.197 1.00 30.41 N ATOM 1448 CA PRO A 101 -16.162 -4.824 5.706 1.00 22.32 C ATOM 1449 C PRO A 101 -15.068 -3.797 5.994 1.00 20.42 C ATOM 1450 O PRO A 101 -15.005 -2.736 5.373 1.00 4.44 O ATOM 1451 CB PRO A 101 -17.443 -4.502 6.493 1.00 22.03 C ATOM 1452 CG PRO A 101 -17.327 -5.307 7.743 1.00 43.54 C ATOM 1453 CD PRO A 101 -16.613 -6.576 7.354 1.00 23.22 C ATOM 0 HA PRO A 101 -16.305 -4.796 4.626 1.00 22.32 H new ATOM 0 HB2 PRO A 101 -17.517 -3.437 6.713 1.00 22.03 H new ATOM 0 HB3 PRO A 101 -18.335 -4.773 5.928 1.00 22.03 H new ATOM 0 HG2 PRO A 101 -16.770 -4.764 8.507 1.00 43.54 H new ATOM 0 HG3 PRO A 101 -18.310 -5.524 8.160 1.00 43.54 H new ATOM 0 HD2 PRO A 101 -16.000 -6.958 8.170 1.00 23.22 H new ATOM 0 HD3 PRO A 101 -17.315 -7.366 7.086 1.00 23.22 H new ATOM 1461 N ASP A 102 -14.205 -4.146 6.940 1.00 50.23 N ATOM 1462 CA ASP A 102 -13.053 -3.326 7.325 1.00 63.03 C ATOM 1463 C ASP A 102 -12.125 -3.062 6.139 1.00 54.35 C ATOM 1464 O ASP A 102 -11.316 -2.132 6.176 1.00 53.30 O ATOM 1465 CB ASP A 102 -12.281 -4.015 8.466 1.00 23.22 C ATOM 1466 CG ASP A 102 -12.351 -5.534 8.382 1.00 1.43 C ATOM 1467 OD1 ASP A 102 -13.326 -6.105 8.925 1.00 52.11 O ATOM 1468 OD2 ASP A 102 -11.476 -6.160 7.751 1.00 5.32 O ATOM 0 H ASP A 102 -14.282 -5.014 7.470 1.00 50.23 H new ATOM 0 HA ASP A 102 -13.426 -2.361 7.669 1.00 63.03 H new ATOM 0 HB2 ASP A 102 -11.238 -3.700 8.437 1.00 23.22 H new ATOM 0 HB3 ASP A 102 -12.686 -3.688 9.424 1.00 23.22 H new ATOM 1473 N LYS A 103 -12.271 -3.855 5.079 1.00 34.42 N ATOM 1474 CA LYS A 103 -11.425 -3.723 3.892 1.00 0.11 C ATOM 1475 C LYS A 103 -11.854 -2.524 3.042 1.00 64.12 C ATOM 1476 O LYS A 103 -11.178 -2.162 2.082 1.00 22.43 O ATOM 1477 CB LYS A 103 -11.478 -5.010 3.051 1.00 74.00 C ATOM 1478 CG LYS A 103 -11.104 -6.273 3.830 1.00 51.43 C ATOM 1479 CD LYS A 103 -11.112 -7.521 2.947 1.00 14.32 C ATOM 1480 CE LYS A 103 -9.957 -7.530 1.948 1.00 25.20 C ATOM 1481 NZ LYS A 103 -8.634 -7.696 2.618 1.00 31.32 N ATOM 0 H LYS A 103 -12.968 -4.597 5.017 1.00 34.42 H new ATOM 0 HA LYS A 103 -10.401 -3.558 4.226 1.00 0.11 H new ATOM 0 HB2 LYS A 103 -12.484 -5.128 2.647 1.00 74.00 H new ATOM 0 HB3 LYS A 103 -10.804 -4.906 2.201 1.00 74.00 H new ATOM 0 HG2 LYS A 103 -10.114 -6.147 4.269 1.00 51.43 H new ATOM 0 HG3 LYS A 103 -11.803 -6.409 4.655 1.00 51.43 H new ATOM 0 HD2 LYS A 103 -11.053 -8.409 3.576 1.00 14.32 H new ATOM 0 HD3 LYS A 103 -12.057 -7.576 2.407 1.00 14.32 H new ATOM 0 HE2 LYS A 103 -10.104 -8.339 1.232 1.00 25.20 H new ATOM 0 HE3 LYS A 103 -9.961 -6.599 1.382 1.00 25.20 H new ATOM 0 HZ1 LYS A 103 -7.999 -6.925 2.329 1.00 31.32 H new ATOM 0 HZ2 LYS A 103 -8.762 -7.671 3.650 1.00 31.32 H new ATOM 0 HZ3 LYS A 103 -8.218 -8.608 2.343 1.00 31.32 H new