USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1067 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 115 GLN : amide:sc= -1.24 K(o=-2,f=-3.1!) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.784 USER MOD Set 2.1: A 98 ASN : amide:sc=-0.00538 K(o=0.57,f=-0.72) USER MOD Set 2.2: A 100 ASN : amide:sc= 0.57 K(o=0.57,f=-3.6) USER MOD Single : A 0 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 0 GLN N :NH3+ -111:sc= 0.0753 (180deg=0) USER MOD Single : A 4 SER OG : rot 100:sc= 1.66 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= 0.884 (180deg=0.183) USER MOD Single : A 11 SER OG : rot -120:sc= -1.63! USER MOD Single : A 13 ASN :FLIP amide:sc= -0.382 F(o=-5.1!,f=-0.38) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= 0.993 (180deg=-1.4) USER MOD Single : A 18 MET CE :methyl -114:sc= -1.62 (180deg=-5.38!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.289 F(o=-0.95,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.233) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.122 F(o=-0.49,f=0.12) USER MOD Single : A 35 ASN : amide:sc=-0.00517 X(o=-0.0052,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= 1.1 (180deg=0.43) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 34:sc= 1.13 USER MOD Single : A 42 GLN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 45 ASN : amide:sc= -0.676 K(o=-0.68,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc=-0.00196 (180deg=-0.0445) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.873) USER MOD Single : A 52 SER OG : rot 180:sc= -0.193 USER MOD Single : A 53 SER OG : rot -74:sc= 0.47 USER MOD Single : A 57 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.21 K(o=-2.2,f=-6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0.00179 USER MOD Single : A 71 ASN : amide:sc= -1.75 X(o=-1.8,f=-1.4) USER MOD Single : A 76 THR OG1 : rot -174:sc= -0.178 USER MOD Single : A 81 THR OG1 : rot -69:sc= -3.64! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 144:sc= 0.588 (180deg=-0.0139) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -41:sc= 0.0363 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.501 F(o=-1.2,f=-0.5) USER MOD Single : A 104 THR OG1 : rot -86:sc= 0.971 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 119 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 125 LYS NZ :NH3+ 141:sc= 0.0478 (180deg=-0.0846) USER MOD Single : A 129 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.62) USER MOD Single : A 130 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0247) USER MOD ----------------------------------------------------------------- ATOM 152 N GLN A 0 -16.293 -1.023 -1.569 1.00 60.44 N ATOM 153 CA GLN A 0 -14.906 -0.792 -2.030 1.00 61.24 C ATOM 154 C GLN A 0 -14.220 -2.105 -2.430 1.00 12.20 C ATOM 155 O GLN A 0 -14.734 -3.194 -2.164 1.00 22.10 O ATOM 156 CB GLN A 0 -14.074 -0.100 -0.938 1.00 71.13 C ATOM 157 CG GLN A 0 -14.397 1.378 -0.757 1.00 5.53 C ATOM 158 CD GLN A 0 -14.454 1.785 0.702 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.520 2.094 1.234 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.298 1.786 1.356 1.00 54.33 N ATOM 0 H1 GLN A 0 -16.960 -0.629 -2.263 1.00 60.44 H new ATOM 0 H2 GLN A 0 -16.460 -2.045 -1.469 1.00 60.44 H new ATOM 0 H3 GLN A 0 -16.435 -0.558 -0.650 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.965 -0.146 -2.906 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.235 -0.615 0.009 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.016 -0.203 -1.181 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -13.643 1.977 -1.269 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.354 1.598 -1.230 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.439 1.522 0.874 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.269 2.050 2.341 1.00 54.33 H new ATOM 169 N ALA A 1 -13.049 -1.990 -3.069 1.00 1.21 N ATOM 170 CA ALA A 1 -12.282 -3.160 -3.509 1.00 51.03 C ATOM 171 C ALA A 1 -11.007 -3.342 -2.690 1.00 53.42 C ATOM 172 O ALA A 1 -10.756 -4.421 -2.149 1.00 62.43 O ATOM 173 CB ALA A 1 -11.923 -3.044 -4.990 1.00 43.55 C ATOM 0 H ALA A 1 -12.612 -1.096 -3.293 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.916 -4.034 -3.356 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.354 -3.922 -5.296 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.836 -2.979 -5.582 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.322 -2.149 -5.150 1.00 43.55 H new ATOM 179 N PHE A 2 -10.197 -2.287 -2.629 1.00 12.32 N ATOM 180 CA PHE A 2 -8.921 -2.325 -1.905 1.00 61.12 C ATOM 181 C PHE A 2 -9.094 -2.686 -0.429 1.00 42.03 C ATOM 182 O PHE A 2 -8.221 -3.329 0.152 1.00 2.02 O ATOM 183 CB PHE A 2 -8.199 -0.978 -2.024 1.00 20.43 C ATOM 184 CG PHE A 2 -7.721 -0.675 -3.418 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.534 -1.213 -3.889 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.460 0.143 -4.257 1.00 54.23 C ATOM 187 CE1 PHE A 2 -6.093 -0.940 -5.169 1.00 23.22 C ATOM 188 CE2 PHE A 2 -8.024 0.419 -5.539 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.839 -0.123 -5.996 1.00 35.41 C ATOM 0 H PHE A 2 -10.400 -1.391 -3.073 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.321 -3.109 -2.367 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.871 -0.184 -1.698 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.345 -0.971 -1.346 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -5.947 -1.853 -3.248 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.388 0.570 -3.905 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -5.165 -1.365 -5.523 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.610 1.058 -6.183 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.496 0.091 -6.998 1.00 35.41 H new ATOM 199 N ASP A 3 -10.210 -2.263 0.169 1.00 52.44 N ATOM 200 CA ASP A 3 -10.491 -2.529 1.586 1.00 71.12 C ATOM 201 C ASP A 3 -10.731 -4.019 1.846 1.00 12.10 C ATOM 202 O ASP A 3 -11.862 -4.447 2.083 1.00 13.51 O ATOM 203 CB ASP A 3 -11.703 -1.715 2.033 1.00 72.23 C ATOM 204 CG ASP A 3 -11.328 -0.331 2.532 1.00 2.24 C ATOM 205 OD1 ASP A 3 -10.516 0.348 1.865 1.00 42.25 O ATOM 206 OD2 ASP A 3 -11.850 0.078 3.590 1.00 51.42 O ATOM 0 H ASP A 3 -10.939 -1.732 -0.307 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.617 -2.231 2.164 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.399 -1.620 1.200 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -12.225 -2.253 2.824 1.00 72.23 H new ATOM 211 N SER A 4 -9.655 -4.800 1.800 1.00 65.31 N ATOM 212 CA SER A 4 -9.732 -6.246 2.027 1.00 13.01 C ATOM 213 C SER A 4 -8.467 -6.770 2.716 1.00 4.51 C ATOM 214 O SER A 4 -7.604 -5.992 3.127 1.00 13.23 O ATOM 215 CB SER A 4 -9.965 -6.987 0.700 1.00 23.22 C ATOM 216 OG SER A 4 -9.600 -6.193 -0.415 1.00 34.23 O ATOM 0 H SER A 4 -8.714 -4.457 1.607 1.00 65.31 H new ATOM 0 HA SER A 4 -10.577 -6.435 2.689 1.00 13.01 H new ATOM 0 HB2 SER A 4 -9.387 -7.911 0.693 1.00 23.22 H new ATOM 0 HB3 SER A 4 -11.015 -7.267 0.619 1.00 23.22 H new ATOM 0 HG SER A 4 -8.712 -6.461 -0.731 1.00 34.23 H new ATOM 222 N THR A 5 -8.361 -8.096 2.824 1.00 11.40 N ATOM 223 CA THR A 5 -7.204 -8.734 3.446 1.00 54.54 C ATOM 224 C THR A 5 -6.398 -9.509 2.406 1.00 53.03 C ATOM 225 O THR A 5 -6.854 -10.538 1.911 1.00 21.32 O ATOM 226 CB THR A 5 -7.657 -9.687 4.559 1.00 4.00 C ATOM 227 OG1 THR A 5 -8.560 -9.042 5.439 1.00 55.32 O ATOM 228 CG2 THR A 5 -6.514 -10.234 5.389 1.00 64.44 C ATOM 0 H THR A 5 -9.067 -8.750 2.486 1.00 11.40 H new ATOM 0 HA THR A 5 -6.574 -7.955 3.875 1.00 54.54 H new ATOM 0 HB THR A 5 -8.136 -10.519 4.043 1.00 4.00 H new ATOM 0 HG1 THR A 5 -8.837 -9.668 6.140 1.00 55.32 H new ATOM 0 HG21 THR A 5 -6.908 -10.900 6.157 1.00 64.44 H new ATOM 0 HG22 THR A 5 -5.829 -10.786 4.746 1.00 64.44 H new ATOM 0 HG23 THR A 5 -5.981 -9.409 5.863 1.00 64.44 H new ATOM 236 N TRP A 6 -5.198 -9.019 2.083 1.00 12.00 N ATOM 237 CA TRP A 6 -4.338 -9.685 1.110 1.00 43.53 C ATOM 238 C TRP A 6 -2.991 -10.063 1.734 1.00 40.31 C ATOM 239 O TRP A 6 -2.320 -9.231 2.347 1.00 40.14 O ATOM 240 CB TRP A 6 -4.102 -8.822 -0.141 1.00 43.22 C ATOM 241 CG TRP A 6 -5.147 -7.784 -0.421 1.00 0.41 C ATOM 242 CD1 TRP A 6 -5.542 -6.735 0.363 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.907 -7.699 -1.611 1.00 1.31 C ATOM 244 NE1 TRP A 6 -6.523 -6.015 -0.282 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.762 -6.594 -1.501 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.937 -8.471 -2.756 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.649 -6.240 -2.515 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.812 -8.131 -3.769 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.661 -7.021 -3.642 1.00 71.32 C ATOM 0 H TRP A 6 -4.804 -8.167 2.481 1.00 12.00 H new ATOM 0 HA TRP A 6 -4.860 -10.592 0.803 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -3.138 -8.323 -0.039 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -4.030 -9.481 -1.006 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -5.144 -6.506 1.341 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.993 -5.188 0.086 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -5.286 -9.327 -2.858 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -8.301 -5.385 -2.417 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.843 -8.726 -4.669 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -8.337 -6.777 -4.448 1.00 71.32 H new ATOM 260 N LYS A 7 -2.608 -11.327 1.560 1.00 60.22 N ATOM 261 CA LYS A 7 -1.346 -11.852 2.082 1.00 24.32 C ATOM 262 C LYS A 7 -0.326 -11.986 0.956 1.00 55.24 C ATOM 263 O LYS A 7 -0.701 -12.136 -0.210 1.00 63.54 O ATOM 264 CB LYS A 7 -1.594 -13.216 2.750 1.00 64.51 C ATOM 265 CG LYS A 7 -0.980 -14.400 2.011 1.00 73.52 C ATOM 266 CD LYS A 7 -1.027 -15.672 2.843 1.00 63.34 C ATOM 267 CE LYS A 7 -0.162 -16.769 2.236 1.00 44.11 C ATOM 268 NZ LYS A 7 1.248 -16.327 2.032 1.00 63.22 N ATOM 0 H LYS A 7 -3.163 -12.016 1.053 1.00 60.22 H new ATOM 0 HA LYS A 7 -0.947 -11.161 2.824 1.00 24.32 H new ATOM 0 HB2 LYS A 7 -1.194 -13.189 3.763 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -2.669 -13.375 2.836 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.513 -14.559 1.074 1.00 73.52 H new ATOM 0 HG3 LYS A 7 0.055 -14.171 1.755 1.00 73.52 H new ATOM 0 HD2 LYS A 7 -0.687 -15.458 3.856 1.00 63.34 H new ATOM 0 HD3 LYS A 7 -2.057 -16.020 2.919 1.00 63.34 H new ATOM 0 HE2 LYS A 7 -0.176 -17.643 2.887 1.00 44.11 H new ATOM 0 HE3 LYS A 7 -0.586 -17.077 1.280 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 1.854 -17.158 1.879 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 1.300 -15.704 1.201 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 1.575 -15.810 2.873 1.00 63.22 H new ATOM 282 N VAL A 8 0.962 -11.939 1.304 1.00 72.24 N ATOM 283 CA VAL A 8 2.009 -12.068 0.301 1.00 61.43 C ATOM 284 C VAL A 8 1.807 -13.336 -0.504 1.00 22.33 C ATOM 285 O VAL A 8 1.906 -14.450 0.019 1.00 12.22 O ATOM 286 CB VAL A 8 3.426 -12.081 0.907 1.00 12.31 C ATOM 287 CG1 VAL A 8 4.426 -12.724 -0.051 1.00 15.10 C ATOM 288 CG2 VAL A 8 3.876 -10.682 1.220 1.00 1.21 C ATOM 0 H VAL A 8 1.297 -11.814 2.259 1.00 72.24 H new ATOM 0 HA VAL A 8 1.931 -11.189 -0.339 1.00 61.43 H new ATOM 0 HB VAL A 8 3.386 -12.667 1.825 1.00 12.31 H new ATOM 0 HG11 VAL A 8 5.418 -12.720 0.402 1.00 15.10 H new ATOM 0 HG12 VAL A 8 4.125 -13.751 -0.256 1.00 15.10 H new ATOM 0 HG13 VAL A 8 4.451 -12.160 -0.984 1.00 15.10 H new ATOM 0 HG21 VAL A 8 4.878 -10.709 1.647 1.00 1.21 H new ATOM 0 HG22 VAL A 8 3.888 -10.090 0.305 1.00 1.21 H new ATOM 0 HG23 VAL A 8 3.189 -10.230 1.935 1.00 1.21 H new ATOM 298 N ASP A 9 1.527 -13.149 -1.773 1.00 13.03 N ATOM 299 CA ASP A 9 1.312 -14.255 -2.678 1.00 45.52 C ATOM 300 C ASP A 9 2.530 -14.458 -3.557 1.00 52.21 C ATOM 301 O ASP A 9 2.794 -15.570 -4.021 1.00 1.15 O ATOM 302 CB ASP A 9 0.093 -13.971 -3.536 1.00 72.11 C ATOM 303 CG ASP A 9 -0.544 -15.238 -4.075 1.00 25.33 C ATOM 304 OD1 ASP A 9 -0.804 -16.163 -3.276 1.00 3.20 O ATOM 305 OD2 ASP A 9 -0.776 -15.308 -5.300 1.00 43.25 O ATOM 0 H ASP A 9 1.442 -12.230 -2.206 1.00 13.03 H new ATOM 0 HA ASP A 9 1.146 -15.165 -2.101 1.00 45.52 H new ATOM 0 HB2 ASP A 9 -0.641 -13.420 -2.948 1.00 72.11 H new ATOM 0 HB3 ASP A 9 0.380 -13.329 -4.369 1.00 72.11 H new ATOM 310 N ARG A 10 3.262 -13.370 -3.797 1.00 71.31 N ATOM 311 CA ARG A 10 4.439 -13.425 -4.638 1.00 41.02 C ATOM 312 C ARG A 10 5.193 -12.101 -4.649 1.00 34.12 C ATOM 313 O ARG A 10 4.754 -11.107 -4.062 1.00 0.20 O ATOM 314 CB ARG A 10 4.016 -13.780 -6.063 1.00 41.02 C ATOM 315 CG ARG A 10 2.826 -12.957 -6.547 1.00 34.10 C ATOM 316 CD ARG A 10 1.755 -13.832 -7.175 1.00 23.53 C ATOM 317 NE ARG A 10 2.143 -14.294 -8.507 1.00 62.43 N ATOM 318 CZ ARG A 10 1.714 -15.428 -9.064 1.00 74.41 C ATOM 319 NH1 ARG A 10 0.856 -16.220 -8.422 1.00 40.23 N ATOM 320 NH2 ARG A 10 2.141 -15.769 -10.274 1.00 71.31 N ATOM 0 H ARG A 10 3.054 -12.446 -3.418 1.00 71.31 H new ATOM 0 HA ARG A 10 5.109 -14.184 -4.234 1.00 41.02 H new ATOM 0 HB2 ARG A 10 4.858 -13.624 -6.737 1.00 41.02 H new ATOM 0 HB3 ARG A 10 3.763 -14.839 -6.109 1.00 41.02 H new ATOM 0 HG2 ARG A 10 2.400 -12.406 -5.709 1.00 34.10 H new ATOM 0 HG3 ARG A 10 3.166 -12.219 -7.274 1.00 34.10 H new ATOM 0 HD2 ARG A 10 1.566 -14.692 -6.533 1.00 23.53 H new ATOM 0 HD3 ARG A 10 0.822 -13.273 -7.242 1.00 23.53 H new ATOM 0 HE ARG A 10 2.784 -13.711 -9.046 1.00 62.43 H new ATOM 0 HH11 ARG A 10 0.520 -15.962 -7.494 1.00 40.23 H new ATOM 0 HH12 ARG A 10 0.535 -17.084 -8.858 1.00 40.23 H new ATOM 0 HH21 ARG A 10 2.794 -15.165 -10.773 1.00 71.31 H new ATOM 0 HH22 ARG A 10 1.816 -16.635 -10.704 1.00 71.31 H new ATOM 334 N SER A 11 6.327 -12.104 -5.342 1.00 53.11 N ATOM 335 CA SER A 11 7.165 -10.922 -5.473 1.00 4.00 C ATOM 336 C SER A 11 7.931 -10.973 -6.796 1.00 54.52 C ATOM 337 O SER A 11 8.095 -12.047 -7.382 1.00 54.02 O ATOM 338 CB SER A 11 8.134 -10.825 -4.284 1.00 44.14 C ATOM 339 OG SER A 11 9.389 -10.288 -4.670 1.00 42.23 O ATOM 0 H SER A 11 6.689 -12.925 -5.827 1.00 53.11 H new ATOM 0 HA SER A 11 6.534 -10.033 -5.472 1.00 4.00 H new ATOM 0 HB2 SER A 11 7.694 -10.200 -3.507 1.00 44.14 H new ATOM 0 HB3 SER A 11 8.280 -11.815 -3.852 1.00 44.14 H new ATOM 0 HG SER A 11 10.096 -10.939 -4.480 1.00 42.23 H new ATOM 345 N GLU A 12 8.397 -9.817 -7.266 1.00 12.23 N ATOM 346 CA GLU A 12 9.138 -9.748 -8.520 1.00 60.12 C ATOM 347 C GLU A 12 10.248 -8.704 -8.452 1.00 60.42 C ATOM 348 O GLU A 12 9.999 -7.541 -8.122 1.00 61.43 O ATOM 349 CB GLU A 12 8.196 -9.418 -9.679 1.00 64.25 C ATOM 350 CG GLU A 12 7.220 -10.533 -10.020 1.00 53.14 C ATOM 351 CD GLU A 12 6.262 -10.144 -11.128 1.00 60.25 C ATOM 352 OE1 GLU A 12 6.685 -10.129 -12.303 1.00 0.03 O ATOM 353 OE2 GLU A 12 5.090 -9.847 -10.822 1.00 22.13 O ATOM 0 H GLU A 12 8.274 -8.919 -6.798 1.00 12.23 H new ATOM 0 HA GLU A 12 9.592 -10.725 -8.688 1.00 60.12 H new ATOM 0 HB2 GLU A 12 7.632 -8.519 -9.431 1.00 64.25 H new ATOM 0 HB3 GLU A 12 8.791 -9.187 -10.563 1.00 64.25 H new ATOM 0 HG2 GLU A 12 7.777 -11.421 -10.320 1.00 53.14 H new ATOM 0 HG3 GLU A 12 6.652 -10.800 -9.129 1.00 53.14 H new ATOM 360 N ASN A 13 11.468 -9.133 -8.784 1.00 31.20 N ATOM 361 CA ASN A 13 12.640 -8.251 -8.792 1.00 42.23 C ATOM 362 C ASN A 13 13.118 -7.884 -7.379 1.00 61.22 C ATOM 363 O ASN A 13 14.010 -7.047 -7.227 1.00 22.31 O ATOM 364 CB ASN A 13 12.329 -6.976 -9.583 1.00 75.24 C ATOM 365 CG ASN A 13 13.575 -6.199 -9.954 1.00 53.02 C ATOM 366 OD1 ASN A 13 13.912 -5.202 -9.146 1.00 53.23 O flip ATOM 367 ND2 ASN A 13 14.227 -6.492 -10.955 1.00 4.24 N flip ATOM 0 H ASN A 13 11.672 -10.095 -9.053 1.00 31.20 H new ATOM 0 HA ASN A 13 13.450 -8.801 -9.271 1.00 42.23 H new ATOM 0 HB2 ASN A 13 11.787 -7.240 -10.491 1.00 75.24 H new ATOM 0 HB3 ASN A 13 11.671 -6.339 -8.993 1.00 75.24 H new ATOM 0 HD21 ASN A 13 13.930 -7.267 -11.548 1.00 4.24 H new ATOM 0 HD22 ASN A 13 15.064 -5.960 -11.192 1.00 4.24 H new ATOM 374 N TYR A 14 12.540 -8.503 -6.347 1.00 43.02 N ATOM 375 CA TYR A 14 12.937 -8.210 -4.972 1.00 4.22 C ATOM 376 C TYR A 14 14.428 -8.417 -4.762 1.00 1.00 C ATOM 377 O TYR A 14 15.061 -7.675 -4.009 1.00 20.22 O ATOM 378 CB TYR A 14 12.180 -9.101 -3.989 1.00 75.13 C ATOM 379 CG TYR A 14 12.319 -8.673 -2.545 1.00 40.31 C ATOM 380 CD1 TYR A 14 12.171 -7.342 -2.175 1.00 44.41 C ATOM 381 CD2 TYR A 14 12.612 -9.600 -1.554 1.00 32.44 C ATOM 382 CE1 TYR A 14 12.314 -6.948 -0.859 1.00 63.31 C ATOM 383 CE2 TYR A 14 12.753 -9.215 -0.234 1.00 42.42 C ATOM 384 CZ TYR A 14 12.605 -7.889 0.108 1.00 34.41 C ATOM 385 OH TYR A 14 12.756 -7.503 1.421 1.00 23.24 O ATOM 0 H TYR A 14 11.803 -9.203 -6.437 1.00 43.02 H new ATOM 0 HA TYR A 14 12.694 -7.163 -4.790 1.00 4.22 H new ATOM 0 HB2 TYR A 14 11.123 -9.105 -4.257 1.00 75.13 H new ATOM 0 HB3 TYR A 14 12.539 -10.125 -4.091 1.00 75.13 H new ATOM 0 HD1 TYR A 14 11.940 -6.604 -2.929 1.00 44.41 H new ATOM 0 HD2 TYR A 14 12.732 -10.640 -1.819 1.00 32.44 H new ATOM 0 HE1 TYR A 14 12.199 -5.909 -0.588 1.00 63.31 H new ATOM 0 HE2 TYR A 14 12.978 -9.950 0.525 1.00 42.42 H new ATOM 0 HH TYR A 14 12.957 -8.288 1.972 1.00 23.24 H new ATOM 395 N ASP A 15 14.969 -9.447 -5.408 1.00 23.35 N ATOM 396 CA ASP A 15 16.378 -9.786 -5.275 1.00 72.42 C ATOM 397 C ASP A 15 17.280 -8.548 -5.322 1.00 14.04 C ATOM 398 O ASP A 15 18.157 -8.382 -4.474 1.00 21.24 O ATOM 399 CB ASP A 15 16.798 -10.789 -6.358 1.00 2.15 C ATOM 400 CG ASP A 15 16.755 -10.204 -7.758 1.00 40.42 C ATOM 401 OD1 ASP A 15 15.640 -10.006 -8.285 1.00 0.44 O ATOM 402 OD2 ASP A 15 17.836 -9.940 -8.326 1.00 21.43 O ATOM 0 H ASP A 15 14.447 -10.063 -6.032 1.00 23.35 H new ATOM 0 HA ASP A 15 16.504 -10.245 -4.294 1.00 72.42 H new ATOM 0 HB2 ASP A 15 17.808 -11.140 -6.148 1.00 2.15 H new ATOM 0 HB3 ASP A 15 16.143 -11.659 -6.313 1.00 2.15 H new ATOM 407 N LYS A 16 17.064 -7.687 -6.316 1.00 23.40 N ATOM 408 CA LYS A 16 17.869 -6.476 -6.467 1.00 32.21 C ATOM 409 C LYS A 16 17.597 -5.463 -5.352 1.00 43.24 C ATOM 410 O LYS A 16 18.506 -4.756 -4.929 1.00 11.02 O ATOM 411 CB LYS A 16 17.613 -5.828 -7.830 1.00 74.53 C ATOM 412 CG LYS A 16 18.842 -5.148 -8.420 1.00 53.44 C ATOM 413 CD LYS A 16 19.170 -5.680 -9.807 1.00 13.01 C ATOM 414 CE LYS A 16 19.550 -7.157 -9.772 1.00 5.42 C ATOM 415 NZ LYS A 16 18.448 -8.035 -10.265 1.00 13.00 N ATOM 0 H LYS A 16 16.341 -7.805 -7.026 1.00 23.40 H new ATOM 0 HA LYS A 16 18.915 -6.776 -6.398 1.00 32.21 H new ATOM 0 HB2 LYS A 16 17.260 -6.590 -8.525 1.00 74.53 H new ATOM 0 HB3 LYS A 16 16.814 -5.093 -7.730 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.672 -4.073 -8.474 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.695 -5.303 -7.760 1.00 53.44 H new ATOM 0 HD2 LYS A 16 18.310 -5.541 -10.462 1.00 13.01 H new ATOM 0 HD3 LYS A 16 19.991 -5.103 -10.233 1.00 13.01 H new ATOM 0 HE2 LYS A 16 20.439 -7.316 -10.382 1.00 5.42 H new ATOM 0 HE3 LYS A 16 19.809 -7.440 -8.752 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 18.212 -8.738 -9.536 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 17.609 -7.456 -10.472 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 18.754 -8.523 -11.131 1.00 13.00 H new ATOM 429 N PHE A 17 16.347 -5.387 -4.887 1.00 21.32 N ATOM 430 CA PHE A 17 15.977 -4.442 -3.828 1.00 53.14 C ATOM 431 C PHE A 17 16.768 -4.688 -2.538 1.00 54.05 C ATOM 432 O PHE A 17 17.298 -3.745 -1.945 1.00 22.43 O ATOM 433 CB PHE A 17 14.472 -4.514 -3.541 1.00 53.54 C ATOM 434 CG PHE A 17 14.006 -3.533 -2.496 1.00 63.54 C ATOM 435 CD1 PHE A 17 13.670 -2.231 -2.843 1.00 14.05 C ATOM 436 CD2 PHE A 17 13.905 -3.914 -1.166 1.00 2.03 C ATOM 437 CE1 PHE A 17 13.243 -1.333 -1.883 1.00 5.21 C ATOM 438 CE2 PHE A 17 13.479 -3.019 -0.204 1.00 31.31 C ATOM 439 CZ PHE A 17 13.147 -1.727 -0.563 1.00 2.31 C ATOM 0 H PHE A 17 15.577 -5.965 -5.225 1.00 21.32 H new ATOM 0 HA PHE A 17 16.227 -3.444 -4.187 1.00 53.14 H new ATOM 0 HB2 PHE A 17 13.926 -4.332 -4.466 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.221 -5.524 -3.216 1.00 53.54 H new ATOM 0 HD1 PHE A 17 13.743 -1.917 -3.874 1.00 14.05 H new ATOM 0 HD2 PHE A 17 14.163 -4.923 -0.879 1.00 2.03 H new ATOM 0 HE1 PHE A 17 12.984 -0.323 -2.165 1.00 5.21 H new ATOM 0 HE2 PHE A 17 13.406 -3.329 0.828 1.00 31.31 H new ATOM 0 HZ PHE A 17 12.813 -1.026 0.188 1.00 2.31 H new ATOM 449 N MET A 18 16.847 -5.950 -2.104 1.00 12.41 N ATOM 450 CA MET A 18 17.579 -6.289 -0.878 1.00 32.52 C ATOM 451 C MET A 18 19.078 -6.119 -1.084 1.00 1.44 C ATOM 452 O MET A 18 19.750 -5.447 -0.299 1.00 55.44 O ATOM 453 CB MET A 18 17.293 -7.727 -0.413 1.00 14.21 C ATOM 454 CG MET A 18 15.933 -8.275 -0.819 1.00 20.12 C ATOM 455 SD MET A 18 16.062 -9.561 -2.076 1.00 35.30 S ATOM 456 CE MET A 18 15.456 -10.990 -1.185 1.00 2.42 C ATOM 0 H MET A 18 16.419 -6.746 -2.577 1.00 12.41 H new ATOM 0 HA MET A 18 17.232 -5.604 -0.105 1.00 32.52 H new ATOM 0 HB2 MET A 18 18.066 -8.383 -0.813 1.00 14.21 H new ATOM 0 HB3 MET A 18 17.374 -7.764 0.673 1.00 14.21 H new ATOM 0 HG2 MET A 18 15.429 -8.678 0.059 1.00 20.12 H new ATOM 0 HG3 MET A 18 15.314 -7.461 -1.197 1.00 20.12 H new ATOM 0 HE1 MET A 18 16.265 -11.709 -1.057 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.088 -10.680 -0.207 1.00 2.42 H new ATOM 0 HE3 MET A 18 14.645 -11.453 -1.748 1.00 2.42 H new ATOM 466 N GLU A 19 19.597 -6.736 -2.145 1.00 33.14 N ATOM 467 CA GLU A 19 21.021 -6.659 -2.454 1.00 12.13 C ATOM 468 C GLU A 19 21.462 -5.208 -2.691 1.00 73.11 C ATOM 469 O GLU A 19 22.592 -4.842 -2.366 1.00 14.15 O ATOM 470 CB GLU A 19 21.355 -7.524 -3.676 1.00 43.55 C ATOM 471 CG GLU A 19 20.899 -8.973 -3.544 1.00 64.34 C ATOM 472 CD GLU A 19 22.052 -9.960 -3.497 1.00 11.02 C ATOM 473 OE1 GLU A 19 22.916 -9.829 -2.602 1.00 42.41 O ATOM 474 OE2 GLU A 19 22.087 -10.870 -4.352 1.00 3.41 O ATOM 0 H GLU A 19 19.052 -7.293 -2.803 1.00 33.14 H new ATOM 0 HA GLU A 19 21.569 -7.042 -1.593 1.00 12.13 H new ATOM 0 HB2 GLU A 19 20.890 -7.085 -4.559 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.432 -7.505 -3.840 1.00 43.55 H new ATOM 0 HG2 GLU A 19 20.302 -9.078 -2.638 1.00 64.34 H new ATOM 0 HG3 GLU A 19 20.250 -9.221 -4.384 1.00 64.34 H new ATOM 481 N LYS A 20 20.561 -4.389 -3.252 1.00 34.31 N ATOM 482 CA LYS A 20 20.854 -2.976 -3.526 1.00 75.12 C ATOM 483 C LYS A 20 21.337 -2.258 -2.272 1.00 52.41 C ATOM 484 O LYS A 20 22.418 -1.669 -2.261 1.00 0.31 O ATOM 485 CB LYS A 20 19.610 -2.257 -4.058 1.00 1.30 C ATOM 486 CG LYS A 20 19.716 -1.849 -5.515 1.00 71.41 C ATOM 487 CD LYS A 20 20.614 -0.635 -5.691 1.00 42.03 C ATOM 488 CE LYS A 20 20.477 -0.039 -7.083 1.00 31.24 C ATOM 489 NZ LYS A 20 21.152 -0.869 -8.120 1.00 51.13 N ATOM 0 H LYS A 20 19.623 -4.682 -3.525 1.00 34.31 H new ATOM 0 HA LYS A 20 21.643 -2.952 -4.278 1.00 75.12 H new ATOM 0 HB2 LYS A 20 18.745 -2.908 -3.935 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.429 -1.368 -3.454 1.00 1.30 H new ATOM 0 HG2 LYS A 20 20.109 -2.681 -6.099 1.00 71.41 H new ATOM 0 HG3 LYS A 20 18.723 -1.627 -5.905 1.00 71.41 H new ATOM 0 HD2 LYS A 20 20.360 0.118 -4.945 1.00 42.03 H new ATOM 0 HD3 LYS A 20 21.652 -0.920 -5.516 1.00 42.03 H new ATOM 0 HE2 LYS A 20 19.420 0.061 -7.331 1.00 31.24 H new ATOM 0 HE3 LYS A 20 20.902 0.965 -7.090 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 21.033 -0.424 -9.052 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 22.166 -0.944 -7.899 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.730 -1.819 -8.133 1.00 51.13 H new ATOM 503 N MET A 21 20.518 -2.305 -1.224 1.00 1.05 N ATOM 504 CA MET A 21 20.845 -1.654 0.041 1.00 41.22 C ATOM 505 C MET A 21 22.104 -2.255 0.670 1.00 13.10 C ATOM 506 O MET A 21 22.855 -1.561 1.359 1.00 1.00 O ATOM 507 CB MET A 21 19.670 -1.771 1.012 1.00 53.53 C ATOM 508 CG MET A 21 18.455 -0.967 0.583 1.00 51.42 C ATOM 509 SD MET A 21 17.861 0.136 1.876 1.00 13.44 S ATOM 510 CE MET A 21 16.165 -0.413 2.017 1.00 34.41 C ATOM 0 H MET A 21 19.620 -2.789 -1.227 1.00 1.05 H new ATOM 0 HA MET A 21 21.040 -0.602 -0.165 1.00 41.22 H new ATOM 0 HB2 MET A 21 19.388 -2.820 1.106 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.989 -1.436 1.999 1.00 53.53 H new ATOM 0 HG2 MET A 21 18.706 -0.382 -0.302 1.00 51.42 H new ATOM 0 HG3 MET A 21 17.655 -1.650 0.297 1.00 51.42 H new ATOM 0 HE1 MET A 21 15.655 0.174 2.781 1.00 34.41 H new ATOM 0 HE2 MET A 21 15.659 -0.281 1.061 1.00 34.41 H new ATOM 0 HE3 MET A 21 16.146 -1.467 2.295 1.00 34.41 H new ATOM 520 N GLY A 22 22.321 -3.551 0.431 1.00 11.42 N ATOM 521 CA GLY A 22 23.481 -4.238 0.982 1.00 24.52 C ATOM 522 C GLY A 22 23.122 -5.089 2.188 1.00 42.12 C ATOM 523 O GLY A 22 23.919 -5.228 3.116 1.00 14.01 O ATOM 0 H GLY A 22 21.710 -4.138 -0.137 1.00 11.42 H new ATOM 0 HA2 GLY A 22 23.927 -4.869 0.213 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.234 -3.504 1.268 1.00 24.52 H new ATOM 527 N VAL A 23 21.910 -5.646 2.174 1.00 74.24 N ATOM 528 CA VAL A 23 21.415 -6.475 3.269 1.00 22.24 C ATOM 529 C VAL A 23 22.240 -7.751 3.443 1.00 4.44 C ATOM 530 O VAL A 23 22.652 -8.381 2.467 1.00 54.54 O ATOM 531 CB VAL A 23 19.931 -6.846 3.046 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.412 -7.720 4.174 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.081 -5.589 2.909 1.00 52.34 C ATOM 0 H VAL A 23 21.248 -5.535 1.406 1.00 74.24 H new ATOM 0 HA VAL A 23 21.510 -5.884 4.180 1.00 22.24 H new ATOM 0 HB VAL A 23 19.861 -7.415 2.119 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.366 -7.966 3.992 1.00 63.14 H new ATOM 0 HG12 VAL A 23 19.998 -8.638 4.222 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.499 -7.184 5.119 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.039 -5.869 2.753 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.164 -4.993 3.818 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.431 -5.004 2.058 1.00 52.34 H new ATOM 543 N ASN A 24 22.462 -8.124 4.703 1.00 11.41 N ATOM 544 CA ASN A 24 23.219 -9.320 5.045 1.00 23.14 C ATOM 545 C ASN A 24 22.412 -10.577 4.737 1.00 0.10 C ATOM 546 O ASN A 24 21.182 -10.557 4.769 1.00 72.22 O ATOM 547 CB ASN A 24 23.590 -9.274 6.522 1.00 54.24 C ATOM 548 CG ASN A 24 24.293 -10.524 6.980 1.00 14.23 C ATOM 549 OD1 ASN A 24 23.719 -11.182 7.967 1.00 55.42 O flip ATOM 550 ND2 ASN A 24 25.338 -10.898 6.450 1.00 33.20 N flip ATOM 0 H ASN A 24 22.121 -7.604 5.512 1.00 11.41 H new ATOM 0 HA ASN A 24 24.128 -9.351 4.444 1.00 23.14 H new ATOM 0 HB2 ASN A 24 24.232 -8.412 6.705 1.00 54.24 H new ATOM 0 HB3 ASN A 24 22.687 -9.131 7.116 1.00 54.24 H new ATOM 0 HD21 ASN A 24 25.746 -10.356 5.688 1.00 33.20 H new ATOM 0 HD22 ASN A 24 25.797 -11.750 6.772 1.00 33.20 H new ATOM 557 N ILE A 25 23.116 -11.667 4.436 1.00 54.42 N ATOM 558 CA ILE A 25 22.474 -12.940 4.115 1.00 72.22 C ATOM 559 C ILE A 25 21.376 -13.293 5.123 1.00 12.24 C ATOM 560 O ILE A 25 20.288 -13.711 4.732 1.00 42.11 O ATOM 561 CB ILE A 25 23.506 -14.089 4.050 1.00 13.12 C ATOM 562 CG1 ILE A 25 22.831 -15.398 3.628 1.00 61.22 C ATOM 563 CG2 ILE A 25 24.220 -14.255 5.385 1.00 44.35 C ATOM 564 CD1 ILE A 25 23.807 -16.479 3.216 1.00 52.24 C ATOM 0 H ILE A 25 24.135 -11.693 4.408 1.00 54.42 H new ATOM 0 HA ILE A 25 22.016 -12.819 3.133 1.00 72.22 H new ATOM 0 HB ILE A 25 24.253 -13.832 3.299 1.00 13.12 H new ATOM 0 HG12 ILE A 25 22.222 -15.766 4.454 1.00 61.22 H new ATOM 0 HG13 ILE A 25 22.154 -15.196 2.798 1.00 61.22 H new ATOM 0 HG21 ILE A 25 24.941 -15.070 5.313 1.00 44.35 H new ATOM 0 HG22 ILE A 25 24.740 -13.331 5.637 1.00 44.35 H new ATOM 0 HG23 ILE A 25 23.490 -14.484 6.162 1.00 44.35 H new ATOM 0 HD11 ILE A 25 23.257 -17.376 2.930 1.00 52.24 H new ATOM 0 HD12 ILE A 25 24.399 -16.131 2.369 1.00 52.24 H new ATOM 0 HD13 ILE A 25 24.469 -16.709 4.051 1.00 52.24 H new ATOM 576 N VAL A 26 21.665 -13.112 6.413 1.00 2.11 N ATOM 577 CA VAL A 26 20.693 -13.411 7.470 1.00 13.11 C ATOM 578 C VAL A 26 19.517 -12.434 7.431 1.00 2.32 C ATOM 579 O VAL A 26 18.357 -12.839 7.558 1.00 72.11 O ATOM 580 CB VAL A 26 21.339 -13.380 8.872 1.00 65.13 C ATOM 581 CG1 VAL A 26 20.330 -13.781 9.938 1.00 20.43 C ATOM 582 CG2 VAL A 26 22.561 -14.288 8.921 1.00 61.24 C ATOM 0 H VAL A 26 22.561 -12.761 6.752 1.00 2.11 H new ATOM 0 HA VAL A 26 20.328 -14.420 7.281 1.00 13.11 H new ATOM 0 HB VAL A 26 21.663 -12.359 9.075 1.00 65.13 H new ATOM 0 HG11 VAL A 26 20.806 -13.753 10.918 1.00 20.43 H new ATOM 0 HG12 VAL A 26 19.489 -13.088 9.922 1.00 20.43 H new ATOM 0 HG13 VAL A 26 19.971 -14.791 9.738 1.00 20.43 H new ATOM 0 HG21 VAL A 26 23.001 -14.252 9.917 1.00 61.24 H new ATOM 0 HG22 VAL A 26 22.263 -15.311 8.693 1.00 61.24 H new ATOM 0 HG23 VAL A 26 23.294 -13.951 8.188 1.00 61.24 H new ATOM 592 N LYS A 27 19.821 -11.153 7.232 1.00 23.21 N ATOM 593 CA LYS A 27 18.793 -10.119 7.151 1.00 0.55 C ATOM 594 C LYS A 27 17.881 -10.374 5.954 1.00 35.41 C ATOM 595 O LYS A 27 16.681 -10.098 6.005 1.00 2.44 O ATOM 596 CB LYS A 27 19.437 -8.734 7.034 1.00 75.22 C ATOM 597 CG LYS A 27 20.150 -8.272 8.295 1.00 2.03 C ATOM 598 CD LYS A 27 19.219 -8.247 9.500 1.00 3.04 C ATOM 599 CE LYS A 27 18.419 -6.955 9.566 1.00 63.21 C ATOM 600 NZ LYS A 27 19.225 -5.824 10.106 1.00 32.42 N ATOM 0 H LYS A 27 20.774 -10.806 7.124 1.00 23.21 H new ATOM 0 HA LYS A 27 18.196 -10.152 8.063 1.00 0.55 H new ATOM 0 HB2 LYS A 27 20.150 -8.745 6.210 1.00 75.22 H new ATOM 0 HB3 LYS A 27 18.666 -8.007 6.778 1.00 75.22 H new ATOM 0 HG2 LYS A 27 20.990 -8.935 8.500 1.00 2.03 H new ATOM 0 HG3 LYS A 27 20.562 -7.276 8.134 1.00 2.03 H new ATOM 0 HD2 LYS A 27 18.537 -9.095 9.450 1.00 3.04 H new ATOM 0 HD3 LYS A 27 19.803 -8.361 10.413 1.00 3.04 H new ATOM 0 HE2 LYS A 27 18.060 -6.700 8.569 1.00 63.21 H new ATOM 0 HE3 LYS A 27 17.540 -7.105 10.193 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 18.641 -4.964 10.134 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 19.547 -6.055 11.068 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 20.050 -5.663 9.494 1.00 32.42 H new ATOM 614 N ARG A 28 18.459 -10.917 4.880 1.00 35.42 N ATOM 615 CA ARG A 28 17.701 -11.229 3.675 1.00 73.41 C ATOM 616 C ARG A 28 16.815 -12.462 3.891 1.00 21.31 C ATOM 617 O ARG A 28 15.847 -12.669 3.161 1.00 20.24 O ATOM 618 CB ARG A 28 18.644 -11.485 2.490 1.00 14.03 C ATOM 619 CG ARG A 28 19.468 -10.278 2.052 1.00 43.03 C ATOM 620 CD ARG A 28 20.306 -10.594 0.818 1.00 43.33 C ATOM 621 NE ARG A 28 19.526 -11.262 -0.229 1.00 51.53 N ATOM 622 CZ ARG A 28 20.061 -11.971 -1.231 1.00 40.33 C ATOM 623 NH1 ARG A 28 21.381 -12.090 -1.342 1.00 72.33 N ATOM 624 NH2 ARG A 28 19.271 -12.557 -2.127 1.00 53.35 N ATOM 0 H ARG A 28 19.451 -11.148 4.824 1.00 35.42 H new ATOM 0 HA ARG A 28 17.069 -10.369 3.452 1.00 73.41 H new ATOM 0 HB2 ARG A 28 19.324 -12.294 2.754 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.053 -11.830 1.642 1.00 14.03 H new ATOM 0 HG2 ARG A 28 18.804 -9.441 1.838 1.00 43.03 H new ATOM 0 HG3 ARG A 28 20.121 -9.966 2.867 1.00 43.03 H new ATOM 0 HD2 ARG A 28 20.727 -9.670 0.421 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.145 -11.229 1.104 1.00 43.33 H new ATOM 0 HE ARG A 28 18.510 -11.181 -0.191 1.00 51.53 H new ATOM 0 HH11 ARG A 28 21.993 -11.640 -0.661 1.00 72.33 H new ATOM 0 HH12 ARG A 28 21.782 -12.632 -2.108 1.00 72.33 H new ATOM 0 HH21 ARG A 28 18.258 -12.466 -2.051 1.00 53.35 H new ATOM 0 HH22 ARG A 28 19.678 -13.097 -2.890 1.00 53.35 H new ATOM 638 N LYS A 29 17.166 -13.286 4.887 1.00 42.34 N ATOM 639 CA LYS A 29 16.422 -14.506 5.188 1.00 71.22 C ATOM 640 C LYS A 29 15.023 -14.219 5.728 1.00 43.34 C ATOM 641 O LYS A 29 14.042 -14.749 5.206 1.00 45.01 O ATOM 642 CB LYS A 29 17.188 -15.372 6.195 1.00 55.42 C ATOM 643 CG LYS A 29 18.497 -15.929 5.659 1.00 13.50 C ATOM 644 CD LYS A 29 18.922 -17.185 6.405 1.00 64.11 C ATOM 645 CE LYS A 29 18.005 -18.360 6.094 1.00 44.41 C ATOM 646 NZ LYS A 29 17.147 -18.731 7.255 1.00 25.21 N ATOM 0 H LYS A 29 17.966 -13.124 5.499 1.00 42.34 H new ATOM 0 HA LYS A 29 16.313 -15.043 4.246 1.00 71.22 H new ATOM 0 HB2 LYS A 29 17.395 -14.779 7.086 1.00 55.42 H new ATOM 0 HB3 LYS A 29 16.551 -16.201 6.504 1.00 55.42 H new ATOM 0 HG2 LYS A 29 18.389 -16.155 4.598 1.00 13.50 H new ATOM 0 HG3 LYS A 29 19.277 -15.173 5.746 1.00 13.50 H new ATOM 0 HD2 LYS A 29 19.946 -17.441 6.134 1.00 64.11 H new ATOM 0 HD3 LYS A 29 18.915 -16.991 7.478 1.00 64.11 H new ATOM 0 HE2 LYS A 29 17.372 -18.109 5.243 1.00 44.41 H new ATOM 0 HE3 LYS A 29 18.607 -19.220 5.800 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 16.257 -19.144 6.911 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 17.645 -19.426 7.847 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 16.940 -17.882 7.819 1.00 25.21 H new ATOM 660 N LEU A 30 14.918 -13.405 6.782 1.00 0.04 N ATOM 661 CA LEU A 30 13.597 -13.121 7.357 1.00 2.32 C ATOM 662 C LEU A 30 12.799 -12.103 6.549 1.00 0.13 C ATOM 663 O LEU A 30 11.582 -12.235 6.420 1.00 63.51 O ATOM 664 CB LEU A 30 13.657 -12.681 8.811 1.00 20.41 C ATOM 665 CG LEU A 30 14.913 -11.966 9.271 1.00 54.54 C ATOM 666 CD1 LEU A 30 15.041 -10.636 8.562 1.00 34.44 C ATOM 667 CD2 LEU A 30 14.843 -11.776 10.769 1.00 24.21 C ATOM 0 H LEU A 30 15.702 -12.944 7.243 1.00 0.04 H new ATOM 0 HA LEU A 30 13.076 -14.077 7.313 1.00 2.32 H new ATOM 0 HB2 LEU A 30 12.807 -12.025 9.000 1.00 20.41 H new ATOM 0 HB3 LEU A 30 13.523 -13.564 9.436 1.00 20.41 H new ATOM 0 HG LEU A 30 15.793 -12.561 9.027 1.00 54.54 H new ATOM 0 HD11 LEU A 30 15.946 -10.130 8.899 1.00 34.44 H new ATOM 0 HD12 LEU A 30 15.097 -10.801 7.486 1.00 34.44 H new ATOM 0 HD13 LEU A 30 14.173 -10.017 8.790 1.00 34.44 H new ATOM 0 HD21 LEU A 30 15.741 -11.263 11.113 1.00 24.21 H new ATOM 0 HD22 LEU A 30 13.966 -11.180 11.020 1.00 24.21 H new ATOM 0 HD23 LEU A 30 14.772 -12.748 11.256 1.00 24.21 H new ATOM 679 N ALA A 31 13.472 -11.094 6.000 1.00 13.00 N ATOM 680 CA ALA A 31 12.788 -10.074 5.204 1.00 53.21 C ATOM 681 C ALA A 31 12.211 -10.670 3.915 1.00 45.35 C ATOM 682 O ALA A 31 11.363 -10.054 3.265 1.00 64.14 O ATOM 683 CB ALA A 31 13.734 -8.926 4.882 1.00 32.31 C ATOM 0 H ALA A 31 14.479 -10.960 6.089 1.00 13.00 H new ATOM 0 HA ALA A 31 11.958 -9.688 5.796 1.00 53.21 H new ATOM 0 HB1 ALA A 31 13.209 -8.177 4.290 1.00 32.31 H new ATOM 0 HB2 ALA A 31 14.086 -8.474 5.809 1.00 32.31 H new ATOM 0 HB3 ALA A 31 14.586 -9.304 4.316 1.00 32.31 H new ATOM 689 N ALA A 32 12.668 -11.877 3.560 1.00 21.43 N ATOM 690 CA ALA A 32 12.192 -12.567 2.359 1.00 31.20 C ATOM 691 C ALA A 32 11.107 -13.593 2.704 1.00 72.33 C ATOM 692 O ALA A 32 10.212 -13.854 1.901 1.00 61.14 O ATOM 693 CB ALA A 32 13.352 -13.241 1.642 1.00 2.52 C ATOM 0 H ALA A 32 13.368 -12.395 4.090 1.00 21.43 H new ATOM 0 HA ALA A 32 11.752 -11.824 1.694 1.00 31.20 H new ATOM 0 HB1 ALA A 32 12.983 -13.750 0.751 1.00 2.52 H new ATOM 0 HB2 ALA A 32 14.087 -12.490 1.353 1.00 2.52 H new ATOM 0 HB3 ALA A 32 13.819 -13.967 2.308 1.00 2.52 H new ATOM 699 N HIS A 33 11.190 -14.155 3.911 1.00 43.24 N ATOM 700 CA HIS A 33 10.218 -15.136 4.390 1.00 1.23 C ATOM 701 C HIS A 33 9.529 -14.595 5.643 1.00 61.14 C ATOM 702 O HIS A 33 9.335 -15.311 6.628 1.00 14.32 O ATOM 703 CB HIS A 33 10.909 -16.469 4.702 1.00 41.43 C ATOM 704 CG HIS A 33 11.692 -17.036 3.555 1.00 14.22 C ATOM 705 ND1 HIS A 33 12.947 -16.769 3.113 1.00 52.35 N flip ATOM 706 CD2 HIS A 33 11.197 -18.014 2.718 1.00 0.13 C flip ATOM 707 CE1 HIS A 33 13.179 -17.585 2.032 1.00 13.42 C flip ATOM 708 NE2 HIS A 33 12.108 -18.326 1.816 1.00 43.33 N flip ATOM 0 H HIS A 33 11.930 -13.943 4.581 1.00 43.24 H new ATOM 0 HA HIS A 33 9.474 -15.310 3.612 1.00 1.23 H new ATOM 0 HB2 HIS A 33 11.578 -16.329 5.551 1.00 41.43 H new ATOM 0 HB3 HIS A 33 10.155 -17.194 5.007 1.00 41.43 H new ATOM 0 HD1 HIS A 33 13.597 -16.090 3.509 1.00 52.35 H new ATOM 0 HD2 HIS A 33 10.214 -18.457 2.790 1.00 0.13 H new ATOM 0 HE1 HIS A 33 14.090 -17.615 1.453 1.00 13.42 H new ATOM 716 N ASP A 34 9.195 -13.306 5.601 1.00 42.54 N ATOM 717 CA ASP A 34 8.566 -12.620 6.718 1.00 52.21 C ATOM 718 C ASP A 34 7.080 -12.975 6.854 1.00 21.13 C ATOM 719 O ASP A 34 6.523 -12.891 7.949 1.00 71.41 O ATOM 720 CB ASP A 34 8.761 -11.106 6.542 1.00 1.33 C ATOM 721 CG ASP A 34 7.530 -10.403 5.992 1.00 71.54 C ATOM 722 OD1 ASP A 34 7.314 -10.464 4.763 1.00 32.42 O ATOM 723 OD2 ASP A 34 6.783 -9.797 6.785 1.00 31.20 O ATOM 0 H ASP A 34 9.355 -12.711 4.788 1.00 42.54 H new ATOM 0 HA ASP A 34 9.042 -12.948 7.642 1.00 52.21 H new ATOM 0 HB2 ASP A 34 9.023 -10.666 7.504 1.00 1.33 H new ATOM 0 HB3 ASP A 34 9.602 -10.930 5.871 1.00 1.33 H new ATOM 728 N ASN A 35 6.441 -13.354 5.739 1.00 41.03 N ATOM 729 CA ASN A 35 5.014 -13.703 5.745 1.00 44.03 C ATOM 730 C ASN A 35 4.172 -12.454 5.995 1.00 60.43 C ATOM 731 O ASN A 35 3.317 -12.423 6.885 1.00 3.13 O ATOM 732 CB ASN A 35 4.706 -14.768 6.809 1.00 33.23 C ATOM 733 CG ASN A 35 5.505 -16.042 6.618 1.00 55.54 C ATOM 734 OD1 ASN A 35 5.123 -16.913 5.837 1.00 11.22 O ATOM 735 ND2 ASN A 35 6.616 -16.162 7.337 1.00 5.23 N ATOM 0 H ASN A 35 6.888 -13.427 4.825 1.00 41.03 H new ATOM 0 HA ASN A 35 4.763 -14.118 4.769 1.00 44.03 H new ATOM 0 HB2 ASN A 35 4.916 -14.358 7.797 1.00 33.23 H new ATOM 0 HB3 ASN A 35 3.642 -15.005 6.781 1.00 33.23 H new ATOM 0 HD21 ASN A 35 7.190 -17.001 7.253 1.00 5.23 H new ATOM 0 HD22 ASN A 35 6.895 -15.415 7.973 1.00 5.23 H new ATOM 742 N LEU A 36 4.439 -11.419 5.206 1.00 3.32 N ATOM 743 CA LEU A 36 3.741 -10.147 5.324 1.00 24.14 C ATOM 744 C LEU A 36 2.242 -10.284 5.043 1.00 43.34 C ATOM 745 O LEU A 36 1.831 -10.563 3.913 1.00 74.22 O ATOM 746 CB LEU A 36 4.367 -9.129 4.366 1.00 32.11 C ATOM 747 CG LEU A 36 3.907 -7.684 4.547 1.00 12.43 C ATOM 748 CD1 LEU A 36 4.408 -7.119 5.868 1.00 11.22 C ATOM 749 CD2 LEU A 36 4.387 -6.834 3.380 1.00 62.23 C ATOM 0 H LEU A 36 5.144 -11.439 4.469 1.00 3.32 H new ATOM 0 HA LEU A 36 3.846 -9.802 6.353 1.00 24.14 H new ATOM 0 HB2 LEU A 36 5.450 -9.164 4.484 1.00 32.11 H new ATOM 0 HB3 LEU A 36 4.147 -9.436 3.343 1.00 32.11 H new ATOM 0 HG LEU A 36 2.817 -7.665 4.567 1.00 12.43 H new ATOM 0 HD11 LEU A 36 4.068 -6.089 5.975 1.00 11.22 H new ATOM 0 HD12 LEU A 36 4.018 -7.717 6.691 1.00 11.22 H new ATOM 0 HD13 LEU A 36 5.498 -7.145 5.885 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.054 -5.805 3.518 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.476 -6.860 3.334 1.00 62.23 H new ATOM 0 HD23 LEU A 36 3.975 -7.227 2.450 1.00 62.23 H new ATOM 761 N LYS A 37 1.434 -10.060 6.081 1.00 71.12 N ATOM 762 CA LYS A 37 -0.024 -10.123 5.958 1.00 60.54 C ATOM 763 C LYS A 37 -0.590 -8.706 5.967 1.00 24.21 C ATOM 764 O LYS A 37 -0.351 -7.949 6.909 1.00 3.53 O ATOM 765 CB LYS A 37 -0.634 -10.947 7.095 1.00 11.53 C ATOM 766 CG LYS A 37 -1.805 -11.812 6.655 1.00 13.02 C ATOM 767 CD LYS A 37 -2.385 -12.601 7.818 1.00 72.43 C ATOM 768 CE LYS A 37 -3.805 -13.065 7.528 1.00 71.34 C ATOM 769 NZ LYS A 37 -3.913 -14.550 7.508 1.00 32.13 N ATOM 0 H LYS A 37 1.766 -9.833 7.018 1.00 71.12 H new ATOM 0 HA LYS A 37 -0.279 -10.612 5.018 1.00 60.54 H new ATOM 0 HB2 LYS A 37 0.138 -11.585 7.525 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -0.967 -10.273 7.884 1.00 11.53 H new ATOM 0 HG2 LYS A 37 -2.580 -11.182 6.219 1.00 13.02 H new ATOM 0 HG3 LYS A 37 -1.478 -12.500 5.875 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -1.754 -13.466 8.022 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -2.380 -11.983 8.716 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -4.479 -12.663 8.284 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -4.128 -12.665 6.567 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -4.876 -14.832 7.781 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -3.708 -14.900 6.550 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -3.230 -14.957 8.179 1.00 32.13 H new ATOM 783 N LEU A 38 -1.303 -8.334 4.904 1.00 53.05 N ATOM 784 CA LEU A 38 -1.853 -6.984 4.786 1.00 55.31 C ATOM 785 C LEU A 38 -3.378 -6.939 4.887 1.00 42.42 C ATOM 786 O LEU A 38 -4.084 -7.773 4.317 1.00 35.15 O ATOM 787 CB LEU A 38 -1.421 -6.369 3.453 1.00 51.31 C ATOM 788 CG LEU A 38 -0.093 -5.611 3.479 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.036 -6.518 3.935 1.00 13.53 C ATOM 790 CD2 LEU A 38 0.212 -5.027 2.108 1.00 32.41 C ATOM 0 H LEU A 38 -1.513 -8.946 4.115 1.00 53.05 H new ATOM 0 HA LEU A 38 -1.459 -6.413 5.627 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -1.351 -7.165 2.711 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -2.202 -5.687 3.117 1.00 51.31 H new ATOM 0 HG LEU A 38 -0.181 -4.792 4.193 1.00 54.31 H new ATOM 0 HD11 LEU A 38 1.971 -5.958 3.946 1.00 13.53 H new ATOM 0 HD12 LEU A 38 0.823 -6.888 4.938 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.126 -7.360 3.249 1.00 13.53 H new ATOM 0 HD21 LEU A 38 1.160 -4.491 2.144 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.278 -5.832 1.376 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.583 -4.339 1.820 1.00 32.41 H new ATOM 802 N THR A 39 -3.862 -5.916 5.587 1.00 4.12 N ATOM 803 CA THR A 39 -5.293 -5.664 5.759 1.00 34.14 C ATOM 804 C THR A 39 -5.561 -4.203 5.439 1.00 60.12 C ATOM 805 O THR A 39 -5.004 -3.305 6.074 1.00 0.32 O ATOM 806 CB THR A 39 -5.743 -5.993 7.184 1.00 24.24 C ATOM 807 OG1 THR A 39 -5.199 -7.232 7.615 1.00 60.24 O ATOM 808 CG2 THR A 39 -7.248 -6.077 7.330 1.00 13.24 C ATOM 0 H THR A 39 -3.268 -5.232 6.055 1.00 4.12 H new ATOM 0 HA THR A 39 -5.860 -6.306 5.085 1.00 34.14 H new ATOM 0 HB THR A 39 -5.377 -5.170 7.798 1.00 24.24 H new ATOM 0 HG1 THR A 39 -5.499 -7.421 8.529 1.00 60.24 H new ATOM 0 HG21 THR A 39 -7.501 -6.313 8.364 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.694 -5.121 7.057 1.00 13.24 H new ATOM 0 HG23 THR A 39 -7.634 -6.858 6.675 1.00 13.24 H new ATOM 816 N ILE A 40 -6.374 -3.976 4.421 1.00 63.45 N ATOM 817 CA ILE A 40 -6.673 -2.628 3.969 1.00 32.40 C ATOM 818 C ILE A 40 -8.022 -2.115 4.479 1.00 3.04 C ATOM 819 O ILE A 40 -9.051 -2.778 4.326 1.00 63.13 O ATOM 820 CB ILE A 40 -6.669 -2.565 2.428 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.614 -3.508 1.829 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.441 -1.142 1.954 1.00 45.13 C ATOM 823 CD1 ILE A 40 -4.206 -2.956 1.859 1.00 40.54 C ATOM 0 H ILE A 40 -6.840 -4.711 3.890 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.893 -1.988 4.381 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.647 -2.897 2.080 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.635 -4.452 2.374 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.884 -3.730 0.797 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.441 -1.117 0.864 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.237 -0.501 2.332 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.480 -0.784 2.325 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.522 -3.681 1.419 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -4.167 -2.028 1.289 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.913 -2.761 2.891 1.00 40.54 H new ATOM 835 N THR A 41 -8.000 -0.916 5.066 1.00 54.24 N ATOM 836 CA THR A 41 -9.206 -0.269 5.584 1.00 51.53 C ATOM 837 C THR A 41 -9.059 1.257 5.502 1.00 13.25 C ATOM 838 O THR A 41 -8.090 1.815 6.025 1.00 34.23 O ATOM 839 CB THR A 41 -9.469 -0.694 7.034 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.254 -0.897 7.740 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.281 -1.966 7.148 1.00 35.25 C ATOM 0 H THR A 41 -7.149 -0.369 5.195 1.00 54.24 H new ATOM 0 HA THR A 41 -10.054 -0.580 4.974 1.00 51.53 H new ATOM 0 HB THR A 41 -10.040 0.127 7.468 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.580 -0.260 7.422 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.430 -2.209 8.200 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.249 -1.824 6.668 1.00 35.25 H new ATOM 0 HG23 THR A 41 -9.749 -2.782 6.659 1.00 35.25 H new ATOM 849 N GLN A 42 -10.001 1.928 4.828 1.00 12.40 N ATOM 850 CA GLN A 42 -9.940 3.388 4.665 1.00 11.23 C ATOM 851 C GLN A 42 -11.260 4.071 5.007 1.00 64.22 C ATOM 852 O GLN A 42 -12.340 3.502 4.827 1.00 53.05 O ATOM 853 CB GLN A 42 -9.569 3.723 3.217 1.00 71.12 C ATOM 854 CG GLN A 42 -9.336 5.206 2.924 1.00 31.40 C ATOM 855 CD GLN A 42 -10.006 5.637 1.633 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.227 5.781 1.573 1.00 22.20 O ATOM 857 NE2 GLN A 42 -9.208 5.839 0.587 1.00 60.41 N ATOM 0 H GLN A 42 -10.810 1.488 4.389 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.185 3.759 5.358 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -8.666 3.172 2.955 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.363 3.362 2.564 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -9.720 5.804 3.750 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.265 5.400 2.860 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -8.201 5.708 0.681 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -9.604 6.125 -0.309 1.00 60.41 H new ATOM 866 N GLU A 43 -11.148 5.317 5.463 1.00 44.32 N ATOM 867 CA GLU A 43 -12.302 6.137 5.799 1.00 55.23 C ATOM 868 C GLU A 43 -12.038 7.571 5.361 1.00 62.13 C ATOM 869 O GLU A 43 -11.738 8.449 6.176 1.00 44.33 O ATOM 870 CB GLU A 43 -12.582 6.082 7.293 1.00 52.44 C ATOM 871 CG GLU A 43 -13.492 4.935 7.702 1.00 11.51 C ATOM 872 CD GLU A 43 -14.882 5.051 7.101 1.00 4.24 C ATOM 873 OE1 GLU A 43 -15.042 4.730 5.902 1.00 11.50 O ATOM 874 OE2 GLU A 43 -15.810 5.460 7.829 1.00 12.14 O ATOM 0 H GLU A 43 -10.253 5.783 5.609 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.180 5.753 5.279 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -11.636 5.993 7.828 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -13.036 7.023 7.604 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -13.043 3.991 7.392 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -13.571 4.908 8.789 1.00 11.51 H new ATOM 881 N GLY A 44 -12.135 7.784 4.058 1.00 54.53 N ATOM 882 CA GLY A 44 -11.889 9.096 3.485 1.00 74.33 C ATOM 883 C GLY A 44 -10.542 9.199 2.817 1.00 73.43 C ATOM 884 O GLY A 44 -10.203 8.403 1.944 1.00 0.12 O ATOM 0 H GLY A 44 -12.382 7.065 3.378 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -12.668 9.321 2.757 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -11.959 9.849 4.270 1.00 74.33 H new ATOM 888 N ASN A 45 -9.776 10.178 3.246 1.00 43.43 N ATOM 889 CA ASN A 45 -8.442 10.412 2.720 1.00 4.35 C ATOM 890 C ASN A 45 -7.402 9.909 3.718 1.00 15.04 C ATOM 891 O ASN A 45 -6.217 10.231 3.623 1.00 13.00 O ATOM 892 CB ASN A 45 -8.266 11.907 2.429 1.00 51.14 C ATOM 893 CG ASN A 45 -7.384 12.624 3.443 1.00 52.31 C ATOM 894 OD1 ASN A 45 -7.671 12.622 4.641 1.00 72.44 O ATOM 895 ND2 ASN A 45 -6.303 13.235 2.970 1.00 42.33 N ATOM 0 H ASN A 45 -10.058 10.838 3.971 1.00 43.43 H new ATOM 0 HA ASN A 45 -8.304 9.865 1.787 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -7.835 12.027 1.435 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -9.246 12.383 2.411 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -5.675 13.726 3.606 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -6.101 13.213 1.970 1.00 42.33 H new ATOM 902 N LYS A 46 -7.866 9.095 4.666 1.00 21.13 N ATOM 903 CA LYS A 46 -7.005 8.526 5.683 1.00 43.55 C ATOM 904 C LYS A 46 -7.100 7.014 5.621 1.00 42.34 C ATOM 905 O LYS A 46 -8.187 6.441 5.725 1.00 1.03 O ATOM 906 CB LYS A 46 -7.393 9.052 7.067 1.00 0.23 C ATOM 907 CG LYS A 46 -6.844 8.229 8.225 1.00 40.04 C ATOM 908 CD LYS A 46 -7.145 8.876 9.571 1.00 20.10 C ATOM 909 CE LYS A 46 -8.637 9.130 9.764 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.441 7.876 9.683 1.00 33.42 N ATOM 0 H LYS A 46 -8.844 8.817 4.744 1.00 21.13 H new ATOM 0 HA LYS A 46 -5.972 8.822 5.500 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -7.039 10.078 7.166 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -8.480 9.081 7.140 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -7.277 7.229 8.197 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -5.766 8.113 8.110 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -6.781 8.233 10.372 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -6.604 9.819 9.649 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -8.800 9.602 10.733 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -8.985 9.831 9.006 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -10.429 8.080 9.937 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -9.403 7.501 8.714 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -9.053 7.171 10.342 1.00 33.42 H new ATOM 924 N PHE A 47 -5.962 6.379 5.412 1.00 54.12 N ATOM 925 CA PHE A 47 -5.913 4.937 5.291 1.00 23.11 C ATOM 926 C PHE A 47 -5.147 4.302 6.432 1.00 33.44 C ATOM 927 O PHE A 47 -4.133 4.831 6.890 1.00 43.04 O ATOM 928 CB PHE A 47 -5.267 4.569 3.966 1.00 1.40 C ATOM 929 CG PHE A 47 -6.045 3.578 3.165 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.375 2.348 3.699 1.00 71.12 C ATOM 931 CD2 PHE A 47 -6.453 3.882 1.876 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.100 1.436 2.961 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.177 2.973 1.131 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.502 1.747 1.675 1.00 72.21 C ATOM 0 H PHE A 47 -5.058 6.842 5.323 1.00 54.12 H new ATOM 0 HA PHE A 47 -6.934 4.557 5.331 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -5.134 5.475 3.374 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.273 4.165 4.158 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.063 2.098 4.702 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -6.201 4.842 1.449 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.354 0.477 3.388 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -7.488 3.220 0.127 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.069 1.032 1.098 1.00 72.21 H new ATOM 944 N THR A 48 -5.633 3.149 6.864 1.00 41.33 N ATOM 945 CA THR A 48 -4.995 2.405 7.935 1.00 22.53 C ATOM 946 C THR A 48 -4.859 0.946 7.541 1.00 32.44 C ATOM 947 O THR A 48 -5.853 0.260 7.292 1.00 34.13 O ATOM 948 CB THR A 48 -5.769 2.546 9.251 1.00 32.31 C ATOM 949 OG1 THR A 48 -5.887 3.911 9.617 1.00 52.13 O ATOM 950 CG2 THR A 48 -5.120 1.814 10.412 1.00 42.12 C ATOM 0 H THR A 48 -6.471 2.708 6.486 1.00 41.33 H new ATOM 0 HA THR A 48 -4.000 2.821 8.097 1.00 22.53 H new ATOM 0 HB THR A 48 -6.745 2.099 9.062 1.00 32.31 H new ATOM 0 HG1 THR A 48 -6.385 3.982 10.458 1.00 52.13 H new ATOM 0 HG21 THR A 48 -5.719 1.955 11.312 1.00 42.12 H new ATOM 0 HG22 THR A 48 -5.056 0.751 10.182 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.118 2.210 10.577 1.00 42.12 H new ATOM 958 N VAL A 49 -3.617 0.486 7.467 1.00 51.55 N ATOM 959 CA VAL A 49 -3.331 -0.884 7.080 1.00 11.04 C ATOM 960 C VAL A 49 -2.514 -1.606 8.145 1.00 32.14 C ATOM 961 O VAL A 49 -1.585 -1.039 8.727 1.00 64.22 O ATOM 962 CB VAL A 49 -2.581 -0.933 5.735 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.512 -0.559 4.589 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.363 -0.021 5.752 1.00 12.03 C ATOM 0 H VAL A 49 -2.790 1.047 7.671 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.289 -1.392 6.973 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.234 -1.955 5.581 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -2.964 -0.599 3.647 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.346 -1.260 4.554 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -3.893 0.450 4.744 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.854 -0.076 4.790 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.680 1.006 5.937 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.682 -0.338 6.542 1.00 12.03 H new ATOM 974 N LYS A 50 -2.871 -2.864 8.389 1.00 51.25 N ATOM 975 CA LYS A 50 -2.181 -3.684 9.378 1.00 34.22 C ATOM 976 C LYS A 50 -1.239 -4.669 8.692 1.00 73.11 C ATOM 977 O LYS A 50 -1.653 -5.424 7.808 1.00 25.42 O ATOM 978 CB LYS A 50 -3.196 -4.436 10.247 1.00 34.45 C ATOM 979 CG LYS A 50 -2.636 -4.893 11.585 1.00 53.15 C ATOM 980 CD LYS A 50 -2.651 -3.770 12.612 1.00 3.50 C ATOM 981 CE LYS A 50 -3.441 -4.155 13.855 1.00 13.15 C ATOM 982 NZ LYS A 50 -4.872 -3.748 13.757 1.00 34.21 N ATOM 0 H LYS A 50 -3.638 -3.339 7.912 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.590 -3.029 10.018 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -4.057 -3.791 10.425 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -3.557 -5.306 9.698 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -3.221 -5.734 11.957 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -1.615 -5.250 11.450 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -1.628 -3.521 12.894 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -3.086 -2.875 12.167 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -3.380 -5.233 14.003 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -2.990 -3.687 14.730 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -5.297 -3.743 14.706 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -4.934 -2.795 13.345 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -5.384 -4.421 13.152 1.00 34.21 H new ATOM 996 N GLU A 51 0.028 -4.652 9.102 1.00 41.41 N ATOM 997 CA GLU A 51 1.035 -5.537 8.528 1.00 2.42 C ATOM 998 C GLU A 51 1.704 -6.374 9.607 1.00 40.32 C ATOM 999 O GLU A 51 2.176 -5.841 10.614 1.00 43.43 O ATOM 1000 CB GLU A 51 2.093 -4.727 7.781 1.00 24.43 C ATOM 1001 CG GLU A 51 1.694 -4.372 6.362 1.00 2.05 C ATOM 1002 CD GLU A 51 1.210 -2.943 6.238 1.00 1.34 C ATOM 1003 OE1 GLU A 51 2.047 -2.053 5.984 1.00 43.54 O ATOM 1004 OE2 GLU A 51 -0.006 -2.713 6.400 1.00 61.22 O ATOM 0 H GLU A 51 0.380 -4.033 9.832 1.00 41.41 H new ATOM 0 HA GLU A 51 0.532 -6.205 7.829 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.294 -3.809 8.334 1.00 24.43 H new ATOM 0 HB3 GLU A 51 3.023 -5.294 7.757 1.00 24.43 H new ATOM 0 HG2 GLU A 51 2.546 -4.523 5.700 1.00 2.05 H new ATOM 0 HG3 GLU A 51 0.908 -5.049 6.029 1.00 2.05 H new ATOM 1011 N SER A 52 1.750 -7.684 9.387 1.00 34.51 N ATOM 1012 CA SER A 52 2.372 -8.600 10.335 1.00 24.54 C ATOM 1013 C SER A 52 3.549 -9.319 9.684 1.00 41.21 C ATOM 1014 O SER A 52 3.406 -9.914 8.614 1.00 12.32 O ATOM 1015 CB SER A 52 1.351 -9.618 10.853 1.00 0.53 C ATOM 1016 OG SER A 52 0.352 -9.895 9.883 1.00 74.44 O ATOM 0 H SER A 52 1.363 -8.135 8.558 1.00 34.51 H new ATOM 0 HA SER A 52 2.740 -8.019 11.181 1.00 24.54 H new ATOM 0 HB2 SER A 52 1.862 -10.542 11.124 1.00 0.53 H new ATOM 0 HB3 SER A 52 0.883 -9.235 11.760 1.00 0.53 H new ATOM 0 HG SER A 52 -0.282 -10.549 10.244 1.00 74.44 H new ATOM 1022 N SER A 53 4.714 -9.253 10.329 1.00 31.11 N ATOM 1023 CA SER A 53 5.918 -9.892 9.808 1.00 14.42 C ATOM 1024 C SER A 53 6.450 -10.951 10.775 1.00 73.11 C ATOM 1025 O SER A 53 5.871 -11.189 11.837 1.00 45.21 O ATOM 1026 CB SER A 53 7.003 -8.845 9.535 1.00 24.21 C ATOM 1027 OG SER A 53 6.503 -7.785 8.736 1.00 41.33 O ATOM 0 H SER A 53 4.847 -8.763 11.213 1.00 31.11 H new ATOM 0 HA SER A 53 5.652 -10.386 8.874 1.00 14.42 H new ATOM 0 HB2 SER A 53 7.375 -8.448 10.480 1.00 24.21 H new ATOM 0 HB3 SER A 53 7.848 -9.316 9.032 1.00 24.21 H new ATOM 0 HG SER A 53 6.408 -8.090 7.810 1.00 41.33 H new ATOM 1033 N ALA A 54 7.556 -11.583 10.388 1.00 53.43 N ATOM 1034 CA ALA A 54 8.184 -12.627 11.195 1.00 52.45 C ATOM 1035 C ALA A 54 8.867 -12.072 12.447 1.00 3.21 C ATOM 1036 O ALA A 54 8.963 -12.766 13.461 1.00 22.41 O ATOM 1037 CB ALA A 54 9.196 -13.387 10.352 1.00 53.02 C ATOM 0 H ALA A 54 8.040 -11.388 9.512 1.00 53.43 H new ATOM 0 HA ALA A 54 7.392 -13.297 11.530 1.00 52.45 H new ATOM 0 HB1 ALA A 54 9.662 -14.165 10.957 1.00 53.02 H new ATOM 0 HB2 ALA A 54 8.691 -13.843 9.501 1.00 53.02 H new ATOM 0 HB3 ALA A 54 9.961 -12.698 9.993 1.00 53.02 H new ATOM 1043 N PHE A 55 9.358 -10.830 12.373 1.00 40.31 N ATOM 1044 CA PHE A 55 10.051 -10.220 13.510 1.00 4.13 C ATOM 1045 C PHE A 55 9.238 -9.109 14.190 1.00 13.44 C ATOM 1046 O PHE A 55 9.651 -8.607 15.236 1.00 34.45 O ATOM 1047 CB PHE A 55 11.431 -9.686 13.089 1.00 55.21 C ATOM 1048 CG PHE A 55 11.434 -8.866 11.826 1.00 23.13 C ATOM 1049 CD1 PHE A 55 11.402 -9.481 10.584 1.00 2.34 C ATOM 1050 CD2 PHE A 55 11.485 -7.482 11.883 1.00 11.33 C ATOM 1051 CE1 PHE A 55 11.417 -8.732 9.423 1.00 64.22 C ATOM 1052 CE2 PHE A 55 11.503 -6.728 10.725 1.00 72.12 C ATOM 1053 CZ PHE A 55 11.468 -7.353 9.493 1.00 72.43 C ATOM 0 H PHE A 55 9.289 -10.235 11.548 1.00 40.31 H new ATOM 0 HA PHE A 55 10.179 -11.013 14.246 1.00 4.13 H new ATOM 0 HB2 PHE A 55 11.833 -9.079 13.900 1.00 55.21 H new ATOM 0 HB3 PHE A 55 12.107 -10.531 12.958 1.00 55.21 H new ATOM 0 HD1 PHE A 55 11.365 -10.559 10.523 1.00 2.34 H new ATOM 0 HD2 PHE A 55 11.511 -6.988 12.843 1.00 11.33 H new ATOM 0 HE1 PHE A 55 11.389 -9.224 8.462 1.00 64.22 H new ATOM 0 HE2 PHE A 55 11.544 -5.650 10.783 1.00 72.12 H new ATOM 0 HZ PHE A 55 11.480 -6.765 8.587 1.00 72.43 H new ATOM 1063 N ARG A 56 8.086 -8.729 13.618 1.00 34.30 N ATOM 1064 CA ARG A 56 7.250 -7.680 14.217 1.00 13.05 C ATOM 1065 C ARG A 56 5.973 -7.426 13.408 1.00 72.24 C ATOM 1066 O ARG A 56 5.886 -7.778 12.232 1.00 13.31 O ATOM 1067 CB ARG A 56 8.040 -6.372 14.360 1.00 13.22 C ATOM 1068 CG ARG A 56 8.274 -5.638 13.048 1.00 32.30 C ATOM 1069 CD ARG A 56 8.348 -4.134 13.262 1.00 24.50 C ATOM 1070 NE ARG A 56 8.182 -3.387 12.016 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.903 -2.082 11.961 1.00 71.23 C ATOM 1072 NH1 ARG A 56 7.726 -1.384 13.080 1.00 1.03 N ATOM 1073 NH2 ARG A 56 7.798 -1.476 10.783 1.00 24.10 N ATOM 0 H ARG A 56 7.716 -9.126 12.754 1.00 34.30 H new ATOM 0 HA ARG A 56 6.956 -8.036 15.204 1.00 13.05 H new ATOM 0 HB2 ARG A 56 7.506 -5.711 15.043 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.005 -6.591 14.818 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.200 -5.989 12.593 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.469 -5.869 12.351 1.00 32.30 H new ATOM 0 HD2 ARG A 56 7.576 -3.832 13.970 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.309 -3.880 13.710 1.00 24.50 H new ATOM 0 HE ARG A 56 8.285 -3.893 11.136 1.00 53.23 H new ATOM 0 HH11 ARG A 56 7.803 -1.845 13.986 1.00 1.03 H new ATOM 0 HH12 ARG A 56 7.513 -0.388 13.031 1.00 1.03 H new ATOM 0 HH21 ARG A 56 7.930 -2.007 9.923 1.00 24.10 H new ATOM 0 HH22 ARG A 56 7.585 -0.479 10.739 1.00 24.10 H new ATOM 1087 N ASN A 57 4.991 -6.799 14.059 1.00 31.42 N ATOM 1088 CA ASN A 57 3.711 -6.471 13.427 1.00 54.41 C ATOM 1089 C ASN A 57 3.159 -5.165 14.003 1.00 74.24 C ATOM 1090 O ASN A 57 3.055 -5.020 15.222 1.00 24.15 O ATOM 1091 CB ASN A 57 2.703 -7.612 13.628 1.00 24.20 C ATOM 1092 CG ASN A 57 2.361 -7.864 15.090 1.00 73.23 C ATOM 1093 OD1 ASN A 57 3.235 -7.855 15.959 1.00 51.04 O ATOM 1094 ND2 ASN A 57 1.082 -8.095 15.368 1.00 62.42 N ATOM 0 H ASN A 57 5.059 -6.506 15.034 1.00 31.42 H new ATOM 0 HA ASN A 57 3.874 -6.342 12.357 1.00 54.41 H new ATOM 0 HB2 ASN A 57 1.788 -7.379 13.083 1.00 24.20 H new ATOM 0 HB3 ASN A 57 3.108 -8.526 13.194 1.00 24.20 H new ATOM 0 HD21 ASN A 57 0.793 -8.273 16.330 1.00 62.42 H new ATOM 0 HD22 ASN A 57 0.389 -8.094 14.619 1.00 62.42 H new ATOM 1101 N ILE A 58 2.821 -4.208 13.132 1.00 25.12 N ATOM 1102 CA ILE A 58 2.298 -2.914 13.585 1.00 3.13 C ATOM 1103 C ILE A 58 1.193 -2.377 12.669 1.00 64.23 C ATOM 1104 O ILE A 58 0.958 -2.904 11.577 1.00 22.31 O ATOM 1105 CB ILE A 58 3.420 -1.848 13.692 1.00 20.51 C ATOM 1106 CG1 ILE A 58 4.006 -1.522 12.311 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.516 -2.318 14.636 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.636 -0.145 12.230 1.00 21.30 C ATOM 0 H ILE A 58 2.899 -4.303 12.119 1.00 25.12 H new ATOM 0 HA ILE A 58 1.875 -3.098 14.573 1.00 3.13 H new ATOM 0 HB ILE A 58 2.979 -0.937 14.096 1.00 20.51 H new ATOM 0 HG12 ILE A 58 4.756 -2.271 12.057 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.216 -1.596 11.563 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.294 -1.557 14.698 1.00 75.41 H new ATOM 0 HG22 ILE A 58 4.095 -2.488 15.627 1.00 75.41 H new ATOM 0 HG23 ILE A 58 4.946 -3.247 14.261 1.00 75.41 H new ATOM 0 HD11 ILE A 58 5.029 0.017 11.226 1.00 21.30 H new ATOM 0 HD12 ILE A 58 3.884 0.613 12.452 1.00 21.30 H new ATOM 0 HD13 ILE A 58 5.448 -0.073 12.954 1.00 21.30 H new ATOM 1120 N GLU A 59 0.532 -1.310 13.129 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.540 -0.658 12.378 1.00 12.40 C ATOM 1122 C GLU A 59 -0.113 0.757 11.991 1.00 51.03 C ATOM 1123 O GLU A 59 0.323 1.531 12.847 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.819 -0.603 13.220 1.00 32.22 C ATOM 1125 CG GLU A 59 -3.010 -0.008 12.485 1.00 25.31 C ATOM 1126 CD GLU A 59 -4.332 -0.321 13.158 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -4.618 0.274 14.217 1.00 51.24 O ATOM 1128 OE2 GLU A 59 -5.083 -1.165 12.625 1.00 33.42 O ATOM 0 H GLU A 59 0.726 -0.876 14.031 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.739 -1.234 11.474 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.072 -1.612 13.547 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.627 -0.016 14.118 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -2.888 1.073 12.420 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -3.028 -0.389 11.464 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.227 1.092 10.705 1.00 43.31 N ATOM 1136 CA VAL A 60 0.166 2.420 10.232 1.00 60.32 C ATOM 1137 C VAL A 60 -0.995 3.144 9.553 1.00 25.40 C ATOM 1138 O VAL A 60 -1.804 2.529 8.853 1.00 41.11 O ATOM 1139 CB VAL A 60 1.365 2.343 9.257 1.00 33.43 C ATOM 1140 CG1 VAL A 60 1.651 3.704 8.635 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.600 1.814 9.973 1.00 22.33 C ATOM 0 H VAL A 60 -0.584 0.470 9.980 1.00 43.31 H new ATOM 0 HA VAL A 60 0.464 2.987 11.114 1.00 60.32 H new ATOM 0 HB VAL A 60 1.105 1.652 8.455 1.00 33.43 H new ATOM 0 HG11 VAL A 60 2.498 3.622 7.954 1.00 11.33 H new ATOM 0 HG12 VAL A 60 0.774 4.044 8.084 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.886 4.421 9.421 1.00 11.33 H new ATOM 0 HG21 VAL A 60 3.434 1.766 9.273 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.856 2.480 10.797 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.396 0.817 10.362 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.054 4.461 9.762 1.00 51.31 N ATOM 1152 CA VAL A 61 -2.094 5.301 9.177 1.00 14.14 C ATOM 1153 C VAL A 61 -1.477 6.427 8.345 1.00 23.40 C ATOM 1154 O VAL A 61 -0.460 7.009 8.731 1.00 4.12 O ATOM 1155 CB VAL A 61 -3.013 5.911 10.261 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -2.220 6.790 11.221 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -4.149 6.700 9.622 1.00 63.33 C ATOM 0 H VAL A 61 -0.385 4.970 10.339 1.00 51.31 H new ATOM 0 HA VAL A 61 -2.696 4.661 8.533 1.00 14.14 H new ATOM 0 HB VAL A 61 -3.445 5.091 10.835 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -2.891 7.206 11.972 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -1.452 6.192 11.712 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -1.749 7.602 10.666 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -4.784 7.121 10.402 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -3.736 7.506 9.016 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -4.741 6.038 8.990 1.00 63.33 H new ATOM 1167 N PHE A 62 -2.097 6.726 7.203 1.00 52.13 N ATOM 1168 CA PHE A 62 -1.615 7.778 6.314 1.00 12.54 C ATOM 1169 C PHE A 62 -2.772 8.661 5.835 1.00 3.10 C ATOM 1170 O PHE A 62 -3.942 8.308 5.992 1.00 42.14 O ATOM 1171 CB PHE A 62 -0.882 7.158 5.111 1.00 24.43 C ATOM 1172 CG PHE A 62 -1.612 7.309 3.801 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -2.773 6.594 3.553 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -1.144 8.176 2.828 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -3.452 6.742 2.358 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -1.818 8.325 1.633 1.00 5.22 C ATOM 1177 CZ PHE A 62 -2.972 7.607 1.398 1.00 2.24 C ATOM 0 H PHE A 62 -2.937 6.251 6.873 1.00 52.13 H new ATOM 0 HA PHE A 62 -0.917 8.405 6.869 1.00 12.54 H new ATOM 0 HB2 PHE A 62 0.102 7.619 5.022 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -0.721 6.098 5.305 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.151 5.914 4.302 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -0.242 8.742 3.006 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.357 6.181 2.177 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -1.442 9.004 0.882 1.00 5.22 H new ATOM 0 HZ PHE A 62 -3.499 7.722 0.462 1.00 2.24 H new ATOM 1187 N GLU A 63 -2.427 9.797 5.231 1.00 63.42 N ATOM 1188 CA GLU A 63 -3.418 10.727 4.704 1.00 3.42 C ATOM 1189 C GLU A 63 -2.968 11.261 3.349 1.00 41.15 C ATOM 1190 O GLU A 63 -1.821 11.690 3.199 1.00 14.31 O ATOM 1191 CB GLU A 63 -3.642 11.884 5.677 1.00 15.30 C ATOM 1192 CG GLU A 63 -5.006 11.856 6.349 1.00 5.21 C ATOM 1193 CD GLU A 63 -4.933 11.478 7.814 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -4.502 10.345 8.112 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -5.309 12.312 8.663 1.00 23.24 O ATOM 0 H GLU A 63 -1.461 10.095 5.095 1.00 63.42 H new ATOM 0 HA GLU A 63 -4.360 10.193 4.580 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -2.868 11.859 6.444 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -3.529 12.826 5.141 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -5.472 12.837 6.255 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -5.648 11.146 5.827 1.00 5.21 H new ATOM 1202 N LEU A 64 -3.866 11.222 2.363 1.00 41.24 N ATOM 1203 CA LEU A 64 -3.545 11.692 1.017 1.00 25.31 C ATOM 1204 C LEU A 64 -3.114 13.157 1.026 1.00 64.21 C ATOM 1205 O LEU A 64 -3.934 14.058 1.212 1.00 75.33 O ATOM 1206 CB LEU A 64 -4.740 11.516 0.071 1.00 72.43 C ATOM 1207 CG LEU A 64 -4.910 10.121 -0.541 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -6.032 10.127 -1.569 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -3.605 9.658 -1.177 1.00 34.21 C ATOM 0 H LEU A 64 -4.817 10.871 2.472 1.00 41.24 H new ATOM 0 HA LEU A 64 -2.714 11.085 0.657 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -5.650 11.766 0.616 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -4.646 12.238 -0.740 1.00 72.43 H new ATOM 0 HG LEU A 64 -5.173 9.422 0.253 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -6.141 9.130 -1.995 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -6.965 10.420 -1.087 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -5.795 10.836 -2.362 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -3.742 8.666 -1.607 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -3.315 10.357 -1.962 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -2.824 9.620 -0.418 1.00 34.21 H new ATOM 1221 N GLY A 65 -1.822 13.379 0.806 1.00 13.13 N ATOM 1222 CA GLY A 65 -1.284 14.734 0.769 1.00 61.23 C ATOM 1223 C GLY A 65 -0.832 15.263 2.124 1.00 33.40 C ATOM 1224 O GLY A 65 -0.719 16.477 2.303 1.00 31.14 O ATOM 0 H GLY A 65 -1.132 12.644 0.652 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -0.439 14.759 0.081 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -2.043 15.404 0.365 1.00 61.23 H new ATOM 1228 N VAL A 66 -0.572 14.368 3.078 1.00 54.12 N ATOM 1229 CA VAL A 66 -0.128 14.777 4.411 1.00 53.02 C ATOM 1230 C VAL A 66 1.212 14.128 4.764 1.00 43.05 C ATOM 1231 O VAL A 66 1.255 12.972 5.185 1.00 34.55 O ATOM 1232 CB VAL A 66 -1.179 14.420 5.485 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -0.812 15.037 6.828 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -2.565 14.870 5.044 1.00 60.25 C ATOM 0 H VAL A 66 -0.661 13.360 2.953 1.00 54.12 H new ATOM 0 HA VAL A 66 -0.003 15.860 4.393 1.00 53.02 H new ATOM 0 HB VAL A 66 -1.192 13.337 5.605 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -1.567 14.772 7.569 1.00 63.24 H new ATOM 0 HG12 VAL A 66 0.159 14.660 7.148 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -0.765 16.122 6.730 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -3.293 14.611 5.812 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -2.566 15.949 4.893 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -2.829 14.373 4.111 1.00 60.25 H new ATOM 1244 N THR A 67 2.303 14.875 4.582 1.00 22.33 N ATOM 1245 CA THR A 67 3.645 14.365 4.873 1.00 62.25 C ATOM 1246 C THR A 67 3.835 14.088 6.364 1.00 44.54 C ATOM 1247 O THR A 67 3.350 14.839 7.215 1.00 11.02 O ATOM 1248 CB THR A 67 4.720 15.338 4.375 1.00 75.24 C ATOM 1249 OG1 THR A 67 4.467 15.720 3.032 1.00 3.31 O ATOM 1250 CG2 THR A 67 6.124 14.763 4.426 1.00 44.42 C ATOM 0 H THR A 67 2.284 15.834 4.235 1.00 22.33 H new ATOM 0 HA THR A 67 3.752 13.420 4.340 1.00 62.25 H new ATOM 0 HB THR A 67 4.668 16.192 5.050 1.00 75.24 H new ATOM 0 HG1 THR A 67 5.162 16.342 2.732 1.00 3.31 H new ATOM 0 HG21 THR A 67 6.834 15.504 4.060 1.00 44.42 H new ATOM 0 HG22 THR A 67 6.372 14.500 5.454 1.00 44.42 H new ATOM 0 HG23 THR A 67 6.175 13.872 3.801 1.00 44.42 H new ATOM 1258 N PHE A 68 4.550 13.000 6.669 1.00 31.50 N ATOM 1259 CA PHE A 68 4.816 12.618 8.054 1.00 0.00 C ATOM 1260 C PHE A 68 6.220 12.023 8.195 1.00 75.51 C ATOM 1261 O PHE A 68 6.958 11.907 7.212 1.00 12.33 O ATOM 1262 CB PHE A 68 3.753 11.624 8.551 1.00 52.04 C ATOM 1263 CG PHE A 68 4.048 10.184 8.224 1.00 41.54 C ATOM 1264 CD1 PHE A 68 3.904 9.710 6.931 1.00 12.23 C ATOM 1265 CD2 PHE A 68 4.468 9.307 9.212 1.00 20.41 C ATOM 1266 CE1 PHE A 68 4.172 8.390 6.628 1.00 43.01 C ATOM 1267 CE2 PHE A 68 4.738 7.985 8.915 1.00 5.12 C ATOM 1268 CZ PHE A 68 4.590 7.526 7.621 1.00 44.54 C ATOM 0 H PHE A 68 4.953 12.371 5.974 1.00 31.50 H new ATOM 0 HA PHE A 68 4.766 13.515 8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.655 11.726 9.632 1.00 52.04 H new ATOM 0 HB3 PHE A 68 2.790 11.893 8.117 1.00 52.04 H new ATOM 0 HD1 PHE A 68 3.578 10.381 6.150 1.00 12.23 H new ATOM 0 HD2 PHE A 68 4.585 9.661 10.225 1.00 20.41 H new ATOM 0 HE1 PHE A 68 4.055 8.033 5.615 1.00 43.01 H new ATOM 0 HE2 PHE A 68 5.064 7.312 9.694 1.00 5.12 H new ATOM 0 HZ PHE A 68 4.801 6.493 7.386 1.00 44.54 H new ATOM 1278 N ASN A 69 6.580 11.647 9.422 1.00 43.12 N ATOM 1279 CA ASN A 69 7.888 11.064 9.694 1.00 25.13 C ATOM 1280 C ASN A 69 7.760 9.588 10.063 1.00 33.41 C ATOM 1281 O ASN A 69 7.167 9.246 11.090 1.00 42.23 O ATOM 1282 CB ASN A 69 8.584 11.827 10.827 1.00 45.42 C ATOM 1283 CG ASN A 69 9.893 11.181 11.240 1.00 0.14 C ATOM 1284 OD1 ASN A 69 10.968 11.632 10.848 1.00 45.12 O ATOM 1285 ND2 ASN A 69 9.807 10.119 12.037 1.00 22.53 N ATOM 0 H ASN A 69 5.981 11.737 10.243 1.00 43.12 H new ATOM 0 HA ASN A 69 8.489 11.143 8.788 1.00 25.13 H new ATOM 0 HB2 ASN A 69 8.772 12.852 10.509 1.00 45.42 H new ATOM 0 HB3 ASN A 69 7.919 11.878 11.689 1.00 45.42 H new ATOM 0 HD21 ASN A 69 10.655 9.644 12.348 1.00 22.53 H new ATOM 0 HD22 ASN A 69 8.893 9.780 12.337 1.00 22.53 H new ATOM 1292 N TYR A 70 8.334 8.721 9.232 1.00 24.33 N ATOM 1293 CA TYR A 70 8.298 7.283 9.482 1.00 33.55 C ATOM 1294 C TYR A 70 9.651 6.803 10.001 1.00 23.32 C ATOM 1295 O TYR A 70 10.695 7.331 9.610 1.00 71.21 O ATOM 1296 CB TYR A 70 7.917 6.522 8.206 1.00 55.41 C ATOM 1297 CG TYR A 70 7.941 5.016 8.369 1.00 73.43 C ATOM 1298 CD1 TYR A 70 6.935 4.357 9.066 1.00 51.04 C ATOM 1299 CD2 TYR A 70 8.975 4.255 7.834 1.00 40.22 C ATOM 1300 CE1 TYR A 70 6.958 2.984 9.225 1.00 13.53 C ATOM 1301 CE2 TYR A 70 9.005 2.883 7.991 1.00 25.40 C ATOM 1302 CZ TYR A 70 7.995 2.252 8.686 1.00 2.22 C ATOM 1303 OH TYR A 70 8.025 0.885 8.849 1.00 53.12 O ATOM 0 H TYR A 70 8.829 8.989 8.381 1.00 24.33 H new ATOM 0 HA TYR A 70 7.541 7.084 10.240 1.00 33.55 H new ATOM 0 HB2 TYR A 70 6.919 6.830 7.894 1.00 55.41 H new ATOM 0 HB3 TYR A 70 8.602 6.804 7.406 1.00 55.41 H new ATOM 0 HD1 TYR A 70 6.122 4.927 9.490 1.00 51.04 H new ATOM 0 HD2 TYR A 70 9.767 4.745 7.287 1.00 40.22 H new ATOM 0 HE1 TYR A 70 6.168 2.487 9.769 1.00 13.53 H new ATOM 0 HE2 TYR A 70 9.816 2.307 7.571 1.00 25.40 H new ATOM 0 HH TYR A 70 8.821 0.520 8.408 1.00 53.12 H new ATOM 1313 N ASN A 71 9.632 5.801 10.882 1.00 0.22 N ATOM 1314 CA ASN A 71 10.866 5.263 11.445 1.00 4.24 C ATOM 1315 C ASN A 71 11.072 3.814 11.022 1.00 61.42 C ATOM 1316 O ASN A 71 10.110 3.072 10.829 1.00 34.32 O ATOM 1317 CB ASN A 71 10.856 5.369 12.973 1.00 22.50 C ATOM 1318 CG ASN A 71 12.148 5.952 13.519 1.00 0.31 C ATOM 1319 OD1 ASN A 71 12.820 5.336 14.344 1.00 1.51 O ATOM 1320 ND2 ASN A 71 12.505 7.148 13.061 1.00 31.50 N ATOM 0 H ASN A 71 8.781 5.350 11.218 1.00 0.22 H new ATOM 0 HA ASN A 71 11.695 5.856 11.059 1.00 4.24 H new ATOM 0 HB2 ASN A 71 10.018 5.992 13.286 1.00 22.50 H new ATOM 0 HB3 ASN A 71 10.696 4.380 13.403 1.00 22.50 H new ATOM 0 HD21 ASN A 71 13.364 7.586 13.394 1.00 31.50 H new ATOM 0 HD22 ASN A 71 11.920 7.627 12.376 1.00 31.50 H new ATOM 1327 N LEU A 72 12.334 3.422 10.875 1.00 4.10 N ATOM 1328 CA LEU A 72 12.674 2.062 10.468 1.00 63.14 C ATOM 1329 C LEU A 72 12.963 1.179 11.681 1.00 51.42 C ATOM 1330 O LEU A 72 12.990 1.656 12.818 1.00 45.31 O ATOM 1331 CB LEU A 72 13.883 2.080 9.528 1.00 43.25 C ATOM 1332 CG LEU A 72 13.744 3.003 8.315 1.00 71.12 C ATOM 1333 CD1 LEU A 72 15.023 3.006 7.495 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.559 2.583 7.456 1.00 72.12 C ATOM 0 H LEU A 72 13.140 4.028 11.032 1.00 4.10 H new ATOM 0 HA LEU A 72 11.817 1.642 9.941 1.00 63.14 H new ATOM 0 HB2 LEU A 72 14.762 2.382 10.097 1.00 43.25 H new ATOM 0 HB3 LEU A 72 14.065 1.065 9.175 1.00 43.25 H new ATOM 0 HG LEU A 72 13.566 4.016 8.675 1.00 71.12 H new ATOM 0 HD11 LEU A 72 14.904 3.668 6.637 1.00 33.34 H new ATOM 0 HD12 LEU A 72 15.850 3.357 8.112 1.00 33.34 H new ATOM 0 HD13 LEU A 72 15.234 1.995 7.146 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.476 3.251 6.599 1.00 72.12 H new ATOM 0 HD22 LEU A 72 12.707 1.561 7.107 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.644 2.636 8.047 1.00 72.12 H new ATOM 1346 N ALA A 73 13.183 -0.112 11.427 1.00 21.44 N ATOM 1347 CA ALA A 73 13.475 -1.071 12.493 1.00 34.41 C ATOM 1348 C ALA A 73 14.797 -0.750 13.202 1.00 52.04 C ATOM 1349 O ALA A 73 15.033 -1.220 14.317 1.00 12.52 O ATOM 1350 CB ALA A 73 13.504 -2.489 11.934 1.00 51.52 C ATOM 0 H ALA A 73 13.164 -0.518 10.491 1.00 21.44 H new ATOM 0 HA ALA A 73 12.678 -0.994 13.233 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.722 -3.192 12.737 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.535 -2.727 11.496 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.276 -2.562 11.168 1.00 51.52 H new ATOM 1356 N ASP A 74 15.655 0.043 12.552 1.00 74.13 N ATOM 1357 CA ASP A 74 16.950 0.415 13.124 1.00 25.12 C ATOM 1358 C ASP A 74 16.899 1.784 13.811 1.00 64.22 C ATOM 1359 O ASP A 74 17.748 2.089 14.649 1.00 4.40 O ATOM 1360 CB ASP A 74 18.026 0.423 12.035 1.00 60.12 C ATOM 1361 CG ASP A 74 18.003 -0.833 11.186 1.00 61.21 C ATOM 1362 OD1 ASP A 74 18.436 -1.895 11.682 1.00 5.34 O ATOM 1363 OD2 ASP A 74 17.547 -0.755 10.027 1.00 1.00 O ATOM 0 H ASP A 74 15.475 0.439 11.629 1.00 74.13 H new ATOM 0 HA ASP A 74 17.199 -0.330 13.880 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.883 1.293 11.394 1.00 60.12 H new ATOM 0 HB3 ASP A 74 19.007 0.526 12.499 1.00 60.12 H new ATOM 1368 N GLY A 75 15.902 2.604 13.461 1.00 41.01 N ATOM 1369 CA GLY A 75 15.774 3.925 14.064 1.00 0.13 C ATOM 1370 C GLY A 75 15.864 5.071 13.062 1.00 72.32 C ATOM 1371 O GLY A 75 15.742 6.235 13.448 1.00 65.34 O ATOM 0 H GLY A 75 15.184 2.377 12.773 1.00 41.01 H new ATOM 0 HA2 GLY A 75 14.819 3.985 14.585 1.00 0.13 H new ATOM 0 HA3 GLY A 75 16.555 4.049 14.814 1.00 0.13 H new ATOM 1375 N THR A 76 16.069 4.752 11.780 1.00 71.52 N ATOM 1376 CA THR A 76 16.162 5.778 10.742 1.00 14.02 C ATOM 1377 C THR A 76 14.814 6.471 10.556 1.00 24.24 C ATOM 1378 O THR A 76 13.769 5.820 10.556 1.00 72.14 O ATOM 1379 CB THR A 76 16.623 5.166 9.413 1.00 43.14 C ATOM 1380 OG1 THR A 76 17.479 4.055 9.635 1.00 2.34 O ATOM 1381 CG2 THR A 76 17.358 6.148 8.520 1.00 5.13 C ATOM 0 H THR A 76 16.173 3.796 11.440 1.00 71.52 H new ATOM 0 HA THR A 76 16.899 6.516 11.060 1.00 14.02 H new ATOM 0 HB THR A 76 15.707 4.859 8.908 1.00 43.14 H new ATOM 0 HG1 THR A 76 17.835 3.740 8.778 1.00 2.34 H new ATOM 0 HG21 THR A 76 17.655 5.649 7.598 1.00 5.13 H new ATOM 0 HG22 THR A 76 16.702 6.986 8.284 1.00 5.13 H new ATOM 0 HG23 THR A 76 18.245 6.515 9.036 1.00 5.13 H new ATOM 1389 N GLU A 77 14.846 7.791 10.402 1.00 21.10 N ATOM 1390 CA GLU A 77 13.623 8.572 10.222 1.00 65.25 C ATOM 1391 C GLU A 77 13.571 9.195 8.831 1.00 53.33 C ATOM 1392 O GLU A 77 14.424 10.007 8.473 1.00 12.43 O ATOM 1393 CB GLU A 77 13.513 9.664 11.295 1.00 4.23 C ATOM 1394 CG GLU A 77 14.808 10.425 11.548 1.00 42.22 C ATOM 1395 CD GLU A 77 15.703 9.742 12.566 1.00 55.32 C ATOM 1396 OE1 GLU A 77 15.297 9.645 13.743 1.00 73.52 O ATOM 1397 OE2 GLU A 77 16.808 9.302 12.182 1.00 41.12 O ATOM 0 H GLU A 77 15.703 8.343 10.398 1.00 21.10 H new ATOM 0 HA GLU A 77 12.777 7.893 10.326 1.00 65.25 H new ATOM 0 HB2 GLU A 77 12.740 10.373 10.998 1.00 4.23 H new ATOM 0 HB3 GLU A 77 13.185 9.208 12.229 1.00 4.23 H new ATOM 0 HG2 GLU A 77 15.350 10.532 10.609 1.00 42.22 H new ATOM 0 HG3 GLU A 77 14.571 11.430 11.896 1.00 42.22 H new ATOM 1404 N LEU A 78 12.561 8.809 8.052 1.00 44.02 N ATOM 1405 CA LEU A 78 12.395 9.331 6.698 1.00 74.41 C ATOM 1406 C LEU A 78 11.129 10.175 6.595 1.00 65.44 C ATOM 1407 O LEU A 78 10.153 9.946 7.316 1.00 53.24 O ATOM 1408 CB LEU A 78 12.329 8.199 5.658 1.00 53.34 C ATOM 1409 CG LEU A 78 13.170 6.945 5.941 1.00 24.10 C ATOM 1410 CD1 LEU A 78 14.486 7.292 6.626 1.00 43.13 C ATOM 1411 CD2 LEU A 78 12.368 5.951 6.767 1.00 53.31 C ATOM 0 H LEU A 78 11.847 8.138 8.336 1.00 44.02 H new ATOM 0 HA LEU A 78 13.267 9.951 6.487 1.00 74.41 H new ATOM 0 HB2 LEU A 78 11.288 7.893 5.555 1.00 53.34 H new ATOM 0 HB3 LEU A 78 12.639 8.605 4.695 1.00 53.34 H new ATOM 0 HG LEU A 78 13.419 6.483 4.986 1.00 24.10 H new ATOM 0 HD11 LEU A 78 15.052 6.379 6.809 1.00 43.13 H new ATOM 0 HD12 LEU A 78 15.066 7.956 5.985 1.00 43.13 H new ATOM 0 HD13 LEU A 78 14.282 7.789 7.574 1.00 43.13 H new ATOM 0 HD21 LEU A 78 12.974 5.066 6.961 1.00 53.31 H new ATOM 0 HD22 LEU A 78 12.083 6.411 7.713 1.00 53.31 H new ATOM 0 HD23 LEU A 78 11.471 5.663 6.219 1.00 53.31 H new ATOM 1423 N ARG A 79 11.148 11.136 5.677 1.00 45.21 N ATOM 1424 CA ARG A 79 10.008 12.009 5.446 1.00 51.34 C ATOM 1425 C ARG A 79 9.327 11.618 4.141 1.00 35.54 C ATOM 1426 O ARG A 79 9.864 11.863 3.056 1.00 14.43 O ATOM 1427 CB ARG A 79 10.457 13.472 5.392 1.00 45.42 C ATOM 1428 CG ARG A 79 10.099 14.270 6.635 1.00 13.20 C ATOM 1429 CD ARG A 79 10.695 15.669 6.589 1.00 13.10 C ATOM 1430 NE ARG A 79 10.313 16.389 5.372 1.00 40.04 N ATOM 1431 CZ ARG A 79 9.183 17.090 5.234 1.00 14.34 C ATOM 1432 NH1 ARG A 79 8.318 17.189 6.243 1.00 31.25 N ATOM 1433 NH2 ARG A 79 8.920 17.695 4.081 1.00 63.35 N ATOM 0 H ARG A 79 11.950 11.329 5.077 1.00 45.21 H new ATOM 0 HA ARG A 79 9.301 11.899 6.269 1.00 51.34 H new ATOM 0 HB2 ARG A 79 11.537 13.506 5.249 1.00 45.42 H new ATOM 0 HB3 ARG A 79 10.005 13.949 4.523 1.00 45.42 H new ATOM 0 HG2 ARG A 79 9.015 14.338 6.726 1.00 13.20 H new ATOM 0 HG3 ARG A 79 10.461 13.748 7.521 1.00 13.20 H new ATOM 0 HD2 ARG A 79 10.365 16.232 7.462 1.00 13.10 H new ATOM 0 HD3 ARG A 79 11.782 15.602 6.645 1.00 13.10 H new ATOM 0 HE ARG A 79 10.951 16.353 4.577 1.00 40.04 H new ATOM 0 HH11 ARG A 79 8.515 16.728 7.131 1.00 31.25 H new ATOM 0 HH12 ARG A 79 7.459 17.726 6.127 1.00 31.25 H new ATOM 0 HH21 ARG A 79 9.579 17.624 3.306 1.00 63.35 H new ATOM 0 HH22 ARG A 79 8.059 18.231 3.971 1.00 63.35 H new ATOM 1447 N GLY A 80 8.156 10.994 4.248 1.00 20.12 N ATOM 1448 CA GLY A 80 7.440 10.569 3.061 1.00 5.12 C ATOM 1449 C GLY A 80 5.979 10.241 3.325 1.00 23.10 C ATOM 1450 O GLY A 80 5.521 10.287 4.473 1.00 3.42 O ATOM 0 H GLY A 80 7.694 10.777 5.131 1.00 20.12 H new ATOM 0 HA2 GLY A 80 7.498 11.356 2.309 1.00 5.12 H new ATOM 0 HA3 GLY A 80 7.932 9.691 2.643 1.00 5.12 H new ATOM 1454 N THR A 81 5.254 9.902 2.251 1.00 23.20 N ATOM 1455 CA THR A 81 3.825 9.543 2.325 1.00 3.01 C ATOM 1456 C THR A 81 3.281 9.205 0.934 1.00 23.23 C ATOM 1457 O THR A 81 4.052 8.990 -0.005 1.00 65.31 O ATOM 1458 CB THR A 81 2.971 10.668 2.939 1.00 44.13 C ATOM 1459 OG1 THR A 81 3.766 11.760 3.356 1.00 5.01 O ATOM 1460 CG2 THR A 81 2.142 10.207 4.125 1.00 53.55 C ATOM 0 H THR A 81 5.637 9.868 1.306 1.00 23.20 H new ATOM 0 HA THR A 81 3.757 8.670 2.974 1.00 3.01 H new ATOM 0 HB THR A 81 2.297 10.977 2.140 1.00 44.13 H new ATOM 0 HG1 THR A 81 4.307 11.495 4.129 1.00 5.01 H new ATOM 0 HG21 THR A 81 1.563 11.046 4.512 1.00 53.55 H new ATOM 0 HG22 THR A 81 1.465 9.414 3.809 1.00 53.55 H new ATOM 0 HG23 THR A 81 2.802 9.830 4.906 1.00 53.55 H new ATOM 1468 N TRP A 82 1.950 9.163 0.806 1.00 2.44 N ATOM 1469 CA TRP A 82 1.312 8.857 -0.470 1.00 71.44 C ATOM 1470 C TRP A 82 0.394 9.990 -0.921 1.00 1.42 C ATOM 1471 O TRP A 82 -0.152 10.733 -0.100 1.00 12.53 O ATOM 1472 CB TRP A 82 0.529 7.549 -0.371 1.00 1.30 C ATOM 1473 CG TRP A 82 1.396 6.344 -0.526 1.00 33.42 C ATOM 1474 CD1 TRP A 82 2.160 5.760 0.439 1.00 4.21 C ATOM 1475 CD2 TRP A 82 1.602 5.584 -1.721 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.825 4.678 -0.081 1.00 0.34 N ATOM 1477 CE2 TRP A 82 2.499 4.549 -1.404 1.00 33.30 C ATOM 1478 CE3 TRP A 82 1.112 5.675 -3.026 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.918 3.614 -2.345 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 1.529 4.747 -3.958 1.00 51.42 C ATOM 1481 CH2 TRP A 82 2.424 3.728 -3.613 1.00 21.24 C ATOM 0 H TRP A 82 1.299 9.337 1.571 1.00 2.44 H new ATOM 0 HA TRP A 82 2.098 8.746 -1.217 1.00 71.44 H new ATOM 0 HB2 TRP A 82 0.023 7.506 0.594 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -0.245 7.535 -1.138 1.00 1.30 H new ATOM 0 HD1 TRP A 82 2.232 6.099 1.462 1.00 4.21 H new ATOM 0 HE1 TRP A 82 3.460 4.069 0.435 1.00 0.34 H new ATOM 0 HE3 TRP A 82 0.420 6.457 -3.300 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.609 2.827 -2.082 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 1.159 4.808 -4.971 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.731 3.017 -4.366 1.00 21.24 H new ATOM 1492 N SER A 83 0.237 10.115 -2.237 1.00 0.45 N ATOM 1493 CA SER A 83 -0.600 11.154 -2.828 1.00 45.33 C ATOM 1494 C SER A 83 -0.991 10.785 -4.254 1.00 14.00 C ATOM 1495 O SER A 83 -0.127 10.523 -5.092 1.00 21.33 O ATOM 1496 CB SER A 83 0.139 12.497 -2.827 1.00 45.54 C ATOM 1497 OG SER A 83 1.528 12.322 -3.067 1.00 64.21 O ATOM 0 H SER A 83 0.684 9.502 -2.919 1.00 0.45 H new ATOM 0 HA SER A 83 -1.505 11.242 -2.227 1.00 45.33 H new ATOM 0 HB2 SER A 83 -0.285 13.148 -3.591 1.00 45.54 H new ATOM 0 HB3 SER A 83 -0.007 12.994 -1.868 1.00 45.54 H new ATOM 0 HG SER A 83 1.973 13.195 -3.062 1.00 64.21 H new ATOM 1503 N LEU A 84 -2.295 10.769 -4.532 1.00 31.40 N ATOM 1504 CA LEU A 84 -2.778 10.437 -5.866 1.00 34.22 C ATOM 1505 C LEU A 84 -2.679 11.648 -6.784 1.00 61.13 C ATOM 1506 O LEU A 84 -3.046 12.763 -6.406 1.00 43.23 O ATOM 1507 CB LEU A 84 -4.223 9.926 -5.807 1.00 23.12 C ATOM 1508 CG LEU A 84 -5.057 10.139 -7.077 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -4.756 9.067 -8.120 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -6.533 10.148 -6.725 1.00 4.53 C ATOM 0 H LEU A 84 -3.028 10.981 -3.855 1.00 31.40 H new ATOM 0 HA LEU A 84 -2.150 9.643 -6.270 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -4.203 8.860 -5.583 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -4.729 10.417 -4.976 1.00 23.12 H new ATOM 0 HG LEU A 84 -4.790 11.103 -7.511 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -5.362 9.244 -9.009 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -3.700 9.105 -8.387 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -4.991 8.085 -7.710 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -7.122 10.300 -7.630 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -6.805 9.195 -6.271 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -6.734 10.956 -6.021 1.00 4.53 H new ATOM 1522 N GLU A 85 -2.187 11.412 -7.992 1.00 64.11 N ATOM 1523 CA GLU A 85 -2.040 12.469 -8.986 1.00 75.32 C ATOM 1524 C GLU A 85 -2.627 12.017 -10.313 1.00 62.42 C ATOM 1525 O GLU A 85 -2.362 10.905 -10.767 1.00 4.22 O ATOM 1526 CB GLU A 85 -0.568 12.844 -9.165 1.00 42.01 C ATOM 1527 CG GLU A 85 0.097 13.333 -7.888 1.00 31.23 C ATOM 1528 CD GLU A 85 1.506 13.849 -8.116 1.00 52.24 C ATOM 1529 OE1 GLU A 85 2.269 13.197 -8.864 1.00 22.42 O ATOM 1530 OE2 GLU A 85 1.852 14.903 -7.541 1.00 72.51 O ATOM 0 H GLU A 85 -1.881 10.492 -8.310 1.00 64.11 H new ATOM 0 HA GLU A 85 -2.579 13.350 -8.636 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -0.024 11.976 -9.538 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -0.490 13.621 -9.926 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -0.509 14.126 -7.450 1.00 31.23 H new ATOM 0 HG3 GLU A 85 0.127 12.518 -7.165 1.00 31.23 H new ATOM 1537 N GLY A 86 -3.432 12.880 -10.924 1.00 12.52 N ATOM 1538 CA GLY A 86 -4.054 12.548 -12.189 1.00 64.22 C ATOM 1539 C GLY A 86 -4.880 11.288 -12.106 1.00 60.35 C ATOM 1540 O GLY A 86 -6.004 11.292 -11.600 1.00 22.34 O ATOM 0 H GLY A 86 -3.664 13.805 -10.563 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -4.688 13.375 -12.508 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -3.283 12.425 -12.950 1.00 64.22 H new ATOM 1544 N ASN A 87 -4.306 10.216 -12.611 1.00 1.24 N ATOM 1545 CA ASN A 87 -4.954 8.909 -12.619 1.00 21.44 C ATOM 1546 C ASN A 87 -4.054 7.828 -12.005 1.00 4.41 C ATOM 1547 O ASN A 87 -4.202 6.644 -12.316 1.00 23.54 O ATOM 1548 CB ASN A 87 -5.318 8.528 -14.053 1.00 60.33 C ATOM 1549 CG ASN A 87 -6.712 8.980 -14.447 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -7.640 8.175 -14.509 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -6.866 10.271 -14.722 1.00 63.23 N ATOM 0 H ASN A 87 -3.376 10.220 -13.029 1.00 1.24 H new ATOM 0 HA ASN A 87 -5.857 8.975 -12.012 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -4.592 8.968 -14.736 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -5.247 7.446 -14.166 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -7.781 10.628 -14.997 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -6.069 10.905 -14.658 1.00 63.23 H new ATOM 1558 N LYS A 88 -3.115 8.230 -11.141 1.00 64.32 N ATOM 1559 CA LYS A 88 -2.201 7.266 -10.512 1.00 52.43 C ATOM 1560 C LYS A 88 -1.813 7.681 -9.089 1.00 52.45 C ATOM 1561 O LYS A 88 -1.767 8.869 -8.771 1.00 52.42 O ATOM 1562 CB LYS A 88 -0.942 7.097 -11.368 1.00 32.32 C ATOM 1563 CG LYS A 88 -0.753 5.683 -11.896 1.00 55.01 C ATOM 1564 CD LYS A 88 -1.220 5.557 -13.339 1.00 71.31 C ATOM 1565 CE LYS A 88 -1.417 4.102 -13.740 1.00 53.02 C ATOM 1566 NZ LYS A 88 -2.858 3.753 -13.898 1.00 72.34 N ATOM 0 H LYS A 88 -2.968 9.200 -10.864 1.00 64.32 H new ATOM 0 HA LYS A 88 -2.729 6.315 -10.444 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -0.989 7.788 -12.210 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -0.070 7.375 -10.776 1.00 32.32 H new ATOM 0 HG2 LYS A 88 0.299 5.406 -11.828 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -1.308 4.983 -11.271 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -2.156 6.100 -13.468 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -0.489 6.021 -14.000 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -0.893 3.911 -14.677 1.00 53.02 H new ATOM 0 HE3 LYS A 88 -0.968 3.455 -12.986 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -2.968 3.079 -14.682 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -3.209 3.322 -13.019 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -3.403 4.614 -14.103 1.00 72.34 H new ATOM 1580 N LEU A 89 -1.532 6.686 -8.235 1.00 61.13 N ATOM 1581 CA LEU A 89 -1.150 6.952 -6.846 1.00 43.02 C ATOM 1582 C LEU A 89 0.362 7.004 -6.671 1.00 44.33 C ATOM 1583 O LEU A 89 1.083 6.082 -7.065 1.00 32.12 O ATOM 1584 CB LEU A 89 -1.748 5.913 -5.900 1.00 42.03 C ATOM 1585 CG LEU A 89 -2.749 6.492 -4.907 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -3.850 5.498 -4.604 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -2.053 6.932 -3.629 1.00 0.44 C ATOM 0 H LEU A 89 -1.562 5.697 -8.482 1.00 61.13 H new ATOM 0 HA LEU A 89 -1.553 7.933 -6.593 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -2.240 5.139 -6.489 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -0.941 5.429 -5.349 1.00 42.03 H new ATOM 0 HG LEU A 89 -3.204 7.370 -5.365 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -4.550 5.936 -3.893 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -4.377 5.247 -5.525 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -3.417 4.594 -4.176 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -2.789 7.342 -2.937 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -1.560 6.075 -3.170 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -1.311 7.695 -3.863 1.00 0.44 H new ATOM 1599 N ILE A 90 0.821 8.107 -6.080 1.00 20.31 N ATOM 1600 CA ILE A 90 2.240 8.348 -5.844 1.00 1.33 C ATOM 1601 C ILE A 90 2.647 8.100 -4.391 1.00 73.44 C ATOM 1602 O ILE A 90 2.027 8.620 -3.465 1.00 20.44 O ATOM 1603 CB ILE A 90 2.598 9.808 -6.204 1.00 4.10 C ATOM 1604 CG1 ILE A 90 2.235 10.109 -7.663 1.00 51.03 C ATOM 1605 CG2 ILE A 90 4.078 10.078 -5.957 1.00 1.00 C ATOM 1606 CD1 ILE A 90 2.729 9.064 -8.643 1.00 22.33 C ATOM 0 H ILE A 90 0.216 8.859 -5.751 1.00 20.31 H new ATOM 0 HA ILE A 90 2.781 7.645 -6.477 1.00 1.33 H new ATOM 0 HB ILE A 90 2.017 10.468 -5.560 1.00 4.10 H new ATOM 0 HG12 ILE A 90 1.151 10.191 -7.749 1.00 51.03 H new ATOM 0 HG13 ILE A 90 2.651 11.078 -7.939 1.00 51.03 H new ATOM 0 HG21 ILE A 90 4.308 11.111 -6.217 1.00 1.00 H new ATOM 0 HG22 ILE A 90 4.308 9.909 -4.905 1.00 1.00 H new ATOM 0 HG23 ILE A 90 4.678 9.407 -6.572 1.00 1.00 H new ATOM 0 HD11 ILE A 90 2.434 9.345 -9.654 1.00 22.33 H new ATOM 0 HD12 ILE A 90 3.816 8.997 -8.587 1.00 22.33 H new ATOM 0 HD13 ILE A 90 2.293 8.097 -8.394 1.00 22.33 H new ATOM 1618 N GLY A 91 3.724 7.336 -4.211 1.00 11.44 N ATOM 1619 CA GLY A 91 4.249 7.058 -2.885 1.00 34.30 C ATOM 1620 C GLY A 91 5.733 7.360 -2.840 1.00 1.33 C ATOM 1621 O GLY A 91 6.491 6.836 -3.657 1.00 53.25 O ATOM 0 H GLY A 91 4.247 6.901 -4.971 1.00 11.44 H new ATOM 0 HA2 GLY A 91 3.724 7.661 -2.144 1.00 34.30 H new ATOM 0 HA3 GLY A 91 4.074 6.013 -2.628 1.00 34.30 H new ATOM 1625 N LYS A 92 6.156 8.234 -1.929 1.00 23.42 N ATOM 1626 CA LYS A 92 7.564 8.607 -1.860 1.00 62.21 C ATOM 1627 C LYS A 92 8.067 8.801 -0.432 1.00 60.24 C ATOM 1628 O LYS A 92 7.403 9.420 0.401 1.00 45.22 O ATOM 1629 CB LYS A 92 7.790 9.893 -2.656 1.00 51.24 C ATOM 1630 CG LYS A 92 8.449 9.666 -4.006 1.00 23.40 C ATOM 1631 CD LYS A 92 8.000 10.695 -5.037 1.00 20.43 C ATOM 1632 CE LYS A 92 8.103 12.120 -4.505 1.00 73.31 C ATOM 1633 NZ LYS A 92 9.506 12.494 -4.162 1.00 21.42 N ATOM 0 H LYS A 92 5.556 8.689 -1.241 1.00 23.42 H new ATOM 0 HA LYS A 92 8.131 7.780 -2.287 1.00 62.21 H new ATOM 0 HB2 LYS A 92 6.831 10.389 -2.808 1.00 51.24 H new ATOM 0 HB3 LYS A 92 8.410 10.570 -2.068 1.00 51.24 H new ATOM 0 HG2 LYS A 92 9.532 9.713 -3.894 1.00 23.40 H new ATOM 0 HG3 LYS A 92 8.209 8.665 -4.364 1.00 23.40 H new ATOM 0 HD2 LYS A 92 8.610 10.598 -5.935 1.00 20.43 H new ATOM 0 HD3 LYS A 92 6.970 10.490 -5.328 1.00 20.43 H new ATOM 0 HE2 LYS A 92 7.716 12.814 -5.252 1.00 73.31 H new ATOM 0 HE3 LYS A 92 7.475 12.222 -3.620 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 9.528 13.470 -3.805 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 9.868 11.850 -3.430 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 10.102 12.423 -5.011 1.00 21.42 H new ATOM 1647 N PHE A 93 9.276 8.295 -0.190 1.00 55.42 N ATOM 1648 CA PHE A 93 9.951 8.419 1.101 1.00 52.52 C ATOM 1649 C PHE A 93 11.446 8.605 0.852 1.00 0.02 C ATOM 1650 O PHE A 93 12.011 7.943 -0.022 1.00 21.33 O ATOM 1651 CB PHE A 93 9.735 7.180 1.981 1.00 22.45 C ATOM 1652 CG PHE A 93 8.317 6.989 2.444 1.00 11.02 C ATOM 1653 CD1 PHE A 93 7.381 6.374 1.628 1.00 61.11 C ATOM 1654 CD2 PHE A 93 7.926 7.418 3.702 1.00 4.00 C ATOM 1655 CE1 PHE A 93 6.080 6.192 2.059 1.00 3.31 C ATOM 1656 CE2 PHE A 93 6.627 7.240 4.137 1.00 14.40 C ATOM 1657 CZ PHE A 93 5.703 6.626 3.316 1.00 43.22 C ATOM 0 H PHE A 93 9.817 7.785 -0.888 1.00 55.42 H new ATOM 0 HA PHE A 93 9.532 9.276 1.627 1.00 52.52 H new ATOM 0 HB2 PHE A 93 10.046 6.295 1.425 1.00 22.45 H new ATOM 0 HB3 PHE A 93 10.383 7.252 2.854 1.00 22.45 H new ATOM 0 HD1 PHE A 93 7.671 6.033 0.645 1.00 61.11 H new ATOM 0 HD2 PHE A 93 8.645 7.897 4.350 1.00 4.00 H new ATOM 0 HE1 PHE A 93 5.359 5.711 1.414 1.00 3.31 H new ATOM 0 HE2 PHE A 93 6.335 7.581 5.119 1.00 14.40 H new ATOM 0 HZ PHE A 93 4.687 6.485 3.655 1.00 43.22 H new ATOM 1667 N LYS A 94 12.085 9.510 1.589 1.00 20.41 N ATOM 1668 CA LYS A 94 13.518 9.757 1.391 1.00 73.43 C ATOM 1669 C LYS A 94 14.313 9.675 2.690 1.00 0.35 C ATOM 1670 O LYS A 94 13.900 10.217 3.720 1.00 11.12 O ATOM 1671 CB LYS A 94 13.742 11.125 0.747 1.00 3.53 C ATOM 1672 CG LYS A 94 12.990 11.310 -0.562 1.00 3.51 C ATOM 1673 CD LYS A 94 12.630 12.767 -0.803 1.00 21.40 C ATOM 1674 CE LYS A 94 13.854 13.595 -1.164 1.00 74.22 C ATOM 1675 NZ LYS A 94 13.948 14.834 -0.343 1.00 44.32 N ATOM 0 H LYS A 94 11.648 10.076 2.316 1.00 20.41 H new ATOM 0 HA LYS A 94 13.879 8.970 0.729 1.00 73.43 H new ATOM 0 HB2 LYS A 94 13.434 11.902 1.447 1.00 3.53 H new ATOM 0 HB3 LYS A 94 14.808 11.263 0.567 1.00 3.53 H new ATOM 0 HG2 LYS A 94 13.601 10.945 -1.387 1.00 3.51 H new ATOM 0 HG3 LYS A 94 12.081 10.708 -0.548 1.00 3.51 H new ATOM 0 HD2 LYS A 94 11.896 12.833 -1.606 1.00 21.40 H new ATOM 0 HD3 LYS A 94 12.162 13.179 0.091 1.00 21.40 H new ATOM 0 HE2 LYS A 94 14.753 12.995 -1.021 1.00 74.22 H new ATOM 0 HE3 LYS A 94 13.813 13.861 -2.220 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 14.795 15.370 -0.619 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 13.102 15.419 -0.499 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 14.013 14.580 0.663 1.00 44.32 H new ATOM 1689 N ARG A 95 15.474 9.012 2.618 1.00 20.31 N ATOM 1690 CA ARG A 95 16.362 8.874 3.774 1.00 34.34 C ATOM 1691 C ARG A 95 16.856 10.250 4.223 1.00 4.43 C ATOM 1692 O ARG A 95 17.225 11.082 3.392 1.00 43.14 O ATOM 1693 CB ARG A 95 17.563 7.985 3.428 1.00 61.13 C ATOM 1694 CG ARG A 95 17.183 6.619 2.873 1.00 63.13 C ATOM 1695 CD ARG A 95 18.301 6.028 2.025 1.00 21.50 C ATOM 1696 NE ARG A 95 19.102 5.052 2.767 1.00 13.12 N ATOM 1697 CZ ARG A 95 20.145 4.391 2.253 1.00 2.33 C ATOM 1698 NH1 ARG A 95 20.526 4.601 0.997 1.00 45.44 N ATOM 1699 NH2 ARG A 95 20.813 3.521 3.001 1.00 1.10 N ATOM 0 H ARG A 95 15.819 8.563 1.769 1.00 20.31 H new ATOM 0 HA ARG A 95 15.801 8.409 4.584 1.00 34.34 H new ATOM 0 HB2 ARG A 95 18.186 8.502 2.698 1.00 61.13 H new ATOM 0 HB3 ARG A 95 18.169 7.846 4.323 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.953 5.942 3.696 1.00 63.13 H new ATOM 0 HG3 ARG A 95 16.278 6.709 2.272 1.00 63.13 H new ATOM 0 HD2 ARG A 95 17.872 5.549 1.144 1.00 21.50 H new ATOM 0 HD3 ARG A 95 18.947 6.830 1.669 1.00 21.50 H new ATOM 0 HE ARG A 95 18.848 4.864 3.737 1.00 13.12 H new ATOM 0 HH11 ARG A 95 20.022 5.271 0.416 1.00 45.44 H new ATOM 0 HH12 ARG A 95 21.323 4.092 0.614 1.00 45.44 H new ATOM 0 HH21 ARG A 95 20.531 3.357 3.967 1.00 1.10 H new ATOM 0 HH22 ARG A 95 21.608 3.017 2.609 1.00 1.10 H new ATOM 1713 N THR A 96 16.861 10.486 5.534 1.00 12.42 N ATOM 1714 CA THR A 96 17.308 11.770 6.080 1.00 71.44 C ATOM 1715 C THR A 96 18.833 11.823 6.262 1.00 43.04 C ATOM 1716 O THR A 96 19.384 12.879 6.575 1.00 55.51 O ATOM 1717 CB THR A 96 16.607 12.043 7.416 1.00 14.53 C ATOM 1718 OG1 THR A 96 16.614 13.429 7.713 1.00 23.42 O ATOM 1719 CG2 THR A 96 17.234 11.314 8.587 1.00 13.31 C ATOM 0 H THR A 96 16.562 9.809 6.236 1.00 12.42 H new ATOM 0 HA THR A 96 17.040 12.544 5.361 1.00 71.44 H new ATOM 0 HB THR A 96 15.590 11.673 7.287 1.00 14.53 H new ATOM 0 HG1 THR A 96 17.485 13.810 7.476 1.00 23.42 H new ATOM 0 HG21 THR A 96 16.688 11.553 9.499 1.00 13.31 H new ATOM 0 HG22 THR A 96 17.193 10.239 8.411 1.00 13.31 H new ATOM 0 HG23 THR A 96 18.273 11.624 8.695 1.00 13.31 H new ATOM 1727 N ASP A 97 19.510 10.685 6.075 1.00 52.55 N ATOM 1728 CA ASP A 97 20.962 10.621 6.234 1.00 20.54 C ATOM 1729 C ASP A 97 21.694 11.049 4.960 1.00 75.24 C ATOM 1730 O ASP A 97 22.586 11.899 5.011 1.00 61.44 O ATOM 1731 CB ASP A 97 21.391 9.203 6.623 1.00 0.20 C ATOM 1732 CG ASP A 97 20.964 8.829 8.029 1.00 24.51 C ATOM 1733 OD1 ASP A 97 19.833 8.326 8.194 1.00 61.23 O ATOM 1734 OD2 ASP A 97 21.763 9.036 8.965 1.00 60.22 O ATOM 0 H ASP A 97 19.075 9.800 5.814 1.00 52.55 H new ATOM 0 HA ASP A 97 21.233 11.317 7.028 1.00 20.54 H new ATOM 0 HB2 ASP A 97 20.964 8.492 5.916 1.00 0.20 H new ATOM 0 HB3 ASP A 97 22.475 9.120 6.542 1.00 0.20 H new ATOM 1739 N ASN A 98 21.331 10.447 3.824 1.00 54.01 N ATOM 1740 CA ASN A 98 21.983 10.764 2.548 1.00 64.15 C ATOM 1741 C ASN A 98 21.041 11.474 1.570 1.00 33.43 C ATOM 1742 O ASN A 98 21.507 12.153 0.652 1.00 60.31 O ATOM 1743 CB ASN A 98 22.547 9.496 1.888 1.00 55.15 C ATOM 1744 CG ASN A 98 22.279 8.231 2.688 1.00 41.12 C ATOM 1745 OD1 ASN A 98 22.920 7.979 3.707 1.00 42.33 O ATOM 1746 ND2 ASN A 98 21.325 7.432 2.231 1.00 12.13 N ATOM 0 H ASN A 98 20.596 9.743 3.760 1.00 54.01 H new ATOM 0 HA ASN A 98 22.800 11.446 2.782 1.00 64.15 H new ATOM 0 HB2 ASN A 98 22.112 9.388 0.894 1.00 55.15 H new ATOM 0 HB3 ASN A 98 23.623 9.612 1.754 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.099 6.571 2.729 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.817 7.678 1.381 1.00 12.13 H new ATOM 1753 N GLY A 99 19.724 11.331 1.762 1.00 14.42 N ATOM 1754 CA GLY A 99 18.777 11.986 0.880 1.00 60.44 C ATOM 1755 C GLY A 99 18.432 11.173 -0.357 1.00 33.13 C ATOM 1756 O GLY A 99 18.227 11.746 -1.428 1.00 20.23 O ATOM 0 H GLY A 99 19.305 10.776 2.508 1.00 14.42 H new ATOM 0 HA2 GLY A 99 17.862 12.194 1.434 1.00 60.44 H new ATOM 0 HA3 GLY A 99 19.187 12.947 0.570 1.00 60.44 H new ATOM 1760 N ASN A 100 18.353 9.844 -0.223 1.00 74.43 N ATOM 1761 CA ASN A 100 18.006 8.996 -1.362 1.00 44.31 C ATOM 1762 C ASN A 100 16.517 9.111 -1.648 1.00 43.34 C ATOM 1763 O ASN A 100 15.706 9.192 -0.723 1.00 1.23 O ATOM 1764 CB ASN A 100 18.375 7.534 -1.109 1.00 32.25 C ATOM 1765 CG ASN A 100 19.875 7.318 -1.071 1.00 2.45 C ATOM 1766 OD1 ASN A 100 20.587 7.976 -0.313 1.00 53.33 O ATOM 1767 ND2 ASN A 100 20.365 6.396 -1.892 1.00 24.11 N ATOM 0 H ASN A 100 18.522 9.342 0.649 1.00 74.43 H new ATOM 0 HA ASN A 100 18.577 9.339 -2.225 1.00 44.31 H new ATOM 0 HB2 ASN A 100 17.939 7.210 -0.164 1.00 32.25 H new ATOM 0 HB3 ASN A 100 17.940 6.911 -1.891 1.00 32.25 H new ATOM 0 HD21 ASN A 100 21.368 6.211 -1.910 1.00 24.11 H new ATOM 0 HD22 ASN A 100 19.738 5.873 -2.504 1.00 24.11 H new ATOM 1774 N GLU A 101 16.160 9.139 -2.925 1.00 22.52 N ATOM 1775 CA GLU A 101 14.766 9.270 -3.310 1.00 32.12 C ATOM 1776 C GLU A 101 14.176 7.954 -3.788 1.00 22.24 C ATOM 1777 O GLU A 101 14.523 7.454 -4.861 1.00 42.32 O ATOM 1778 CB GLU A 101 14.614 10.338 -4.394 1.00 2.45 C ATOM 1779 CG GLU A 101 14.658 11.748 -3.838 1.00 1.02 C ATOM 1780 CD GLU A 101 13.616 12.661 -4.446 1.00 13.44 C ATOM 1781 OE1 GLU A 101 12.459 12.633 -3.978 1.00 74.23 O ATOM 1782 OE2 GLU A 101 13.955 13.408 -5.385 1.00 64.13 O ATOM 0 H GLU A 101 16.813 9.073 -3.705 1.00 22.52 H new ATOM 0 HA GLU A 101 14.212 9.572 -2.421 1.00 32.12 H new ATOM 0 HB2 GLU A 101 15.408 10.218 -5.131 1.00 2.45 H new ATOM 0 HB3 GLU A 101 13.669 10.187 -4.916 1.00 2.45 H new ATOM 0 HG2 GLU A 101 14.513 11.711 -2.758 1.00 1.02 H new ATOM 0 HG3 GLU A 101 15.648 12.170 -4.013 1.00 1.02 H new ATOM 1789 N LEU A 102 13.246 7.422 -2.999 1.00 41.21 N ATOM 1790 CA LEU A 102 12.560 6.190 -3.355 1.00 2.00 C ATOM 1791 C LEU A 102 11.175 6.529 -3.851 1.00 35.24 C ATOM 1792 O LEU A 102 10.536 7.454 -3.342 1.00 65.52 O ATOM 1793 CB LEU A 102 12.442 5.234 -2.176 1.00 20.22 C ATOM 1794 CG LEU A 102 11.950 3.835 -2.552 1.00 63.55 C ATOM 1795 CD1 LEU A 102 13.114 2.955 -2.977 1.00 24.43 C ATOM 1796 CD2 LEU A 102 11.186 3.205 -1.401 1.00 61.14 C ATOM 0 H LEU A 102 12.953 7.827 -2.110 1.00 41.21 H new ATOM 0 HA LEU A 102 13.146 5.693 -4.128 1.00 2.00 H new ATOM 0 HB2 LEU A 102 13.416 5.147 -1.694 1.00 20.22 H new ATOM 0 HB3 LEU A 102 11.759 5.662 -1.442 1.00 20.22 H new ATOM 0 HG LEU A 102 11.268 3.928 -3.397 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.744 1.964 -3.240 1.00 24.43 H new ATOM 0 HD12 LEU A 102 13.609 3.399 -3.841 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.825 2.870 -2.155 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.846 2.211 -1.691 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.838 3.126 -0.531 1.00 61.14 H new ATOM 0 HD23 LEU A 102 10.325 3.825 -1.153 1.00 61.14 H new ATOM 1808 N ASN A 103 10.718 5.799 -4.852 1.00 22.34 N ATOM 1809 CA ASN A 103 9.410 6.061 -5.417 1.00 0.05 C ATOM 1810 C ASN A 103 8.607 4.776 -5.560 1.00 32.40 C ATOM 1811 O ASN A 103 9.098 3.779 -6.089 1.00 33.12 O ATOM 1812 CB ASN A 103 9.545 6.784 -6.768 1.00 52.15 C ATOM 1813 CG ASN A 103 10.996 7.084 -7.131 1.00 74.21 C ATOM 1814 OD1 ASN A 103 11.639 7.980 -6.377 1.00 52.44 O flip ATOM 1815 ND2 ASN A 103 11.537 6.509 -8.075 1.00 22.52 N flip ATOM 0 H ASN A 103 11.227 5.029 -5.285 1.00 22.34 H new ATOM 0 HA ASN A 103 8.866 6.713 -4.733 1.00 0.05 H new ATOM 0 HB2 ASN A 103 9.098 6.171 -7.550 1.00 52.15 H new ATOM 0 HB3 ASN A 103 8.983 7.717 -6.734 1.00 52.15 H new ATOM 0 HD21 ASN A 103 11.012 5.831 -8.627 1.00 22.52 H new ATOM 0 HD22 ASN A 103 12.510 6.711 -8.305 1.00 22.52 H new ATOM 1822 N THR A 104 7.371 4.806 -5.067 1.00 21.42 N ATOM 1823 CA THR A 104 6.494 3.644 -5.119 1.00 25.23 C ATOM 1824 C THR A 104 5.122 4.002 -5.682 1.00 51.23 C ATOM 1825 O THR A 104 4.578 5.067 -5.389 1.00 61.42 O ATOM 1826 CB THR A 104 6.344 3.029 -3.722 1.00 42.52 C ATOM 1827 OG1 THR A 104 5.318 2.049 -3.702 1.00 23.22 O ATOM 1828 CG2 THR A 104 6.029 4.041 -2.641 1.00 24.22 C ATOM 0 H THR A 104 6.955 5.626 -4.626 1.00 21.42 H new ATOM 0 HA THR A 104 6.951 2.914 -5.787 1.00 25.23 H new ATOM 0 HB THR A 104 7.317 2.587 -3.509 1.00 42.52 H new ATOM 0 HG1 THR A 104 4.454 2.484 -3.546 1.00 23.22 H new ATOM 0 HG21 THR A 104 5.938 3.532 -1.682 1.00 24.22 H new ATOM 0 HG22 THR A 104 6.831 4.777 -2.586 1.00 24.22 H new ATOM 0 HG23 THR A 104 5.091 4.544 -2.876 1.00 24.22 H new ATOM 1836 N VAL A 105 4.569 3.091 -6.478 1.00 20.15 N ATOM 1837 CA VAL A 105 3.247 3.282 -7.081 1.00 20.20 C ATOM 1838 C VAL A 105 2.293 2.184 -6.609 1.00 42.35 C ATOM 1839 O VAL A 105 2.689 1.019 -6.505 1.00 42.25 O ATOM 1840 CB VAL A 105 3.310 3.276 -8.626 1.00 0.21 C ATOM 1841 CG1 VAL A 105 2.190 4.124 -9.210 1.00 73.52 C ATOM 1842 CG2 VAL A 105 4.667 3.765 -9.120 1.00 34.11 C ATOM 0 H VAL A 105 5.016 2.208 -6.723 1.00 20.15 H new ATOM 0 HA VAL A 105 2.882 4.258 -6.761 1.00 20.20 H new ATOM 0 HB VAL A 105 3.178 2.249 -8.965 1.00 0.21 H new ATOM 0 HG11 VAL A 105 2.251 4.108 -10.298 1.00 73.52 H new ATOM 0 HG12 VAL A 105 1.227 3.722 -8.894 1.00 73.52 H new ATOM 0 HG13 VAL A 105 2.289 5.150 -8.857 1.00 73.52 H new ATOM 0 HG21 VAL A 105 4.684 3.751 -10.210 1.00 34.11 H new ATOM 0 HG22 VAL A 105 4.837 4.782 -8.768 1.00 34.11 H new ATOM 0 HG23 VAL A 105 5.451 3.112 -8.736 1.00 34.11 H new ATOM 1852 N ARG A 106 1.042 2.548 -6.302 1.00 13.20 N ATOM 1853 CA ARG A 106 0.070 1.560 -5.821 1.00 34.51 C ATOM 1854 C ARG A 106 -1.088 1.372 -6.796 1.00 60.22 C ATOM 1855 O ARG A 106 -1.786 2.330 -7.136 1.00 12.12 O ATOM 1856 CB ARG A 106 -0.471 1.964 -4.446 1.00 32.31 C ATOM 1857 CG ARG A 106 0.193 1.227 -3.294 1.00 51.51 C ATOM 1858 CD ARG A 106 -0.814 0.823 -2.228 1.00 54.04 C ATOM 1859 NE ARG A 106 -0.258 0.935 -0.879 1.00 40.21 N ATOM 1860 CZ ARG A 106 -0.043 2.095 -0.251 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -0.358 3.248 -0.834 1.00 4.01 N ATOM 1862 NH2 ARG A 106 0.489 2.100 0.967 1.00 12.20 N ATOM 0 H ARG A 106 0.684 3.500 -6.376 1.00 13.20 H new ATOM 0 HA ARG A 106 0.596 0.609 -5.740 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -0.331 3.036 -4.310 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -1.544 1.776 -4.417 1.00 32.31 H new ATOM 0 HG2 ARG A 106 0.697 0.338 -3.673 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.959 1.862 -2.849 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -1.700 1.453 -2.309 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.136 -0.204 -2.404 1.00 54.04 H new ATOM 0 HE ARG A 106 -0.020 0.074 -0.387 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -0.767 3.252 -1.768 1.00 4.01 H new ATOM 0 HH12 ARG A 106 -0.190 4.128 -0.347 1.00 4.01 H new ATOM 0 HH21 ARG A 106 0.732 1.220 1.421 1.00 12.20 H new ATOM 0 HH22 ARG A 106 0.654 2.984 1.448 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.290 0.126 -7.239 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.369 -0.193 -8.173 1.00 24.13 C ATOM 1878 C GLU A 107 -2.896 -1.610 -7.939 1.00 22.43 C ATOM 1879 O GLU A 107 -2.358 -2.352 -7.117 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.852 -0.071 -9.610 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.935 0.207 -10.640 1.00 32.33 C ATOM 1882 CD GLU A 107 -2.531 1.282 -11.626 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -2.742 2.473 -11.320 1.00 4.10 O ATOM 1884 OE2 GLU A 107 -2.002 0.937 -12.703 1.00 42.53 O ATOM 0 H GLU A 107 -0.720 -0.675 -6.965 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.186 0.510 -8.009 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.113 0.729 -9.652 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -1.338 -0.994 -9.879 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -3.162 -0.712 -11.181 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -3.849 0.511 -10.129 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.926 -1.993 -8.691 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.479 -3.336 -8.598 1.00 44.22 C ATOM 1893 C ILE A 108 -4.577 -3.943 -9.993 1.00 5.23 C ATOM 1894 O ILE A 108 -5.159 -3.348 -10.902 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.863 -3.402 -7.904 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -6.171 -4.864 -7.572 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.952 -2.799 -8.782 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.861 -5.060 -6.248 1.00 52.04 C ATOM 0 H ILE A 108 -4.392 -1.391 -9.370 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.795 -3.907 -7.969 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.837 -2.815 -6.986 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.797 -5.281 -8.361 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -5.239 -5.430 -7.572 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.911 -2.861 -8.267 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.717 -1.755 -8.987 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -7.009 -3.350 -9.721 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -7.044 -6.122 -6.087 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -6.229 -4.675 -5.448 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.810 -4.524 -6.250 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.987 -5.118 -10.161 1.00 5.03 N ATOM 1911 CA ILE A 109 -3.994 -5.801 -11.454 1.00 60.42 C ATOM 1912 C ILE A 109 -4.724 -7.131 -11.361 1.00 52.15 C ATOM 1913 O ILE A 109 -4.474 -7.920 -10.447 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.564 -6.025 -11.996 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.709 -4.771 -11.789 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -2.608 -6.393 -13.473 1.00 51.21 C ATOM 1917 CD1 ILE A 109 -0.222 -5.045 -11.802 1.00 20.33 C ATOM 0 H ILE A 109 -3.497 -5.621 -9.421 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.522 -5.152 -12.152 1.00 60.42 H new ATOM 0 HB ILE A 109 -2.112 -6.849 -11.444 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -1.944 -4.048 -12.570 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.977 -4.311 -10.838 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -1.593 -6.547 -13.840 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -3.184 -7.309 -13.603 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -3.078 -5.586 -14.035 1.00 51.21 H new ATOM 0 HD11 ILE A 109 0.321 -4.112 -11.650 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.026 -5.744 -11.003 1.00 20.33 H new ATOM 0 HD13 ILE A 109 0.060 -5.477 -12.762 1.00 20.33 H new ATOM 1929 N GLY A 110 -5.635 -7.373 -12.304 1.00 40.35 N ATOM 1930 CA GLY A 110 -6.391 -8.609 -12.289 1.00 2.25 C ATOM 1931 C GLY A 110 -7.249 -8.722 -11.055 1.00 53.53 C ATOM 1932 O GLY A 110 -8.236 -8.003 -10.904 1.00 42.33 O ATOM 0 H GLY A 110 -5.859 -6.739 -13.071 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -7.021 -8.661 -13.177 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -5.706 -9.455 -12.335 1.00 2.25 H new ATOM 1936 N ASP A 111 -6.865 -9.628 -10.176 1.00 13.12 N ATOM 1937 CA ASP A 111 -7.591 -9.853 -8.932 1.00 4.21 C ATOM 1938 C ASP A 111 -6.663 -9.801 -7.708 1.00 14.11 C ATOM 1939 O ASP A 111 -7.023 -10.283 -6.632 1.00 4.43 O ATOM 1940 CB ASP A 111 -8.318 -11.196 -9.008 1.00 3.13 C ATOM 1941 CG ASP A 111 -9.816 -11.054 -8.811 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -10.475 -10.454 -9.687 1.00 22.43 O ATOM 1943 OD2 ASP A 111 -10.331 -11.537 -7.781 1.00 54.32 O ATOM 0 H ASP A 111 -6.048 -10.227 -10.299 1.00 13.12 H new ATOM 0 HA ASP A 111 -8.319 -9.051 -8.808 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -8.124 -11.657 -9.976 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -7.916 -11.867 -8.249 1.00 3.13 H new ATOM 1948 N GLU A 112 -5.466 -9.223 -7.875 1.00 11.22 N ATOM 1949 CA GLU A 112 -4.496 -9.128 -6.780 1.00 2.02 C ATOM 1950 C GLU A 112 -3.938 -7.710 -6.656 1.00 34.30 C ATOM 1951 O GLU A 112 -3.763 -7.013 -7.658 1.00 53.14 O ATOM 1952 CB GLU A 112 -3.335 -10.114 -6.988 1.00 62.51 C ATOM 1953 CG GLU A 112 -3.585 -11.177 -8.053 1.00 21.30 C ATOM 1954 CD GLU A 112 -2.575 -11.122 -9.182 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -1.493 -11.730 -9.042 1.00 53.22 O ATOM 1956 OE2 GLU A 112 -2.868 -10.472 -10.209 1.00 34.22 O ATOM 0 H GLU A 112 -5.149 -8.816 -8.755 1.00 11.22 H new ATOM 0 HA GLU A 112 -5.022 -9.382 -5.860 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -2.442 -9.551 -7.259 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -3.124 -10.611 -6.041 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -3.554 -12.163 -7.590 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -4.587 -11.048 -8.461 1.00 21.30 H new ATOM 1963 N LEU A 113 -3.647 -7.293 -5.423 1.00 43.42 N ATOM 1964 CA LEU A 113 -3.099 -5.960 -5.175 1.00 5.40 C ATOM 1965 C LEU A 113 -1.613 -5.921 -5.474 1.00 43.01 C ATOM 1966 O LEU A 113 -0.899 -6.906 -5.268 1.00 2.14 O ATOM 1967 CB LEU A 113 -3.333 -5.534 -3.723 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.914 -4.095 -3.396 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.784 -3.095 -4.142 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.976 -3.846 -1.898 1.00 24.50 C ATOM 0 H LEU A 113 -3.781 -7.857 -4.584 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.615 -5.267 -5.839 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -4.392 -5.650 -3.492 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.788 -6.213 -3.068 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.883 -3.959 -3.724 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.468 -2.082 -3.894 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.683 -3.254 -5.216 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.826 -3.231 -3.852 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.675 -2.820 -1.687 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.995 -4.005 -1.545 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -2.303 -4.534 -1.387 1.00 24.50 H new ATOM 1982 N VAL A 114 -1.153 -4.775 -5.963 1.00 1.13 N ATOM 1983 CA VAL A 114 0.238 -4.603 -6.295 1.00 14.23 C ATOM 1984 C VAL A 114 0.796 -3.279 -5.788 1.00 13.24 C ATOM 1985 O VAL A 114 0.115 -2.249 -5.786 1.00 62.34 O ATOM 1986 CB VAL A 114 0.459 -4.669 -7.804 1.00 53.42 C ATOM 1987 CG1 VAL A 114 0.372 -6.101 -8.304 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.510 -3.772 -8.542 1.00 54.41 C ATOM 0 H VAL A 114 -1.733 -3.954 -6.135 1.00 1.13 H new ATOM 0 HA VAL A 114 0.764 -5.421 -5.803 1.00 14.23 H new ATOM 0 HB VAL A 114 1.465 -4.303 -8.009 1.00 53.42 H new ATOM 0 HG11 VAL A 114 0.533 -6.120 -9.382 1.00 5.02 H new ATOM 0 HG12 VAL A 114 1.135 -6.705 -7.812 1.00 5.02 H new ATOM 0 HG13 VAL A 114 -0.614 -6.506 -8.077 1.00 5.02 H new ATOM 0 HG21 VAL A 114 -0.326 -3.842 -9.614 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -1.532 -4.086 -8.328 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.371 -2.741 -8.217 1.00 54.41 H new ATOM 1998 N GLN A 115 2.057 -3.329 -5.390 1.00 11.00 N ATOM 1999 CA GLN A 115 2.779 -2.160 -4.904 1.00 51.34 C ATOM 2000 C GLN A 115 4.210 -2.180 -5.437 1.00 4.24 C ATOM 2001 O GLN A 115 5.049 -2.945 -4.954 1.00 1.45 O ATOM 2002 CB GLN A 115 2.783 -2.122 -3.378 1.00 41.14 C ATOM 2003 CG GLN A 115 2.995 -0.728 -2.813 1.00 43.52 C ATOM 2004 CD GLN A 115 2.427 -0.566 -1.417 1.00 11.10 C ATOM 2005 OE1 GLN A 115 1.675 -1.415 -0.933 1.00 2.40 O ATOM 2006 NE2 GLN A 115 2.782 0.530 -0.760 1.00 40.24 N ATOM 0 H GLN A 115 2.613 -4.184 -5.394 1.00 11.00 H new ATOM 0 HA GLN A 115 2.275 -1.263 -5.264 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.836 -2.516 -3.009 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.568 -2.780 -3.007 1.00 41.14 H new ATOM 0 HG2 GLN A 115 4.062 -0.507 -2.794 1.00 43.52 H new ATOM 0 HG3 GLN A 115 2.531 0.002 -3.476 1.00 43.52 H new ATOM 0 HE21 GLN A 115 3.407 1.207 -1.198 1.00 40.24 H new ATOM 0 HE22 GLN A 115 2.430 0.696 0.183 1.00 40.24 H new ATOM 2015 N THR A 116 4.477 -1.354 -6.444 1.00 62.11 N ATOM 2016 CA THR A 116 5.803 -1.295 -7.054 1.00 35.22 C ATOM 2017 C THR A 116 6.677 -0.232 -6.396 1.00 51.32 C ATOM 2018 O THR A 116 6.219 0.874 -6.110 1.00 61.55 O ATOM 2019 CB THR A 116 5.681 -1.014 -8.556 1.00 32.14 C ATOM 2020 OG1 THR A 116 5.032 -2.089 -9.216 1.00 12.40 O ATOM 2021 CG2 THR A 116 7.016 -0.794 -9.238 1.00 14.34 C ATOM 0 H THR A 116 3.795 -0.717 -6.855 1.00 62.11 H new ATOM 0 HA THR A 116 6.281 -2.263 -6.903 1.00 35.22 H new ATOM 0 HB THR A 116 5.100 -0.095 -8.630 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.962 -1.891 -10.173 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.855 -0.601 -10.299 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.519 0.060 -8.786 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.635 -1.683 -9.121 1.00 14.34 H new ATOM 2029 N TYR A 117 7.946 -0.574 -6.184 1.00 33.44 N ATOM 2030 CA TYR A 117 8.911 0.345 -5.588 1.00 20.44 C ATOM 2031 C TYR A 117 10.141 0.457 -6.474 1.00 14.33 C ATOM 2032 O TYR A 117 10.611 -0.537 -7.031 1.00 51.24 O ATOM 2033 CB TYR A 117 9.350 -0.116 -4.198 1.00 72.24 C ATOM 2034 CG TYR A 117 8.224 -0.301 -3.207 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.402 -1.419 -3.257 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.992 0.640 -2.213 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.381 -1.593 -2.345 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.974 0.472 -1.295 1.00 31.21 C ATOM 2039 CZ TYR A 117 6.172 -0.646 -1.366 1.00 23.30 C ATOM 2040 OH TYR A 117 5.158 -0.818 -0.454 1.00 42.41 O ATOM 0 H TYR A 117 8.331 -1.489 -6.419 1.00 33.44 H new ATOM 0 HA TYR A 117 8.419 1.313 -5.495 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.887 -1.059 -4.296 1.00 72.24 H new ATOM 0 HB3 TYR A 117 10.054 0.612 -3.795 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.564 -2.164 -4.022 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.618 1.518 -2.157 1.00 54.33 H new ATOM 0 HE1 TYR A 117 5.749 -2.467 -2.398 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.808 1.212 -0.526 1.00 31.21 H new ATOM 0 HH TYR A 117 5.146 -0.061 0.169 1.00 42.41 H new ATOM 2050 N VAL A 118 10.656 1.670 -6.592 1.00 74.42 N ATOM 2051 CA VAL A 118 11.840 1.930 -7.407 1.00 62.15 C ATOM 2052 C VAL A 118 12.984 2.477 -6.551 1.00 44.02 C ATOM 2053 O VAL A 118 12.861 3.549 -5.952 1.00 20.14 O ATOM 2054 CB VAL A 118 11.541 2.921 -8.553 1.00 22.43 C ATOM 2055 CG1 VAL A 118 12.521 2.709 -9.696 1.00 53.11 C ATOM 2056 CG2 VAL A 118 10.107 2.768 -9.048 1.00 42.23 C ATOM 0 H VAL A 118 10.273 2.496 -6.133 1.00 74.42 H new ATOM 0 HA VAL A 118 12.138 0.976 -7.843 1.00 62.15 H new ATOM 0 HB VAL A 118 11.659 3.934 -8.169 1.00 22.43 H new ATOM 0 HG11 VAL A 118 12.301 3.413 -10.499 1.00 53.11 H new ATOM 0 HG12 VAL A 118 13.538 2.872 -9.339 1.00 53.11 H new ATOM 0 HG13 VAL A 118 12.427 1.690 -10.071 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.923 3.477 -9.855 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.955 1.753 -9.416 1.00 42.23 H new ATOM 0 HG23 VAL A 118 9.416 2.964 -8.228 1.00 42.23 H new ATOM 2066 N TYR A 119 14.093 1.731 -6.491 1.00 3.24 N ATOM 2067 CA TYR A 119 15.258 2.137 -5.702 1.00 63.11 C ATOM 2068 C TYR A 119 16.526 2.159 -6.557 1.00 63.42 C ATOM 2069 O TYR A 119 17.082 1.110 -6.887 1.00 21.25 O ATOM 2070 CB TYR A 119 15.448 1.192 -4.507 1.00 44.42 C ATOM 2071 CG TYR A 119 16.529 1.631 -3.533 1.00 55.04 C ATOM 2072 CD1 TYR A 119 16.418 2.825 -2.824 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.659 0.847 -3.321 1.00 12.04 C ATOM 2074 CE1 TYR A 119 17.400 3.224 -1.933 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.643 1.235 -2.435 1.00 63.42 C ATOM 2076 CZ TYR A 119 18.511 2.424 -1.742 1.00 34.43 C ATOM 2077 OH TYR A 119 19.491 2.814 -0.857 1.00 61.11 O ATOM 0 H TYR A 119 14.207 0.843 -6.980 1.00 3.24 H new ATOM 0 HA TYR A 119 15.077 3.147 -5.335 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.503 1.108 -3.970 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.692 0.197 -4.880 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.550 3.451 -2.972 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.768 -0.083 -3.860 1.00 12.04 H new ATOM 0 HE1 TYR A 119 17.299 4.153 -1.392 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.513 0.613 -2.284 1.00 63.42 H new ATOM 0 HH TYR A 119 20.202 2.140 -0.839 1.00 61.11 H new ATOM 2087 N GLU A 120 16.981 3.367 -6.894 1.00 75.32 N ATOM 2088 CA GLU A 120 18.194 3.563 -7.696 1.00 60.12 C ATOM 2089 C GLU A 120 18.190 2.701 -8.965 1.00 55.22 C ATOM 2090 O GLU A 120 19.053 1.839 -9.145 1.00 34.55 O ATOM 2091 CB GLU A 120 19.455 3.272 -6.862 1.00 12.03 C ATOM 2092 CG GLU A 120 19.236 3.286 -5.354 1.00 34.31 C ATOM 2093 CD GLU A 120 19.095 4.686 -4.791 1.00 12.43 C ATOM 2094 OE1 GLU A 120 20.126 5.374 -4.646 1.00 65.54 O ATOM 2095 OE2 GLU A 120 17.953 5.093 -4.488 1.00 2.14 O ATOM 0 H GLU A 120 16.522 4.236 -6.621 1.00 75.32 H new ATOM 0 HA GLU A 120 18.206 4.608 -8.005 1.00 60.12 H new ATOM 0 HB2 GLU A 120 19.848 2.297 -7.150 1.00 12.03 H new ATOM 0 HB3 GLU A 120 20.218 4.009 -7.112 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.340 2.713 -5.117 1.00 34.31 H new ATOM 0 HG3 GLU A 120 20.073 2.786 -4.866 1.00 34.31 H new ATOM 2102 N GLY A 121 17.216 2.946 -9.842 1.00 2.31 N ATOM 2103 CA GLY A 121 17.119 2.196 -11.088 1.00 60.42 C ATOM 2104 C GLY A 121 16.738 0.739 -10.883 1.00 63.33 C ATOM 2105 O GLY A 121 17.066 -0.113 -11.710 1.00 25.31 O ATOM 0 H GLY A 121 16.491 3.652 -9.712 1.00 2.31 H new ATOM 0 HA2 GLY A 121 16.380 2.671 -11.733 1.00 60.42 H new ATOM 0 HA3 GLY A 121 18.075 2.245 -11.609 1.00 60.42 H new ATOM 2109 N VAL A 122 16.043 0.453 -9.783 1.00 64.25 N ATOM 2110 CA VAL A 122 15.618 -0.905 -9.473 1.00 73.12 C ATOM 2111 C VAL A 122 14.128 -0.938 -9.156 1.00 72.41 C ATOM 2112 O VAL A 122 13.709 -0.595 -8.048 1.00 60.51 O ATOM 2113 CB VAL A 122 16.417 -1.481 -8.286 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.964 -2.894 -7.957 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.909 -1.451 -8.585 1.00 52.32 C ATOM 0 H VAL A 122 15.763 1.149 -9.091 1.00 64.25 H new ATOM 0 HA VAL A 122 15.811 -1.522 -10.351 1.00 73.12 H new ATOM 0 HB VAL A 122 16.226 -0.856 -7.413 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.544 -3.276 -7.117 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.906 -2.885 -7.694 1.00 42.44 H new ATOM 0 HG13 VAL A 122 16.117 -3.536 -8.824 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.458 -1.861 -7.737 1.00 52.32 H new ATOM 0 HG22 VAL A 122 18.114 -2.048 -9.473 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.225 -0.422 -8.759 1.00 52.32 H new ATOM 2125 N GLU A 123 13.333 -1.340 -10.143 1.00 34.40 N ATOM 2126 CA GLU A 123 11.890 -1.408 -9.986 1.00 3.04 C ATOM 2127 C GLU A 123 11.441 -2.813 -9.588 1.00 64.34 C ATOM 2128 O GLU A 123 11.434 -3.736 -10.408 1.00 64.33 O ATOM 2129 CB GLU A 123 11.201 -0.968 -11.279 1.00 24.20 C ATOM 2130 CG GLU A 123 9.724 -0.657 -11.110 1.00 63.23 C ATOM 2131 CD GLU A 123 8.833 -1.794 -11.570 1.00 73.42 C ATOM 2132 OE1 GLU A 123 8.647 -2.756 -10.796 1.00 12.54 O ATOM 2133 OE2 GLU A 123 8.320 -1.723 -12.706 1.00 33.14 O ATOM 0 H GLU A 123 13.669 -1.624 -11.063 1.00 34.40 H new ATOM 0 HA GLU A 123 11.602 -0.730 -9.183 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.707 -0.084 -11.667 1.00 24.20 H new ATOM 0 HB3 GLU A 123 11.314 -1.754 -12.026 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.519 -0.441 -10.061 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.479 0.243 -11.674 1.00 63.23 H new ATOM 2140 N ALA A 124 11.062 -2.957 -8.321 1.00 44.34 N ATOM 2141 CA ALA A 124 10.592 -4.230 -7.783 1.00 12.21 C ATOM 2142 C ALA A 124 9.173 -4.080 -7.242 1.00 3.45 C ATOM 2143 O ALA A 124 8.770 -2.982 -6.859 1.00 11.22 O ATOM 2144 CB ALA A 124 11.529 -4.716 -6.687 1.00 24.12 C ATOM 0 H ALA A 124 11.072 -2.197 -7.640 1.00 44.34 H new ATOM 0 HA ALA A 124 10.583 -4.969 -8.584 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.167 -5.666 -6.294 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.530 -4.850 -7.097 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.562 -3.980 -5.884 1.00 24.12 H new ATOM 2150 N LYS A 125 8.412 -5.175 -7.211 1.00 23.22 N ATOM 2151 CA LYS A 125 7.036 -5.117 -6.710 1.00 45.24 C ATOM 2152 C LYS A 125 6.609 -6.409 -6.015 1.00 34.12 C ATOM 2153 O LYS A 125 6.975 -7.511 -6.431 1.00 3.13 O ATOM 2154 CB LYS A 125 6.035 -4.796 -7.836 1.00 74.41 C ATOM 2155 CG LYS A 125 6.604 -4.870 -9.248 1.00 13.30 C ATOM 2156 CD LYS A 125 6.882 -6.307 -9.673 1.00 4.11 C ATOM 2157 CE LYS A 125 6.093 -6.691 -10.920 1.00 12.33 C ATOM 2158 NZ LYS A 125 6.980 -7.108 -12.046 1.00 1.01 N ATOM 0 H LYS A 125 8.717 -6.098 -7.521 1.00 23.22 H new ATOM 0 HA LYS A 125 7.025 -4.312 -5.975 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.196 -5.487 -7.763 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.638 -3.794 -7.673 1.00 74.41 H new ATOM 0 HG2 LYS A 125 5.903 -4.414 -9.947 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.526 -4.291 -9.299 1.00 13.30 H new ATOM 0 HD2 LYS A 125 7.948 -6.430 -9.865 1.00 4.11 H new ATOM 0 HD3 LYS A 125 6.625 -6.983 -8.858 1.00 4.11 H new ATOM 0 HE2 LYS A 125 5.409 -7.505 -10.678 1.00 12.33 H new ATOM 0 HE3 LYS A 125 5.482 -5.845 -11.236 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 6.549 -7.909 -12.549 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 7.103 -6.312 -12.704 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 7.907 -7.394 -11.670 1.00 1.01 H new ATOM 2172 N ARG A 126 5.796 -6.246 -4.970 1.00 62.24 N ATOM 2173 CA ARG A 126 5.254 -7.366 -4.205 1.00 12.32 C ATOM 2174 C ARG A 126 3.765 -7.494 -4.501 1.00 62.22 C ATOM 2175 O ARG A 126 3.016 -6.520 -4.385 1.00 33.43 O ATOM 2176 CB ARG A 126 5.471 -7.150 -2.706 1.00 44.04 C ATOM 2177 CG ARG A 126 5.294 -8.415 -1.881 1.00 2.12 C ATOM 2178 CD ARG A 126 6.631 -8.984 -1.430 1.00 11.30 C ATOM 2179 NE ARG A 126 6.758 -8.990 0.026 1.00 11.52 N ATOM 2180 CZ ARG A 126 7.902 -9.203 0.677 1.00 5.52 C ATOM 2181 NH1 ARG A 126 9.031 -9.426 0.007 1.00 3.04 N ATOM 2182 NH2 ARG A 126 7.915 -9.188 2.006 1.00 62.22 N ATOM 0 H ARG A 126 5.496 -5.332 -4.631 1.00 62.24 H new ATOM 0 HA ARG A 126 5.770 -8.281 -4.496 1.00 12.32 H new ATOM 0 HB2 ARG A 126 6.475 -6.758 -2.545 1.00 44.04 H new ATOM 0 HB3 ARG A 126 4.772 -6.393 -2.351 1.00 44.04 H new ATOM 0 HG2 ARG A 126 4.678 -8.197 -1.008 1.00 2.12 H new ATOM 0 HG3 ARG A 126 4.761 -9.162 -2.469 1.00 2.12 H new ATOM 0 HD2 ARG A 126 6.739 -10.001 -1.808 1.00 11.30 H new ATOM 0 HD3 ARG A 126 7.440 -8.396 -1.863 1.00 11.30 H new ATOM 0 HE ARG A 126 5.918 -8.820 0.579 1.00 11.52 H new ATOM 0 HH11 ARG A 126 9.025 -9.435 -1.013 1.00 3.04 H new ATOM 0 HH12 ARG A 126 9.901 -9.588 0.514 1.00 3.04 H new ATOM 0 HH21 ARG A 126 7.053 -9.014 2.523 1.00 62.22 H new ATOM 0 HH22 ARG A 126 8.787 -9.350 2.509 1.00 62.22 H new ATOM 2196 N ILE A 127 3.339 -8.689 -4.893 1.00 60.44 N ATOM 2197 CA ILE A 127 1.937 -8.928 -5.212 1.00 55.24 C ATOM 2198 C ILE A 127 1.246 -9.676 -4.082 1.00 34.20 C ATOM 2199 O ILE A 127 1.563 -10.835 -3.803 1.00 73.23 O ATOM 2200 CB ILE A 127 1.777 -9.718 -6.527 1.00 21.42 C ATOM 2201 CG1 ILE A 127 2.527 -9.017 -7.662 1.00 53.42 C ATOM 2202 CG2 ILE A 127 0.303 -9.880 -6.877 1.00 53.35 C ATOM 2203 CD1 ILE A 127 3.788 -9.736 -8.087 1.00 20.21 C ATOM 0 H ILE A 127 3.942 -9.505 -4.997 1.00 60.44 H new ATOM 0 HA ILE A 127 1.468 -7.952 -5.339 1.00 55.24 H new ATOM 0 HB ILE A 127 2.206 -10.711 -6.391 1.00 21.42 H new ATOM 0 HG12 ILE A 127 1.864 -8.924 -8.522 1.00 53.42 H new ATOM 0 HG13 ILE A 127 2.784 -8.006 -7.347 1.00 53.42 H new ATOM 0 HG21 ILE A 127 0.209 -10.440 -7.808 1.00 53.35 H new ATOM 0 HG22 ILE A 127 -0.204 -10.419 -6.077 1.00 53.35 H new ATOM 0 HG23 ILE A 127 -0.153 -8.897 -6.997 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.268 -9.183 -8.895 1.00 20.21 H new ATOM 0 HD12 ILE A 127 4.470 -9.806 -7.240 1.00 20.21 H new ATOM 0 HD13 ILE A 127 3.536 -10.738 -8.433 1.00 20.21 H new ATOM 2215 N PHE A 128 0.303 -9.002 -3.435 1.00 4.04 N ATOM 2216 CA PHE A 128 -0.436 -9.597 -2.332 1.00 24.12 C ATOM 2217 C PHE A 128 -1.791 -10.109 -2.805 1.00 12.40 C ATOM 2218 O PHE A 128 -2.566 -9.371 -3.418 1.00 74.43 O ATOM 2219 CB PHE A 128 -0.640 -8.580 -1.204 1.00 12.01 C ATOM 2220 CG PHE A 128 0.607 -7.834 -0.817 1.00 34.22 C ATOM 2221 CD1 PHE A 128 1.447 -8.325 0.169 1.00 33.20 C ATOM 2222 CD2 PHE A 128 0.937 -6.640 -1.440 1.00 54.02 C ATOM 2223 CE1 PHE A 128 2.593 -7.640 0.526 1.00 64.21 C ATOM 2224 CE2 PHE A 128 2.081 -5.951 -1.087 1.00 45.01 C ATOM 2225 CZ PHE A 128 2.910 -6.452 -0.102 1.00 14.11 C ATOM 0 H PHE A 128 0.033 -8.044 -3.656 1.00 4.04 H new ATOM 0 HA PHE A 128 0.149 -10.435 -1.954 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -1.400 -7.861 -1.510 1.00 12.01 H new ATOM 0 HB3 PHE A 128 -1.027 -9.099 -0.327 1.00 12.01 H new ATOM 0 HD1 PHE A 128 1.204 -9.253 0.664 1.00 33.20 H new ATOM 0 HD2 PHE A 128 0.292 -6.244 -2.210 1.00 54.02 H new ATOM 0 HE1 PHE A 128 3.240 -8.034 1.296 1.00 64.21 H new ATOM 0 HE2 PHE A 128 2.327 -5.022 -1.580 1.00 45.01 H new ATOM 0 HZ PHE A 128 3.805 -5.915 0.176 1.00 14.11 H new ATOM 2235 N LYS A 129 -2.075 -11.369 -2.498 1.00 52.01 N ATOM 2236 CA LYS A 129 -3.344 -11.989 -2.872 1.00 61.23 C ATOM 2237 C LYS A 129 -4.212 -12.154 -1.627 1.00 52.55 C ATOM 2238 O LYS A 129 -3.701 -12.444 -0.544 1.00 32.11 O ATOM 2239 CB LYS A 129 -3.091 -13.347 -3.544 1.00 5.34 C ATOM 2240 CG LYS A 129 -4.308 -14.263 -3.611 1.00 21.43 C ATOM 2241 CD LYS A 129 -3.983 -15.656 -3.087 1.00 54.41 C ATOM 2242 CE LYS A 129 -3.765 -15.651 -1.579 1.00 61.32 C ATOM 2243 NZ LYS A 129 -2.507 -16.344 -1.181 1.00 60.31 N ATOM 0 H LYS A 129 -1.442 -11.985 -1.989 1.00 52.01 H new ATOM 0 HA LYS A 129 -3.866 -11.351 -3.585 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -2.728 -13.173 -4.557 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -2.296 -13.861 -3.004 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -5.122 -13.833 -3.027 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -4.657 -14.332 -4.641 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -4.796 -16.338 -3.335 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -3.089 -16.033 -3.583 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -3.737 -14.621 -1.223 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -4.612 -16.134 -1.091 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -2.318 -16.169 -0.173 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -2.608 -17.367 -1.341 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -1.716 -15.981 -1.750 1.00 60.31 H new ATOM 2257 N LYS A 130 -5.521 -11.938 -1.784 1.00 40.21 N ATOM 2258 CA LYS A 130 -6.463 -12.033 -0.663 1.00 43.41 C ATOM 2259 C LYS A 130 -6.172 -13.235 0.223 1.00 13.11 C ATOM 2260 O LYS A 130 -5.782 -14.300 -0.254 1.00 23.14 O ATOM 2261 CB LYS A 130 -7.904 -12.133 -1.141 1.00 53.25 C ATOM 2262 CG LYS A 130 -8.307 -11.071 -2.152 1.00 51.34 C ATOM 2263 CD LYS A 130 -8.840 -9.830 -1.457 1.00 25.40 C ATOM 2264 CE LYS A 130 -9.744 -9.022 -2.371 1.00 34.45 C ATOM 2265 NZ LYS A 130 -11.090 -9.643 -2.522 1.00 32.53 N ATOM 0 H LYS A 130 -5.953 -11.696 -2.676 1.00 40.21 H new ATOM 0 HA LYS A 130 -6.331 -11.116 -0.088 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -8.059 -13.117 -1.584 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -8.566 -12.065 -0.278 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -7.448 -10.806 -2.768 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -9.068 -11.472 -2.822 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -9.392 -10.122 -0.563 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -8.006 -9.210 -1.128 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -9.853 -8.013 -1.972 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -9.277 -8.928 -3.351 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -11.711 -9.001 -3.055 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -11.001 -10.544 -3.034 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -11.499 -9.818 -1.582 1.00 32.53 H new ATOM 2279 N ASP A 131 -6.383 -13.050 1.513 1.00 33.44 N ATOM 2280 CA ASP A 131 -6.160 -14.108 2.486 1.00 55.01 C ATOM 2281 C ASP A 131 -7.459 -14.495 3.186 1.00 62.41 C ATOM 2282 O ASP A 131 -8.159 -13.585 3.683 1.00 62.41 O ATOM 2283 CB ASP A 131 -5.114 -13.674 3.519 1.00 0.44 C ATOM 2284 CG ASP A 131 -4.289 -14.837 4.051 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -4.598 -16.003 3.720 1.00 75.41 O ATOM 2286 OD2 ASP A 131 -3.329 -14.579 4.805 1.00 15.32 O ATOM 2287 OXT ASP A 131 -7.765 -15.704 3.236 1.00 62.41 O ATOM 0 H ASP A 131 -6.711 -12.172 1.915 1.00 33.44 H new ATOM 0 HA ASP A 131 -5.788 -14.981 1.951 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -4.448 -12.939 3.067 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -5.616 -13.180 4.351 1.00 0.44 H new