USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 967 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 103 MET CE :methyl -130:sc= -0.975 (180deg=-2.32) USER MOD Set 1.2: A 117 MET CE :methyl 177:sc= -0.451 (180deg=-0.451) USER MOD Set 2.1: A 79 TYR OH : rot -75:sc= 2.27 USER MOD Set 2.2: A 106 HIS : no HE2:sc= -0.115 K(o=4.4,f=-3.9!) USER MOD Set 2.3: A 107 CYS SG : rot 58:sc= 2.29 USER MOD Set 3.1: A 93 TYR OH : rot 165:sc= 0.639 USER MOD Set 3.2: A 128 GLN : amide:sc= -0.335 X(o=0.3,f=-0.00064) USER MOD Set 4.1: A 84 LYS NZ :NH3+ 150:sc= 2.01 (180deg=0.342) USER MOD Set 4.2: A 92 THR OG1 : rot 180:sc= 0.79 USER MOD Set 4.3: A 95 ASN : amide:sc= -1.01 K(o=1.8,f=-1!) USER MOD Set 5.1: A 77 TYR OH : rot 180:sc= -0.0277 USER MOD Set 5.2: A 110 ASN :FLIP amide:sc= 1.11 F(o=-2.2!,f=1.1) USER MOD Set 6.1: A 16 TYR OH : rot -130:sc= 1.02 USER MOD Set 6.2: A 133 SER OG : rot 151:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= 1.16 (180deg=-0.438) USER MOD Single : A 24 CYS SG : rot -73:sc= -2.59! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 29 SER OG : rot 180:sc= 0.507 USER MOD Single : A 32 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 33 CYS SG : rot -139:sc= -1.59! USER MOD Single : A 35 SER OG : rot 170:sc= 0.0609 USER MOD Single : A 38 CYS SG : rot 39:sc= 0.292 USER MOD Single : A 40 MET CE :methyl 154:sc= -0.0172 (180deg=-0.818) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.067) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -0.172 (180deg=-0.568) USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= 0.0662 (180deg=-0.0739) USER MOD Single : A 56 GLN : amide:sc=-0.00413 K(o=-0.0041,f=-0.6) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.24 (180deg=0.512) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0.884 (180deg=0.804) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 85 LYS NZ :NH3+ -118:sc= 0.396 (180deg=-0.198) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.56) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0612 (180deg=-0.249) USER MOD Single : A 99 SER OG : rot 78:sc= 1.1 USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 2.12 (180deg=1.16) USER MOD Single : A 105 SER OG : rot 80:sc= 0.154 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -81:sc= 0.987 USER MOD Single : A 131 ASN :FLIP amide:sc= -0.667 F(o=-4.8!,f=-0.67) USER MOD Single : A 135 MET CE :methyl -173:sc= -1.73 (180deg=-1.96) USER MOD Single : A 143 THR OG1 : rot -8:sc= 0.853 USER MOD Single : A 146 LYS NZ :NH3+ 152:sc= -1.26 (180deg=-2.6!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 150:sc= 0.746 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -15.461 -0.387 -0.368 1.00 1.23 N ATOM 126 CA ARG A 13 -14.345 -0.179 0.523 1.00 72.42 C ATOM 127 C ARG A 13 -13.034 -0.231 -0.253 1.00 60.43 C ATOM 128 O ARG A 13 -12.129 0.584 -0.033 1.00 32.24 O ATOM 129 CB ARG A 13 -14.407 -1.119 1.735 1.00 34.42 C ATOM 130 CG ARG A 13 -15.675 -0.872 2.554 1.00 24.32 C ATOM 131 CD ARG A 13 -15.745 -1.669 3.845 1.00 74.22 C ATOM 132 NE ARG A 13 -15.813 -3.128 3.664 1.00 42.14 N ATOM 133 CZ ARG A 13 -16.330 -3.958 4.586 1.00 11.32 C ATOM 134 NH1 ARG A 13 -17.026 -3.461 5.594 1.00 55.31 N ATOM 135 NH2 ARG A 13 -16.216 -5.263 4.461 1.00 60.35 N ATOM 0 HA ARG A 13 -14.404 0.822 0.950 1.00 72.42 H new ATOM 0 HB2 ARG A 13 -14.383 -2.155 1.398 1.00 34.42 H new ATOM 0 HB3 ARG A 13 -13.529 -0.968 2.363 1.00 34.42 H new ATOM 0 HG2 ARG A 13 -15.740 0.190 2.791 1.00 24.32 H new ATOM 0 HG3 ARG A 13 -16.543 -1.116 1.942 1.00 24.32 H new ATOM 0 HD2 ARG A 13 -14.870 -1.432 4.450 1.00 74.22 H new ATOM 0 HD3 ARG A 13 -16.620 -1.345 4.409 1.00 74.22 H new ATOM 0 HE ARG A 13 -15.451 -3.528 2.798 1.00 42.14 H new ATOM 0 HH11 ARG A 13 -17.168 -2.454 5.668 1.00 55.31 H new ATOM 0 HH12 ARG A 13 -17.421 -4.085 6.297 1.00 55.31 H new ATOM 0 HH21 ARG A 13 -15.730 -5.658 3.656 1.00 60.35 H new ATOM 0 HH22 ARG A 13 -16.614 -5.880 5.169 1.00 60.35 H new ATOM 147 N ILE A 14 -12.955 -1.156 -1.180 1.00 24.11 N ATOM 148 CA ILE A 14 -11.860 -1.208 -2.118 1.00 55.13 C ATOM 149 C ILE A 14 -12.388 -0.841 -3.489 1.00 3.03 C ATOM 150 O ILE A 14 -13.347 -1.446 -3.979 1.00 31.50 O ATOM 151 CB ILE A 14 -11.183 -2.602 -2.188 1.00 2.33 C ATOM 152 CG1 ILE A 14 -10.525 -2.941 -0.858 1.00 23.14 C ATOM 153 CG2 ILE A 14 -10.151 -2.649 -3.320 1.00 43.15 C ATOM 154 CD1 ILE A 14 -9.847 -4.277 -0.844 1.00 64.42 C ATOM 0 H ILE A 14 -13.648 -1.894 -1.305 1.00 24.11 H new ATOM 0 HA ILE A 14 -11.099 -0.505 -1.778 1.00 55.13 H new ATOM 0 HB ILE A 14 -11.953 -3.345 -2.395 1.00 2.33 H new ATOM 0 HG12 ILE A 14 -9.793 -2.170 -0.618 1.00 23.14 H new ATOM 0 HG13 ILE A 14 -11.281 -2.919 -0.073 1.00 23.14 H new ATOM 0 HG21 ILE A 14 -9.689 -3.636 -3.350 1.00 43.15 H new ATOM 0 HG22 ILE A 14 -10.645 -2.450 -4.271 1.00 43.15 H new ATOM 0 HG23 ILE A 14 -9.384 -1.894 -3.145 1.00 43.15 H new ATOM 0 HD11 ILE A 14 -9.402 -4.449 0.136 1.00 64.42 H new ATOM 0 HD12 ILE A 14 -10.578 -5.058 -1.052 1.00 64.42 H new ATOM 0 HD13 ILE A 14 -9.067 -4.297 -1.606 1.00 64.42 H new ATOM 161 N THR A 15 -11.798 0.145 -4.077 1.00 34.11 N ATOM 162 CA THR A 15 -12.191 0.587 -5.388 1.00 34.12 C ATOM 163 C THR A 15 -11.209 0.051 -6.428 1.00 62.21 C ATOM 164 O THR A 15 -10.002 0.101 -6.225 1.00 70.32 O ATOM 165 CB THR A 15 -12.241 2.126 -5.435 1.00 33.12 C ATOM 166 OG1 THR A 15 -13.163 2.584 -4.436 1.00 35.55 O ATOM 167 CG2 THR A 15 -12.692 2.629 -6.801 1.00 64.11 C ATOM 0 H THR A 15 -11.027 0.673 -3.668 1.00 34.11 H new ATOM 0 HA THR A 15 -13.186 0.203 -5.613 1.00 34.12 H new ATOM 0 HB THR A 15 -11.239 2.513 -5.248 1.00 33.12 H new ATOM 0 HG1 THR A 15 -13.204 3.563 -4.453 1.00 35.55 H new ATOM 0 HG21 THR A 15 -12.716 3.719 -6.798 1.00 64.11 H new ATOM 0 HG22 THR A 15 -11.995 2.283 -7.564 1.00 64.11 H new ATOM 0 HG23 THR A 15 -13.689 2.245 -7.019 1.00 64.11 H new ATOM 173 N TYR A 16 -11.731 -0.472 -7.505 1.00 3.41 N ATOM 174 CA TYR A 16 -10.927 -1.018 -8.568 1.00 12.41 C ATOM 175 C TYR A 16 -10.936 -0.089 -9.764 1.00 44.34 C ATOM 176 O TYR A 16 -11.987 0.179 -10.348 1.00 62.13 O ATOM 177 CB TYR A 16 -11.439 -2.402 -8.980 1.00 1.10 C ATOM 178 CG TYR A 16 -11.361 -3.443 -7.887 1.00 64.22 C ATOM 179 CD1 TYR A 16 -10.206 -4.178 -7.701 1.00 12.13 C ATOM 180 CD2 TYR A 16 -12.437 -3.690 -7.042 1.00 34.14 C ATOM 181 CE1 TYR A 16 -10.112 -5.128 -6.715 1.00 51.31 C ATOM 182 CE2 TYR A 16 -12.354 -4.642 -6.047 1.00 11.41 C ATOM 183 CZ TYR A 16 -11.188 -5.358 -5.887 1.00 54.13 C ATOM 184 OH TYR A 16 -11.103 -6.317 -4.902 1.00 10.02 O ATOM 0 H TYR A 16 -12.735 -0.532 -7.672 1.00 3.41 H new ATOM 0 HA TYR A 16 -9.905 -1.119 -8.203 1.00 12.41 H new ATOM 0 HB2 TYR A 16 -12.475 -2.311 -9.306 1.00 1.10 H new ATOM 0 HB3 TYR A 16 -10.864 -2.749 -9.838 1.00 1.10 H new ATOM 0 HD1 TYR A 16 -9.358 -4.001 -8.346 1.00 12.13 H new ATOM 0 HD2 TYR A 16 -13.351 -3.128 -7.166 1.00 34.14 H new ATOM 0 HE1 TYR A 16 -9.200 -5.692 -6.589 1.00 51.31 H new ATOM 0 HE2 TYR A 16 -13.198 -4.825 -5.398 1.00 11.41 H new ATOM 0 HH TYR A 16 -11.884 -6.907 -4.952 1.00 10.02 H new ATOM 194 N VAL A 17 -9.784 0.422 -10.103 1.00 52.13 N ATOM 195 CA VAL A 17 -9.633 1.286 -11.250 1.00 3.32 C ATOM 196 C VAL A 17 -8.473 0.801 -12.097 1.00 74.55 C ATOM 197 O VAL A 17 -7.478 0.300 -11.569 1.00 53.33 O ATOM 198 CB VAL A 17 -9.435 2.777 -10.841 1.00 55.44 C ATOM 199 CG1 VAL A 17 -8.202 2.968 -9.984 1.00 54.31 C ATOM 200 CG2 VAL A 17 -9.401 3.700 -12.059 1.00 4.43 C ATOM 0 H VAL A 17 -8.918 0.252 -9.592 1.00 52.13 H new ATOM 0 HA VAL A 17 -10.553 1.241 -11.832 1.00 3.32 H new ATOM 0 HB VAL A 17 -10.301 3.053 -10.239 1.00 55.44 H new ATOM 0 HG11 VAL A 17 -8.101 4.021 -9.721 1.00 54.31 H new ATOM 0 HG12 VAL A 17 -8.295 2.374 -9.075 1.00 54.31 H new ATOM 0 HG13 VAL A 17 -7.320 2.646 -10.538 1.00 54.31 H new ATOM 0 HG21 VAL A 17 -9.262 4.730 -11.731 1.00 4.43 H new ATOM 0 HG22 VAL A 17 -8.576 3.412 -12.711 1.00 4.43 H new ATOM 0 HG23 VAL A 17 -10.341 3.617 -12.605 1.00 4.43 H new ATOM 206 N LYS A 18 -8.619 0.887 -13.389 1.00 1.14 N ATOM 207 CA LYS A 18 -7.572 0.483 -14.276 1.00 4.14 C ATOM 208 C LYS A 18 -6.682 1.635 -14.625 1.00 62.45 C ATOM 209 O LYS A 18 -7.144 2.703 -15.031 1.00 44.02 O ATOM 210 CB LYS A 18 -8.116 -0.203 -15.509 1.00 62.55 C ATOM 211 CG LYS A 18 -8.811 -1.501 -15.174 1.00 13.32 C ATOM 212 CD LYS A 18 -9.421 -2.180 -16.392 1.00 50.13 C ATOM 213 CE LYS A 18 -8.364 -2.635 -17.404 1.00 4.13 C ATOM 214 NZ LYS A 18 -7.392 -3.590 -16.817 1.00 32.13 N ATOM 0 H LYS A 18 -9.459 1.236 -13.851 1.00 1.14 H new ATOM 0 HA LYS A 18 -6.962 -0.251 -13.750 1.00 4.14 H new ATOM 0 HB2 LYS A 18 -8.815 0.462 -16.015 1.00 62.55 H new ATOM 0 HB3 LYS A 18 -7.300 -0.398 -16.205 1.00 62.55 H new ATOM 0 HG2 LYS A 18 -8.097 -2.179 -14.706 1.00 13.32 H new ATOM 0 HG3 LYS A 18 -9.595 -1.309 -14.441 1.00 13.32 H new ATOM 0 HD2 LYS A 18 -10.004 -3.042 -16.069 1.00 50.13 H new ATOM 0 HD3 LYS A 18 -10.112 -1.492 -16.879 1.00 50.13 H new ATOM 0 HE2 LYS A 18 -8.858 -3.102 -18.256 1.00 4.13 H new ATOM 0 HE3 LYS A 18 -7.830 -1.764 -17.783 1.00 4.13 H new ATOM 0 HZ1 LYS A 18 -7.190 -4.345 -17.503 1.00 32.13 H new ATOM 0 HZ2 LYS A 18 -6.511 -3.089 -16.584 1.00 32.13 H new ATOM 0 HZ3 LYS A 18 -7.793 -4.006 -15.952 1.00 32.13 H new ATOM 228 N GLY A 19 -5.428 1.418 -14.452 1.00 63.22 N ATOM 229 CA GLY A 19 -4.445 2.427 -14.704 1.00 12.23 C ATOM 230 C GLY A 19 -3.223 2.215 -13.858 1.00 72.52 C ATOM 231 O GLY A 19 -3.276 1.489 -12.870 1.00 64.41 O ATOM 0 H GLY A 19 -5.045 0.530 -14.129 1.00 63.22 H new ATOM 0 HA2 GLY A 19 -4.168 2.414 -15.758 1.00 12.23 H new ATOM 0 HA3 GLY A 19 -4.868 3.410 -14.498 1.00 12.23 H new ATOM 235 N ASP A 20 -2.125 2.831 -14.252 1.00 72.21 N ATOM 236 CA ASP A 20 -0.857 2.718 -13.537 1.00 62.34 C ATOM 237 C ASP A 20 -0.921 3.497 -12.220 1.00 3.31 C ATOM 238 O ASP A 20 -1.439 4.619 -12.178 1.00 21.32 O ATOM 239 CB ASP A 20 0.268 3.286 -14.393 1.00 20.33 C ATOM 240 CG ASP A 20 1.644 3.050 -13.803 1.00 31.41 C ATOM 241 OD1 ASP A 20 2.252 1.998 -14.092 1.00 4.53 O ATOM 242 OD2 ASP A 20 2.151 3.928 -13.066 1.00 31.42 O ATOM 0 H ASP A 20 -2.082 3.427 -15.079 1.00 72.21 H new ATOM 0 HA ASP A 20 -0.668 1.665 -13.327 1.00 62.34 H new ATOM 0 HB2 ASP A 20 0.223 2.837 -15.385 1.00 20.33 H new ATOM 0 HB3 ASP A 20 0.113 4.357 -14.521 1.00 20.33 H new ATOM 247 N LEU A 21 -0.364 2.928 -11.172 1.00 72.23 N ATOM 248 CA LEU A 21 -0.407 3.524 -9.845 1.00 41.21 C ATOM 249 C LEU A 21 0.358 4.856 -9.765 1.00 74.23 C ATOM 250 O LEU A 21 0.028 5.717 -8.970 1.00 24.14 O ATOM 251 CB LEU A 21 0.110 2.548 -8.794 1.00 21.41 C ATOM 252 CG LEU A 21 0.003 3.003 -7.342 1.00 10.31 C ATOM 253 CD1 LEU A 21 -1.449 3.187 -6.942 1.00 12.24 C ATOM 254 CD2 LEU A 21 0.665 2.012 -6.437 1.00 54.21 C ATOM 0 H LEU A 21 0.133 2.038 -11.212 1.00 72.23 H new ATOM 0 HA LEU A 21 -1.454 3.746 -9.639 1.00 41.21 H new ATOM 0 HB2 LEU A 21 -0.435 1.610 -8.900 1.00 21.41 H new ATOM 0 HB3 LEU A 21 1.157 2.335 -9.010 1.00 21.41 H new ATOM 0 HG LEU A 21 0.511 3.963 -7.247 1.00 10.31 H new ATOM 0 HD11 LEU A 21 -1.502 3.512 -5.903 1.00 12.24 H new ATOM 0 HD12 LEU A 21 -1.910 3.940 -7.581 1.00 12.24 H new ATOM 0 HD13 LEU A 21 -1.980 2.242 -7.054 1.00 12.24 H new ATOM 0 HD21 LEU A 21 0.581 2.350 -5.404 1.00 54.21 H new ATOM 0 HD22 LEU A 21 0.179 1.042 -6.542 1.00 54.21 H new ATOM 0 HD23 LEU A 21 1.718 1.922 -6.705 1.00 54.21 H new ATOM 262 N PHE A 22 1.369 5.036 -10.574 1.00 20.43 N ATOM 263 CA PHE A 22 2.146 6.270 -10.510 1.00 1.31 C ATOM 264 C PHE A 22 1.434 7.437 -11.182 1.00 0.11 C ATOM 265 O PHE A 22 1.907 8.572 -11.152 1.00 43.02 O ATOM 266 CB PHE A 22 3.574 6.073 -11.028 1.00 21.34 C ATOM 267 CG PHE A 22 4.360 5.148 -10.152 1.00 63.40 C ATOM 268 CD1 PHE A 22 4.302 3.775 -10.333 1.00 65.35 C ATOM 269 CD2 PHE A 22 5.137 5.648 -9.122 1.00 75.31 C ATOM 270 CE1 PHE A 22 4.995 2.930 -9.513 1.00 1.33 C ATOM 271 CE2 PHE A 22 5.842 4.801 -8.297 1.00 54.30 C ATOM 272 CZ PHE A 22 5.769 3.441 -8.491 1.00 21.12 C ATOM 0 H PHE A 22 1.679 4.364 -11.277 1.00 20.43 H new ATOM 0 HA PHE A 22 2.232 6.536 -9.457 1.00 1.31 H new ATOM 0 HB2 PHE A 22 3.541 5.674 -12.042 1.00 21.34 H new ATOM 0 HB3 PHE A 22 4.078 7.038 -11.082 1.00 21.34 H new ATOM 0 HD1 PHE A 22 3.701 3.368 -11.133 1.00 65.35 H new ATOM 0 HD2 PHE A 22 5.191 6.715 -8.964 1.00 75.31 H new ATOM 0 HE1 PHE A 22 4.937 1.862 -9.665 1.00 1.33 H new ATOM 0 HE2 PHE A 22 6.450 5.203 -7.500 1.00 54.30 H new ATOM 0 HZ PHE A 22 6.318 2.773 -7.843 1.00 21.12 H new ATOM 282 N ALA A 23 0.276 7.157 -11.751 1.00 42.04 N ATOM 283 CA ALA A 23 -0.535 8.167 -12.397 1.00 45.13 C ATOM 284 C ALA A 23 -1.581 8.744 -11.412 1.00 21.22 C ATOM 285 O ALA A 23 -2.432 9.546 -11.795 1.00 60.21 O ATOM 286 CB ALA A 23 -1.216 7.565 -13.627 1.00 32.44 C ATOM 0 H ALA A 23 -0.128 6.221 -11.777 1.00 42.04 H new ATOM 0 HA ALA A 23 0.106 8.989 -12.715 1.00 45.13 H new ATOM 0 HB1 ALA A 23 -1.827 8.326 -14.113 1.00 32.44 H new ATOM 0 HB2 ALA A 23 -0.458 7.208 -14.324 1.00 32.44 H new ATOM 0 HB3 ALA A 23 -1.849 6.732 -13.321 1.00 32.44 H new ATOM 292 N CYS A 24 -1.489 8.338 -10.145 1.00 54.02 N ATOM 293 CA CYS A 24 -2.428 8.780 -9.101 1.00 42.22 C ATOM 294 C CYS A 24 -2.232 10.240 -8.703 1.00 3.51 C ATOM 295 O CYS A 24 -1.131 10.798 -8.848 1.00 30.44 O ATOM 296 CB CYS A 24 -2.275 7.923 -7.847 1.00 43.35 C ATOM 297 SG CYS A 24 -2.620 6.195 -8.087 1.00 12.01 S ATOM 0 H CYS A 24 -0.769 7.698 -9.810 1.00 54.02 H new ATOM 0 HA CYS A 24 -3.424 8.671 -9.530 1.00 42.22 H new ATOM 0 HB2 CYS A 24 -1.257 8.028 -7.472 1.00 43.35 H new ATOM 0 HB3 CYS A 24 -2.940 8.309 -7.075 1.00 43.35 H new ATOM 0 HG CYS A 24 -3.902 6.023 -8.221 1.00 12.01 H new ATOM 303 N PRO A 25 -3.317 10.880 -8.209 1.00 44.52 N ATOM 304 CA PRO A 25 -3.268 12.227 -7.639 1.00 24.44 C ATOM 305 C PRO A 25 -2.212 12.331 -6.535 1.00 44.45 C ATOM 306 O PRO A 25 -1.994 11.382 -5.769 1.00 4.24 O ATOM 307 CB PRO A 25 -4.663 12.394 -7.033 1.00 44.23 C ATOM 308 CG PRO A 25 -5.525 11.543 -7.882 1.00 11.31 C ATOM 309 CD PRO A 25 -4.698 10.343 -8.200 1.00 52.41 C ATOM 0 HA PRO A 25 -3.008 12.983 -8.379 1.00 24.44 H new ATOM 0 HB2 PRO A 25 -4.687 12.073 -5.992 1.00 44.23 H new ATOM 0 HB3 PRO A 25 -4.985 13.435 -7.053 1.00 44.23 H new ATOM 0 HG2 PRO A 25 -6.440 11.264 -7.359 1.00 11.31 H new ATOM 0 HG3 PRO A 25 -5.824 12.067 -8.790 1.00 11.31 H new ATOM 0 HD2 PRO A 25 -4.821 9.559 -7.453 1.00 52.41 H new ATOM 0 HD3 PRO A 25 -4.969 9.910 -9.163 1.00 52.41 H new ATOM 317 N LYS A 26 -1.569 13.482 -6.456 1.00 11.34 N ATOM 318 CA LYS A 26 -0.491 13.727 -5.479 1.00 65.12 C ATOM 319 C LYS A 26 -0.988 13.662 -4.033 1.00 0.52 C ATOM 320 O LYS A 26 -0.212 13.438 -3.106 1.00 53.31 O ATOM 321 CB LYS A 26 0.190 15.097 -5.716 1.00 13.53 C ATOM 322 CG LYS A 26 -0.670 16.365 -5.450 1.00 15.42 C ATOM 323 CD LYS A 26 -1.768 16.601 -6.495 1.00 2.23 C ATOM 324 CE LYS A 26 -1.174 16.917 -7.864 1.00 75.20 C ATOM 325 NZ LYS A 26 -2.211 17.133 -8.891 1.00 61.20 N ATOM 0 H LYS A 26 -1.769 14.279 -7.060 1.00 11.34 H new ATOM 0 HA LYS A 26 0.235 12.929 -5.632 1.00 65.12 H new ATOM 0 HB2 LYS A 26 1.076 15.149 -5.084 1.00 13.53 H new ATOM 0 HB3 LYS A 26 0.534 15.131 -6.750 1.00 13.53 H new ATOM 0 HG2 LYS A 26 -1.131 16.280 -4.466 1.00 15.42 H new ATOM 0 HG3 LYS A 26 -0.016 17.236 -5.421 1.00 15.42 H new ATOM 0 HD2 LYS A 26 -2.401 15.716 -6.567 1.00 2.23 H new ATOM 0 HD3 LYS A 26 -2.406 17.424 -6.175 1.00 2.23 H new ATOM 0 HE2 LYS A 26 -0.550 17.807 -7.789 1.00 75.20 H new ATOM 0 HE3 LYS A 26 -0.525 16.098 -8.173 1.00 75.20 H new ATOM 0 HZ1 LYS A 26 -1.758 17.344 -9.803 1.00 61.20 H new ATOM 0 HZ2 LYS A 26 -2.792 16.275 -8.984 1.00 61.20 H new ATOM 0 HZ3 LYS A 26 -2.815 17.932 -8.611 1.00 61.20 H new ATOM 339 N THR A 27 -2.259 13.855 -3.868 1.00 11.05 N ATOM 340 CA THR A 27 -2.896 13.911 -2.571 1.00 74.33 C ATOM 341 C THR A 27 -3.159 12.527 -1.939 1.00 72.35 C ATOM 342 O THR A 27 -3.408 12.427 -0.730 1.00 53.44 O ATOM 343 CB THR A 27 -4.195 14.715 -2.685 1.00 71.12 C ATOM 344 OG1 THR A 27 -4.897 14.285 -3.865 1.00 61.02 O ATOM 345 CG2 THR A 27 -3.905 16.206 -2.781 1.00 55.33 C ATOM 0 H THR A 27 -2.907 13.982 -4.645 1.00 11.05 H new ATOM 0 HA THR A 27 -2.200 14.405 -1.894 1.00 74.33 H new ATOM 0 HB THR A 27 -4.801 14.543 -1.795 1.00 71.12 H new ATOM 0 HG1 THR A 27 -5.733 14.790 -3.951 1.00 61.02 H new ATOM 0 HG21 THR A 27 -4.843 16.755 -2.861 1.00 55.33 H new ATOM 0 HG22 THR A 27 -3.370 16.531 -1.889 1.00 55.33 H new ATOM 0 HG23 THR A 27 -3.294 16.402 -3.662 1.00 55.33 H new ATOM 351 N ASP A 28 -3.100 11.474 -2.733 1.00 4.13 N ATOM 352 CA ASP A 28 -3.309 10.121 -2.200 1.00 53.12 C ATOM 353 C ASP A 28 -1.983 9.522 -1.797 1.00 74.34 C ATOM 354 O ASP A 28 -0.981 9.743 -2.461 1.00 4.51 O ATOM 355 CB ASP A 28 -3.966 9.183 -3.232 1.00 31.05 C ATOM 356 CG ASP A 28 -5.358 9.585 -3.656 1.00 1.51 C ATOM 357 OD1 ASP A 28 -6.314 9.391 -2.875 1.00 3.32 O ATOM 358 OD2 ASP A 28 -5.531 10.052 -4.800 1.00 43.31 O ATOM 0 H ASP A 28 -2.913 11.516 -3.735 1.00 4.13 H new ATOM 0 HA ASP A 28 -3.975 10.215 -1.342 1.00 53.12 H new ATOM 0 HB2 ASP A 28 -3.331 9.137 -4.117 1.00 31.05 H new ATOM 0 HB3 ASP A 28 -4.005 8.177 -2.815 1.00 31.05 H new ATOM 363 N SER A 29 -1.956 8.786 -0.725 1.00 71.45 N ATOM 364 CA SER A 29 -0.737 8.109 -0.331 1.00 34.22 C ATOM 365 C SER A 29 -0.592 6.780 -1.089 1.00 42.33 C ATOM 366 O SER A 29 -1.553 6.291 -1.693 1.00 13.34 O ATOM 367 CB SER A 29 -0.688 7.908 1.182 1.00 43.44 C ATOM 368 OG SER A 29 -0.625 9.164 1.851 1.00 61.11 O ATOM 0 H SER A 29 -2.753 8.634 -0.106 1.00 71.45 H new ATOM 0 HA SER A 29 0.112 8.738 -0.599 1.00 34.22 H new ATOM 0 HB2 SER A 29 -1.570 7.358 1.510 1.00 43.44 H new ATOM 0 HB3 SER A 29 0.180 7.305 1.447 1.00 43.44 H new ATOM 0 HG SER A 29 -0.596 9.018 2.820 1.00 61.11 H new ATOM 374 N LEU A 30 0.593 6.212 -1.040 1.00 61.10 N ATOM 375 CA LEU A 30 0.932 5.022 -1.797 1.00 24.30 C ATOM 376 C LEU A 30 1.353 3.895 -0.873 1.00 1.04 C ATOM 377 O LEU A 30 2.053 4.120 0.104 1.00 74.34 O ATOM 378 CB LEU A 30 2.082 5.363 -2.755 1.00 2.12 C ATOM 379 CG LEU A 30 1.752 6.345 -3.892 1.00 33.41 C ATOM 380 CD1 LEU A 30 3.027 6.904 -4.516 1.00 51.30 C ATOM 381 CD2 LEU A 30 0.985 5.607 -4.960 1.00 32.44 C ATOM 0 H LEU A 30 1.359 6.566 -0.467 1.00 61.10 H new ATOM 0 HA LEU A 30 0.057 4.691 -2.356 1.00 24.30 H new ATOM 0 HB2 LEU A 30 2.902 5.779 -2.170 1.00 2.12 H new ATOM 0 HB3 LEU A 30 2.445 4.436 -3.198 1.00 2.12 H new ATOM 0 HG LEU A 30 1.166 7.168 -3.483 1.00 33.41 H new ATOM 0 HD11 LEU A 30 2.767 7.596 -5.317 1.00 51.30 H new ATOM 0 HD12 LEU A 30 3.604 7.430 -3.755 1.00 51.30 H new ATOM 0 HD13 LEU A 30 3.622 6.086 -4.922 1.00 51.30 H new ATOM 0 HD21 LEU A 30 0.744 6.291 -5.773 1.00 32.44 H new ATOM 0 HD22 LEU A 30 1.592 4.787 -5.343 1.00 32.44 H new ATOM 0 HD23 LEU A 30 0.063 5.208 -4.536 1.00 32.44 H new ATOM 389 N ALA A 31 0.933 2.696 -1.177 1.00 21.42 N ATOM 390 CA ALA A 31 1.315 1.533 -0.399 1.00 1.53 C ATOM 391 C ALA A 31 1.693 0.412 -1.322 1.00 62.04 C ATOM 392 O ALA A 31 1.244 0.369 -2.468 1.00 10.12 O ATOM 393 CB ALA A 31 0.192 1.086 0.514 1.00 14.25 C ATOM 0 H ALA A 31 0.319 2.491 -1.966 1.00 21.42 H new ATOM 0 HA ALA A 31 2.168 1.805 0.223 1.00 1.53 H new ATOM 0 HB1 ALA A 31 0.511 0.213 1.083 1.00 14.25 H new ATOM 0 HB2 ALA A 31 -0.062 1.893 1.201 1.00 14.25 H new ATOM 0 HB3 ALA A 31 -0.683 0.830 -0.084 1.00 14.25 H new ATOM 399 N HIS A 32 2.538 -0.482 -0.848 1.00 41.14 N ATOM 400 CA HIS A 32 2.938 -1.630 -1.624 1.00 31.31 C ATOM 401 C HIS A 32 3.536 -2.714 -0.757 1.00 54.44 C ATOM 402 O HIS A 32 3.869 -2.487 0.408 1.00 61.15 O ATOM 403 CB HIS A 32 3.884 -1.270 -2.792 1.00 23.53 C ATOM 404 CG HIS A 32 5.173 -0.612 -2.402 1.00 24.40 C ATOM 405 ND1 HIS A 32 6.401 -1.234 -2.514 1.00 72.41 N ATOM 406 CD2 HIS A 32 5.431 0.648 -1.980 1.00 44.13 C ATOM 407 CE1 HIS A 32 7.342 -0.394 -2.191 1.00 30.21 C ATOM 408 NE2 HIS A 32 6.784 0.757 -1.859 1.00 70.43 N ATOM 0 H HIS A 32 2.961 -0.431 0.079 1.00 41.14 H new ATOM 0 HA HIS A 32 2.023 -2.020 -2.070 1.00 31.31 H new ATOM 0 HB2 HIS A 32 4.114 -2.182 -3.343 1.00 23.53 H new ATOM 0 HB3 HIS A 32 3.352 -0.609 -3.476 1.00 23.53 H new ATOM 0 HD2 HIS A 32 4.703 1.420 -1.778 1.00 44.13 H new ATOM 0 HE1 HIS A 32 8.402 -0.603 -2.194 1.00 30.21 H new ATOM 0 HE2 HIS A 32 7.286 1.593 -1.560 1.00 70.43 H new ATOM 417 N CYS A 33 3.684 -3.857 -1.348 1.00 4.43 N ATOM 418 CA CYS A 33 4.169 -5.042 -0.703 1.00 70.21 C ATOM 419 C CYS A 33 5.648 -5.267 -1.013 1.00 71.44 C ATOM 420 O CYS A 33 6.096 -4.990 -2.136 1.00 33.42 O ATOM 421 CB CYS A 33 3.325 -6.209 -1.227 1.00 43.02 C ATOM 422 SG CYS A 33 3.859 -7.845 -0.757 1.00 75.51 S ATOM 0 H CYS A 33 3.462 -3.999 -2.333 1.00 4.43 H new ATOM 0 HA CYS A 33 4.083 -4.953 0.380 1.00 70.21 H new ATOM 0 HB2 CYS A 33 2.300 -6.072 -0.882 1.00 43.02 H new ATOM 0 HB3 CYS A 33 3.305 -6.155 -2.315 1.00 43.02 H new ATOM 0 HG CYS A 33 3.735 -8.650 -1.770 1.00 75.51 H new ATOM 428 N ILE A 34 6.401 -5.696 0.008 1.00 74.04 N ATOM 429 CA ILE A 34 7.803 -6.123 -0.109 1.00 61.42 C ATOM 430 C ILE A 34 8.079 -7.159 0.969 1.00 33.12 C ATOM 431 O ILE A 34 7.224 -7.408 1.818 1.00 43.42 O ATOM 432 CB ILE A 34 8.864 -4.988 0.019 1.00 62.04 C ATOM 433 CG1 ILE A 34 8.745 -4.236 1.338 1.00 64.32 C ATOM 434 CG2 ILE A 34 8.829 -4.034 -1.165 1.00 14.32 C ATOM 435 CD1 ILE A 34 9.839 -3.222 1.521 1.00 43.24 C ATOM 0 H ILE A 34 6.044 -5.758 0.962 1.00 74.04 H new ATOM 0 HA ILE A 34 7.909 -6.515 -1.121 1.00 61.42 H new ATOM 0 HB ILE A 34 9.838 -5.478 0.012 1.00 62.04 H new ATOM 0 HG12 ILE A 34 7.778 -3.735 1.381 1.00 64.32 H new ATOM 0 HG13 ILE A 34 8.772 -4.948 2.163 1.00 64.32 H new ATOM 0 HG21 ILE A 34 9.585 -3.260 -1.031 1.00 14.32 H new ATOM 0 HG22 ILE A 34 9.032 -4.586 -2.083 1.00 14.32 H new ATOM 0 HG23 ILE A 34 7.844 -3.571 -1.230 1.00 14.32 H new ATOM 0 HD11 ILE A 34 9.708 -2.714 2.476 1.00 43.24 H new ATOM 0 HD12 ILE A 34 10.806 -3.724 1.507 1.00 43.24 H new ATOM 0 HD13 ILE A 34 9.797 -2.492 0.713 1.00 43.24 H new ATOM 442 N SER A 35 9.240 -7.753 0.947 1.00 65.24 N ATOM 443 CA SER A 35 9.595 -8.752 1.936 1.00 63.21 C ATOM 444 C SER A 35 10.342 -8.105 3.127 1.00 24.32 C ATOM 445 O SER A 35 10.708 -6.930 3.069 1.00 5.32 O ATOM 446 CB SER A 35 10.454 -9.829 1.272 1.00 74.21 C ATOM 447 OG SER A 35 11.578 -9.246 0.609 1.00 33.35 O ATOM 0 H SER A 35 9.965 -7.566 0.254 1.00 65.24 H new ATOM 0 HA SER A 35 8.687 -9.209 2.330 1.00 63.21 H new ATOM 0 HB2 SER A 35 10.798 -10.540 2.023 1.00 74.21 H new ATOM 0 HB3 SER A 35 9.853 -10.388 0.555 1.00 74.21 H new ATOM 0 HG SER A 35 12.197 -9.953 0.331 1.00 33.35 H new ATOM 453 N GLU A 36 10.572 -8.891 4.180 1.00 52.24 N ATOM 454 CA GLU A 36 11.274 -8.454 5.404 1.00 32.45 C ATOM 455 C GLU A 36 12.702 -8.066 5.092 1.00 54.34 C ATOM 456 O GLU A 36 13.239 -7.107 5.645 1.00 52.31 O ATOM 457 CB GLU A 36 11.263 -9.594 6.412 1.00 3.42 C ATOM 458 CG GLU A 36 11.844 -9.269 7.771 1.00 20.22 C ATOM 459 CD GLU A 36 11.805 -10.456 8.705 1.00 12.22 C ATOM 460 OE1 GLU A 36 10.730 -10.726 9.309 1.00 11.15 O ATOM 461 OE2 GLU A 36 12.847 -11.149 8.855 1.00 73.23 O ATOM 0 H GLU A 36 10.274 -9.866 4.214 1.00 52.24 H new ATOM 0 HA GLU A 36 10.764 -7.583 5.816 1.00 32.45 H new ATOM 0 HB2 GLU A 36 10.234 -9.927 6.547 1.00 3.42 H new ATOM 0 HB3 GLU A 36 11.817 -10.433 5.991 1.00 3.42 H new ATOM 0 HG2 GLU A 36 12.875 -8.935 7.653 1.00 20.22 H new ATOM 0 HG3 GLU A 36 11.289 -8.442 8.214 1.00 20.22 H new ATOM 468 N ASP A 37 13.298 -8.799 4.173 1.00 43.54 N ATOM 469 CA ASP A 37 14.681 -8.559 3.751 1.00 62.45 C ATOM 470 C ASP A 37 14.747 -7.266 2.915 1.00 71.00 C ATOM 471 O ASP A 37 15.818 -6.806 2.527 1.00 44.31 O ATOM 472 CB ASP A 37 15.186 -9.772 2.939 1.00 53.41 C ATOM 473 CG ASP A 37 16.667 -9.714 2.594 1.00 62.41 C ATOM 474 OD1 ASP A 37 17.032 -9.144 1.571 1.00 22.23 O ATOM 475 OD2 ASP A 37 17.482 -10.272 3.341 1.00 53.14 O ATOM 0 H ASP A 37 12.847 -9.578 3.693 1.00 43.54 H new ATOM 0 HA ASP A 37 15.323 -8.436 4.624 1.00 62.45 H new ATOM 0 HB2 ASP A 37 14.991 -10.682 3.506 1.00 53.41 H new ATOM 0 HB3 ASP A 37 14.611 -9.843 2.016 1.00 53.41 H new ATOM 480 N CYS A 38 13.565 -6.690 2.659 1.00 44.42 N ATOM 481 CA CYS A 38 13.395 -5.457 1.911 1.00 31.02 C ATOM 482 C CYS A 38 13.804 -5.651 0.463 1.00 2.44 C ATOM 483 O CYS A 38 14.353 -4.754 -0.170 1.00 62.32 O ATOM 484 CB CYS A 38 14.161 -4.303 2.574 1.00 51.23 C ATOM 485 SG CYS A 38 13.691 -4.018 4.302 1.00 0.44 S ATOM 0 H CYS A 38 12.682 -7.087 2.979 1.00 44.42 H new ATOM 0 HA CYS A 38 12.339 -5.188 1.920 1.00 31.02 H new ATOM 0 HB2 CYS A 38 15.230 -4.513 2.527 1.00 51.23 H new ATOM 0 HB3 CYS A 38 13.990 -3.390 2.004 1.00 51.23 H new ATOM 0 HG CYS A 38 13.496 -5.160 4.892 1.00 0.44 H new ATOM 491 N ARG A 39 13.535 -6.834 -0.056 1.00 41.50 N ATOM 492 CA ARG A 39 13.766 -7.104 -1.449 1.00 51.21 C ATOM 493 C ARG A 39 12.497 -6.826 -2.190 1.00 2.35 C ATOM 494 O ARG A 39 11.426 -7.346 -1.817 1.00 51.50 O ATOM 495 CB ARG A 39 14.179 -8.552 -1.697 1.00 42.11 C ATOM 496 CG ARG A 39 15.460 -8.968 -1.026 1.00 62.14 C ATOM 497 CD ARG A 39 15.845 -10.385 -1.418 1.00 63.11 C ATOM 498 NE ARG A 39 16.110 -10.486 -2.855 1.00 50.14 N ATOM 499 CZ ARG A 39 16.233 -11.617 -3.552 1.00 14.22 C ATOM 500 NH1 ARG A 39 16.060 -12.798 -2.967 1.00 5.24 N ATOM 501 NH2 ARG A 39 16.511 -11.556 -4.841 1.00 41.03 N ATOM 0 H ARG A 39 13.156 -7.620 0.473 1.00 41.50 H new ATOM 0 HA ARG A 39 14.582 -6.468 -1.793 1.00 51.21 H new ATOM 0 HB2 ARG A 39 13.377 -9.207 -1.356 1.00 42.11 H new ATOM 0 HB3 ARG A 39 14.281 -8.707 -2.771 1.00 42.11 H new ATOM 0 HG2 ARG A 39 16.259 -8.281 -1.302 1.00 62.14 H new ATOM 0 HG3 ARG A 39 15.345 -8.905 0.056 1.00 62.14 H new ATOM 0 HD2 ARG A 39 16.730 -10.691 -0.860 1.00 63.11 H new ATOM 0 HD3 ARG A 39 15.043 -11.071 -1.145 1.00 63.11 H new ATOM 0 HE ARG A 39 16.210 -9.611 -3.370 1.00 50.14 H new ATOM 0 HH11 ARG A 39 15.830 -12.847 -1.974 1.00 5.24 H new ATOM 0 HH12 ARG A 39 16.157 -13.656 -3.511 1.00 5.24 H new ATOM 0 HH21 ARG A 39 16.630 -10.650 -5.295 1.00 41.03 H new ATOM 0 HH22 ARG A 39 16.607 -12.415 -5.383 1.00 41.03 H new ATOM 513 N MET A 40 12.592 -6.013 -3.203 1.00 34.11 N ATOM 514 CA MET A 40 11.446 -5.663 -3.995 1.00 63.53 C ATOM 515 C MET A 40 11.261 -6.657 -5.123 1.00 30.11 C ATOM 516 O MET A 40 10.159 -6.825 -5.639 1.00 74.12 O ATOM 517 CB MET A 40 11.576 -4.229 -4.545 1.00 63.35 C ATOM 518 CG MET A 40 11.558 -3.125 -3.481 1.00 3.13 C ATOM 519 SD MET A 40 13.001 -3.120 -2.398 1.00 4.14 S ATOM 520 CE MET A 40 12.539 -1.853 -1.220 1.00 21.52 C ATOM 0 H MET A 40 13.463 -5.575 -3.503 1.00 34.11 H new ATOM 0 HA MET A 40 10.563 -5.698 -3.356 1.00 63.53 H new ATOM 0 HB2 MET A 40 12.506 -4.155 -5.109 1.00 63.35 H new ATOM 0 HB3 MET A 40 10.762 -4.050 -5.247 1.00 63.35 H new ATOM 0 HG2 MET A 40 11.487 -2.158 -3.978 1.00 3.13 H new ATOM 0 HG3 MET A 40 10.661 -3.237 -2.872 1.00 3.13 H new ATOM 0 HE1 MET A 40 13.050 -2.032 -0.274 1.00 21.52 H new ATOM 0 HE2 MET A 40 12.825 -0.875 -1.607 1.00 21.52 H new ATOM 0 HE3 MET A 40 11.461 -1.880 -1.061 1.00 21.52 H new ATOM 530 N GLY A 41 12.344 -7.323 -5.482 1.00 74.00 N ATOM 531 CA GLY A 41 12.327 -8.364 -6.485 1.00 72.32 C ATOM 532 C GLY A 41 12.189 -7.829 -7.893 1.00 2.01 C ATOM 533 O GLY A 41 13.138 -7.893 -8.692 1.00 23.14 O ATOM 0 H GLY A 41 13.266 -7.152 -5.080 1.00 74.00 H new ATOM 0 HA2 GLY A 41 13.246 -8.946 -6.412 1.00 72.32 H new ATOM 0 HA3 GLY A 41 11.501 -9.045 -6.279 1.00 72.32 H new ATOM 537 N ALA A 42 11.035 -7.279 -8.166 1.00 3.44 N ATOM 538 CA ALA A 42 10.644 -6.773 -9.479 1.00 64.31 C ATOM 539 C ALA A 42 9.227 -6.199 -9.380 1.00 65.42 C ATOM 540 O ALA A 42 8.723 -5.967 -8.270 1.00 30.14 O ATOM 541 CB ALA A 42 10.681 -7.903 -10.521 1.00 5.53 C ATOM 0 H ALA A 42 10.306 -7.161 -7.462 1.00 3.44 H new ATOM 0 HA ALA A 42 11.340 -5.996 -9.794 1.00 64.31 H new ATOM 0 HB1 ALA A 42 10.387 -7.510 -11.494 1.00 5.53 H new ATOM 0 HB2 ALA A 42 11.691 -8.308 -10.583 1.00 5.53 H new ATOM 0 HB3 ALA A 42 9.991 -8.693 -10.225 1.00 5.53 H new ATOM 547 N GLY A 43 8.616 -5.940 -10.516 1.00 24.43 N ATOM 548 CA GLY A 43 7.238 -5.502 -10.555 1.00 12.52 C ATOM 549 C GLY A 43 7.013 -4.106 -10.012 1.00 50.44 C ATOM 550 O GLY A 43 7.772 -3.177 -10.303 1.00 63.21 O ATOM 0 H GLY A 43 9.057 -6.026 -11.432 1.00 24.43 H new ATOM 0 HA2 GLY A 43 6.886 -5.540 -11.586 1.00 12.52 H new ATOM 0 HA3 GLY A 43 6.629 -6.204 -9.985 1.00 12.52 H new ATOM 554 N ILE A 44 5.958 -3.963 -9.243 1.00 15.03 N ATOM 555 CA ILE A 44 5.556 -2.684 -8.682 1.00 20.11 C ATOM 556 C ILE A 44 6.509 -2.197 -7.578 1.00 42.11 C ATOM 557 O ILE A 44 6.775 -0.994 -7.456 1.00 14.14 O ATOM 558 CB ILE A 44 4.075 -2.716 -8.167 1.00 31.31 C ATOM 559 CG1 ILE A 44 3.663 -1.393 -7.532 1.00 34.23 C ATOM 560 CG2 ILE A 44 3.830 -3.858 -7.206 1.00 61.55 C ATOM 561 CD1 ILE A 44 3.612 -0.230 -8.483 1.00 64.14 C ATOM 0 H ILE A 44 5.346 -4.736 -8.984 1.00 15.03 H new ATOM 0 HA ILE A 44 5.615 -1.963 -9.497 1.00 20.11 H new ATOM 0 HB ILE A 44 3.452 -2.878 -9.047 1.00 31.31 H new ATOM 0 HG12 ILE A 44 2.681 -1.515 -7.075 1.00 34.23 H new ATOM 0 HG13 ILE A 44 4.361 -1.158 -6.729 1.00 34.23 H new ATOM 0 HG21 ILE A 44 2.791 -3.840 -6.876 1.00 61.55 H new ATOM 0 HG22 ILE A 44 4.035 -4.805 -7.706 1.00 61.55 H new ATOM 0 HG23 ILE A 44 4.487 -3.754 -6.342 1.00 61.55 H new ATOM 0 HD11 ILE A 44 3.310 0.668 -7.944 1.00 64.14 H new ATOM 0 HD12 ILE A 44 4.598 -0.075 -8.922 1.00 64.14 H new ATOM 0 HD13 ILE A 44 2.891 -0.438 -9.274 1.00 64.14 H new ATOM 568 N ALA A 45 7.036 -3.117 -6.796 1.00 65.11 N ATOM 569 CA ALA A 45 7.884 -2.749 -5.684 1.00 52.43 C ATOM 570 C ALA A 45 9.176 -2.071 -6.141 1.00 41.44 C ATOM 571 O ALA A 45 9.642 -1.131 -5.491 1.00 23.11 O ATOM 572 CB ALA A 45 8.145 -3.933 -4.772 1.00 23.23 C ATOM 0 H ALA A 45 6.892 -4.120 -6.910 1.00 65.11 H new ATOM 0 HA ALA A 45 7.343 -2.006 -5.098 1.00 52.43 H new ATOM 0 HB1 ALA A 45 8.785 -3.622 -3.947 1.00 23.23 H new ATOM 0 HB2 ALA A 45 7.199 -4.304 -4.378 1.00 23.23 H new ATOM 0 HB3 ALA A 45 8.638 -4.725 -5.336 1.00 23.23 H new ATOM 578 N VAL A 46 9.739 -2.517 -7.265 1.00 4.53 N ATOM 579 CA VAL A 46 10.954 -1.883 -7.775 1.00 33.13 C ATOM 580 C VAL A 46 10.665 -0.501 -8.336 1.00 15.13 C ATOM 581 O VAL A 46 11.494 0.383 -8.245 1.00 61.44 O ATOM 582 CB VAL A 46 11.761 -2.732 -8.799 1.00 25.43 C ATOM 583 CG1 VAL A 46 12.273 -4.003 -8.162 1.00 41.45 C ATOM 584 CG2 VAL A 46 10.948 -3.035 -10.047 1.00 41.23 C ATOM 0 H VAL A 46 9.385 -3.292 -7.826 1.00 4.53 H new ATOM 0 HA VAL A 46 11.600 -1.793 -6.902 1.00 33.13 H new ATOM 0 HB VAL A 46 12.620 -2.137 -9.110 1.00 25.43 H new ATOM 0 HG11 VAL A 46 12.834 -4.579 -8.898 1.00 41.45 H new ATOM 0 HG12 VAL A 46 12.924 -3.753 -7.324 1.00 41.45 H new ATOM 0 HG13 VAL A 46 11.431 -4.595 -7.803 1.00 41.45 H new ATOM 0 HG21 VAL A 46 11.548 -3.629 -10.736 1.00 41.23 H new ATOM 0 HG22 VAL A 46 10.053 -3.592 -9.772 1.00 41.23 H new ATOM 0 HG23 VAL A 46 10.660 -2.101 -10.529 1.00 41.23 H new ATOM 590 N LEU A 47 9.475 -0.317 -8.895 1.00 15.34 N ATOM 591 CA LEU A 47 9.059 0.984 -9.418 1.00 73.00 C ATOM 592 C LEU A 47 9.121 2.046 -8.324 1.00 15.23 C ATOM 593 O LEU A 47 9.580 3.174 -8.559 1.00 24.03 O ATOM 594 CB LEU A 47 7.658 0.900 -10.021 1.00 32.43 C ATOM 595 CG LEU A 47 7.519 0.071 -11.297 1.00 73.13 C ATOM 596 CD1 LEU A 47 6.061 -0.062 -11.680 1.00 71.33 C ATOM 597 CD2 LEU A 47 8.269 0.743 -12.431 1.00 33.45 C ATOM 0 H LEU A 47 8.777 -1.053 -8.999 1.00 15.34 H new ATOM 0 HA LEU A 47 9.749 1.274 -10.210 1.00 73.00 H new ATOM 0 HB2 LEU A 47 6.986 0.486 -9.269 1.00 32.43 H new ATOM 0 HB3 LEU A 47 7.315 1.913 -10.232 1.00 32.43 H new ATOM 0 HG LEU A 47 7.936 -0.919 -11.114 1.00 73.13 H new ATOM 0 HD11 LEU A 47 5.977 -0.655 -12.591 1.00 71.33 H new ATOM 0 HD12 LEU A 47 5.517 -0.555 -10.874 1.00 71.33 H new ATOM 0 HD13 LEU A 47 5.638 0.928 -11.851 1.00 71.33 H new ATOM 0 HD21 LEU A 47 8.166 0.148 -13.338 1.00 33.45 H new ATOM 0 HD22 LEU A 47 7.857 1.737 -12.601 1.00 33.45 H new ATOM 0 HD23 LEU A 47 9.324 0.828 -12.170 1.00 33.45 H new ATOM 605 N PHE A 48 8.683 1.679 -7.134 1.00 63.45 N ATOM 606 CA PHE A 48 8.798 2.562 -5.990 1.00 13.00 C ATOM 607 C PHE A 48 10.249 2.678 -5.550 1.00 53.40 C ATOM 608 O PHE A 48 10.683 3.725 -5.164 1.00 53.21 O ATOM 609 CB PHE A 48 7.952 2.083 -4.811 1.00 70.24 C ATOM 610 CG PHE A 48 6.464 2.257 -4.944 1.00 43.44 C ATOM 611 CD1 PHE A 48 5.850 3.427 -4.517 1.00 55.12 C ATOM 612 CD2 PHE A 48 5.672 1.249 -5.445 1.00 73.15 C ATOM 613 CE1 PHE A 48 4.502 3.574 -4.592 1.00 24.33 C ATOM 614 CE2 PHE A 48 4.308 1.411 -5.526 1.00 4.31 C ATOM 615 CZ PHE A 48 3.729 2.574 -5.095 1.00 54.32 C ATOM 0 H PHE A 48 8.246 0.779 -6.935 1.00 63.45 H new ATOM 0 HA PHE A 48 8.428 3.538 -6.303 1.00 13.00 H new ATOM 0 HB2 PHE A 48 8.160 1.025 -4.648 1.00 70.24 H new ATOM 0 HB3 PHE A 48 8.280 2.613 -3.917 1.00 70.24 H new ATOM 0 HD1 PHE A 48 6.452 4.231 -4.120 1.00 55.12 H new ATOM 0 HD2 PHE A 48 6.124 0.326 -5.776 1.00 73.15 H new ATOM 0 HE1 PHE A 48 4.041 4.489 -4.251 1.00 24.33 H new ATOM 0 HE2 PHE A 48 3.694 0.620 -5.930 1.00 4.31 H new ATOM 0 HZ PHE A 48 2.658 2.698 -5.154 1.00 54.32 H new ATOM 625 N LYS A 49 10.982 1.584 -5.651 1.00 43.13 N ATOM 626 CA LYS A 49 12.385 1.505 -5.218 1.00 71.25 C ATOM 627 C LYS A 49 13.276 2.557 -5.914 1.00 14.43 C ATOM 628 O LYS A 49 14.128 3.164 -5.273 1.00 1.55 O ATOM 629 CB LYS A 49 12.908 0.079 -5.453 1.00 21.11 C ATOM 630 CG LYS A 49 14.332 -0.198 -5.002 1.00 40.31 C ATOM 631 CD LYS A 49 14.668 -1.675 -5.208 1.00 51.11 C ATOM 632 CE LYS A 49 16.083 -2.019 -4.764 1.00 13.54 C ATOM 633 NZ LYS A 49 17.104 -1.322 -5.568 1.00 14.35 N ATOM 0 H LYS A 49 10.626 0.710 -6.039 1.00 43.13 H new ATOM 0 HA LYS A 49 12.429 1.734 -4.153 1.00 71.25 H new ATOM 0 HB2 LYS A 49 12.245 -0.618 -4.940 1.00 21.11 H new ATOM 0 HB3 LYS A 49 12.838 -0.140 -6.518 1.00 21.11 H new ATOM 0 HG2 LYS A 49 15.028 0.424 -5.565 1.00 40.31 H new ATOM 0 HG3 LYS A 49 14.447 0.066 -3.951 1.00 40.31 H new ATOM 0 HD2 LYS A 49 13.958 -2.287 -4.652 1.00 51.11 H new ATOM 0 HD3 LYS A 49 14.550 -1.928 -6.262 1.00 51.11 H new ATOM 0 HE2 LYS A 49 16.207 -1.754 -3.714 1.00 13.54 H new ATOM 0 HE3 LYS A 49 16.235 -3.096 -4.841 1.00 13.54 H new ATOM 0 HZ1 LYS A 49 18.047 -1.687 -5.323 1.00 14.35 H new ATOM 0 HZ2 LYS A 49 16.921 -1.485 -6.579 1.00 14.35 H new ATOM 0 HZ3 LYS A 49 17.065 -0.302 -5.370 1.00 14.35 H new ATOM 647 N LYS A 50 13.087 2.760 -7.220 1.00 63.00 N ATOM 648 CA LYS A 50 13.846 3.778 -7.946 1.00 71.23 C ATOM 649 C LYS A 50 13.452 5.195 -7.526 1.00 32.21 C ATOM 650 O LYS A 50 14.306 6.071 -7.349 1.00 5.34 O ATOM 651 CB LYS A 50 13.672 3.680 -9.477 1.00 4.03 C ATOM 652 CG LYS A 50 14.344 2.517 -10.220 1.00 10.14 C ATOM 653 CD LYS A 50 13.765 1.173 -9.876 1.00 21.40 C ATOM 654 CE LYS A 50 14.324 0.079 -10.767 1.00 22.33 C ATOM 655 NZ LYS A 50 14.015 0.321 -12.198 1.00 54.10 N ATOM 0 H LYS A 50 12.422 2.238 -7.791 1.00 63.00 H new ATOM 0 HA LYS A 50 14.887 3.583 -7.688 1.00 71.23 H new ATOM 0 HB2 LYS A 50 12.603 3.633 -9.686 1.00 4.03 H new ATOM 0 HB3 LYS A 50 14.042 4.608 -9.912 1.00 4.03 H new ATOM 0 HG2 LYS A 50 14.251 2.680 -11.294 1.00 10.14 H new ATOM 0 HG3 LYS A 50 15.409 2.515 -9.989 1.00 10.14 H new ATOM 0 HD2 LYS A 50 13.981 0.939 -8.833 1.00 21.40 H new ATOM 0 HD3 LYS A 50 12.680 1.207 -9.977 1.00 21.40 H new ATOM 0 HE2 LYS A 50 15.404 0.018 -10.634 1.00 22.33 H new ATOM 0 HE3 LYS A 50 13.911 -0.883 -10.464 1.00 22.33 H new ATOM 0 HZ1 LYS A 50 14.066 -0.577 -12.721 1.00 54.10 H new ATOM 0 HZ2 LYS A 50 13.058 0.718 -12.284 1.00 54.10 H new ATOM 0 HZ3 LYS A 50 14.704 0.992 -12.593 1.00 54.10 H new ATOM 669 N LYS A 51 12.164 5.408 -7.368 1.00 50.00 N ATOM 670 CA LYS A 51 11.622 6.738 -7.165 1.00 23.10 C ATOM 671 C LYS A 51 11.638 7.145 -5.680 1.00 63.44 C ATOM 672 O LYS A 51 11.699 8.337 -5.341 1.00 2.54 O ATOM 673 CB LYS A 51 10.203 6.771 -7.740 1.00 3.02 C ATOM 674 CG LYS A 51 9.600 8.146 -7.840 1.00 25.41 C ATOM 675 CD LYS A 51 8.218 8.096 -8.469 1.00 64.34 C ATOM 676 CE LYS A 51 7.674 9.493 -8.724 1.00 61.23 C ATOM 677 NZ LYS A 51 7.535 10.278 -7.479 1.00 14.32 N ATOM 0 H LYS A 51 11.463 4.668 -7.376 1.00 50.00 H new ATOM 0 HA LYS A 51 12.247 7.465 -7.683 1.00 23.10 H new ATOM 0 HB2 LYS A 51 10.217 6.321 -8.733 1.00 3.02 H new ATOM 0 HB3 LYS A 51 9.558 6.150 -7.118 1.00 3.02 H new ATOM 0 HG2 LYS A 51 9.534 8.590 -6.847 1.00 25.41 H new ATOM 0 HG3 LYS A 51 10.250 8.788 -8.434 1.00 25.41 H new ATOM 0 HD2 LYS A 51 8.264 7.545 -9.408 1.00 64.34 H new ATOM 0 HD3 LYS A 51 7.537 7.553 -7.813 1.00 64.34 H new ATOM 0 HE2 LYS A 51 8.338 10.019 -9.410 1.00 61.23 H new ATOM 0 HE3 LYS A 51 6.703 9.418 -9.214 1.00 61.23 H new ATOM 0 HZ1 LYS A 51 6.728 10.928 -7.567 1.00 14.32 H new ATOM 0 HZ2 LYS A 51 7.375 9.634 -6.678 1.00 14.32 H new ATOM 0 HZ3 LYS A 51 8.404 10.825 -7.314 1.00 14.32 H new ATOM 691 N PHE A 52 11.619 6.169 -4.821 1.00 72.00 N ATOM 692 CA PHE A 52 11.587 6.358 -3.411 1.00 72.04 C ATOM 693 C PHE A 52 12.612 5.432 -2.810 1.00 73.03 C ATOM 694 O PHE A 52 12.359 4.236 -2.629 1.00 43.54 O ATOM 695 CB PHE A 52 10.191 6.028 -2.825 1.00 24.44 C ATOM 696 CG PHE A 52 9.041 6.799 -3.428 1.00 53.31 C ATOM 697 CD1 PHE A 52 8.751 8.080 -3.005 1.00 14.51 C ATOM 698 CD2 PHE A 52 8.250 6.229 -4.414 1.00 11.53 C ATOM 699 CE1 PHE A 52 7.697 8.786 -3.552 1.00 12.42 C ATOM 700 CE2 PHE A 52 7.193 6.928 -4.964 1.00 22.34 C ATOM 701 CZ PHE A 52 6.917 8.209 -4.533 1.00 34.02 C ATOM 0 H PHE A 52 11.626 5.187 -5.098 1.00 72.00 H new ATOM 0 HA PHE A 52 11.802 7.401 -3.179 1.00 72.04 H new ATOM 0 HB2 PHE A 52 10.002 4.963 -2.957 1.00 24.44 H new ATOM 0 HB3 PHE A 52 10.211 6.217 -1.752 1.00 24.44 H new ATOM 0 HD1 PHE A 52 9.356 8.537 -2.236 1.00 14.51 H new ATOM 0 HD2 PHE A 52 8.463 5.227 -4.756 1.00 11.53 H new ATOM 0 HE1 PHE A 52 7.484 9.789 -3.212 1.00 12.42 H new ATOM 0 HE2 PHE A 52 6.584 6.472 -5.730 1.00 22.34 H new ATOM 0 HZ PHE A 52 6.093 8.759 -4.962 1.00 34.02 H new ATOM 711 N GLY A 53 13.785 5.963 -2.601 1.00 54.13 N ATOM 712 CA GLY A 53 14.883 5.227 -1.983 1.00 51.42 C ATOM 713 C GLY A 53 14.592 4.849 -0.542 1.00 24.34 C ATOM 714 O GLY A 53 15.122 5.445 0.394 1.00 52.32 O ATOM 0 H GLY A 53 14.020 6.923 -2.852 1.00 54.13 H new ATOM 0 HA2 GLY A 53 15.080 4.323 -2.559 1.00 51.42 H new ATOM 0 HA3 GLY A 53 15.788 5.833 -2.020 1.00 51.42 H new ATOM 718 N GLY A 54 13.753 3.869 -0.377 1.00 52.43 N ATOM 719 CA GLY A 54 13.331 3.447 0.915 1.00 4.32 C ATOM 720 C GLY A 54 14.258 2.486 1.592 1.00 13.11 C ATOM 721 O GLY A 54 14.311 2.465 2.801 1.00 51.03 O ATOM 0 H GLY A 54 13.342 3.339 -1.146 1.00 52.43 H new ATOM 0 HA2 GLY A 54 13.214 4.326 1.549 1.00 4.32 H new ATOM 0 HA3 GLY A 54 12.348 2.983 0.828 1.00 4.32 H new ATOM 725 N VAL A 55 15.024 1.730 0.811 1.00 24.44 N ATOM 726 CA VAL A 55 15.822 0.585 1.319 1.00 24.52 C ATOM 727 C VAL A 55 16.654 0.936 2.566 1.00 4.20 C ATOM 728 O VAL A 55 16.570 0.244 3.583 1.00 53.10 O ATOM 729 CB VAL A 55 16.762 0.025 0.216 1.00 20.12 C ATOM 730 CG1 VAL A 55 17.549 -1.182 0.721 1.00 31.45 C ATOM 731 CG2 VAL A 55 15.971 -0.339 -1.029 1.00 62.40 C ATOM 0 H VAL A 55 15.119 1.882 -0.193 1.00 24.44 H new ATOM 0 HA VAL A 55 15.097 -0.176 1.608 1.00 24.52 H new ATOM 0 HB VAL A 55 17.475 0.808 -0.043 1.00 20.12 H new ATOM 0 HG11 VAL A 55 18.198 -1.552 -0.073 1.00 31.45 H new ATOM 0 HG12 VAL A 55 18.155 -0.888 1.578 1.00 31.45 H new ATOM 0 HG13 VAL A 55 16.856 -1.969 1.019 1.00 31.45 H new ATOM 0 HG21 VAL A 55 16.648 -0.729 -1.789 1.00 62.40 H new ATOM 0 HG22 VAL A 55 15.229 -1.098 -0.780 1.00 62.40 H new ATOM 0 HG23 VAL A 55 15.468 0.548 -1.413 1.00 62.40 H new ATOM 737 N GLN A 56 17.415 2.012 2.496 1.00 0.14 N ATOM 738 CA GLN A 56 18.243 2.442 3.615 1.00 62.51 C ATOM 739 C GLN A 56 17.391 2.736 4.848 1.00 5.34 C ATOM 740 O GLN A 56 17.667 2.238 5.941 1.00 54.55 O ATOM 741 CB GLN A 56 19.032 3.679 3.211 1.00 15.11 C ATOM 742 CG GLN A 56 19.931 4.251 4.283 1.00 51.15 C ATOM 743 CD GLN A 56 21.058 3.322 4.676 1.00 63.40 C ATOM 744 OE1 GLN A 56 21.545 2.525 3.866 1.00 15.52 O ATOM 745 NE2 GLN A 56 21.489 3.414 5.903 1.00 40.00 N ATOM 0 H GLN A 56 17.479 2.610 1.672 1.00 0.14 H new ATOM 0 HA GLN A 56 18.932 1.637 3.871 1.00 62.51 H new ATOM 0 HB2 GLN A 56 19.642 3.433 2.342 1.00 15.11 H new ATOM 0 HB3 GLN A 56 18.330 4.452 2.899 1.00 15.11 H new ATOM 0 HG2 GLN A 56 20.352 5.193 3.930 1.00 51.15 H new ATOM 0 HG3 GLN A 56 19.333 4.479 5.165 1.00 51.15 H new ATOM 0 HE21 GLN A 56 21.063 4.083 6.544 1.00 40.00 H new ATOM 0 HE22 GLN A 56 22.252 2.817 6.222 1.00 40.00 H new ATOM 753 N GLU A 57 16.350 3.508 4.644 1.00 24.21 N ATOM 754 CA GLU A 57 15.453 3.919 5.708 1.00 14.21 C ATOM 755 C GLU A 57 14.734 2.719 6.302 1.00 3.04 C ATOM 756 O GLU A 57 14.465 2.672 7.496 1.00 12.12 O ATOM 757 CB GLU A 57 14.431 4.909 5.168 1.00 20.20 C ATOM 758 CG GLU A 57 15.040 6.148 4.538 1.00 12.12 C ATOM 759 CD GLU A 57 15.908 6.907 5.500 1.00 44.35 C ATOM 760 OE1 GLU A 57 15.356 7.590 6.387 1.00 34.12 O ATOM 761 OE2 GLU A 57 17.146 6.822 5.390 1.00 50.31 O ATOM 0 H GLU A 57 16.096 3.874 3.727 1.00 24.21 H new ATOM 0 HA GLU A 57 16.044 4.393 6.491 1.00 14.21 H new ATOM 0 HB2 GLU A 57 13.810 4.406 4.427 1.00 20.20 H new ATOM 0 HB3 GLU A 57 13.772 5.214 5.981 1.00 20.20 H new ATOM 0 HG2 GLU A 57 15.631 5.858 3.669 1.00 12.12 H new ATOM 0 HG3 GLU A 57 14.243 6.799 4.179 1.00 12.12 H new ATOM 768 N LEU A 58 14.437 1.750 5.466 1.00 63.34 N ATOM 769 CA LEU A 58 13.711 0.564 5.888 1.00 73.12 C ATOM 770 C LEU A 58 14.567 -0.288 6.800 1.00 11.20 C ATOM 771 O LEU A 58 14.100 -0.745 7.851 1.00 42.23 O ATOM 772 CB LEU A 58 13.230 -0.242 4.682 1.00 24.00 C ATOM 773 CG LEU A 58 12.334 0.513 3.698 1.00 71.52 C ATOM 774 CD1 LEU A 58 11.906 -0.367 2.557 1.00 12.40 C ATOM 775 CD2 LEU A 58 11.134 1.119 4.390 1.00 31.51 C ATOM 0 H LEU A 58 14.689 1.757 4.478 1.00 63.34 H new ATOM 0 HA LEU A 58 12.832 0.885 6.447 1.00 73.12 H new ATOM 0 HB2 LEU A 58 14.102 -0.610 4.142 1.00 24.00 H new ATOM 0 HB3 LEU A 58 12.687 -1.115 5.044 1.00 24.00 H new ATOM 0 HG LEU A 58 12.927 1.330 3.287 1.00 71.52 H new ATOM 0 HD11 LEU A 58 11.271 0.201 1.878 1.00 12.40 H new ATOM 0 HD12 LEU A 58 12.786 -0.721 2.020 1.00 12.40 H new ATOM 0 HD13 LEU A 58 11.350 -1.221 2.945 1.00 12.40 H new ATOM 0 HD21 LEU A 58 10.521 1.647 3.660 1.00 31.51 H new ATOM 0 HD22 LEU A 58 10.545 0.329 4.855 1.00 31.51 H new ATOM 0 HD23 LEU A 58 11.470 1.819 5.155 1.00 31.51 H new ATOM 783 N LEU A 59 15.834 -0.451 6.429 1.00 3.11 N ATOM 784 CA LEU A 59 16.768 -1.227 7.232 1.00 23.00 C ATOM 785 C LEU A 59 17.016 -0.524 8.566 1.00 40.33 C ATOM 786 O LEU A 59 17.258 -1.163 9.587 1.00 62.22 O ATOM 787 CB LEU A 59 18.091 -1.409 6.487 1.00 32.11 C ATOM 788 CG LEU A 59 18.032 -2.142 5.141 1.00 3.34 C ATOM 789 CD1 LEU A 59 19.413 -2.192 4.507 1.00 0.42 C ATOM 790 CD2 LEU A 59 17.474 -3.550 5.312 1.00 21.14 C ATOM 0 H LEU A 59 16.235 -0.056 5.578 1.00 3.11 H new ATOM 0 HA LEU A 59 16.334 -2.209 7.418 1.00 23.00 H new ATOM 0 HB2 LEU A 59 18.524 -0.423 6.318 1.00 32.11 H new ATOM 0 HB3 LEU A 59 18.776 -1.951 7.139 1.00 32.11 H new ATOM 0 HG LEU A 59 17.363 -1.590 4.481 1.00 3.34 H new ATOM 0 HD11 LEU A 59 19.356 -2.715 3.552 1.00 0.42 H new ATOM 0 HD12 LEU A 59 19.775 -1.177 4.344 1.00 0.42 H new ATOM 0 HD13 LEU A 59 20.099 -2.720 5.170 1.00 0.42 H new ATOM 0 HD21 LEU A 59 17.442 -4.049 4.343 1.00 21.14 H new ATOM 0 HD22 LEU A 59 18.113 -4.115 5.990 1.00 21.14 H new ATOM 0 HD23 LEU A 59 16.467 -3.495 5.725 1.00 21.14 H new ATOM 798 N ASN A 60 16.942 0.792 8.534 1.00 20.14 N ATOM 799 CA ASN A 60 17.125 1.626 9.691 1.00 13.54 C ATOM 800 C ASN A 60 15.931 1.583 10.642 1.00 52.32 C ATOM 801 O ASN A 60 16.104 1.607 11.867 1.00 24.54 O ATOM 802 CB ASN A 60 17.425 3.052 9.241 1.00 74.12 C ATOM 803 CG ASN A 60 18.879 3.271 8.856 1.00 3.32 C ATOM 804 OD1 ASN A 60 19.589 2.344 8.441 1.00 74.53 O ATOM 805 ND2 ASN A 60 19.329 4.491 8.966 1.00 50.54 N ATOM 0 H ASN A 60 16.748 1.317 7.681 1.00 20.14 H new ATOM 0 HA ASN A 60 17.971 1.238 10.258 1.00 13.54 H new ATOM 0 HB2 ASN A 60 16.791 3.297 8.389 1.00 74.12 H new ATOM 0 HB3 ASN A 60 17.162 3.741 10.043 1.00 74.12 H new ATOM 0 HD21 ASN A 60 20.292 4.705 8.707 1.00 50.54 H new ATOM 0 HD22 ASN A 60 18.718 5.231 9.311 1.00 50.54 H new ATOM 811 N GLN A 61 14.727 1.510 10.093 1.00 62.32 N ATOM 812 CA GLN A 61 13.528 1.447 10.921 1.00 22.02 C ATOM 813 C GLN A 61 13.352 0.067 11.525 1.00 63.24 C ATOM 814 O GLN A 61 12.712 -0.079 12.559 1.00 1.05 O ATOM 815 CB GLN A 61 12.273 1.863 10.141 1.00 4.33 C ATOM 816 CG GLN A 61 12.292 3.312 9.671 1.00 34.04 C ATOM 817 CD GLN A 61 11.021 3.720 8.954 1.00 72.01 C ATOM 818 OE1 GLN A 61 10.074 4.187 9.574 1.00 10.33 O ATOM 819 NE2 GLN A 61 10.983 3.547 7.659 1.00 61.15 N ATOM 0 H GLN A 61 14.553 1.493 9.088 1.00 62.32 H new ATOM 0 HA GLN A 61 13.662 2.161 11.733 1.00 22.02 H new ATOM 0 HB2 GLN A 61 12.163 1.211 9.274 1.00 4.33 H new ATOM 0 HB3 GLN A 61 11.397 1.707 10.771 1.00 4.33 H new ATOM 0 HG2 GLN A 61 12.443 3.965 10.531 1.00 34.04 H new ATOM 0 HG3 GLN A 61 13.142 3.461 9.005 1.00 34.04 H new ATOM 0 HE21 GLN A 61 11.790 3.155 7.173 1.00 61.15 H new ATOM 0 HE22 GLN A 61 10.147 3.804 7.135 1.00 61.15 H new ATOM 827 N GLN A 62 13.935 -0.930 10.862 1.00 45.44 N ATOM 828 CA GLN A 62 13.918 -2.336 11.290 1.00 64.45 C ATOM 829 C GLN A 62 12.510 -2.868 11.455 1.00 54.35 C ATOM 830 O GLN A 62 11.898 -2.769 12.537 1.00 44.12 O ATOM 831 CB GLN A 62 14.712 -2.570 12.575 1.00 74.51 C ATOM 832 CG GLN A 62 16.153 -2.132 12.516 1.00 21.34 C ATOM 833 CD GLN A 62 16.887 -2.452 13.791 1.00 31.41 C ATOM 834 OE1 GLN A 62 17.485 -3.522 13.927 1.00 2.21 O ATOM 835 NE2 GLN A 62 16.840 -1.553 14.738 1.00 71.50 N ATOM 0 H GLN A 62 14.446 -0.784 9.991 1.00 45.44 H new ATOM 0 HA GLN A 62 14.405 -2.888 10.486 1.00 64.45 H new ATOM 0 HB2 GLN A 62 14.219 -2.042 13.391 1.00 74.51 H new ATOM 0 HB3 GLN A 62 14.679 -3.632 12.817 1.00 74.51 H new ATOM 0 HG2 GLN A 62 16.648 -2.623 11.678 1.00 21.34 H new ATOM 0 HG3 GLN A 62 16.200 -1.059 12.329 1.00 21.34 H new ATOM 0 HE21 GLN A 62 16.335 -0.680 14.588 1.00 71.50 H new ATOM 0 HE22 GLN A 62 17.308 -1.725 15.628 1.00 71.50 H new ATOM 843 N LYS A 63 11.979 -3.385 10.398 1.00 32.32 N ATOM 844 CA LYS A 63 10.681 -3.951 10.422 1.00 40.24 C ATOM 845 C LYS A 63 10.727 -5.414 10.110 1.00 33.41 C ATOM 846 O LYS A 63 11.496 -5.854 9.253 1.00 52.51 O ATOM 847 CB LYS A 63 9.703 -3.197 9.513 1.00 64.32 C ATOM 848 CG LYS A 63 9.364 -1.789 10.002 1.00 4.21 C ATOM 849 CD LYS A 63 8.923 -1.870 11.446 1.00 53.45 C ATOM 850 CE LYS A 63 8.232 -0.620 11.951 1.00 42.32 C ATOM 851 NZ LYS A 63 7.857 -0.773 13.383 1.00 35.51 N ATOM 0 H LYS A 63 12.440 -3.425 9.489 1.00 32.32 H new ATOM 0 HA LYS A 63 10.297 -3.844 11.437 1.00 40.24 H new ATOM 0 HB2 LYS A 63 10.130 -3.131 8.512 1.00 64.32 H new ATOM 0 HB3 LYS A 63 8.782 -3.774 9.429 1.00 64.32 H new ATOM 0 HG2 LYS A 63 10.233 -1.137 9.908 1.00 4.21 H new ATOM 0 HG3 LYS A 63 8.573 -1.356 9.389 1.00 4.21 H new ATOM 0 HD2 LYS A 63 8.248 -2.718 11.562 1.00 53.45 H new ATOM 0 HD3 LYS A 63 9.794 -2.069 12.070 1.00 53.45 H new ATOM 0 HE2 LYS A 63 8.891 0.240 11.832 1.00 42.32 H new ATOM 0 HE3 LYS A 63 7.341 -0.424 11.355 1.00 42.32 H new ATOM 0 HZ1 LYS A 63 6.910 -0.372 13.539 1.00 35.51 H new ATOM 0 HZ2 LYS A 63 7.851 -1.782 13.634 1.00 35.51 H new ATOM 0 HZ3 LYS A 63 8.547 -0.272 13.978 1.00 35.51 H new ATOM 865 N LYS A 64 9.944 -6.162 10.827 1.00 23.11 N ATOM 866 CA LYS A 64 9.875 -7.584 10.664 1.00 1.33 C ATOM 867 C LYS A 64 8.543 -7.934 10.061 1.00 13.31 C ATOM 868 O LYS A 64 7.661 -7.073 9.973 1.00 54.30 O ATOM 869 CB LYS A 64 10.031 -8.265 12.033 1.00 31.21 C ATOM 870 CG LYS A 64 11.369 -7.979 12.726 1.00 5.50 C ATOM 871 CD LYS A 64 12.542 -8.634 12.010 1.00 75.12 C ATOM 872 CE LYS A 64 12.494 -10.148 12.151 1.00 4.42 C ATOM 873 NZ LYS A 64 13.586 -10.804 11.420 1.00 0.12 N ATOM 0 H LYS A 64 9.326 -5.797 11.552 1.00 23.11 H new ATOM 0 HA LYS A 64 10.675 -7.928 10.008 1.00 1.33 H new ATOM 0 HB2 LYS A 64 9.220 -7.938 12.684 1.00 31.21 H new ATOM 0 HB3 LYS A 64 9.923 -9.342 11.905 1.00 31.21 H new ATOM 0 HG2 LYS A 64 11.529 -6.902 12.771 1.00 5.50 H new ATOM 0 HG3 LYS A 64 11.327 -8.338 13.754 1.00 5.50 H new ATOM 0 HD2 LYS A 64 12.525 -8.363 10.954 1.00 75.12 H new ATOM 0 HD3 LYS A 64 13.479 -8.257 12.420 1.00 75.12 H new ATOM 0 HE2 LYS A 64 12.552 -10.416 13.206 1.00 4.42 H new ATOM 0 HE3 LYS A 64 11.537 -10.516 11.781 1.00 4.42 H new ATOM 0 HZ1 LYS A 64 13.526 -11.833 11.556 1.00 0.12 H new ATOM 0 HZ2 LYS A 64 13.507 -10.584 10.407 1.00 0.12 H new ATOM 0 HZ3 LYS A 64 14.500 -10.460 11.779 1.00 0.12 H new ATOM 887 N SER A 65 8.403 -9.171 9.630 1.00 64.51 N ATOM 888 CA SER A 65 7.170 -9.658 9.046 1.00 43.43 C ATOM 889 C SER A 65 5.938 -9.323 9.914 1.00 55.12 C ATOM 890 O SER A 65 5.901 -9.611 11.132 1.00 71.30 O ATOM 891 CB SER A 65 7.302 -11.164 8.763 1.00 43.50 C ATOM 892 OG SER A 65 7.838 -11.862 9.893 1.00 44.24 O ATOM 0 H SER A 65 9.145 -9.870 9.675 1.00 64.51 H new ATOM 0 HA SER A 65 7.002 -9.142 8.100 1.00 43.43 H new ATOM 0 HB2 SER A 65 6.325 -11.575 8.509 1.00 43.50 H new ATOM 0 HB3 SER A 65 7.947 -11.318 7.898 1.00 43.50 H new ATOM 0 HG SER A 65 7.909 -12.817 9.684 1.00 44.24 H new ATOM 898 N GLY A 66 4.955 -8.691 9.297 1.00 2.22 N ATOM 899 CA GLY A 66 3.765 -8.283 10.008 1.00 4.13 C ATOM 900 C GLY A 66 3.809 -6.822 10.453 1.00 11.03 C ATOM 901 O GLY A 66 2.982 -6.392 11.254 1.00 3.12 O ATOM 0 H GLY A 66 4.961 -8.451 8.306 1.00 2.22 H new ATOM 0 HA2 GLY A 66 2.896 -8.437 9.369 1.00 4.13 H new ATOM 0 HA3 GLY A 66 3.634 -8.920 10.883 1.00 4.13 H new ATOM 905 N GLU A 67 4.763 -6.070 9.942 1.00 1.30 N ATOM 906 CA GLU A 67 4.896 -4.652 10.265 1.00 62.34 C ATOM 907 C GLU A 67 4.879 -3.804 9.010 1.00 32.22 C ATOM 908 O GLU A 67 4.904 -4.329 7.891 1.00 53.11 O ATOM 909 CB GLU A 67 6.169 -4.359 11.051 1.00 74.51 C ATOM 910 CG GLU A 67 6.221 -4.975 12.425 1.00 55.32 C ATOM 911 CD GLU A 67 7.482 -4.606 13.150 1.00 42.44 C ATOM 912 OE1 GLU A 67 7.521 -3.528 13.788 1.00 11.23 O ATOM 913 OE2 GLU A 67 8.454 -5.373 13.093 1.00 62.34 O ATOM 0 H GLU A 67 5.469 -6.417 9.293 1.00 1.30 H new ATOM 0 HA GLU A 67 4.040 -4.396 10.889 1.00 62.34 H new ATOM 0 HB2 GLU A 67 7.024 -4.715 10.476 1.00 74.51 H new ATOM 0 HB3 GLU A 67 6.278 -3.279 11.148 1.00 74.51 H new ATOM 0 HG2 GLU A 67 5.358 -4.646 13.004 1.00 55.32 H new ATOM 0 HG3 GLU A 67 6.154 -6.060 12.341 1.00 55.32 H new ATOM 920 N VAL A 68 4.833 -2.503 9.188 1.00 21.14 N ATOM 921 CA VAL A 68 4.830 -1.600 8.079 1.00 73.32 C ATOM 922 C VAL A 68 5.866 -0.502 8.303 1.00 51.32 C ATOM 923 O VAL A 68 6.081 -0.036 9.435 1.00 2.43 O ATOM 924 CB VAL A 68 3.423 -0.952 7.860 1.00 43.14 C ATOM 925 CG1 VAL A 68 3.049 0.007 8.978 1.00 51.25 C ATOM 926 CG2 VAL A 68 3.337 -0.263 6.523 1.00 45.14 C ATOM 0 H VAL A 68 4.797 -2.052 10.102 1.00 21.14 H new ATOM 0 HA VAL A 68 5.079 -2.173 7.186 1.00 73.32 H new ATOM 0 HB VAL A 68 2.701 -1.768 7.874 1.00 43.14 H new ATOM 0 HG11 VAL A 68 2.064 0.431 8.780 1.00 51.25 H new ATOM 0 HG12 VAL A 68 3.029 -0.530 9.926 1.00 51.25 H new ATOM 0 HG13 VAL A 68 3.785 0.809 9.031 1.00 51.25 H new ATOM 0 HG21 VAL A 68 2.347 0.176 6.403 1.00 45.14 H new ATOM 0 HG22 VAL A 68 4.091 0.522 6.469 1.00 45.14 H new ATOM 0 HG23 VAL A 68 3.511 -0.988 5.728 1.00 45.14 H new ATOM 932 N ALA A 69 6.525 -0.123 7.262 1.00 42.04 N ATOM 933 CA ALA A 69 7.445 0.972 7.311 1.00 14.23 C ATOM 934 C ALA A 69 6.888 2.071 6.442 1.00 1.32 C ATOM 935 O ALA A 69 6.319 1.788 5.388 1.00 62.42 O ATOM 936 CB ALA A 69 8.810 0.533 6.839 1.00 63.01 C ATOM 0 H ALA A 69 6.444 -0.563 6.346 1.00 42.04 H new ATOM 0 HA ALA A 69 7.565 1.334 8.332 1.00 14.23 H new ATOM 0 HB1 ALA A 69 9.499 1.377 6.882 1.00 63.01 H new ATOM 0 HB2 ALA A 69 9.177 -0.268 7.481 1.00 63.01 H new ATOM 0 HB3 ALA A 69 8.742 0.173 5.813 1.00 63.01 H new ATOM 942 N VAL A 70 7.005 3.302 6.870 1.00 3.33 N ATOM 943 CA VAL A 70 6.424 4.397 6.116 1.00 23.43 C ATOM 944 C VAL A 70 7.462 5.467 5.898 1.00 43.53 C ATOM 945 O VAL A 70 8.334 5.675 6.746 1.00 50.54 O ATOM 946 CB VAL A 70 5.205 5.042 6.859 1.00 32.01 C ATOM 947 CG1 VAL A 70 4.476 6.053 5.987 1.00 41.41 C ATOM 948 CG2 VAL A 70 4.254 4.000 7.422 1.00 25.23 C ATOM 0 H VAL A 70 7.490 3.575 7.725 1.00 3.33 H new ATOM 0 HA VAL A 70 6.076 3.987 5.168 1.00 23.43 H new ATOM 0 HB VAL A 70 5.616 5.586 7.709 1.00 32.01 H new ATOM 0 HG11 VAL A 70 3.638 6.475 6.542 1.00 41.41 H new ATOM 0 HG12 VAL A 70 5.162 6.851 5.704 1.00 41.41 H new ATOM 0 HG13 VAL A 70 4.104 5.558 5.090 1.00 41.41 H new ATOM 0 HG21 VAL A 70 3.426 4.498 7.927 1.00 25.23 H new ATOM 0 HG22 VAL A 70 3.866 3.385 6.610 1.00 25.23 H new ATOM 0 HG23 VAL A 70 4.786 3.368 8.133 1.00 25.23 H new ATOM 954 N LEU A 71 7.382 6.121 4.775 1.00 32.13 N ATOM 955 CA LEU A 71 8.244 7.225 4.463 1.00 21.13 C ATOM 956 C LEU A 71 7.365 8.390 4.070 1.00 73.50 C ATOM 957 O LEU A 71 6.447 8.217 3.257 1.00 42.11 O ATOM 958 CB LEU A 71 9.139 6.887 3.264 1.00 24.04 C ATOM 959 CG LEU A 71 9.975 5.609 3.336 1.00 74.12 C ATOM 960 CD1 LEU A 71 10.751 5.435 2.054 1.00 3.43 C ATOM 961 CD2 LEU A 71 10.925 5.623 4.523 1.00 11.24 C ATOM 0 H LEU A 71 6.709 5.900 4.041 1.00 32.13 H new ATOM 0 HA LEU A 71 8.870 7.454 5.325 1.00 21.13 H new ATOM 0 HB2 LEU A 71 8.504 6.823 2.380 1.00 24.04 H new ATOM 0 HB3 LEU A 71 9.820 7.724 3.108 1.00 24.04 H new ATOM 0 HG LEU A 71 9.293 4.769 3.470 1.00 74.12 H new ATOM 0 HD11 LEU A 71 11.345 4.523 2.109 1.00 3.43 H new ATOM 0 HD12 LEU A 71 10.058 5.366 1.216 1.00 3.43 H new ATOM 0 HD13 LEU A 71 11.411 6.290 1.909 1.00 3.43 H new ATOM 0 HD21 LEU A 71 11.501 4.698 4.539 1.00 11.24 H new ATOM 0 HD22 LEU A 71 11.604 6.471 4.436 1.00 11.24 H new ATOM 0 HD23 LEU A 71 10.352 5.710 5.446 1.00 11.24 H new ATOM 969 N LYS A 72 7.591 9.549 4.639 1.00 25.13 N ATOM 970 CA LYS A 72 6.856 10.706 4.213 1.00 65.21 C ATOM 971 C LYS A 72 7.601 11.327 3.061 1.00 21.21 C ATOM 972 O LYS A 72 8.723 11.827 3.231 1.00 53.41 O ATOM 973 CB LYS A 72 6.702 11.724 5.326 1.00 71.35 C ATOM 974 CG LYS A 72 5.840 12.916 4.923 1.00 3.32 C ATOM 975 CD LYS A 72 5.673 13.902 6.056 1.00 3.31 C ATOM 976 CE LYS A 72 4.774 15.049 5.647 1.00 51.45 C ATOM 977 NZ LYS A 72 4.596 16.017 6.733 1.00 74.43 N ATOM 0 H LYS A 72 8.267 9.712 5.385 1.00 25.13 H new ATOM 0 HA LYS A 72 5.853 10.398 3.918 1.00 65.21 H new ATOM 0 HB2 LYS A 72 6.260 11.239 6.196 1.00 71.35 H new ATOM 0 HB3 LYS A 72 7.688 12.079 5.626 1.00 71.35 H new ATOM 0 HG2 LYS A 72 6.293 13.419 4.069 1.00 3.32 H new ATOM 0 HG3 LYS A 72 4.860 12.563 4.602 1.00 3.32 H new ATOM 0 HD2 LYS A 72 5.251 13.396 6.924 1.00 3.31 H new ATOM 0 HD3 LYS A 72 6.648 14.288 6.354 1.00 3.31 H new ATOM 0 HE2 LYS A 72 5.199 15.552 4.778 1.00 51.45 H new ATOM 0 HE3 LYS A 72 3.802 14.659 5.345 1.00 51.45 H new ATOM 0 HZ1 LYS A 72 3.974 16.787 6.413 1.00 74.43 H new ATOM 0 HZ2 LYS A 72 4.167 15.543 7.553 1.00 74.43 H new ATOM 0 HZ3 LYS A 72 5.521 16.409 7.004 1.00 74.43 H new ATOM 991 N ARG A 73 7.012 11.288 1.912 1.00 22.54 N ATOM 992 CA ARG A 73 7.650 11.778 0.699 1.00 41.24 C ATOM 993 C ARG A 73 6.671 12.647 -0.058 1.00 43.04 C ATOM 994 O ARG A 73 5.567 12.223 -0.316 1.00 3.41 O ATOM 995 CB ARG A 73 8.083 10.591 -0.197 1.00 63.43 C ATOM 996 CG ARG A 73 9.022 9.582 0.474 1.00 0.43 C ATOM 997 CD ARG A 73 10.351 10.206 0.881 1.00 14.24 C ATOM 998 NE ARG A 73 11.131 10.670 -0.271 1.00 63.20 N ATOM 999 CZ ARG A 73 12.197 11.479 -0.200 1.00 42.02 C ATOM 1000 NH1 ARG A 73 12.591 11.978 0.975 1.00 5.12 N ATOM 1001 NH2 ARG A 73 12.856 11.791 -1.301 1.00 12.32 N ATOM 0 H ARG A 73 6.072 10.918 1.770 1.00 22.54 H new ATOM 0 HA ARG A 73 8.533 12.357 0.968 1.00 41.24 H new ATOM 0 HB2 ARG A 73 7.190 10.065 -0.534 1.00 63.43 H new ATOM 0 HB3 ARG A 73 8.574 10.987 -1.086 1.00 63.43 H new ATOM 0 HG2 ARG A 73 8.534 9.166 1.356 1.00 0.43 H new ATOM 0 HG3 ARG A 73 9.207 8.753 -0.209 1.00 0.43 H new ATOM 0 HD2 ARG A 73 10.164 11.045 1.551 1.00 14.24 H new ATOM 0 HD3 ARG A 73 10.935 9.475 1.441 1.00 14.24 H new ATOM 0 HE ARG A 73 10.840 10.353 -1.196 1.00 63.20 H new ATOM 0 HH11 ARG A 73 12.079 11.744 1.826 1.00 5.12 H new ATOM 0 HH12 ARG A 73 13.403 12.593 1.021 1.00 5.12 H new ATOM 0 HH21 ARG A 73 12.553 11.417 -2.200 1.00 12.32 H new ATOM 0 HH22 ARG A 73 13.668 12.406 -1.252 1.00 12.32 H new ATOM 1013 N ASP A 74 7.074 13.873 -0.370 1.00 25.30 N ATOM 1014 CA ASP A 74 6.243 14.848 -1.138 1.00 60.13 C ATOM 1015 C ASP A 74 4.916 15.136 -0.398 1.00 72.42 C ATOM 1016 O ASP A 74 3.918 15.524 -0.983 1.00 54.10 O ATOM 1017 CB ASP A 74 5.983 14.299 -2.580 1.00 30.10 C ATOM 1018 CG ASP A 74 5.246 15.273 -3.503 1.00 11.42 C ATOM 1019 OD1 ASP A 74 5.845 16.300 -3.896 1.00 32.00 O ATOM 1020 OD2 ASP A 74 4.084 15.006 -3.886 1.00 22.24 O ATOM 0 H ASP A 74 7.988 14.240 -0.105 1.00 25.30 H new ATOM 0 HA ASP A 74 6.783 15.791 -1.220 1.00 60.13 H new ATOM 0 HB2 ASP A 74 6.939 14.039 -3.035 1.00 30.10 H new ATOM 0 HB3 ASP A 74 5.404 13.378 -2.506 1.00 30.10 H new ATOM 1025 N GLY A 75 4.952 15.024 0.911 1.00 50.24 N ATOM 1026 CA GLY A 75 3.765 15.256 1.713 1.00 24.14 C ATOM 1027 C GLY A 75 2.754 14.113 1.635 1.00 13.52 C ATOM 1028 O GLY A 75 1.608 14.258 2.070 1.00 33.13 O ATOM 0 H GLY A 75 5.785 14.775 1.444 1.00 50.24 H new ATOM 0 HA2 GLY A 75 4.059 15.402 2.752 1.00 24.14 H new ATOM 0 HA3 GLY A 75 3.287 16.179 1.384 1.00 24.14 H new ATOM 1032 N ARG A 76 3.154 13.000 1.071 1.00 4.51 N ATOM 1033 CA ARG A 76 2.289 11.846 0.993 1.00 61.05 C ATOM 1034 C ARG A 76 3.017 10.700 1.675 1.00 73.23 C ATOM 1035 O ARG A 76 4.238 10.789 1.913 1.00 23.12 O ATOM 1036 CB ARG A 76 1.945 11.514 -0.488 1.00 74.11 C ATOM 1037 CG ARG A 76 3.090 10.914 -1.289 1.00 32.45 C ATOM 1038 CD ARG A 76 2.863 10.987 -2.794 1.00 62.44 C ATOM 1039 NE ARG A 76 1.613 10.376 -3.256 1.00 42.05 N ATOM 1040 CZ ARG A 76 1.324 10.139 -4.549 1.00 34.31 C ATOM 1041 NH1 ARG A 76 2.215 10.392 -5.491 1.00 63.41 N ATOM 1042 NH2 ARG A 76 0.145 9.656 -4.886 1.00 12.41 N ATOM 0 H ARG A 76 4.077 12.867 0.657 1.00 4.51 H new ATOM 0 HA ARG A 76 1.338 12.033 1.491 1.00 61.05 H new ATOM 0 HB2 ARG A 76 1.105 10.819 -0.504 1.00 74.11 H new ATOM 0 HB3 ARG A 76 1.613 12.427 -0.983 1.00 74.11 H new ATOM 0 HG2 ARG A 76 4.014 11.437 -1.040 1.00 32.45 H new ATOM 0 HG3 ARG A 76 3.224 9.872 -0.997 1.00 32.45 H new ATOM 0 HD2 ARG A 76 2.874 12.033 -3.099 1.00 62.44 H new ATOM 0 HD3 ARG A 76 3.698 10.499 -3.298 1.00 62.44 H new ATOM 0 HE ARG A 76 0.920 10.115 -2.555 1.00 42.05 H new ATOM 0 HH11 ARG A 76 3.129 10.769 -5.240 1.00 63.41 H new ATOM 0 HH12 ARG A 76 1.989 10.210 -6.469 1.00 63.41 H new ATOM 0 HH21 ARG A 76 -0.551 9.461 -4.166 1.00 12.41 H new ATOM 0 HH22 ARG A 76 -0.072 9.477 -5.867 1.00 12.41 H new ATOM 1054 N TYR A 77 2.322 9.667 2.015 1.00 61.54 N ATOM 1055 CA TYR A 77 2.943 8.575 2.706 1.00 4.13 C ATOM 1056 C TYR A 77 3.145 7.375 1.848 1.00 24.22 C ATOM 1057 O TYR A 77 2.355 7.099 0.946 1.00 61.23 O ATOM 1058 CB TYR A 77 2.212 8.257 3.993 1.00 61.51 C ATOM 1059 CG TYR A 77 2.403 9.347 4.994 1.00 1.10 C ATOM 1060 CD1 TYR A 77 3.555 9.388 5.730 1.00 72.44 C ATOM 1061 CD2 TYR A 77 1.460 10.345 5.187 1.00 60.12 C ATOM 1062 CE1 TYR A 77 3.791 10.371 6.628 1.00 33.31 C ATOM 1063 CE2 TYR A 77 1.681 11.352 6.103 1.00 63.05 C ATOM 1064 CZ TYR A 77 2.852 11.361 6.822 1.00 2.22 C ATOM 1065 OH TYR A 77 3.096 12.372 7.727 1.00 74.40 O ATOM 0 H TYR A 77 1.326 9.551 1.829 1.00 61.54 H new ATOM 0 HA TYR A 77 3.948 8.902 2.974 1.00 4.13 H new ATOM 0 HB2 TYR A 77 1.149 8.126 3.790 1.00 61.51 H new ATOM 0 HB3 TYR A 77 2.577 7.314 4.401 1.00 61.51 H new ATOM 0 HD1 TYR A 77 4.296 8.615 5.590 1.00 72.44 H new ATOM 0 HD2 TYR A 77 0.544 10.334 4.615 1.00 60.12 H new ATOM 0 HE1 TYR A 77 4.712 10.380 7.191 1.00 33.31 H new ATOM 0 HE2 TYR A 77 0.942 12.125 6.254 1.00 63.05 H new ATOM 0 HH TYR A 77 2.334 12.988 7.742 1.00 74.40 H new ATOM 1075 N ILE A 78 4.224 6.673 2.109 1.00 34.30 N ATOM 1076 CA ILE A 78 4.559 5.496 1.355 1.00 62.41 C ATOM 1077 C ILE A 78 4.603 4.339 2.325 1.00 61.42 C ATOM 1078 O ILE A 78 5.414 4.338 3.250 1.00 12.14 O ATOM 1079 CB ILE A 78 5.958 5.629 0.667 1.00 53.42 C ATOM 1080 CG1 ILE A 78 6.065 6.928 -0.166 1.00 72.42 C ATOM 1081 CG2 ILE A 78 6.237 4.414 -0.220 1.00 11.31 C ATOM 1082 CD1 ILE A 78 5.059 7.049 -1.295 1.00 42.25 C ATOM 0 H ILE A 78 4.889 6.904 2.847 1.00 34.30 H new ATOM 0 HA ILE A 78 3.816 5.348 0.572 1.00 62.41 H new ATOM 0 HB ILE A 78 6.707 5.675 1.458 1.00 53.42 H new ATOM 0 HG12 ILE A 78 5.944 7.781 0.502 1.00 72.42 H new ATOM 0 HG13 ILE A 78 7.069 6.991 -0.585 1.00 72.42 H new ATOM 0 HG21 ILE A 78 7.214 4.524 -0.690 1.00 11.31 H new ATOM 0 HG22 ILE A 78 6.226 3.509 0.388 1.00 11.31 H new ATOM 0 HG23 ILE A 78 5.469 4.342 -0.991 1.00 11.31 H new ATOM 0 HD11 ILE A 78 5.213 7.992 -1.820 1.00 42.25 H new ATOM 0 HD12 ILE A 78 5.191 6.220 -1.991 1.00 42.25 H new ATOM 0 HD13 ILE A 78 4.049 7.022 -0.887 1.00 42.25 H new ATOM 1089 N TYR A 79 3.735 3.388 2.132 1.00 4.44 N ATOM 1090 CA TYR A 79 3.637 2.251 3.017 1.00 75.43 C ATOM 1091 C TYR A 79 4.329 1.029 2.455 1.00 14.14 C ATOM 1092 O TYR A 79 4.150 0.666 1.275 1.00 31.23 O ATOM 1093 CB TYR A 79 2.178 1.924 3.329 1.00 41.22 C ATOM 1094 CG TYR A 79 1.440 3.005 4.079 1.00 42.55 C ATOM 1095 CD1 TYR A 79 1.447 3.025 5.458 1.00 14.40 C ATOM 1096 CD2 TYR A 79 0.731 4.001 3.411 1.00 41.41 C ATOM 1097 CE1 TYR A 79 0.781 3.994 6.161 1.00 54.41 C ATOM 1098 CE2 TYR A 79 0.056 4.983 4.111 1.00 12.24 C ATOM 1099 CZ TYR A 79 0.087 4.972 5.492 1.00 30.42 C ATOM 1100 OH TYR A 79 -0.578 5.945 6.216 1.00 72.13 O ATOM 0 H TYR A 79 3.072 3.374 1.357 1.00 4.44 H new ATOM 0 HA TYR A 79 4.146 2.529 3.940 1.00 75.43 H new ATOM 0 HB2 TYR A 79 1.655 1.727 2.393 1.00 41.22 H new ATOM 0 HB3 TYR A 79 2.142 1.005 3.914 1.00 41.22 H new ATOM 0 HD1 TYR A 79 1.989 2.261 5.995 1.00 14.40 H new ATOM 0 HD2 TYR A 79 0.709 4.006 2.331 1.00 41.41 H new ATOM 0 HE1 TYR A 79 0.802 3.989 7.241 1.00 54.41 H new ATOM 0 HE2 TYR A 79 -0.490 5.751 3.584 1.00 12.24 H new ATOM 0 HH TYR A 79 -1.397 5.566 6.599 1.00 72.13 H new ATOM 1110 N TYR A 80 5.124 0.420 3.286 1.00 1.34 N ATOM 1111 CA TYR A 80 5.813 -0.798 2.972 1.00 42.35 C ATOM 1112 C TYR A 80 5.315 -1.908 3.862 1.00 4.24 C ATOM 1113 O TYR A 80 5.663 -1.958 5.045 1.00 23.12 O ATOM 1114 CB TYR A 80 7.320 -0.633 3.174 1.00 31.21 C ATOM 1115 CG TYR A 80 7.971 0.350 2.241 1.00 2.41 C ATOM 1116 CD1 TYR A 80 8.039 1.705 2.538 1.00 61.10 C ATOM 1117 CD2 TYR A 80 8.519 -0.085 1.064 1.00 34.32 C ATOM 1118 CE1 TYR A 80 8.639 2.584 1.665 1.00 64.55 C ATOM 1119 CE2 TYR A 80 9.120 0.778 0.194 1.00 34.15 C ATOM 1120 CZ TYR A 80 9.177 2.110 0.490 1.00 62.42 C ATOM 1121 OH TYR A 80 9.769 2.969 -0.393 1.00 30.43 O ATOM 0 H TYR A 80 5.316 0.766 4.226 1.00 1.34 H new ATOM 0 HA TYR A 80 5.619 -1.043 1.928 1.00 42.35 H new ATOM 0 HB2 TYR A 80 7.503 -0.316 4.201 1.00 31.21 H new ATOM 0 HB3 TYR A 80 7.799 -1.604 3.050 1.00 31.21 H new ATOM 0 HD1 TYR A 80 7.617 2.072 3.462 1.00 61.10 H new ATOM 0 HD2 TYR A 80 8.475 -1.136 0.818 1.00 34.32 H new ATOM 0 HE1 TYR A 80 8.687 3.637 1.900 1.00 64.55 H new ATOM 0 HE2 TYR A 80 9.549 0.409 -0.726 1.00 34.15 H new ATOM 0 HH TYR A 80 10.096 2.467 -1.168 1.00 30.43 H new ATOM 1131 N LEU A 81 4.479 -2.763 3.319 1.00 72.31 N ATOM 1132 CA LEU A 81 3.979 -3.906 4.056 1.00 2.15 C ATOM 1133 C LEU A 81 5.057 -4.963 4.088 1.00 54.03 C ATOM 1134 O LEU A 81 5.477 -5.456 3.032 1.00 43.04 O ATOM 1135 CB LEU A 81 2.718 -4.479 3.388 1.00 31.04 C ATOM 1136 CG LEU A 81 1.490 -3.562 3.319 1.00 62.22 C ATOM 1137 CD1 LEU A 81 0.389 -4.235 2.522 1.00 20.21 C ATOM 1138 CD2 LEU A 81 0.981 -3.234 4.717 1.00 74.50 C ATOM 0 H LEU A 81 4.128 -2.690 2.364 1.00 72.31 H new ATOM 0 HA LEU A 81 3.717 -3.595 5.067 1.00 2.15 H new ATOM 0 HB2 LEU A 81 2.978 -4.775 2.372 1.00 31.04 H new ATOM 0 HB3 LEU A 81 2.434 -5.386 3.922 1.00 31.04 H new ATOM 0 HG LEU A 81 1.782 -2.634 2.828 1.00 62.22 H new ATOM 0 HD11 LEU A 81 -0.480 -3.579 2.477 1.00 20.21 H new ATOM 0 HD12 LEU A 81 0.743 -4.438 1.511 1.00 20.21 H new ATOM 0 HD13 LEU A 81 0.111 -5.172 3.004 1.00 20.21 H new ATOM 0 HD21 LEU A 81 0.110 -2.583 4.644 1.00 74.50 H new ATOM 0 HD22 LEU A 81 0.703 -4.156 5.228 1.00 74.50 H new ATOM 0 HD23 LEU A 81 1.765 -2.729 5.281 1.00 74.50 H new ATOM 1146 N ILE A 82 5.524 -5.289 5.266 1.00 51.11 N ATOM 1147 CA ILE A 82 6.552 -6.274 5.409 1.00 2.24 C ATOM 1148 C ILE A 82 5.912 -7.648 5.531 1.00 12.14 C ATOM 1149 O ILE A 82 5.379 -8.020 6.587 1.00 73.33 O ATOM 1150 CB ILE A 82 7.469 -5.984 6.619 1.00 2.10 C ATOM 1151 CG1 ILE A 82 8.087 -4.572 6.514 1.00 55.02 C ATOM 1152 CG2 ILE A 82 8.558 -7.017 6.685 1.00 60.32 C ATOM 1153 CD1 ILE A 82 8.951 -4.341 5.280 1.00 65.51 C ATOM 0 H ILE A 82 5.202 -4.880 6.143 1.00 51.11 H new ATOM 0 HA ILE A 82 7.186 -6.242 4.523 1.00 2.24 H new ATOM 0 HB ILE A 82 6.870 -6.028 7.528 1.00 2.10 H new ATOM 0 HG12 ILE A 82 7.282 -3.837 6.519 1.00 55.02 H new ATOM 0 HG13 ILE A 82 8.691 -4.388 7.402 1.00 55.02 H new ATOM 0 HG21 ILE A 82 9.204 -6.811 7.539 1.00 60.32 H new ATOM 0 HG22 ILE A 82 8.115 -8.007 6.796 1.00 60.32 H new ATOM 0 HG23 ILE A 82 9.147 -6.984 5.768 1.00 60.32 H new ATOM 0 HD11 ILE A 82 9.340 -3.323 5.294 1.00 65.51 H new ATOM 0 HD12 ILE A 82 9.781 -5.047 5.280 1.00 65.51 H new ATOM 0 HD13 ILE A 82 8.350 -4.487 4.382 1.00 65.51 H new ATOM 1160 N THR A 83 5.956 -8.375 4.447 1.00 5.40 N ATOM 1161 CA THR A 83 5.280 -9.641 4.318 1.00 14.11 C ATOM 1162 C THR A 83 5.921 -10.804 5.071 1.00 24.25 C ATOM 1163 O THR A 83 5.471 -11.177 6.153 1.00 62.25 O ATOM 1164 CB THR A 83 5.116 -9.992 2.851 1.00 2.12 C ATOM 1165 OG1 THR A 83 6.385 -9.864 2.178 1.00 22.21 O ATOM 1166 CG2 THR A 83 4.077 -9.113 2.213 1.00 2.02 C ATOM 0 H THR A 83 6.472 -8.100 3.612 1.00 5.40 H new ATOM 0 HA THR A 83 4.310 -9.499 4.795 1.00 14.11 H new ATOM 0 HB THR A 83 4.777 -11.024 2.765 1.00 2.12 H new ATOM 0 HG1 THR A 83 6.462 -8.966 1.792 1.00 22.21 H new ATOM 0 HG21 THR A 83 3.972 -9.378 1.161 1.00 2.02 H new ATOM 0 HG22 THR A 83 3.122 -9.252 2.719 1.00 2.02 H new ATOM 0 HG23 THR A 83 4.382 -8.070 2.295 1.00 2.02 H new ATOM 1172 N LYS A 84 6.953 -11.373 4.507 1.00 14.03 N ATOM 1173 CA LYS A 84 7.572 -12.530 5.085 1.00 14.23 C ATOM 1174 C LYS A 84 9.069 -12.311 5.039 1.00 34.14 C ATOM 1175 O LYS A 84 9.520 -11.374 4.380 1.00 62.25 O ATOM 1176 CB LYS A 84 7.142 -13.774 4.288 1.00 43.53 C ATOM 1177 CG LYS A 84 7.252 -15.119 5.024 1.00 65.02 C ATOM 1178 CD LYS A 84 6.449 -15.105 6.338 1.00 73.15 C ATOM 1179 CE LYS A 84 6.351 -16.489 6.992 1.00 33.31 C ATOM 1180 NZ LYS A 84 5.468 -17.426 6.238 1.00 64.24 N ATOM 0 H LYS A 84 7.384 -11.049 3.641 1.00 14.03 H new ATOM 0 HA LYS A 84 7.270 -12.686 6.121 1.00 14.23 H new ATOM 0 HB2 LYS A 84 6.107 -13.639 3.973 1.00 43.53 H new ATOM 0 HB3 LYS A 84 7.747 -13.828 3.383 1.00 43.53 H new ATOM 0 HG2 LYS A 84 6.886 -15.919 4.380 1.00 65.02 H new ATOM 0 HG3 LYS A 84 8.299 -15.335 5.237 1.00 65.02 H new ATOM 0 HD2 LYS A 84 6.917 -14.411 7.036 1.00 73.15 H new ATOM 0 HD3 LYS A 84 5.445 -14.730 6.140 1.00 73.15 H new ATOM 0 HE2 LYS A 84 7.349 -16.921 7.069 1.00 33.31 H new ATOM 0 HE3 LYS A 84 5.972 -16.379 8.008 1.00 33.31 H new ATOM 0 HZ1 LYS A 84 5.801 -18.402 6.374 1.00 64.24 H new ATOM 0 HZ2 LYS A 84 4.492 -17.341 6.588 1.00 64.24 H new ATOM 0 HZ3 LYS A 84 5.494 -17.189 5.226 1.00 64.24 H new ATOM 1194 N LYS A 85 9.830 -13.172 5.703 1.00 50.15 N ATOM 1195 CA LYS A 85 11.276 -12.986 5.876 1.00 51.21 C ATOM 1196 C LYS A 85 11.999 -12.841 4.508 1.00 34.24 C ATOM 1197 O LYS A 85 12.794 -11.926 4.302 1.00 1.31 O ATOM 1198 CB LYS A 85 11.836 -14.180 6.674 1.00 53.01 C ATOM 1199 CG LYS A 85 13.156 -13.947 7.402 1.00 14.21 C ATOM 1200 CD LYS A 85 14.337 -13.692 6.501 1.00 70.14 C ATOM 1201 CE LYS A 85 15.554 -13.395 7.329 1.00 30.34 C ATOM 1202 NZ LYS A 85 15.386 -12.147 8.131 1.00 51.04 N ATOM 0 H LYS A 85 9.468 -14.020 6.139 1.00 50.15 H new ATOM 0 HA LYS A 85 11.455 -12.062 6.425 1.00 51.21 H new ATOM 0 HB2 LYS A 85 11.089 -14.481 7.408 1.00 53.01 H new ATOM 0 HB3 LYS A 85 11.966 -15.018 5.989 1.00 53.01 H new ATOM 0 HG2 LYS A 85 13.039 -13.097 8.074 1.00 14.21 H new ATOM 0 HG3 LYS A 85 13.371 -14.817 8.023 1.00 14.21 H new ATOM 0 HD2 LYS A 85 14.519 -14.562 5.870 1.00 70.14 H new ATOM 0 HD3 LYS A 85 14.125 -12.855 5.836 1.00 70.14 H new ATOM 0 HE2 LYS A 85 15.753 -14.233 7.997 1.00 30.34 H new ATOM 0 HE3 LYS A 85 16.422 -13.294 6.677 1.00 30.34 H new ATOM 0 HZ1 LYS A 85 16.100 -11.449 7.840 1.00 51.04 H new ATOM 0 HZ2 LYS A 85 14.435 -11.757 7.972 1.00 51.04 H new ATOM 0 HZ3 LYS A 85 15.506 -12.365 9.141 1.00 51.04 H new ATOM 1216 N ARG A 86 11.683 -13.719 3.591 1.00 2.41 N ATOM 1217 CA ARG A 86 12.302 -13.736 2.269 1.00 5.31 C ATOM 1218 C ARG A 86 11.220 -13.862 1.234 1.00 22.03 C ATOM 1219 O ARG A 86 10.170 -14.405 1.529 1.00 1.55 O ATOM 1220 CB ARG A 86 13.276 -14.921 2.154 1.00 74.12 C ATOM 1221 CG ARG A 86 14.501 -14.818 3.048 1.00 65.44 C ATOM 1222 CD ARG A 86 15.490 -13.769 2.551 1.00 14.11 C ATOM 1223 NE ARG A 86 16.065 -14.165 1.262 1.00 54.51 N ATOM 1224 CZ ARG A 86 17.138 -13.618 0.681 1.00 71.11 C ATOM 1225 NH1 ARG A 86 17.758 -12.569 1.229 1.00 52.11 N ATOM 1226 NH2 ARG A 86 17.590 -14.132 -0.460 1.00 12.02 N ATOM 0 H ARG A 86 10.986 -14.451 3.731 1.00 2.41 H new ATOM 0 HA ARG A 86 12.861 -12.813 2.114 1.00 5.31 H new ATOM 0 HB2 ARG A 86 12.741 -15.839 2.396 1.00 74.12 H new ATOM 0 HB3 ARG A 86 13.604 -15.006 1.118 1.00 74.12 H new ATOM 0 HG2 ARG A 86 14.189 -14.569 4.062 1.00 65.44 H new ATOM 0 HG3 ARG A 86 14.996 -15.788 3.096 1.00 65.44 H new ATOM 0 HD2 ARG A 86 14.987 -12.807 2.450 1.00 14.11 H new ATOM 0 HD3 ARG A 86 16.286 -13.637 3.284 1.00 14.11 H new ATOM 0 HE ARG A 86 15.605 -14.927 0.763 1.00 54.51 H new ATOM 0 HH11 ARG A 86 17.414 -12.173 2.104 1.00 52.11 H new ATOM 0 HH12 ARG A 86 18.575 -12.164 0.772 1.00 52.11 H new ATOM 0 HH21 ARG A 86 17.119 -14.933 -0.880 1.00 12.02 H new ATOM 0 HH22 ARG A 86 18.407 -13.725 -0.914 1.00 12.02 H new ATOM 1238 N ALA A 87 11.485 -13.387 0.028 1.00 1.05 N ATOM 1239 CA ALA A 87 10.498 -13.404 -1.061 1.00 22.42 C ATOM 1240 C ALA A 87 10.210 -14.830 -1.530 1.00 45.30 C ATOM 1241 O ALA A 87 9.165 -15.110 -2.107 1.00 55.42 O ATOM 1242 CB ALA A 87 10.980 -12.543 -2.219 1.00 21.21 C ATOM 0 H ALA A 87 12.383 -12.979 -0.232 1.00 1.05 H new ATOM 0 HA ALA A 87 9.565 -12.989 -0.679 1.00 22.42 H new ATOM 0 HB1 ALA A 87 10.241 -12.563 -3.020 1.00 21.21 H new ATOM 0 HB2 ALA A 87 11.117 -11.517 -1.877 1.00 21.21 H new ATOM 0 HB3 ALA A 87 11.928 -12.931 -2.591 1.00 21.21 H new ATOM 1248 N SER A 88 11.153 -15.725 -1.287 1.00 70.34 N ATOM 1249 CA SER A 88 10.984 -17.113 -1.642 1.00 14.34 C ATOM 1250 C SER A 88 10.139 -17.854 -0.590 1.00 22.34 C ATOM 1251 O SER A 88 9.795 -19.025 -0.759 1.00 42.40 O ATOM 1252 CB SER A 88 12.344 -17.759 -1.822 1.00 63.44 C ATOM 1253 OG SER A 88 13.083 -17.051 -2.806 1.00 14.02 O ATOM 0 H SER A 88 12.045 -15.508 -0.843 1.00 70.34 H new ATOM 0 HA SER A 88 10.443 -17.177 -2.586 1.00 14.34 H new ATOM 0 HB2 SER A 88 12.886 -17.759 -0.876 1.00 63.44 H new ATOM 0 HB3 SER A 88 12.226 -18.800 -2.121 1.00 63.44 H new ATOM 0 HG SER A 88 13.962 -17.469 -2.919 1.00 14.02 H new ATOM 1259 N HIS A 89 9.811 -17.160 0.483 1.00 33.15 N ATOM 1260 CA HIS A 89 8.944 -17.701 1.517 1.00 31.03 C ATOM 1261 C HIS A 89 7.599 -17.099 1.257 1.00 13.44 C ATOM 1262 O HIS A 89 7.529 -15.937 0.865 1.00 62.32 O ATOM 1263 CB HIS A 89 9.377 -17.259 2.945 1.00 52.30 C ATOM 1264 CG HIS A 89 10.763 -17.632 3.395 1.00 24.21 C ATOM 1265 ND1 HIS A 89 11.313 -17.158 4.573 1.00 12.13 N ATOM 1266 CD2 HIS A 89 11.722 -18.395 2.827 1.00 33.13 C ATOM 1267 CE1 HIS A 89 12.540 -17.603 4.701 1.00 43.33 C ATOM 1268 NE2 HIS A 89 12.811 -18.351 3.663 1.00 53.31 N ATOM 0 H HIS A 89 10.135 -16.210 0.664 1.00 33.15 H new ATOM 0 HA HIS A 89 8.969 -18.790 1.483 1.00 31.03 H new ATOM 0 HB2 HIS A 89 9.284 -16.175 3.005 1.00 52.30 H new ATOM 0 HB3 HIS A 89 8.667 -17.679 3.657 1.00 52.30 H new ATOM 0 HD2 HIS A 89 11.647 -18.936 1.895 1.00 33.13 H new ATOM 0 HE1 HIS A 89 13.210 -17.389 5.521 1.00 43.33 H new ATOM 0 HE2 HIS A 89 13.697 -18.829 3.499 1.00 53.31 H new ATOM 1277 N LYS A 90 6.546 -17.825 1.458 1.00 24.11 N ATOM 1278 CA LYS A 90 5.265 -17.234 1.223 1.00 1.13 C ATOM 1279 C LYS A 90 4.815 -16.527 2.486 1.00 35.42 C ATOM 1280 O LYS A 90 5.000 -17.056 3.604 1.00 51.10 O ATOM 1281 CB LYS A 90 4.197 -18.252 0.765 1.00 13.40 C ATOM 1282 CG LYS A 90 3.811 -19.301 1.796 1.00 31.22 C ATOM 1283 CD LYS A 90 2.648 -20.135 1.300 1.00 64.11 C ATOM 1284 CE LYS A 90 2.209 -21.145 2.336 1.00 22.35 C ATOM 1285 NZ LYS A 90 1.033 -21.919 1.891 1.00 10.44 N ATOM 0 H LYS A 90 6.542 -18.795 1.773 1.00 24.11 H new ATOM 0 HA LYS A 90 5.373 -16.525 0.402 1.00 1.13 H new ATOM 0 HB2 LYS A 90 3.300 -17.706 0.474 1.00 13.40 H new ATOM 0 HB3 LYS A 90 4.563 -18.761 -0.127 1.00 13.40 H new ATOM 0 HG2 LYS A 90 4.665 -19.946 2.004 1.00 31.22 H new ATOM 0 HG3 LYS A 90 3.543 -18.815 2.734 1.00 31.22 H new ATOM 0 HD2 LYS A 90 1.812 -19.482 1.049 1.00 64.11 H new ATOM 0 HD3 LYS A 90 2.934 -20.652 0.384 1.00 64.11 H new ATOM 0 HE2 LYS A 90 3.032 -21.827 2.549 1.00 22.35 H new ATOM 0 HE3 LYS A 90 1.973 -20.630 3.267 1.00 22.35 H new ATOM 0 HZ1 LYS A 90 0.765 -22.600 2.630 1.00 10.44 H new ATOM 0 HZ2 LYS A 90 0.239 -21.272 1.712 1.00 10.44 H new ATOM 0 HZ3 LYS A 90 1.265 -22.432 1.017 1.00 10.44 H new ATOM 1299 N PRO A 91 4.292 -15.316 2.364 1.00 23.10 N ATOM 1300 CA PRO A 91 3.780 -14.586 3.498 1.00 51.23 C ATOM 1301 C PRO A 91 2.561 -15.254 4.061 1.00 13.24 C ATOM 1302 O PRO A 91 1.732 -15.788 3.323 1.00 74.44 O ATOM 1303 CB PRO A 91 3.404 -13.214 2.930 1.00 10.42 C ATOM 1304 CG PRO A 91 4.085 -13.139 1.606 1.00 55.03 C ATOM 1305 CD PRO A 91 4.173 -14.546 1.115 1.00 41.24 C ATOM 0 HA PRO A 91 4.508 -14.528 4.307 1.00 51.23 H new ATOM 0 HB2 PRO A 91 2.324 -13.115 2.823 1.00 10.42 H new ATOM 0 HB3 PRO A 91 3.735 -12.411 3.589 1.00 10.42 H new ATOM 0 HG2 PRO A 91 3.521 -12.517 0.911 1.00 55.03 H new ATOM 0 HG3 PRO A 91 5.076 -12.695 1.700 1.00 55.03 H new ATOM 0 HD2 PRO A 91 3.289 -14.832 0.545 1.00 41.24 H new ATOM 0 HD3 PRO A 91 5.034 -14.695 0.464 1.00 41.24 H new ATOM 1313 N THR A 92 2.448 -15.248 5.351 1.00 3.14 N ATOM 1314 CA THR A 92 1.303 -15.804 5.955 1.00 72.34 C ATOM 1315 C THR A 92 0.239 -14.713 5.923 1.00 21.24 C ATOM 1316 O THR A 92 0.581 -13.515 5.915 1.00 60.41 O ATOM 1317 CB THR A 92 1.643 -16.174 7.411 1.00 42.41 C ATOM 1318 OG1 THR A 92 2.862 -16.945 7.424 1.00 35.34 O ATOM 1319 CG2 THR A 92 0.534 -16.998 8.051 1.00 43.32 C ATOM 0 H THR A 92 3.138 -14.863 5.996 1.00 3.14 H new ATOM 0 HA THR A 92 0.957 -16.702 5.443 1.00 72.34 H new ATOM 0 HB THR A 92 1.758 -15.252 7.981 1.00 42.41 H new ATOM 0 HG1 THR A 92 3.088 -17.184 8.347 1.00 35.34 H new ATOM 0 HG21 THR A 92 0.808 -17.241 9.078 1.00 43.32 H new ATOM 0 HG22 THR A 92 -0.393 -16.425 8.049 1.00 43.32 H new ATOM 0 HG23 THR A 92 0.392 -17.919 7.485 1.00 43.32 H new ATOM 1325 N TYR A 93 -1.014 -15.076 5.933 1.00 51.02 N ATOM 1326 CA TYR A 93 -2.051 -14.084 5.862 1.00 35.25 C ATOM 1327 C TYR A 93 -2.156 -13.281 7.142 1.00 73.04 C ATOM 1328 O TYR A 93 -2.482 -12.106 7.115 1.00 33.12 O ATOM 1329 CB TYR A 93 -3.380 -14.653 5.362 1.00 62.13 C ATOM 1330 CG TYR A 93 -3.340 -15.040 3.887 1.00 60.43 C ATOM 1331 CD1 TYR A 93 -3.603 -14.093 2.903 1.00 53.13 C ATOM 1332 CD2 TYR A 93 -3.042 -16.334 3.481 1.00 71.13 C ATOM 1333 CE1 TYR A 93 -3.572 -14.420 1.563 1.00 3.55 C ATOM 1334 CE2 TYR A 93 -3.009 -16.670 2.134 1.00 74.33 C ATOM 1335 CZ TYR A 93 -3.276 -15.705 1.180 1.00 25.14 C ATOM 1336 OH TYR A 93 -3.252 -16.032 -0.165 1.00 54.44 O ATOM 0 H TYR A 93 -1.340 -16.041 5.989 1.00 51.02 H new ATOM 0 HA TYR A 93 -1.759 -13.366 5.096 1.00 35.25 H new ATOM 0 HB2 TYR A 93 -3.641 -15.529 5.956 1.00 62.13 H new ATOM 0 HB3 TYR A 93 -4.167 -13.916 5.518 1.00 62.13 H new ATOM 0 HD1 TYR A 93 -3.837 -13.080 3.194 1.00 53.13 H new ATOM 0 HD2 TYR A 93 -2.833 -17.090 4.223 1.00 71.13 H new ATOM 0 HE1 TYR A 93 -3.780 -13.667 0.817 1.00 3.55 H new ATOM 0 HE2 TYR A 93 -2.776 -17.681 1.833 1.00 74.33 H new ATOM 0 HH TYR A 93 -2.805 -16.896 -0.284 1.00 54.44 H new ATOM 1346 N GLU A 94 -1.837 -13.914 8.263 1.00 21.34 N ATOM 1347 CA GLU A 94 -1.811 -13.217 9.542 1.00 34.03 C ATOM 1348 C GLU A 94 -0.750 -12.094 9.517 1.00 71.22 C ATOM 1349 O GLU A 94 -0.978 -10.995 10.037 1.00 72.13 O ATOM 1350 CB GLU A 94 -1.500 -14.181 10.673 1.00 30.13 C ATOM 1351 CG GLU A 94 -1.496 -13.516 12.034 1.00 54.14 C ATOM 1352 CD GLU A 94 -1.084 -14.443 13.124 1.00 5.32 C ATOM 1353 OE1 GLU A 94 -1.956 -15.119 13.706 1.00 25.33 O ATOM 1354 OE2 GLU A 94 0.119 -14.513 13.424 1.00 24.32 O ATOM 0 H GLU A 94 -1.594 -14.903 8.313 1.00 21.34 H new ATOM 0 HA GLU A 94 -2.796 -12.781 9.710 1.00 34.03 H new ATOM 0 HB2 GLU A 94 -2.236 -14.985 10.670 1.00 30.13 H new ATOM 0 HB3 GLU A 94 -0.527 -14.639 10.496 1.00 30.13 H new ATOM 0 HG2 GLU A 94 -0.820 -12.661 12.014 1.00 54.14 H new ATOM 0 HG3 GLU A 94 -2.492 -13.130 12.248 1.00 54.14 H new ATOM 1361 N ASN A 95 0.401 -12.383 8.889 1.00 74.54 N ATOM 1362 CA ASN A 95 1.498 -11.407 8.774 1.00 43.31 C ATOM 1363 C ASN A 95 1.018 -10.203 7.993 1.00 31.22 C ATOM 1364 O ASN A 95 1.211 -9.055 8.398 1.00 22.51 O ATOM 1365 CB ASN A 95 2.712 -12.005 8.032 1.00 50.11 C ATOM 1366 CG ASN A 95 3.330 -13.241 8.675 1.00 33.12 C ATOM 1367 OD1 ASN A 95 3.866 -14.095 7.975 1.00 14.45 O ATOM 1368 ND2 ASN A 95 3.263 -13.360 9.979 1.00 5.11 N ATOM 0 H ASN A 95 0.597 -13.284 8.453 1.00 74.54 H new ATOM 0 HA ASN A 95 1.801 -11.127 9.783 1.00 43.31 H new ATOM 0 HB2 ASN A 95 2.406 -12.259 7.017 1.00 50.11 H new ATOM 0 HB3 ASN A 95 3.481 -11.236 7.950 1.00 50.11 H new ATOM 0 HD21 ASN A 95 3.663 -14.179 10.438 1.00 5.11 H new ATOM 0 HD22 ASN A 95 2.811 -12.634 10.535 1.00 5.11 H new ATOM 1374 N LEU A 96 0.371 -10.478 6.879 1.00 20.15 N ATOM 1375 CA LEU A 96 -0.152 -9.444 6.010 1.00 3.02 C ATOM 1376 C LEU A 96 -1.231 -8.632 6.733 1.00 51.03 C ATOM 1377 O LEU A 96 -1.264 -7.402 6.630 1.00 51.31 O ATOM 1378 CB LEU A 96 -0.713 -10.072 4.734 1.00 11.34 C ATOM 1379 CG LEU A 96 -1.248 -9.104 3.679 1.00 51.35 C ATOM 1380 CD1 LEU A 96 -0.146 -8.175 3.183 1.00 54.24 C ATOM 1381 CD2 LEU A 96 -1.851 -9.872 2.528 1.00 23.44 C ATOM 0 H LEU A 96 0.193 -11.427 6.550 1.00 20.15 H new ATOM 0 HA LEU A 96 0.658 -8.766 5.739 1.00 3.02 H new ATOM 0 HB2 LEU A 96 0.071 -10.676 4.277 1.00 11.34 H new ATOM 0 HB3 LEU A 96 -1.518 -10.752 5.013 1.00 11.34 H new ATOM 0 HG LEU A 96 -2.024 -8.490 4.137 1.00 51.35 H new ATOM 0 HD11 LEU A 96 -0.552 -7.496 2.433 1.00 54.24 H new ATOM 0 HD12 LEU A 96 0.247 -7.598 4.020 1.00 54.24 H new ATOM 0 HD13 LEU A 96 0.656 -8.766 2.741 1.00 54.24 H new ATOM 0 HD21 LEU A 96 -2.229 -9.173 1.782 1.00 23.44 H new ATOM 0 HD22 LEU A 96 -1.090 -10.508 2.076 1.00 23.44 H new ATOM 0 HD23 LEU A 96 -2.670 -10.491 2.893 1.00 23.44 H new ATOM 1389 N GLN A 97 -2.084 -9.330 7.483 1.00 61.24 N ATOM 1390 CA GLN A 97 -3.154 -8.713 8.250 1.00 52.15 C ATOM 1391 C GLN A 97 -2.585 -7.663 9.200 1.00 15.24 C ATOM 1392 O GLN A 97 -3.027 -6.517 9.204 1.00 23.14 O ATOM 1393 CB GLN A 97 -3.903 -9.777 9.053 1.00 72.13 C ATOM 1394 CG GLN A 97 -5.109 -9.255 9.811 1.00 74.41 C ATOM 1395 CD GLN A 97 -5.756 -10.317 10.670 1.00 5.43 C ATOM 1396 OE1 GLN A 97 -5.081 -11.225 11.172 1.00 14.02 O ATOM 1397 NE2 GLN A 97 -7.054 -10.232 10.840 1.00 3.45 N ATOM 0 H GLN A 97 -2.048 -10.345 7.573 1.00 61.24 H new ATOM 0 HA GLN A 97 -3.845 -8.231 7.558 1.00 52.15 H new ATOM 0 HB2 GLN A 97 -4.229 -10.565 8.374 1.00 72.13 H new ATOM 0 HB3 GLN A 97 -3.212 -10.233 9.762 1.00 72.13 H new ATOM 0 HG2 GLN A 97 -4.805 -8.419 10.440 1.00 74.41 H new ATOM 0 HG3 GLN A 97 -5.841 -8.870 9.102 1.00 74.41 H new ATOM 0 HE21 GLN A 97 -7.576 -9.468 10.410 1.00 3.45 H new ATOM 0 HE22 GLN A 97 -7.541 -10.929 11.402 1.00 3.45 H new ATOM 1405 N LYS A 98 -1.573 -8.058 9.978 1.00 65.03 N ATOM 1406 CA LYS A 98 -0.944 -7.161 10.944 1.00 15.01 C ATOM 1407 C LYS A 98 -0.305 -5.965 10.259 1.00 22.00 C ATOM 1408 O LYS A 98 -0.275 -4.860 10.817 1.00 2.41 O ATOM 1409 CB LYS A 98 0.093 -7.890 11.787 1.00 51.52 C ATOM 1410 CG LYS A 98 -0.472 -9.027 12.608 1.00 2.34 C ATOM 1411 CD LYS A 98 0.599 -9.645 13.478 1.00 54.43 C ATOM 1412 CE LYS A 98 0.053 -10.795 14.307 1.00 20.11 C ATOM 1413 NZ LYS A 98 -1.072 -10.382 15.181 1.00 30.04 N ATOM 0 H LYS A 98 -1.173 -8.996 9.955 1.00 65.03 H new ATOM 0 HA LYS A 98 -1.735 -6.801 11.602 1.00 15.01 H new ATOM 0 HB2 LYS A 98 0.871 -8.281 11.131 1.00 51.52 H new ATOM 0 HB3 LYS A 98 0.571 -7.174 12.456 1.00 51.52 H new ATOM 0 HG2 LYS A 98 -1.287 -8.661 13.232 1.00 2.34 H new ATOM 0 HG3 LYS A 98 -0.892 -9.785 11.947 1.00 2.34 H new ATOM 0 HD2 LYS A 98 1.416 -10.003 12.851 1.00 54.43 H new ATOM 0 HD3 LYS A 98 1.015 -8.885 14.139 1.00 54.43 H new ATOM 0 HE2 LYS A 98 -0.281 -11.591 13.642 1.00 20.11 H new ATOM 0 HE3 LYS A 98 0.853 -11.208 14.921 1.00 20.11 H new ATOM 0 HZ1 LYS A 98 -1.263 -11.130 15.877 1.00 30.04 H new ATOM 0 HZ2 LYS A 98 -0.821 -9.503 15.677 1.00 30.04 H new ATOM 0 HZ3 LYS A 98 -1.921 -10.223 14.602 1.00 30.04 H new ATOM 1427 N SER A 99 0.182 -6.182 9.057 1.00 61.13 N ATOM 1428 CA SER A 99 0.797 -5.134 8.280 1.00 54.22 C ATOM 1429 C SER A 99 -0.277 -4.105 7.851 1.00 71.51 C ATOM 1430 O SER A 99 -0.075 -2.886 7.957 1.00 21.10 O ATOM 1431 CB SER A 99 1.491 -5.747 7.063 1.00 61.44 C ATOM 1432 OG SER A 99 2.429 -6.736 7.456 1.00 21.34 O ATOM 0 H SER A 99 0.162 -7.090 8.593 1.00 61.13 H new ATOM 0 HA SER A 99 1.545 -4.615 8.879 1.00 54.22 H new ATOM 0 HB2 SER A 99 0.747 -6.189 6.400 1.00 61.44 H new ATOM 0 HB3 SER A 99 1.997 -4.965 6.497 1.00 61.44 H new ATOM 0 HG SER A 99 1.955 -7.562 7.689 1.00 21.34 H new ATOM 1438 N LEU A 100 -1.425 -4.611 7.400 1.00 54.24 N ATOM 1439 CA LEU A 100 -2.554 -3.765 6.994 1.00 61.11 C ATOM 1440 C LEU A 100 -3.071 -2.994 8.197 1.00 65.31 C ATOM 1441 O LEU A 100 -3.401 -1.805 8.107 1.00 21.51 O ATOM 1442 CB LEU A 100 -3.678 -4.627 6.417 1.00 20.53 C ATOM 1443 CG LEU A 100 -3.336 -5.473 5.190 1.00 0.12 C ATOM 1444 CD1 LEU A 100 -4.511 -6.331 4.812 1.00 4.14 C ATOM 1445 CD2 LEU A 100 -2.934 -4.600 4.017 1.00 50.41 C ATOM 0 H LEU A 100 -1.601 -5.611 7.305 1.00 54.24 H new ATOM 0 HA LEU A 100 -2.215 -3.065 6.230 1.00 61.11 H new ATOM 0 HB2 LEU A 100 -4.032 -5.295 7.203 1.00 20.53 H new ATOM 0 HB3 LEU A 100 -4.510 -3.972 6.157 1.00 20.53 H new ATOM 0 HG LEU A 100 -2.490 -6.111 5.444 1.00 0.12 H new ATOM 0 HD11 LEU A 100 -4.258 -6.930 3.937 1.00 4.14 H new ATOM 0 HD12 LEU A 100 -4.762 -6.990 5.643 1.00 4.14 H new ATOM 0 HD13 LEU A 100 -5.366 -5.696 4.582 1.00 4.14 H new ATOM 0 HD21 LEU A 100 -2.697 -5.230 3.159 1.00 50.41 H new ATOM 0 HD22 LEU A 100 -3.757 -3.933 3.761 1.00 50.41 H new ATOM 0 HD23 LEU A 100 -2.059 -4.009 4.286 1.00 50.41 H new ATOM 1453 N GLU A 101 -3.110 -3.691 9.319 1.00 24.25 N ATOM 1454 CA GLU A 101 -3.516 -3.125 10.618 1.00 3.54 C ATOM 1455 C GLU A 101 -2.651 -1.933 10.955 1.00 73.15 C ATOM 1456 O GLU A 101 -3.153 -0.856 11.288 1.00 30.42 O ATOM 1457 CB GLU A 101 -3.368 -4.182 11.721 1.00 45.51 C ATOM 1458 CG GLU A 101 -4.426 -5.274 11.724 1.00 13.03 C ATOM 1459 CD GLU A 101 -5.737 -4.797 12.296 1.00 1.30 C ATOM 1460 OE1 GLU A 101 -6.576 -4.267 11.563 1.00 53.02 O ATOM 1461 OE2 GLU A 101 -5.947 -4.956 13.515 1.00 13.51 O ATOM 0 H GLU A 101 -2.860 -4.679 9.367 1.00 24.25 H new ATOM 0 HA GLU A 101 -4.558 -2.812 10.551 1.00 3.54 H new ATOM 0 HB2 GLU A 101 -2.388 -4.649 11.624 1.00 45.51 H new ATOM 0 HB3 GLU A 101 -3.387 -3.679 12.688 1.00 45.51 H new ATOM 0 HG2 GLU A 101 -4.584 -5.627 10.705 1.00 13.03 H new ATOM 0 HG3 GLU A 101 -4.066 -6.124 12.304 1.00 13.03 H new ATOM 1468 N ALA A 102 -1.352 -2.130 10.822 1.00 63.12 N ATOM 1469 CA ALA A 102 -0.375 -1.115 11.125 1.00 2.33 C ATOM 1470 C ALA A 102 -0.539 0.113 10.224 1.00 0.33 C ATOM 1471 O ALA A 102 -0.397 1.248 10.691 1.00 45.52 O ATOM 1472 CB ALA A 102 1.025 -1.687 11.038 1.00 71.45 C ATOM 0 H ALA A 102 -0.948 -3.009 10.497 1.00 63.12 H new ATOM 0 HA ALA A 102 -0.541 -0.780 12.149 1.00 2.33 H new ATOM 0 HB1 ALA A 102 1.751 -0.908 11.270 1.00 71.45 H new ATOM 0 HB2 ALA A 102 1.129 -2.504 11.752 1.00 71.45 H new ATOM 0 HB3 ALA A 102 1.203 -2.061 10.030 1.00 71.45 H new ATOM 1478 N MET A 103 -0.859 -0.107 8.931 1.00 54.35 N ATOM 1479 CA MET A 103 -1.102 1.024 8.025 1.00 3.31 C ATOM 1480 C MET A 103 -2.252 1.831 8.524 1.00 0.41 C ATOM 1481 O MET A 103 -2.164 3.044 8.622 1.00 3.32 O ATOM 1482 CB MET A 103 -1.415 0.619 6.576 1.00 14.14 C ATOM 1483 CG MET A 103 -0.322 -0.109 5.850 1.00 33.52 C ATOM 1484 SD MET A 103 -0.633 -0.237 4.070 1.00 12.24 S ATOM 1485 CE MET A 103 -2.232 -1.029 4.024 1.00 54.25 C ATOM 0 H MET A 103 -0.952 -1.029 8.505 1.00 54.35 H new ATOM 0 HA MET A 103 -0.171 1.590 8.015 1.00 3.31 H new ATOM 0 HB2 MET A 103 -2.305 -0.010 6.579 1.00 14.14 H new ATOM 0 HB3 MET A 103 -1.663 1.519 6.013 1.00 14.14 H new ATOM 0 HG2 MET A 103 0.624 0.407 6.014 1.00 33.52 H new ATOM 0 HG3 MET A 103 -0.216 -1.109 6.269 1.00 33.52 H new ATOM 0 HE1 MET A 103 -2.197 -1.880 3.344 1.00 54.25 H new ATOM 0 HE2 MET A 103 -2.496 -1.374 5.024 1.00 54.25 H new ATOM 0 HE3 MET A 103 -2.981 -0.317 3.676 1.00 54.25 H new ATOM 1495 N LYS A 104 -3.323 1.138 8.850 1.00 61.43 N ATOM 1496 CA LYS A 104 -4.540 1.742 9.324 1.00 61.13 C ATOM 1497 C LYS A 104 -4.314 2.608 10.546 1.00 34.14 C ATOM 1498 O LYS A 104 -4.643 3.790 10.531 1.00 71.15 O ATOM 1499 CB LYS A 104 -5.535 0.676 9.607 1.00 32.32 C ATOM 1500 CG LYS A 104 -6.861 1.193 10.114 1.00 53.35 C ATOM 1501 CD LYS A 104 -7.793 0.058 10.374 1.00 13.24 C ATOM 1502 CE LYS A 104 -7.077 -0.980 11.175 1.00 4.24 C ATOM 1503 NZ LYS A 104 -7.957 -2.021 11.688 1.00 20.31 N ATOM 0 H LYS A 104 -3.368 0.121 8.790 1.00 61.43 H new ATOM 0 HA LYS A 104 -4.920 2.402 8.544 1.00 61.13 H new ATOM 0 HB2 LYS A 104 -5.705 0.101 8.697 1.00 32.32 H new ATOM 0 HB3 LYS A 104 -5.118 -0.010 10.344 1.00 32.32 H new ATOM 0 HG2 LYS A 104 -6.710 1.766 11.029 1.00 53.35 H new ATOM 0 HG3 LYS A 104 -7.299 1.872 9.382 1.00 53.35 H new ATOM 0 HD2 LYS A 104 -8.674 0.409 10.912 1.00 13.24 H new ATOM 0 HD3 LYS A 104 -8.143 -0.366 9.433 1.00 13.24 H new ATOM 0 HE2 LYS A 104 -6.306 -1.438 10.556 1.00 4.24 H new ATOM 0 HE3 LYS A 104 -6.570 -0.498 12.011 1.00 4.24 H new ATOM 0 HZ1 LYS A 104 -7.387 -2.823 12.024 1.00 20.31 H new ATOM 0 HZ2 LYS A 104 -8.520 -1.642 12.476 1.00 20.31 H new ATOM 0 HZ3 LYS A 104 -8.593 -2.342 10.931 1.00 20.31 H new ATOM 1517 N SER A 105 -3.728 2.031 11.583 1.00 12.12 N ATOM 1518 CA SER A 105 -3.434 2.761 12.808 1.00 12.13 C ATOM 1519 C SER A 105 -2.593 4.026 12.502 1.00 44.32 C ATOM 1520 O SER A 105 -2.868 5.125 13.025 1.00 4.14 O ATOM 1521 CB SER A 105 -2.691 1.840 13.771 1.00 15.33 C ATOM 1522 OG SER A 105 -3.436 0.654 14.016 1.00 70.40 O ATOM 0 H SER A 105 -3.444 1.051 11.601 1.00 12.12 H new ATOM 0 HA SER A 105 -4.367 3.086 13.268 1.00 12.13 H new ATOM 0 HB2 SER A 105 -1.717 1.583 13.356 1.00 15.33 H new ATOM 0 HB3 SER A 105 -2.509 2.361 14.711 1.00 15.33 H new ATOM 0 HG SER A 105 -3.318 0.033 13.267 1.00 70.40 H new ATOM 1528 N HIS A 106 -1.608 3.868 11.628 1.00 15.53 N ATOM 1529 CA HIS A 106 -0.760 4.967 11.196 1.00 12.41 C ATOM 1530 C HIS A 106 -1.573 6.037 10.441 1.00 44.31 C ATOM 1531 O HIS A 106 -1.335 7.236 10.609 1.00 53.35 O ATOM 1532 CB HIS A 106 0.375 4.438 10.296 1.00 41.44 C ATOM 1533 CG HIS A 106 1.242 5.511 9.711 1.00 0.24 C ATOM 1534 ND1 HIS A 106 0.942 6.143 8.519 1.00 43.31 N ATOM 1535 CD2 HIS A 106 2.378 6.084 10.158 1.00 72.52 C ATOM 1536 CE1 HIS A 106 1.836 7.048 8.263 1.00 71.32 C ATOM 1537 NE2 HIS A 106 2.727 7.037 9.237 1.00 11.13 N ATOM 0 H HIS A 106 -1.375 2.972 11.199 1.00 15.53 H new ATOM 0 HA HIS A 106 -0.331 5.430 12.085 1.00 12.41 H new ATOM 0 HB2 HIS A 106 0.998 3.759 10.877 1.00 41.44 H new ATOM 0 HB3 HIS A 106 -0.061 3.855 9.485 1.00 41.44 H new ATOM 0 HD1 HIS A 106 0.138 5.930 7.929 1.00 43.31 H new ATOM 0 HD2 HIS A 106 2.910 5.839 11.066 1.00 72.52 H new ATOM 0 HE1 HIS A 106 1.849 7.699 7.401 1.00 71.32 H new ATOM 1546 N CYS A 107 -2.507 5.595 9.619 1.00 64.42 N ATOM 1547 CA CYS A 107 -3.312 6.491 8.801 1.00 74.24 C ATOM 1548 C CYS A 107 -4.097 7.501 9.628 1.00 52.42 C ATOM 1549 O CYS A 107 -3.962 8.699 9.405 1.00 61.25 O ATOM 1550 CB CYS A 107 -4.230 5.721 7.854 1.00 23.11 C ATOM 1551 SG CYS A 107 -3.369 4.737 6.608 1.00 52.44 S ATOM 0 H CYS A 107 -2.731 4.607 9.498 1.00 64.42 H new ATOM 0 HA CYS A 107 -2.608 7.061 8.195 1.00 74.24 H new ATOM 0 HB2 CYS A 107 -4.867 5.061 8.443 1.00 23.11 H new ATOM 0 HB3 CYS A 107 -4.886 6.430 7.349 1.00 23.11 H new ATOM 0 HG CYS A 107 -2.574 3.892 7.195 1.00 52.44 H new ATOM 1557 N LEU A 108 -4.882 7.035 10.604 1.00 3.04 N ATOM 1558 CA LEU A 108 -5.673 7.964 11.438 1.00 20.13 C ATOM 1559 C LEU A 108 -4.761 8.921 12.199 1.00 40.11 C ATOM 1560 O LEU A 108 -5.084 10.096 12.387 1.00 11.55 O ATOM 1561 CB LEU A 108 -6.621 7.242 12.433 1.00 70.04 C ATOM 1562 CG LEU A 108 -7.776 6.394 11.859 1.00 50.51 C ATOM 1563 CD1 LEU A 108 -8.598 7.172 10.847 1.00 24.43 C ATOM 1564 CD2 LEU A 108 -7.304 5.066 11.304 1.00 62.33 C ATOM 0 H LEU A 108 -4.991 6.048 10.838 1.00 3.04 H new ATOM 0 HA LEU A 108 -6.301 8.525 10.746 1.00 20.13 H new ATOM 0 HB2 LEU A 108 -6.011 6.592 13.061 1.00 70.04 H new ATOM 0 HB3 LEU A 108 -7.057 7.999 13.086 1.00 70.04 H new ATOM 0 HG LEU A 108 -8.433 6.160 12.697 1.00 50.51 H new ATOM 0 HD11 LEU A 108 -9.400 6.540 10.467 1.00 24.43 H new ATOM 0 HD12 LEU A 108 -9.026 8.053 11.326 1.00 24.43 H new ATOM 0 HD13 LEU A 108 -7.959 7.483 10.021 1.00 24.43 H new ATOM 0 HD21 LEU A 108 -8.157 4.511 10.914 1.00 62.33 H new ATOM 0 HD22 LEU A 108 -6.587 5.241 10.502 1.00 62.33 H new ATOM 0 HD23 LEU A 108 -6.828 4.489 12.097 1.00 62.33 H new ATOM 1572 N LYS A 109 -3.615 8.416 12.596 1.00 61.22 N ATOM 1573 CA LYS A 109 -2.622 9.180 13.328 1.00 30.52 C ATOM 1574 C LYS A 109 -2.025 10.308 12.462 1.00 72.44 C ATOM 1575 O LYS A 109 -1.724 11.389 12.954 1.00 24.14 O ATOM 1576 CB LYS A 109 -1.514 8.232 13.797 1.00 24.05 C ATOM 1577 CG LYS A 109 -0.368 8.894 14.539 1.00 14.40 C ATOM 1578 CD LYS A 109 0.690 7.872 14.890 1.00 65.13 C ATOM 1579 CE LYS A 109 1.885 8.504 15.574 1.00 34.32 C ATOM 1580 NZ LYS A 109 2.929 7.501 15.880 1.00 64.34 N ATOM 0 H LYS A 109 -3.340 7.450 12.419 1.00 61.22 H new ATOM 0 HA LYS A 109 -3.104 9.648 14.187 1.00 30.52 H new ATOM 0 HB2 LYS A 109 -1.956 7.475 14.445 1.00 24.05 H new ATOM 0 HB3 LYS A 109 -1.111 7.712 12.928 1.00 24.05 H new ATOM 0 HG2 LYS A 109 0.067 9.681 13.923 1.00 14.40 H new ATOM 0 HG3 LYS A 109 -0.740 9.369 15.447 1.00 14.40 H new ATOM 0 HD2 LYS A 109 0.258 7.113 15.542 1.00 65.13 H new ATOM 0 HD3 LYS A 109 1.018 7.364 13.983 1.00 65.13 H new ATOM 0 HE2 LYS A 109 2.303 9.281 14.934 1.00 34.32 H new ATOM 0 HE3 LYS A 109 1.563 8.989 16.496 1.00 34.32 H new ATOM 0 HZ1 LYS A 109 3.732 7.968 16.348 1.00 64.34 H new ATOM 0 HZ2 LYS A 109 2.537 6.773 16.510 1.00 64.34 H new ATOM 0 HZ3 LYS A 109 3.253 7.057 14.997 1.00 64.34 H new ATOM 1594 N ASN A 110 -1.852 10.046 11.178 1.00 33.23 N ATOM 1595 CA ASN A 110 -1.240 11.042 10.270 1.00 3.33 C ATOM 1596 C ASN A 110 -2.273 11.793 9.442 1.00 44.14 C ATOM 1597 O ASN A 110 -1.916 12.627 8.610 1.00 33.34 O ATOM 1598 CB ASN A 110 -0.186 10.416 9.330 1.00 1.00 C ATOM 1599 CG ASN A 110 1.084 9.919 10.020 1.00 1.22 C ATOM 1600 OD1 ASN A 110 0.984 9.429 11.216 1.00 73.32 O flip ATOM 1601 ND2 ASN A 110 2.156 9.958 9.445 1.00 55.33 N flip ATOM 0 H ASN A 110 -2.118 9.169 10.731 1.00 33.23 H new ATOM 0 HA ASN A 110 -0.741 11.754 10.927 1.00 3.33 H new ATOM 0 HB2 ASN A 110 -0.644 9.580 8.801 1.00 1.00 H new ATOM 0 HB3 ASN A 110 0.093 11.155 8.579 1.00 1.00 H new ATOM 0 HD21 ASN A 110 2.216 10.347 8.504 1.00 55.33 H new ATOM 0 HD22 ASN A 110 2.994 9.602 9.904 1.00 55.33 H new ATOM 1607 N GLY A 111 -3.537 11.503 9.666 1.00 51.10 N ATOM 1608 CA GLY A 111 -4.590 12.167 8.919 1.00 71.54 C ATOM 1609 C GLY A 111 -4.644 11.689 7.480 1.00 24.15 C ATOM 1610 O GLY A 111 -4.826 12.479 6.552 1.00 21.21 O ATOM 0 H GLY A 111 -3.861 10.820 10.351 1.00 51.10 H new ATOM 0 HA2 GLY A 111 -5.550 11.982 9.400 1.00 71.54 H new ATOM 0 HA3 GLY A 111 -4.426 13.244 8.939 1.00 71.54 H new ATOM 1614 N VAL A 112 -4.453 10.406 7.300 1.00 63.12 N ATOM 1615 CA VAL A 112 -4.482 9.789 5.999 1.00 61.21 C ATOM 1616 C VAL A 112 -5.729 8.920 5.888 1.00 73.44 C ATOM 1617 O VAL A 112 -5.876 7.941 6.607 1.00 12.23 O ATOM 1618 CB VAL A 112 -3.185 8.948 5.729 1.00 74.32 C ATOM 1619 CG1 VAL A 112 -3.248 8.254 4.372 1.00 3.34 C ATOM 1620 CG2 VAL A 112 -1.966 9.855 5.782 1.00 41.13 C ATOM 0 H VAL A 112 -4.271 9.753 8.062 1.00 63.12 H new ATOM 0 HA VAL A 112 -4.515 10.570 5.240 1.00 61.21 H new ATOM 0 HB VAL A 112 -3.110 8.182 6.501 1.00 74.32 H new ATOM 0 HG11 VAL A 112 -2.335 7.680 4.214 1.00 3.34 H new ATOM 0 HG12 VAL A 112 -4.107 7.584 4.345 1.00 3.34 H new ATOM 0 HG13 VAL A 112 -3.346 9.002 3.585 1.00 3.34 H new ATOM 0 HG21 VAL A 112 -1.067 9.268 5.594 1.00 41.13 H new ATOM 0 HG22 VAL A 112 -2.057 10.632 5.023 1.00 41.13 H new ATOM 0 HG23 VAL A 112 -1.898 10.317 6.767 1.00 41.13 H new ATOM 1626 N THR A 113 -6.633 9.310 5.027 1.00 42.53 N ATOM 1627 CA THR A 113 -7.872 8.588 4.846 1.00 35.42 C ATOM 1628 C THR A 113 -8.093 8.116 3.415 1.00 14.23 C ATOM 1629 O THR A 113 -9.094 7.474 3.114 1.00 31.33 O ATOM 1630 CB THR A 113 -9.069 9.402 5.355 1.00 3.34 C ATOM 1631 OG1 THR A 113 -8.890 10.796 5.018 1.00 41.20 O ATOM 1632 CG2 THR A 113 -9.246 9.236 6.853 1.00 55.13 C ATOM 0 H THR A 113 -6.535 10.133 4.432 1.00 42.53 H new ATOM 0 HA THR A 113 -7.787 7.685 5.451 1.00 35.42 H new ATOM 0 HB THR A 113 -9.972 9.030 4.871 1.00 3.34 H new ATOM 0 HG1 THR A 113 -9.657 11.312 5.343 1.00 41.20 H new ATOM 0 HG21 THR A 113 -10.101 9.824 7.186 1.00 55.13 H new ATOM 0 HG22 THR A 113 -9.416 8.185 7.085 1.00 55.13 H new ATOM 0 HG23 THR A 113 -8.348 9.580 7.366 1.00 55.13 H new ATOM 1638 N ASP A 114 -7.167 8.420 2.546 1.00 31.22 N ATOM 1639 CA ASP A 114 -7.236 7.961 1.167 1.00 64.21 C ATOM 1640 C ASP A 114 -5.934 7.337 0.805 1.00 44.33 C ATOM 1641 O ASP A 114 -4.874 7.958 0.964 1.00 50.52 O ATOM 1642 CB ASP A 114 -7.569 9.087 0.183 1.00 24.14 C ATOM 1643 CG ASP A 114 -8.950 9.671 0.366 1.00 2.32 C ATOM 1644 OD1 ASP A 114 -9.931 9.089 -0.148 1.00 13.04 O ATOM 1645 OD2 ASP A 114 -9.077 10.738 0.998 1.00 13.23 O ATOM 0 H ASP A 114 -6.347 8.987 2.762 1.00 31.22 H new ATOM 0 HA ASP A 114 -8.046 7.235 1.095 1.00 64.21 H new ATOM 0 HB2 ASP A 114 -6.831 9.882 0.293 1.00 24.14 H new ATOM 0 HB3 ASP A 114 -7.478 8.706 -0.834 1.00 24.14 H new ATOM 1650 N LEU A 115 -5.977 6.122 0.340 1.00 43.22 N ATOM 1651 CA LEU A 115 -4.765 5.419 0.049 1.00 73.31 C ATOM 1652 C LEU A 115 -4.900 4.698 -1.297 1.00 1.34 C ATOM 1653 O LEU A 115 -5.874 3.968 -1.534 1.00 20.22 O ATOM 1654 CB LEU A 115 -4.476 4.435 1.225 1.00 53.31 C ATOM 1655 CG LEU A 115 -3.069 3.800 1.339 1.00 23.03 C ATOM 1656 CD1 LEU A 115 -2.964 3.006 2.631 1.00 71.01 C ATOM 1657 CD2 LEU A 115 -2.763 2.893 0.173 1.00 44.55 C ATOM 0 H LEU A 115 -6.834 5.601 0.155 1.00 43.22 H new ATOM 0 HA LEU A 115 -3.922 6.104 -0.040 1.00 73.31 H new ATOM 0 HB2 LEU A 115 -4.674 4.966 2.156 1.00 53.31 H new ATOM 0 HB3 LEU A 115 -5.200 3.623 1.161 1.00 53.31 H new ATOM 0 HG LEU A 115 -2.343 4.613 1.335 1.00 23.03 H new ATOM 0 HD11 LEU A 115 -1.971 2.562 2.705 1.00 71.01 H new ATOM 0 HD12 LEU A 115 -3.129 3.669 3.480 1.00 71.01 H new ATOM 0 HD13 LEU A 115 -3.716 2.217 2.635 1.00 71.01 H new ATOM 0 HD21 LEU A 115 -1.766 2.469 0.294 1.00 44.55 H new ATOM 0 HD22 LEU A 115 -3.497 2.088 0.135 1.00 44.55 H new ATOM 0 HD23 LEU A 115 -2.804 3.465 -0.754 1.00 44.55 H new ATOM 1665 N SER A 116 -3.941 4.921 -2.169 1.00 2.05 N ATOM 1666 CA SER A 116 -3.900 4.273 -3.450 1.00 12.12 C ATOM 1667 C SER A 116 -2.793 3.215 -3.463 1.00 53.41 C ATOM 1668 O SER A 116 -1.644 3.490 -3.110 1.00 74.45 O ATOM 1669 CB SER A 116 -3.683 5.306 -4.550 1.00 30.20 C ATOM 1670 OG SER A 116 -4.736 6.265 -4.548 1.00 54.53 O ATOM 0 H SER A 116 -3.165 5.562 -2.002 1.00 2.05 H new ATOM 0 HA SER A 116 -4.852 3.775 -3.634 1.00 12.12 H new ATOM 0 HB2 SER A 116 -2.726 5.807 -4.403 1.00 30.20 H new ATOM 0 HB3 SER A 116 -3.637 4.810 -5.519 1.00 30.20 H new ATOM 0 HG SER A 116 -4.581 6.922 -5.258 1.00 54.53 H new ATOM 1676 N MET A 117 -3.148 2.023 -3.847 1.00 70.24 N ATOM 1677 CA MET A 117 -2.214 0.912 -3.900 1.00 41.22 C ATOM 1678 C MET A 117 -2.528 0.101 -5.144 1.00 34.14 C ATOM 1679 O MET A 117 -3.562 0.314 -5.755 1.00 33.13 O ATOM 1680 CB MET A 117 -2.370 0.004 -2.644 1.00 11.25 C ATOM 1681 CG MET A 117 -3.742 -0.659 -2.522 1.00 70.10 C ATOM 1682 SD MET A 117 -3.903 -1.777 -1.100 1.00 61.30 S ATOM 1683 CE MET A 117 -3.693 -0.660 0.280 1.00 54.35 C ATOM 0 H MET A 117 -4.096 1.783 -4.136 1.00 70.24 H new ATOM 0 HA MET A 117 -1.192 1.291 -3.925 1.00 41.22 H new ATOM 0 HB2 MET A 117 -1.604 -0.771 -2.672 1.00 11.25 H new ATOM 0 HB3 MET A 117 -2.186 0.602 -1.751 1.00 11.25 H new ATOM 0 HG2 MET A 117 -4.503 0.118 -2.448 1.00 70.10 H new ATOM 0 HG3 MET A 117 -3.945 -1.219 -3.435 1.00 70.10 H new ATOM 0 HE1 MET A 117 -3.822 -1.207 1.214 1.00 54.35 H new ATOM 0 HE2 MET A 117 -2.693 -0.227 0.249 1.00 54.35 H new ATOM 0 HE3 MET A 117 -4.435 0.136 0.220 1.00 54.35 H new ATOM 1693 N PRO A 118 -1.654 -0.805 -5.569 1.00 15.45 N ATOM 1694 CA PRO A 118 -1.963 -1.709 -6.642 1.00 54.22 C ATOM 1695 C PRO A 118 -2.584 -2.962 -6.051 1.00 22.32 C ATOM 1696 O PRO A 118 -2.875 -3.007 -4.848 1.00 41.24 O ATOM 1697 CB PRO A 118 -0.590 -2.042 -7.244 1.00 52.05 C ATOM 1698 CG PRO A 118 0.431 -1.544 -6.261 1.00 33.11 C ATOM 1699 CD PRO A 118 -0.303 -1.027 -5.059 1.00 53.11 C ATOM 0 HA PRO A 118 -2.655 -1.301 -7.378 1.00 54.22 H new ATOM 0 HB2 PRO A 118 -0.485 -3.115 -7.404 1.00 52.05 H new ATOM 0 HB3 PRO A 118 -0.463 -1.561 -8.214 1.00 52.05 H new ATOM 0 HG2 PRO A 118 1.111 -2.347 -5.977 1.00 33.11 H new ATOM 0 HG3 PRO A 118 1.037 -0.755 -6.707 1.00 33.11 H new ATOM 0 HD2 PRO A 118 -0.294 -1.747 -4.240 1.00 53.11 H new ATOM 0 HD3 PRO A 118 0.141 -0.107 -4.680 1.00 53.11 H new ATOM 1707 N ARG A 119 -2.796 -3.968 -6.847 1.00 3.21 N ATOM 1708 CA ARG A 119 -3.269 -5.209 -6.291 1.00 34.12 C ATOM 1709 C ARG A 119 -2.099 -5.952 -5.692 1.00 3.53 C ATOM 1710 O ARG A 119 -1.378 -6.657 -6.391 1.00 3.12 O ATOM 1711 CB ARG A 119 -3.997 -6.083 -7.313 1.00 63.44 C ATOM 1712 CG ARG A 119 -5.251 -5.459 -7.896 1.00 72.54 C ATOM 1713 CD ARG A 119 -5.990 -6.450 -8.777 1.00 5.21 C ATOM 1714 NE ARG A 119 -7.165 -5.847 -9.421 1.00 12.33 N ATOM 1715 CZ ARG A 119 -8.215 -6.533 -9.907 1.00 41.41 C ATOM 1716 NH1 ARG A 119 -8.288 -7.848 -9.749 1.00 75.25 N ATOM 1717 NH2 ARG A 119 -9.186 -5.892 -10.557 1.00 63.01 N ATOM 0 H ARG A 119 -2.655 -3.961 -7.857 1.00 3.21 H new ATOM 0 HA ARG A 119 -4.003 -4.973 -5.521 1.00 34.12 H new ATOM 0 HB2 ARG A 119 -3.311 -6.316 -8.127 1.00 63.44 H new ATOM 0 HB3 ARG A 119 -4.263 -7.028 -6.840 1.00 63.44 H new ATOM 0 HG2 ARG A 119 -5.904 -5.125 -7.090 1.00 72.54 H new ATOM 0 HG3 ARG A 119 -4.986 -4.576 -8.478 1.00 72.54 H new ATOM 0 HD2 ARG A 119 -5.313 -6.830 -9.542 1.00 5.21 H new ATOM 0 HD3 ARG A 119 -6.304 -7.304 -8.177 1.00 5.21 H new ATOM 0 HE ARG A 119 -7.186 -4.831 -9.506 1.00 12.33 H new ATOM 0 HH11 ARG A 119 -7.545 -8.345 -9.257 1.00 75.25 H new ATOM 0 HH12 ARG A 119 -9.087 -8.363 -10.120 1.00 75.25 H new ATOM 0 HH21 ARG A 119 -9.133 -4.882 -10.686 1.00 63.01 H new ATOM 0 HH22 ARG A 119 -9.982 -6.412 -10.926 1.00 63.01 H new ATOM 1729 N ILE A 120 -1.862 -5.727 -4.433 1.00 1.35 N ATOM 1730 CA ILE A 120 -0.772 -6.364 -3.752 1.00 32.43 C ATOM 1731 C ILE A 120 -1.178 -7.711 -3.208 1.00 12.34 C ATOM 1732 O ILE A 120 -2.324 -7.916 -2.844 1.00 2.31 O ATOM 1733 CB ILE A 120 -0.098 -5.437 -2.672 1.00 22.22 C ATOM 1734 CG1 ILE A 120 -1.092 -4.837 -1.635 1.00 3.41 C ATOM 1735 CG2 ILE A 120 0.674 -4.324 -3.348 1.00 64.43 C ATOM 1736 CD1 ILE A 120 -1.663 -5.812 -0.631 1.00 64.15 C ATOM 0 H ILE A 120 -2.416 -5.099 -3.851 1.00 1.35 H new ATOM 0 HA ILE A 120 0.007 -6.545 -4.493 1.00 32.43 H new ATOM 0 HB ILE A 120 0.576 -6.081 -2.107 1.00 22.22 H new ATOM 0 HG12 ILE A 120 -0.584 -4.041 -1.091 1.00 3.41 H new ATOM 0 HG13 ILE A 120 -1.918 -4.376 -2.176 1.00 3.41 H new ATOM 0 HG21 ILE A 120 1.136 -3.690 -2.591 1.00 64.43 H new ATOM 0 HG22 ILE A 120 1.449 -4.753 -3.984 1.00 64.43 H new ATOM 0 HG23 ILE A 120 -0.006 -3.727 -3.956 1.00 64.43 H new ATOM 0 HD11 ILE A 120 -2.342 -5.287 0.041 1.00 64.15 H new ATOM 0 HD12 ILE A 120 -2.208 -6.597 -1.155 1.00 64.15 H new ATOM 0 HD13 ILE A 120 -0.852 -6.256 -0.054 1.00 64.15 H new ATOM 1743 N GLY A 121 -0.257 -8.626 -3.194 1.00 14.10 N ATOM 1744 CA GLY A 121 -0.570 -9.937 -2.726 1.00 4.21 C ATOM 1745 C GLY A 121 -1.184 -10.771 -3.820 1.00 44.04 C ATOM 1746 O GLY A 121 -2.203 -11.421 -3.612 1.00 4.51 O ATOM 0 H GLY A 121 0.707 -8.490 -3.498 1.00 14.10 H new ATOM 0 HA2 GLY A 121 0.335 -10.421 -2.360 1.00 4.21 H new ATOM 0 HA3 GLY A 121 -1.259 -9.871 -1.884 1.00 4.21 H new ATOM 1750 N CYS A 122 -0.568 -10.758 -4.997 1.00 0.24 N ATOM 1751 CA CYS A 122 -1.113 -11.512 -6.104 1.00 43.24 C ATOM 1752 C CYS A 122 -0.028 -12.129 -6.987 1.00 70.34 C ATOM 1753 O CYS A 122 -0.148 -13.285 -7.416 1.00 33.53 O ATOM 1754 CB CYS A 122 -2.054 -10.640 -6.955 1.00 74.41 C ATOM 1755 SG CYS A 122 -1.261 -9.225 -7.764 1.00 74.13 S ATOM 0 H CYS A 122 0.289 -10.244 -5.201 1.00 0.24 H new ATOM 0 HA CYS A 122 -1.683 -12.332 -5.667 1.00 43.24 H new ATOM 0 HB2 CYS A 122 -2.513 -11.266 -7.720 1.00 74.41 H new ATOM 0 HB3 CYS A 122 -2.859 -10.272 -6.319 1.00 74.41 H new ATOM 0 HG CYS A 122 -1.142 -8.249 -6.913 1.00 74.13 H new ATOM 1761 N GLY A 123 1.032 -11.386 -7.244 1.00 22.31 N ATOM 1762 CA GLY A 123 2.027 -11.850 -8.181 1.00 21.03 C ATOM 1763 C GLY A 123 3.224 -12.441 -7.514 1.00 3.43 C ATOM 1764 O GLY A 123 3.207 -13.602 -7.087 1.00 31.50 O ATOM 0 H GLY A 123 1.221 -10.476 -6.824 1.00 22.31 H new ATOM 0 HA2 GLY A 123 1.579 -12.595 -8.839 1.00 21.03 H new ATOM 0 HA3 GLY A 123 2.342 -11.018 -8.810 1.00 21.03 H new ATOM 1768 N LEU A 124 4.252 -11.637 -7.380 1.00 11.42 N ATOM 1769 CA LEU A 124 5.520 -12.054 -6.764 1.00 1.53 C ATOM 1770 C LEU A 124 5.313 -12.317 -5.284 1.00 34.21 C ATOM 1771 O LEU A 124 6.128 -12.953 -4.623 1.00 63.31 O ATOM 1772 CB LEU A 124 6.572 -10.957 -6.940 1.00 52.21 C ATOM 1773 CG LEU A 124 6.882 -10.529 -8.372 1.00 23.22 C ATOM 1774 CD1 LEU A 124 7.924 -9.433 -8.371 1.00 51.43 C ATOM 1775 CD2 LEU A 124 7.356 -11.710 -9.201 1.00 13.25 C ATOM 0 H LEU A 124 4.247 -10.666 -7.693 1.00 11.42 H new ATOM 0 HA LEU A 124 5.864 -12.967 -7.251 1.00 1.53 H new ATOM 0 HB2 LEU A 124 6.243 -10.078 -6.386 1.00 52.21 H new ATOM 0 HB3 LEU A 124 7.499 -11.297 -6.478 1.00 52.21 H new ATOM 0 HG LEU A 124 5.966 -10.147 -8.823 1.00 23.22 H new ATOM 0 HD11 LEU A 124 8.139 -9.134 -9.397 1.00 51.43 H new ATOM 0 HD12 LEU A 124 7.549 -8.575 -7.814 1.00 51.43 H new ATOM 0 HD13 LEU A 124 8.837 -9.799 -7.901 1.00 51.43 H new ATOM 0 HD21 LEU A 124 7.570 -11.379 -10.217 1.00 13.25 H new ATOM 0 HD22 LEU A 124 8.260 -12.127 -8.757 1.00 13.25 H new ATOM 0 HD23 LEU A 124 6.578 -12.473 -9.225 1.00 13.25 H new ATOM 1783 N ASP A 125 4.205 -11.801 -4.796 1.00 13.42 N ATOM 1784 CA ASP A 125 3.800 -11.865 -3.403 1.00 24.51 C ATOM 1785 C ASP A 125 3.470 -13.296 -3.011 1.00 14.22 C ATOM 1786 O ASP A 125 3.460 -13.631 -1.839 1.00 43.44 O ATOM 1787 CB ASP A 125 2.539 -11.049 -3.229 1.00 73.15 C ATOM 1788 CG ASP A 125 2.569 -9.727 -3.959 1.00 13.11 C ATOM 1789 OD1 ASP A 125 3.084 -8.748 -3.424 1.00 52.12 O ATOM 1790 OD2 ASP A 125 2.031 -9.671 -5.100 1.00 64.21 O ATOM 0 H ASP A 125 3.533 -11.305 -5.381 1.00 13.42 H new ATOM 0 HA ASP A 125 4.614 -11.488 -2.785 1.00 24.51 H new ATOM 0 HB2 ASP A 125 1.688 -11.631 -3.583 1.00 73.15 H new ATOM 0 HB3 ASP A 125 2.379 -10.864 -2.167 1.00 73.15 H new ATOM 1795 N ARG A 126 3.159 -14.125 -4.029 1.00 34.12 N ATOM 1796 CA ARG A 126 2.819 -15.544 -3.854 1.00 30.10 C ATOM 1797 C ARG A 126 1.496 -15.740 -3.105 1.00 61.52 C ATOM 1798 O ARG A 126 1.223 -16.825 -2.580 1.00 54.21 O ATOM 1799 CB ARG A 126 3.944 -16.291 -3.154 1.00 22.11 C ATOM 1800 CG ARG A 126 5.256 -16.216 -3.897 1.00 72.12 C ATOM 1801 CD ARG A 126 6.269 -17.083 -3.241 1.00 75.12 C ATOM 1802 NE ARG A 126 7.606 -16.935 -3.842 1.00 14.23 N ATOM 1803 CZ ARG A 126 8.285 -17.910 -4.468 1.00 24.23 C ATOM 1804 NH1 ARG A 126 7.738 -19.112 -4.644 1.00 45.00 N ATOM 1805 NH2 ARG A 126 9.502 -17.674 -4.926 1.00 11.40 N ATOM 0 H ARG A 126 3.138 -13.821 -5.002 1.00 34.12 H new ATOM 0 HA ARG A 126 2.689 -15.961 -4.853 1.00 30.10 H new ATOM 0 HB2 ARG A 126 4.076 -15.881 -2.153 1.00 22.11 H new ATOM 0 HB3 ARG A 126 3.659 -17.337 -3.036 1.00 22.11 H new ATOM 0 HG2 ARG A 126 5.115 -16.529 -4.932 1.00 72.12 H new ATOM 0 HG3 ARG A 126 5.610 -15.185 -3.921 1.00 72.12 H new ATOM 0 HD2 ARG A 126 6.321 -16.838 -2.180 1.00 75.12 H new ATOM 0 HD3 ARG A 126 5.954 -18.124 -3.313 1.00 75.12 H new ATOM 0 HE ARG A 126 8.051 -16.020 -3.778 1.00 14.23 H new ATOM 0 HH11 ARG A 126 6.795 -19.298 -4.302 1.00 45.00 H new ATOM 0 HH12 ARG A 126 8.262 -19.846 -5.121 1.00 45.00 H new ATOM 0 HH21 ARG A 126 9.923 -16.753 -4.804 1.00 11.40 H new ATOM 0 HH22 ARG A 126 10.020 -18.413 -5.402 1.00 11.40 H new ATOM 1817 N LEU A 127 0.661 -14.710 -3.101 1.00 44.51 N ATOM 1818 CA LEU A 127 -0.617 -14.752 -2.399 1.00 64.53 C ATOM 1819 C LEU A 127 -1.783 -14.641 -3.373 1.00 61.03 C ATOM 1820 O LEU A 127 -1.592 -14.326 -4.561 1.00 31.32 O ATOM 1821 CB LEU A 127 -0.700 -13.626 -1.363 1.00 34.15 C ATOM 1822 CG LEU A 127 0.366 -13.629 -0.265 1.00 64.12 C ATOM 1823 CD1 LEU A 127 0.172 -12.440 0.658 1.00 10.22 C ATOM 1824 CD2 LEU A 127 0.319 -14.927 0.528 1.00 33.31 C ATOM 0 H LEU A 127 0.847 -13.828 -3.579 1.00 44.51 H new ATOM 0 HA LEU A 127 -0.682 -15.713 -1.888 1.00 64.53 H new ATOM 0 HB2 LEU A 127 -0.645 -12.673 -1.889 1.00 34.15 H new ATOM 0 HB3 LEU A 127 -1.680 -13.671 -0.888 1.00 34.15 H new ATOM 0 HG LEU A 127 1.346 -13.552 -0.737 1.00 64.12 H new ATOM 0 HD11 LEU A 127 0.937 -12.454 1.435 1.00 10.22 H new ATOM 0 HD12 LEU A 127 0.254 -11.517 0.084 1.00 10.22 H new ATOM 0 HD13 LEU A 127 -0.814 -12.494 1.119 1.00 10.22 H new ATOM 0 HD21 LEU A 127 1.085 -14.908 1.303 1.00 33.31 H new ATOM 0 HD22 LEU A 127 -0.662 -15.036 0.990 1.00 33.31 H new ATOM 0 HD23 LEU A 127 0.500 -15.769 -0.141 1.00 33.31 H new ATOM 1832 N GLN A 128 -2.976 -14.925 -2.882 1.00 51.34 N ATOM 1833 CA GLN A 128 -4.183 -14.816 -3.677 1.00 33.23 C ATOM 1834 C GLN A 128 -4.893 -13.498 -3.376 1.00 71.43 C ATOM 1835 O GLN A 128 -5.264 -13.245 -2.222 1.00 72.52 O ATOM 1836 CB GLN A 128 -5.162 -15.989 -3.428 1.00 40.22 C ATOM 1837 CG GLN A 128 -4.697 -17.390 -3.853 1.00 23.02 C ATOM 1838 CD GLN A 128 -3.522 -17.950 -3.059 1.00 54.55 C ATOM 1839 OE1 GLN A 128 -2.358 -17.757 -3.415 1.00 71.50 O ATOM 1840 NE2 GLN A 128 -3.817 -18.655 -1.995 1.00 54.52 N ATOM 0 H GLN A 128 -3.134 -15.237 -1.924 1.00 51.34 H new ATOM 0 HA GLN A 128 -3.878 -14.851 -4.723 1.00 33.23 H new ATOM 0 HB2 GLN A 128 -5.392 -16.017 -2.363 1.00 40.22 H new ATOM 0 HB3 GLN A 128 -6.093 -15.769 -3.950 1.00 40.22 H new ATOM 0 HG2 GLN A 128 -5.538 -18.078 -3.762 1.00 23.02 H new ATOM 0 HG3 GLN A 128 -4.422 -17.360 -4.907 1.00 23.02 H new ATOM 0 HE21 GLN A 128 -4.792 -18.794 -1.730 1.00 54.52 H new ATOM 0 HE22 GLN A 128 -3.072 -19.064 -1.432 1.00 54.52 H new ATOM 1848 N TRP A 129 -5.120 -12.682 -4.402 1.00 62.02 N ATOM 1849 CA TRP A 129 -5.783 -11.369 -4.227 1.00 71.22 C ATOM 1850 C TRP A 129 -7.173 -11.487 -3.683 1.00 72.52 C ATOM 1851 O TRP A 129 -7.608 -10.623 -2.932 1.00 1.01 O ATOM 1852 CB TRP A 129 -5.717 -10.477 -5.493 1.00 20.31 C ATOM 1853 CG TRP A 129 -6.543 -9.210 -5.402 1.00 42.23 C ATOM 1854 CD1 TRP A 129 -7.750 -8.976 -5.999 1.00 53.25 C ATOM 1855 CD2 TRP A 129 -6.240 -8.024 -4.650 1.00 11.23 C ATOM 1856 NE1 TRP A 129 -8.212 -7.729 -5.666 1.00 44.25 N ATOM 1857 CE2 TRP A 129 -7.305 -7.120 -4.840 1.00 53.43 C ATOM 1858 CE3 TRP A 129 -5.178 -7.640 -3.836 1.00 41.24 C ATOM 1859 CZ2 TRP A 129 -7.331 -5.855 -4.239 1.00 53.44 C ATOM 1860 CZ3 TRP A 129 -5.204 -6.393 -3.245 1.00 3.41 C ATOM 1861 CH2 TRP A 129 -6.272 -5.518 -3.448 1.00 52.04 C ATOM 0 H TRP A 129 -4.860 -12.895 -5.365 1.00 62.02 H new ATOM 0 HA TRP A 129 -5.200 -10.850 -3.466 1.00 71.22 H new ATOM 0 HB2 TRP A 129 -4.678 -10.207 -5.680 1.00 20.31 H new ATOM 0 HB3 TRP A 129 -6.055 -11.058 -6.351 1.00 20.31 H new ATOM 0 HD1 TRP A 129 -8.266 -9.674 -6.641 1.00 53.25 H new ATOM 0 HE1 TRP A 129 -9.091 -7.320 -5.983 1.00 44.25 H new ATOM 0 HE3 TRP A 129 -4.346 -8.308 -3.669 1.00 41.24 H new ATOM 0 HZ2 TRP A 129 -8.155 -5.175 -4.395 1.00 53.44 H new ATOM 0 HZ3 TRP A 129 -4.382 -6.089 -2.614 1.00 3.41 H new ATOM 0 HH2 TRP A 129 -6.260 -4.551 -2.967 1.00 52.04 H new ATOM 1872 N GLU A 130 -7.855 -12.554 -4.021 1.00 11.54 N ATOM 1873 CA GLU A 130 -9.190 -12.792 -3.503 1.00 44.10 C ATOM 1874 C GLU A 130 -9.152 -12.749 -1.972 1.00 63.00 C ATOM 1875 O GLU A 130 -10.026 -12.176 -1.321 1.00 5.14 O ATOM 1876 CB GLU A 130 -9.664 -14.162 -3.944 1.00 1.12 C ATOM 1877 CG GLU A 130 -9.593 -14.389 -5.426 1.00 62.32 C ATOM 1878 CD GLU A 130 -10.062 -15.747 -5.804 1.00 33.23 C ATOM 1879 OE1 GLU A 130 -9.303 -16.724 -5.597 1.00 2.12 O ATOM 1880 OE2 GLU A 130 -11.189 -15.872 -6.323 1.00 12.11 O ATOM 0 H GLU A 130 -7.511 -13.276 -4.654 1.00 11.54 H new ATOM 0 HA GLU A 130 -9.869 -12.027 -3.881 1.00 44.10 H new ATOM 0 HB2 GLU A 130 -9.064 -14.921 -3.442 1.00 1.12 H new ATOM 0 HB3 GLU A 130 -10.694 -14.301 -3.615 1.00 1.12 H new ATOM 0 HG2 GLU A 130 -10.199 -13.641 -5.937 1.00 62.32 H new ATOM 0 HG3 GLU A 130 -8.566 -14.253 -5.765 1.00 62.32 H new ATOM 1887 N ASN A 131 -8.083 -13.314 -1.429 1.00 41.03 N ATOM 1888 CA ASN A 131 -7.903 -13.434 0.013 1.00 55.10 C ATOM 1889 C ASN A 131 -7.490 -12.103 0.584 1.00 70.25 C ATOM 1890 O ASN A 131 -8.048 -11.631 1.577 1.00 74.21 O ATOM 1891 CB ASN A 131 -6.807 -14.468 0.364 1.00 21.42 C ATOM 1892 CG ASN A 131 -7.034 -15.880 -0.168 1.00 62.10 C ATOM 1893 OD1 ASN A 131 -7.607 -15.995 -1.338 1.00 22.23 O flip ATOM 1894 ND2 ASN A 131 -6.642 -16.856 0.459 1.00 33.33 N flip ATOM 0 H ASN A 131 -7.315 -13.703 -1.975 1.00 41.03 H new ATOM 0 HA ASN A 131 -8.852 -13.763 0.436 1.00 55.10 H new ATOM 0 HB2 ASN A 131 -5.854 -14.104 -0.020 1.00 21.42 H new ATOM 0 HB3 ASN A 131 -6.715 -14.519 1.449 1.00 21.42 H new ATOM 0 HD21 ASN A 131 -6.199 -16.733 1.369 1.00 33.33 H new ATOM 0 HD22 ASN A 131 -6.759 -17.792 0.071 1.00 33.33 H new ATOM 1900 N VAL A 132 -6.513 -11.497 -0.072 1.00 73.24 N ATOM 1901 CA VAL A 132 -5.932 -10.230 0.343 1.00 54.33 C ATOM 1902 C VAL A 132 -6.971 -9.119 0.336 1.00 64.04 C ATOM 1903 O VAL A 132 -7.128 -8.416 1.320 1.00 73.21 O ATOM 1904 CB VAL A 132 -4.737 -9.848 -0.563 1.00 50.33 C ATOM 1905 CG1 VAL A 132 -4.134 -8.520 -0.140 1.00 32.25 C ATOM 1906 CG2 VAL A 132 -3.684 -10.941 -0.537 1.00 41.22 C ATOM 0 H VAL A 132 -6.095 -11.878 -0.921 1.00 73.24 H new ATOM 0 HA VAL A 132 -5.570 -10.354 1.364 1.00 54.33 H new ATOM 0 HB VAL A 132 -5.106 -9.741 -1.583 1.00 50.33 H new ATOM 0 HG11 VAL A 132 -3.296 -8.276 -0.793 1.00 32.25 H new ATOM 0 HG12 VAL A 132 -4.890 -7.738 -0.212 1.00 32.25 H new ATOM 0 HG13 VAL A 132 -3.782 -8.591 0.889 1.00 32.25 H new ATOM 0 HG21 VAL A 132 -2.850 -10.658 -1.179 1.00 41.22 H new ATOM 0 HG22 VAL A 132 -3.326 -11.078 0.484 1.00 41.22 H new ATOM 0 HG23 VAL A 132 -4.119 -11.874 -0.897 1.00 41.22 H new ATOM 1912 N SER A 133 -7.684 -8.995 -0.760 1.00 31.43 N ATOM 1913 CA SER A 133 -8.726 -8.004 -0.914 1.00 24.15 C ATOM 1914 C SER A 133 -9.762 -8.118 0.207 1.00 74.20 C ATOM 1915 O SER A 133 -10.099 -7.123 0.851 1.00 43.04 O ATOM 1916 CB SER A 133 -9.380 -8.163 -2.294 1.00 22.22 C ATOM 1917 OG SER A 133 -10.490 -7.301 -2.463 1.00 51.01 O ATOM 0 H SER A 133 -7.555 -9.587 -1.581 1.00 31.43 H new ATOM 0 HA SER A 133 -8.286 -7.009 -0.845 1.00 24.15 H new ATOM 0 HB2 SER A 133 -8.642 -7.958 -3.070 1.00 22.22 H new ATOM 0 HB3 SER A 133 -9.702 -9.196 -2.425 1.00 22.22 H new ATOM 0 HG SER A 133 -10.591 -7.080 -3.412 1.00 51.01 H new ATOM 1923 N ALA A 134 -10.217 -9.340 0.471 1.00 21.12 N ATOM 1924 CA ALA A 134 -11.201 -9.587 1.517 1.00 23.10 C ATOM 1925 C ALA A 134 -10.629 -9.248 2.898 1.00 43.13 C ATOM 1926 O ALA A 134 -11.349 -8.864 3.800 1.00 64.21 O ATOM 1927 CB ALA A 134 -11.675 -11.032 1.467 1.00 64.11 C ATOM 0 H ALA A 134 -9.917 -10.177 -0.029 1.00 21.12 H new ATOM 0 HA ALA A 134 -12.058 -8.937 1.342 1.00 23.10 H new ATOM 0 HB1 ALA A 134 -12.410 -11.201 2.254 1.00 64.11 H new ATOM 0 HB2 ALA A 134 -12.130 -11.232 0.497 1.00 64.11 H new ATOM 0 HB3 ALA A 134 -10.825 -11.699 1.614 1.00 64.11 H new ATOM 1933 N MET A 135 -9.335 -9.395 3.041 1.00 32.45 N ATOM 1934 CA MET A 135 -8.666 -9.060 4.279 1.00 42.24 C ATOM 1935 C MET A 135 -8.632 -7.548 4.449 1.00 4.23 C ATOM 1936 O MET A 135 -9.023 -7.024 5.480 1.00 3.32 O ATOM 1937 CB MET A 135 -7.244 -9.592 4.264 1.00 2.54 C ATOM 1938 CG MET A 135 -6.455 -9.292 5.525 1.00 63.12 C ATOM 1939 SD MET A 135 -4.732 -9.769 5.378 1.00 24.41 S ATOM 1940 CE MET A 135 -4.895 -11.503 5.050 1.00 2.05 C ATOM 0 H MET A 135 -8.717 -9.747 2.310 1.00 32.45 H new ATOM 0 HA MET A 135 -9.211 -9.512 5.107 1.00 42.24 H new ATOM 0 HB2 MET A 135 -7.273 -10.671 4.115 1.00 2.54 H new ATOM 0 HB3 MET A 135 -6.718 -9.167 3.410 1.00 2.54 H new ATOM 0 HG2 MET A 135 -6.517 -8.226 5.745 1.00 63.12 H new ATOM 0 HG3 MET A 135 -6.905 -9.818 6.367 1.00 63.12 H new ATOM 0 HE1 MET A 135 -3.910 -11.969 5.057 1.00 2.05 H new ATOM 0 HE2 MET A 135 -5.518 -11.962 5.818 1.00 2.05 H new ATOM 0 HE3 MET A 135 -5.358 -11.647 4.074 1.00 2.05 H new ATOM 1950 N ILE A 136 -8.176 -6.863 3.411 1.00 14.14 N ATOM 1951 CA ILE A 136 -8.048 -5.416 3.400 1.00 5.40 C ATOM 1952 C ILE A 136 -9.395 -4.740 3.687 1.00 74.01 C ATOM 1953 O ILE A 136 -9.488 -3.857 4.547 1.00 2.42 O ATOM 1954 CB ILE A 136 -7.499 -4.928 2.027 1.00 72.51 C ATOM 1955 CG1 ILE A 136 -6.110 -5.512 1.749 1.00 75.01 C ATOM 1956 CG2 ILE A 136 -7.449 -3.413 1.967 1.00 53.25 C ATOM 1957 CD1 ILE A 136 -5.549 -5.150 0.387 1.00 34.23 C ATOM 0 H ILE A 136 -7.880 -7.305 2.540 1.00 14.14 H new ATOM 0 HA ILE A 136 -7.346 -5.139 4.186 1.00 5.40 H new ATOM 0 HB ILE A 136 -8.183 -5.283 1.256 1.00 72.51 H new ATOM 0 HG12 ILE A 136 -5.421 -5.164 2.518 1.00 75.01 H new ATOM 0 HG13 ILE A 136 -6.160 -6.598 1.833 1.00 75.01 H new ATOM 0 HG21 ILE A 136 -7.062 -3.100 0.997 1.00 53.25 H new ATOM 0 HG22 ILE A 136 -8.452 -3.010 2.104 1.00 53.25 H new ATOM 0 HG23 ILE A 136 -6.797 -3.039 2.756 1.00 53.25 H new ATOM 0 HD11 ILE A 136 -4.564 -5.601 0.268 1.00 34.23 H new ATOM 0 HD12 ILE A 136 -6.215 -5.522 -0.391 1.00 34.23 H new ATOM 0 HD13 ILE A 136 -5.464 -4.066 0.305 1.00 34.23 H new ATOM 1964 N GLU A 137 -10.434 -5.184 2.997 1.00 15.23 N ATOM 1965 CA GLU A 137 -11.745 -4.579 3.133 1.00 34.10 C ATOM 1966 C GLU A 137 -12.343 -4.793 4.538 1.00 44.24 C ATOM 1967 O GLU A 137 -13.097 -3.962 5.033 1.00 13.11 O ATOM 1968 CB GLU A 137 -12.672 -4.987 1.948 1.00 64.15 C ATOM 1969 CG GLU A 137 -13.054 -6.460 1.826 1.00 21.41 C ATOM 1970 CD GLU A 137 -14.257 -6.829 2.641 1.00 11.25 C ATOM 1971 OE1 GLU A 137 -15.369 -6.450 2.239 1.00 42.21 O ATOM 1972 OE2 GLU A 137 -14.141 -7.501 3.659 1.00 20.24 O ATOM 0 H GLU A 137 -10.392 -5.961 2.338 1.00 15.23 H new ATOM 0 HA GLU A 137 -11.641 -3.497 3.057 1.00 34.10 H new ATOM 0 HB2 GLU A 137 -13.591 -4.407 2.025 1.00 64.15 H new ATOM 0 HB3 GLU A 137 -12.183 -4.688 1.021 1.00 64.15 H new ATOM 0 HG2 GLU A 137 -13.248 -6.693 0.779 1.00 21.41 H new ATOM 0 HG3 GLU A 137 -12.210 -7.074 2.138 1.00 21.41 H new ATOM 1979 N GLU A 138 -11.966 -5.892 5.170 1.00 1.12 N ATOM 1980 CA GLU A 138 -12.366 -6.211 6.516 1.00 31.10 C ATOM 1981 C GLU A 138 -11.598 -5.306 7.516 1.00 70.33 C ATOM 1982 O GLU A 138 -12.190 -4.669 8.400 1.00 44.30 O ATOM 1983 CB GLU A 138 -11.987 -7.667 6.756 1.00 44.12 C ATOM 1984 CG GLU A 138 -12.341 -8.214 8.102 1.00 24.42 C ATOM 1985 CD GLU A 138 -13.826 -8.371 8.311 1.00 34.25 C ATOM 1986 OE1 GLU A 138 -14.507 -7.387 8.671 1.00 52.23 O ATOM 1987 OE2 GLU A 138 -14.337 -9.497 8.125 1.00 34.34 O ATOM 0 H GLU A 138 -11.362 -6.596 4.747 1.00 1.12 H new ATOM 0 HA GLU A 138 -13.435 -6.053 6.655 1.00 31.10 H new ATOM 0 HB2 GLU A 138 -12.472 -8.280 5.996 1.00 44.12 H new ATOM 0 HB3 GLU A 138 -10.912 -7.772 6.612 1.00 44.12 H new ATOM 0 HG2 GLU A 138 -11.859 -9.183 8.231 1.00 24.42 H new ATOM 0 HG3 GLU A 138 -11.941 -7.554 8.871 1.00 24.42 H new ATOM 1994 N VAL A 139 -10.278 -5.250 7.342 1.00 64.14 N ATOM 1995 CA VAL A 139 -9.367 -4.492 8.213 1.00 25.12 C ATOM 1996 C VAL A 139 -9.728 -3.001 8.312 1.00 44.45 C ATOM 1997 O VAL A 139 -9.650 -2.404 9.392 1.00 45.14 O ATOM 1998 CB VAL A 139 -7.869 -4.666 7.761 1.00 30.23 C ATOM 1999 CG1 VAL A 139 -6.938 -3.712 8.497 1.00 33.21 C ATOM 2000 CG2 VAL A 139 -7.410 -6.097 8.004 1.00 51.32 C ATOM 0 H VAL A 139 -9.800 -5.735 6.583 1.00 64.14 H new ATOM 0 HA VAL A 139 -9.486 -4.913 9.211 1.00 25.12 H new ATOM 0 HB VAL A 139 -7.825 -4.434 6.697 1.00 30.23 H new ATOM 0 HG11 VAL A 139 -5.915 -3.866 8.155 1.00 33.21 H new ATOM 0 HG12 VAL A 139 -7.237 -2.684 8.295 1.00 33.21 H new ATOM 0 HG13 VAL A 139 -6.995 -3.903 9.569 1.00 33.21 H new ATOM 0 HG21 VAL A 139 -6.373 -6.205 7.687 1.00 51.32 H new ATOM 0 HG22 VAL A 139 -7.492 -6.330 9.066 1.00 51.32 H new ATOM 0 HG23 VAL A 139 -8.037 -6.782 7.433 1.00 51.32 H new ATOM 2006 N PHE A 140 -10.133 -2.416 7.215 1.00 55.55 N ATOM 2007 CA PHE A 140 -10.421 -0.984 7.175 1.00 73.41 C ATOM 2008 C PHE A 140 -11.910 -0.649 7.360 1.00 25.11 C ATOM 2009 O PHE A 140 -12.318 0.511 7.181 1.00 20.40 O ATOM 2010 CB PHE A 140 -9.863 -0.360 5.893 1.00 1.43 C ATOM 2011 CG PHE A 140 -8.355 -0.381 5.831 1.00 63.54 C ATOM 2012 CD1 PHE A 140 -7.671 -1.491 5.361 1.00 32.21 C ATOM 2013 CD2 PHE A 140 -7.625 0.710 6.254 1.00 63.31 C ATOM 2014 CE1 PHE A 140 -6.293 -1.509 5.315 1.00 74.24 C ATOM 2015 CE2 PHE A 140 -6.248 0.701 6.211 1.00 30.13 C ATOM 2016 CZ PHE A 140 -5.582 -0.409 5.741 1.00 35.33 C ATOM 0 H PHE A 140 -10.275 -2.901 6.329 1.00 55.55 H new ATOM 0 HA PHE A 140 -9.914 -0.543 8.033 1.00 73.41 H new ATOM 0 HB2 PHE A 140 -10.263 -0.895 5.032 1.00 1.43 H new ATOM 0 HB3 PHE A 140 -10.209 0.671 5.817 1.00 1.43 H new ATOM 0 HD1 PHE A 140 -8.226 -2.355 5.026 1.00 32.21 H new ATOM 0 HD2 PHE A 140 -8.140 1.584 6.624 1.00 63.31 H new ATOM 0 HE1 PHE A 140 -5.774 -2.381 4.947 1.00 74.24 H new ATOM 0 HE2 PHE A 140 -5.691 1.564 6.546 1.00 30.13 H new ATOM 0 HZ PHE A 140 -4.503 -0.417 5.706 1.00 35.33 H new ATOM 2026 N GLU A 141 -12.708 -1.635 7.745 1.00 34.32 N ATOM 2027 CA GLU A 141 -14.159 -1.441 7.922 1.00 33.14 C ATOM 2028 C GLU A 141 -14.501 -0.357 8.955 1.00 73.11 C ATOM 2029 O GLU A 141 -15.383 0.468 8.730 1.00 21.01 O ATOM 2030 CB GLU A 141 -14.854 -2.756 8.281 1.00 32.22 C ATOM 2031 CG GLU A 141 -16.338 -2.610 8.583 1.00 14.35 C ATOM 2032 CD GLU A 141 -16.999 -3.918 8.909 1.00 1.13 C ATOM 2033 OE1 GLU A 141 -16.903 -4.369 10.067 1.00 13.12 O ATOM 2034 OE2 GLU A 141 -17.640 -4.511 8.013 1.00 42.11 O ATOM 0 H GLU A 141 -12.385 -2.582 7.943 1.00 34.32 H new ATOM 0 HA GLU A 141 -14.534 -1.092 6.960 1.00 33.14 H new ATOM 0 HB2 GLU A 141 -14.729 -3.458 7.456 1.00 32.22 H new ATOM 0 HB3 GLU A 141 -14.358 -3.192 9.149 1.00 32.22 H new ATOM 0 HG2 GLU A 141 -16.468 -1.924 9.421 1.00 14.35 H new ATOM 0 HG3 GLU A 141 -16.836 -2.161 7.724 1.00 14.35 H new ATOM 2041 N ALA A 142 -13.782 -0.330 10.025 1.00 75.20 N ATOM 2042 CA ALA A 142 -14.071 0.601 11.121 1.00 34.21 C ATOM 2043 C ALA A 142 -13.395 1.958 10.929 1.00 24.34 C ATOM 2044 O ALA A 142 -13.280 2.739 11.870 1.00 23.15 O ATOM 2045 CB ALA A 142 -13.663 -0.010 12.450 1.00 13.35 C ATOM 0 H ALA A 142 -12.979 -0.937 10.188 1.00 75.20 H new ATOM 0 HA ALA A 142 -15.147 0.778 11.118 1.00 34.21 H new ATOM 0 HB1 ALA A 142 -13.883 0.691 13.255 1.00 13.35 H new ATOM 0 HB2 ALA A 142 -14.218 -0.934 12.611 1.00 13.35 H new ATOM 0 HB3 ALA A 142 -12.595 -0.226 12.438 1.00 13.35 H new ATOM 2051 N THR A 143 -12.984 2.255 9.715 1.00 74.34 N ATOM 2052 CA THR A 143 -12.310 3.505 9.439 1.00 74.11 C ATOM 2053 C THR A 143 -12.867 4.154 8.175 1.00 53.22 C ATOM 2054 O THR A 143 -13.509 3.484 7.364 1.00 0.20 O ATOM 2055 CB THR A 143 -10.784 3.297 9.285 1.00 42.32 C ATOM 2056 OG1 THR A 143 -10.513 2.320 8.266 1.00 42.22 O ATOM 2057 CG2 THR A 143 -10.152 2.851 10.591 1.00 14.03 C ATOM 0 H THR A 143 -13.105 1.648 8.904 1.00 74.34 H new ATOM 0 HA THR A 143 -12.489 4.165 10.288 1.00 74.11 H new ATOM 0 HB THR A 143 -10.349 4.255 8.999 1.00 42.32 H new ATOM 0 HG1 THR A 143 -11.353 1.902 7.982 1.00 42.22 H new ATOM 0 HG21 THR A 143 -9.080 2.714 10.448 1.00 14.03 H new ATOM 0 HG22 THR A 143 -10.322 3.609 11.355 1.00 14.03 H new ATOM 0 HG23 THR A 143 -10.599 1.909 10.909 1.00 14.03 H new ATOM 2063 N ASP A 144 -12.604 5.448 8.002 1.00 63.41 N ATOM 2064 CA ASP A 144 -13.064 6.189 6.814 1.00 70.14 C ATOM 2065 C ASP A 144 -12.007 6.165 5.741 1.00 72.11 C ATOM 2066 O ASP A 144 -12.071 6.923 4.765 1.00 25.42 O ATOM 2067 CB ASP A 144 -13.416 7.649 7.146 1.00 63.32 C ATOM 2068 CG ASP A 144 -14.583 7.787 8.087 1.00 53.43 C ATOM 2069 OD1 ASP A 144 -15.751 7.687 7.629 1.00 14.04 O ATOM 2070 OD2 ASP A 144 -14.364 7.997 9.299 1.00 40.11 O ATOM 0 H ASP A 144 -12.074 6.012 8.667 1.00 63.41 H new ATOM 0 HA ASP A 144 -13.967 5.694 6.458 1.00 70.14 H new ATOM 0 HB2 ASP A 144 -12.545 8.133 7.587 1.00 63.32 H new ATOM 0 HB3 ASP A 144 -13.641 8.179 6.221 1.00 63.32 H new ATOM 2075 N ILE A 145 -11.047 5.287 5.915 1.00 35.32 N ATOM 2076 CA ILE A 145 -9.965 5.129 4.984 1.00 44.42 C ATOM 2077 C ILE A 145 -10.482 4.440 3.734 1.00 23.43 C ATOM 2078 O ILE A 145 -11.010 3.325 3.792 1.00 31.23 O ATOM 2079 CB ILE A 145 -8.823 4.302 5.604 1.00 24.31 C ATOM 2080 CG1 ILE A 145 -8.332 4.978 6.884 1.00 52.24 C ATOM 2081 CG2 ILE A 145 -7.667 4.146 4.604 1.00 24.13 C ATOM 2082 CD1 ILE A 145 -7.313 4.175 7.649 1.00 52.40 C ATOM 0 H ILE A 145 -10.999 4.658 6.717 1.00 35.32 H new ATOM 0 HA ILE A 145 -9.571 6.113 4.730 1.00 44.42 H new ATOM 0 HB ILE A 145 -9.199 3.309 5.848 1.00 24.31 H new ATOM 0 HG12 ILE A 145 -7.900 5.946 6.629 1.00 52.24 H new ATOM 0 HG13 ILE A 145 -9.187 5.172 7.531 1.00 52.24 H new ATOM 0 HG21 ILE A 145 -6.869 3.559 5.059 1.00 24.13 H new ATOM 0 HG22 ILE A 145 -8.026 3.638 3.709 1.00 24.13 H new ATOM 0 HG23 ILE A 145 -7.285 5.130 4.334 1.00 24.13 H new ATOM 0 HD11 ILE A 145 -7.015 4.722 8.543 1.00 52.40 H new ATOM 0 HD12 ILE A 145 -7.746 3.217 7.937 1.00 52.40 H new ATOM 0 HD13 ILE A 145 -6.439 4.003 7.021 1.00 52.40 H new ATOM 2089 N LYS A 146 -10.346 5.104 2.633 1.00 65.01 N ATOM 2090 CA LYS A 146 -10.812 4.601 1.386 1.00 71.42 C ATOM 2091 C LYS A 146 -9.636 4.105 0.583 1.00 72.21 C ATOM 2092 O LYS A 146 -8.639 4.822 0.412 1.00 20.51 O ATOM 2093 CB LYS A 146 -11.558 5.697 0.626 1.00 11.50 C ATOM 2094 CG LYS A 146 -12.699 6.341 1.411 1.00 71.34 C ATOM 2095 CD LYS A 146 -13.785 5.363 1.916 1.00 32.24 C ATOM 2096 CE LYS A 146 -14.590 4.654 0.807 1.00 53.23 C ATOM 2097 NZ LYS A 146 -13.827 3.635 0.048 1.00 13.03 N ATOM 0 H LYS A 146 -9.903 6.021 2.575 1.00 65.01 H new ATOM 0 HA LYS A 146 -11.502 3.775 1.557 1.00 71.42 H new ATOM 0 HB2 LYS A 146 -10.847 6.472 0.339 1.00 11.50 H new ATOM 0 HB3 LYS A 146 -11.959 5.275 -0.296 1.00 11.50 H new ATOM 0 HG2 LYS A 146 -12.278 6.865 2.269 1.00 71.34 H new ATOM 0 HG3 LYS A 146 -13.174 7.092 0.780 1.00 71.34 H new ATOM 0 HD2 LYS A 146 -13.309 4.606 2.539 1.00 32.24 H new ATOM 0 HD3 LYS A 146 -14.478 5.911 2.554 1.00 32.24 H new ATOM 0 HE2 LYS A 146 -15.461 4.177 1.257 1.00 53.23 H new ATOM 0 HE3 LYS A 146 -14.962 5.405 0.110 1.00 53.23 H new ATOM 0 HZ1 LYS A 146 -14.479 2.908 -0.310 1.00 13.03 H new ATOM 0 HZ2 LYS A 146 -13.342 4.089 -0.752 1.00 13.03 H new ATOM 0 HZ3 LYS A 146 -13.124 3.191 0.673 1.00 13.03 H new ATOM 2111 N ILE A 147 -9.726 2.890 0.119 1.00 61.51 N ATOM 2112 CA ILE A 147 -8.661 2.302 -0.632 1.00 64.45 C ATOM 2113 C ILE A 147 -9.020 2.150 -2.080 1.00 3.34 C ATOM 2114 O ILE A 147 -10.102 1.664 -2.433 1.00 73.12 O ATOM 2115 CB ILE A 147 -8.195 0.967 -0.013 1.00 24.31 C ATOM 2116 CG1 ILE A 147 -7.571 1.261 1.342 1.00 30.31 C ATOM 2117 CG2 ILE A 147 -7.202 0.235 -0.926 1.00 61.42 C ATOM 2118 CD1 ILE A 147 -7.100 0.048 2.091 1.00 2.40 C ATOM 0 H ILE A 147 -10.536 2.285 0.252 1.00 61.51 H new ATOM 0 HA ILE A 147 -7.816 2.989 -0.583 1.00 64.45 H new ATOM 0 HB ILE A 147 -9.054 0.306 0.106 1.00 24.31 H new ATOM 0 HG12 ILE A 147 -6.726 1.934 1.199 1.00 30.31 H new ATOM 0 HG13 ILE A 147 -8.300 1.790 1.956 1.00 30.31 H new ATOM 0 HG21 ILE A 147 -6.897 -0.700 -0.456 1.00 61.42 H new ATOM 0 HG22 ILE A 147 -7.677 0.022 -1.884 1.00 61.42 H new ATOM 0 HG23 ILE A 147 -6.326 0.863 -1.088 1.00 61.42 H new ATOM 0 HD11 ILE A 147 -6.670 0.354 3.045 1.00 2.40 H new ATOM 0 HD12 ILE A 147 -7.943 -0.619 2.270 1.00 2.40 H new ATOM 0 HD13 ILE A 147 -6.345 -0.472 1.502 1.00 2.40 H new ATOM 2125 N THR A 148 -8.139 2.586 -2.902 1.00 61.23 N ATOM 2126 CA THR A 148 -8.311 2.511 -4.311 1.00 2.21 C ATOM 2127 C THR A 148 -7.147 1.723 -4.895 1.00 12.40 C ATOM 2128 O THR A 148 -5.978 2.082 -4.685 1.00 3.42 O ATOM 2129 CB THR A 148 -8.352 3.932 -4.912 1.00 11.34 C ATOM 2130 OG1 THR A 148 -9.353 4.704 -4.220 1.00 21.51 O ATOM 2131 CG2 THR A 148 -8.705 3.881 -6.393 1.00 61.20 C ATOM 0 H THR A 148 -7.260 3.014 -2.612 1.00 61.23 H new ATOM 0 HA THR A 148 -9.251 2.013 -4.550 1.00 2.21 H new ATOM 0 HB THR A 148 -7.369 4.389 -4.800 1.00 11.34 H new ATOM 0 HG1 THR A 148 -9.385 5.609 -4.594 1.00 21.51 H new ATOM 0 HG21 THR A 148 -8.728 4.893 -6.797 1.00 61.20 H new ATOM 0 HG22 THR A 148 -7.956 3.295 -6.926 1.00 61.20 H new ATOM 0 HG23 THR A 148 -9.684 3.418 -6.518 1.00 61.20 H new ATOM 2137 N VAL A 149 -7.443 0.643 -5.584 1.00 12.21 N ATOM 2138 CA VAL A 149 -6.404 -0.154 -6.156 1.00 61.31 C ATOM 2139 C VAL A 149 -6.299 0.114 -7.628 1.00 22.34 C ATOM 2140 O VAL A 149 -7.312 0.148 -8.359 1.00 63.45 O ATOM 2141 CB VAL A 149 -6.552 -1.698 -5.898 1.00 41.24 C ATOM 2142 CG1 VAL A 149 -6.724 -2.008 -4.430 1.00 32.44 C ATOM 2143 CG2 VAL A 149 -7.645 -2.347 -6.738 1.00 74.54 C ATOM 0 H VAL A 149 -8.390 0.306 -5.756 1.00 12.21 H new ATOM 0 HA VAL A 149 -5.488 0.145 -5.647 1.00 61.31 H new ATOM 0 HB VAL A 149 -5.613 -2.145 -6.225 1.00 41.24 H new ATOM 0 HG11 VAL A 149 -6.823 -3.085 -4.295 1.00 32.44 H new ATOM 0 HG12 VAL A 149 -5.854 -1.651 -3.878 1.00 32.44 H new ATOM 0 HG13 VAL A 149 -7.619 -1.512 -4.056 1.00 32.44 H new ATOM 0 HG21 VAL A 149 -7.694 -3.412 -6.511 1.00 74.54 H new ATOM 0 HG22 VAL A 149 -8.604 -1.883 -6.509 1.00 74.54 H new ATOM 0 HG23 VAL A 149 -7.420 -2.211 -7.796 1.00 74.54 H new ATOM 2149 N TYR A 150 -5.116 0.346 -8.054 1.00 24.22 N ATOM 2150 CA TYR A 150 -4.847 0.519 -9.429 1.00 12.34 C ATOM 2151 C TYR A 150 -4.462 -0.792 -10.032 1.00 25.23 C ATOM 2152 O TYR A 150 -3.544 -1.476 -9.567 1.00 25.10 O ATOM 2153 CB TYR A 150 -3.822 1.620 -9.673 1.00 21.21 C ATOM 2154 CG TYR A 150 -4.417 3.006 -9.544 1.00 32.32 C ATOM 2155 CD1 TYR A 150 -4.943 3.463 -8.339 1.00 31.41 C ATOM 2156 CD2 TYR A 150 -4.482 3.846 -10.645 1.00 32.23 C ATOM 2157 CE1 TYR A 150 -5.509 4.717 -8.240 1.00 23.41 C ATOM 2158 CE2 TYR A 150 -5.045 5.097 -10.556 1.00 74.30 C ATOM 2159 CZ TYR A 150 -5.558 5.531 -9.354 1.00 61.33 C ATOM 2160 OH TYR A 150 -6.128 6.784 -9.266 1.00 33.42 O ATOM 0 H TYR A 150 -4.297 0.422 -7.451 1.00 24.22 H new ATOM 0 HA TYR A 150 -5.753 0.859 -9.931 1.00 12.34 H new ATOM 0 HB2 TYR A 150 -3.002 1.513 -8.963 1.00 21.21 H new ATOM 0 HB3 TYR A 150 -3.397 1.502 -10.670 1.00 21.21 H new ATOM 0 HD1 TYR A 150 -4.907 2.826 -7.468 1.00 31.41 H new ATOM 0 HD2 TYR A 150 -4.083 3.511 -11.591 1.00 32.23 H new ATOM 0 HE1 TYR A 150 -5.911 5.060 -7.298 1.00 23.41 H new ATOM 0 HE2 TYR A 150 -5.085 5.737 -11.425 1.00 74.30 H new ATOM 0 HH TYR A 150 -6.080 7.227 -10.139 1.00 33.42 H new ATOM 2170 N THR A 151 -5.208 -1.161 -11.001 1.00 73.35 N ATOM 2171 CA THR A 151 -5.047 -2.388 -11.675 1.00 73.15 C ATOM 2172 C THR A 151 -4.631 -2.069 -13.099 1.00 70.34 C ATOM 2173 O THR A 151 -5.264 -1.248 -13.744 1.00 73.21 O ATOM 2174 CB THR A 151 -6.399 -3.105 -11.666 1.00 73.32 C ATOM 2175 OG1 THR A 151 -6.891 -3.140 -10.304 1.00 33.14 O ATOM 2176 CG2 THR A 151 -6.257 -4.512 -12.152 1.00 24.54 C ATOM 0 H THR A 151 -5.977 -0.595 -11.360 1.00 73.35 H new ATOM 0 HA THR A 151 -4.297 -3.023 -11.204 1.00 73.15 H new ATOM 0 HB THR A 151 -7.086 -2.571 -12.322 1.00 73.32 H new ATOM 0 HG1 THR A 151 -7.871 -3.131 -10.310 1.00 33.14 H new ATOM 0 HG21 THR A 151 -7.230 -5.002 -12.137 1.00 24.54 H new ATOM 0 HG22 THR A 151 -5.869 -4.508 -13.170 1.00 24.54 H new ATOM 0 HG23 THR A 151 -5.568 -5.053 -11.503 1.00 24.54 H new ATOM 2182 N LEU A 152 -3.582 -2.684 -13.577 1.00 4.03 N ATOM 2183 CA LEU A 152 -3.080 -2.343 -14.888 1.00 13.41 C ATOM 2184 C LEU A 152 -3.836 -3.130 -15.957 1.00 22.31 C ATOM 2185 O LEU A 152 -3.349 -4.193 -16.391 1.00 37.40 O ATOM 2186 CB LEU A 152 -1.571 -2.625 -14.977 1.00 34.52 C ATOM 2187 CG LEU A 152 -0.703 -2.079 -13.849 1.00 54.42 C ATOM 2188 CD1 LEU A 152 0.753 -2.324 -14.127 1.00 72.13 C ATOM 2189 CD2 LEU A 152 -0.940 -0.629 -13.625 1.00 23.34 C ATOM 2190 OXT LEU A 152 -4.945 -2.703 -16.349 1.00 37.40 O ATOM 0 H LEU A 152 -3.062 -3.414 -13.089 1.00 4.03 H new ATOM 0 HA LEU A 152 -3.238 -1.278 -15.059 1.00 13.41 H new ATOM 0 HB2 LEU A 152 -1.429 -3.705 -15.023 1.00 34.52 H new ATOM 0 HB3 LEU A 152 -1.203 -2.215 -15.918 1.00 34.52 H new ATOM 0 HG LEU A 152 -0.985 -2.612 -12.941 1.00 54.42 H new ATOM 0 HD11 LEU A 152 1.352 -1.925 -13.308 1.00 72.13 H new ATOM 0 HD12 LEU A 152 0.931 -3.396 -14.219 1.00 72.13 H new ATOM 0 HD13 LEU A 152 1.034 -1.829 -15.056 1.00 72.13 H new ATOM 0 HD21 LEU A 152 -0.303 -0.277 -12.813 1.00 23.34 H new ATOM 0 HD22 LEU A 152 -0.706 -0.077 -14.535 1.00 23.34 H new ATOM 0 HD23 LEU A 152 -1.985 -0.468 -13.362 1.00 23.34 H new