USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 636 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 68 CYS SG : rot -116:sc= 1.7 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0.422 USER MOD Set 2.1: A 49 SER OG : rot 140:sc= 1 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -4.83! C(o=-3.8!,f=-19!) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 GLN : amide:sc= -1.38 K(o=-4.2,f=-1.6) USER MOD Set 3.3: A 24 GLN : amide:sc= -2.83! C(o=-4.2!,f=-1.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -149:sc= -0.26 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.71 (180deg=0.136!) USER MOD Single : A 16 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 17 MET CE :methyl 150:sc= -6.9! (180deg=-13.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= -0.0504 (180deg=-0.0666) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -150:sc= 0.492 USER MOD Single : A 41 SER OG : rot 180:sc= -0.256 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0277) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 110:sc= -1.16 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.11 (180deg=-0.863) USER MOD Single : A 54 SER OG : rot 39:sc= 0.786 USER MOD Single : A 55 THR OG1 : rot 161:sc= -2.17! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 103:sc= -4.44! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 72 GLN : amide:sc= -0.711 K(o=-0.71,f=-2.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.88! C(o=-5.9!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-3.3) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -52:sc= -0.0699! USER MOD Single : A 106 TYR OH : rot 180:sc=-0.00172 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.162 2.786 -11.918 1.00 0.00 N ATOM 151 CA GLU A 11 -3.883 3.567 -10.869 1.00 0.00 C ATOM 152 C GLU A 11 -3.263 3.318 -9.494 1.00 0.00 C ATOM 153 O GLU A 11 -2.978 4.237 -8.751 1.00 0.00 O ATOM 154 CB GLU A 11 -5.318 3.037 -10.884 1.00 0.00 C ATOM 155 CG GLU A 11 -6.289 4.175 -10.581 1.00 0.00 C ATOM 156 CD GLU A 11 -6.607 4.936 -11.870 1.00 0.00 C ATOM 157 OE1 GLU A 11 -5.775 5.724 -12.290 1.00 0.00 O ATOM 158 OE2 GLU A 11 -7.676 4.716 -12.417 1.00 0.00 O ATOM 0 HA GLU A 11 -3.831 4.638 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.545 2.602 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.431 2.243 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.206 3.778 -10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.854 4.851 -9.845 1.00 0.00 H new ATOM 165 N TRP A 12 -3.076 2.075 -9.147 1.00 0.00 N ATOM 166 CA TRP A 12 -2.503 1.732 -7.813 1.00 0.00 C ATOM 167 C TRP A 12 -1.198 2.484 -7.547 1.00 0.00 C ATOM 168 O TRP A 12 -0.802 2.657 -6.414 1.00 0.00 O ATOM 169 CB TRP A 12 -2.250 0.222 -7.860 1.00 0.00 C ATOM 170 CG TRP A 12 -1.326 -0.103 -8.992 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.719 -0.474 -10.233 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.130 -0.099 -9.009 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.596 -0.696 -11.010 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.568 -0.479 -10.300 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.105 0.194 -8.039 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.924 -0.564 -10.618 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.471 0.110 -8.355 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.879 -0.269 -9.642 1.00 0.00 C ATOM 0 H TRP A 12 -3.298 1.273 -9.737 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.182 2.015 -7.009 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.817 -0.113 -6.917 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.193 -0.310 -7.984 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.742 -0.579 -10.563 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.625 -0.985 -11.988 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.801 0.486 -7.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.233 -0.856 -11.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.211 0.339 -7.603 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.931 -0.333 -9.879 1.00 0.00 H new ATOM 189 N TYR A 13 -0.522 2.929 -8.567 1.00 0.00 N ATOM 190 CA TYR A 13 0.762 3.657 -8.331 1.00 0.00 C ATOM 191 C TYR A 13 0.496 5.132 -8.019 1.00 0.00 C ATOM 192 O TYR A 13 -0.172 5.826 -8.760 1.00 0.00 O ATOM 193 CB TYR A 13 1.556 3.518 -9.628 1.00 0.00 C ATOM 194 CG TYR A 13 2.969 3.999 -9.395 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.239 5.371 -9.327 1.00 0.00 C ATOM 196 CD2 TYR A 13 4.008 3.073 -9.242 1.00 0.00 C ATOM 197 CE1 TYR A 13 4.548 5.817 -9.106 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.317 3.519 -9.022 1.00 0.00 C ATOM 199 CZ TYR A 13 5.586 4.891 -8.954 1.00 0.00 C ATOM 200 OH TYR A 13 6.876 5.331 -8.737 1.00 0.00 O ATOM 0 H TYR A 13 -0.795 2.824 -9.544 1.00 0.00 H new ATOM 0 HA TYR A 13 1.306 3.248 -7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.562 2.479 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.086 4.100 -10.421 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.438 6.086 -9.445 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.800 2.015 -9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.756 6.875 -9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.119 2.805 -8.905 1.00 0.00 H new ATOM 0 HH TYR A 13 7.475 4.560 -8.652 1.00 0.00 H new ATOM 210 N SER A 14 1.023 5.612 -6.922 1.00 0.00 N ATOM 211 CA SER A 14 0.812 7.041 -6.549 1.00 0.00 C ATOM 212 C SER A 14 2.147 7.688 -6.171 1.00 0.00 C ATOM 213 O SER A 14 2.915 7.148 -5.398 1.00 0.00 O ATOM 214 CB SER A 14 -0.126 7.008 -5.344 1.00 0.00 C ATOM 215 OG SER A 14 -1.080 5.968 -5.517 1.00 0.00 O ATOM 0 H SER A 14 1.591 5.074 -6.268 1.00 0.00 H new ATOM 0 HA SER A 14 0.395 7.623 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.444 6.845 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.633 7.967 -5.237 1.00 0.00 H new ATOM 0 HG SER A 14 -1.920 6.218 -5.079 1.00 0.00 H new ATOM 221 N LYS A 15 2.432 8.833 -6.724 1.00 0.00 N ATOM 222 CA LYS A 15 3.724 9.520 -6.420 1.00 0.00 C ATOM 223 C LYS A 15 3.739 10.132 -5.003 1.00 0.00 C ATOM 224 O LYS A 15 3.213 11.191 -4.751 1.00 0.00 O ATOM 225 CB LYS A 15 3.878 10.589 -7.523 1.00 0.00 C ATOM 226 CG LYS A 15 3.090 11.867 -7.195 1.00 0.00 C ATOM 227 CD LYS A 15 1.652 11.515 -6.808 1.00 0.00 C ATOM 228 CE LYS A 15 1.007 12.699 -6.089 1.00 0.00 C ATOM 229 NZ LYS A 15 1.147 12.375 -4.640 1.00 0.00 N ATOM 0 H LYS A 15 1.824 9.327 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 15 4.561 8.822 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.933 10.834 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.532 10.183 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.574 12.402 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.090 12.534 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.077 11.261 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.644 10.637 -6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.508 13.635 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.040 12.813 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.985 13.233 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.449 11.650 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.105 12.015 -4.456 1.00 0.00 H new ATOM 243 N HIS A 16 4.361 9.461 -4.076 1.00 0.00 N ATOM 244 CA HIS A 16 4.444 9.980 -2.676 1.00 0.00 C ATOM 245 C HIS A 16 3.047 10.223 -2.106 1.00 0.00 C ATOM 246 O HIS A 16 2.759 11.274 -1.567 1.00 0.00 O ATOM 247 CB HIS A 16 5.226 11.292 -2.775 1.00 0.00 C ATOM 248 CG HIS A 16 6.620 11.010 -3.267 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.679 10.793 -2.401 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.143 10.908 -4.532 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.775 10.572 -3.149 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.504 10.632 -4.455 1.00 0.00 N ATOM 0 H HIS A 16 4.822 8.564 -4.227 1.00 0.00 H new ATOM 0 HA HIS A 16 4.931 9.269 -2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.721 11.978 -3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.264 11.779 -1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.583 11.024 -5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.755 10.371 -2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.155 10.503 -5.230 1.00 0.00 H new ATOM 260 N MET A 17 2.185 9.252 -2.209 1.00 0.00 N ATOM 261 CA MET A 17 0.807 9.413 -1.662 1.00 0.00 C ATOM 262 C MET A 17 0.822 9.165 -0.150 1.00 0.00 C ATOM 263 O MET A 17 1.218 8.114 0.312 1.00 0.00 O ATOM 264 CB MET A 17 -0.029 8.351 -2.380 1.00 0.00 C ATOM 265 CG MET A 17 -1.464 8.377 -1.850 1.00 0.00 C ATOM 266 SD MET A 17 -2.370 6.947 -2.494 1.00 0.00 S ATOM 267 CE MET A 17 -1.337 5.666 -1.742 1.00 0.00 C ATOM 0 H MET A 17 2.374 8.351 -2.649 1.00 0.00 H new ATOM 0 HA MET A 17 0.405 10.414 -1.819 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.025 8.536 -3.454 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.408 7.365 -2.225 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.461 8.359 -0.760 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.958 9.300 -2.152 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.943 4.783 -1.540 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.529 5.403 -2.424 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.917 6.039 -0.808 1.00 0.00 H new ATOM 277 N THR A 18 0.404 10.134 0.620 1.00 0.00 N ATOM 278 CA THR A 18 0.403 9.969 2.106 1.00 0.00 C ATOM 279 C THR A 18 -0.402 8.734 2.523 1.00 0.00 C ATOM 280 O THR A 18 -1.419 8.414 1.939 1.00 0.00 O ATOM 281 CB THR A 18 -0.258 11.236 2.646 1.00 0.00 C ATOM 282 OG1 THR A 18 0.295 12.371 1.994 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.007 11.335 4.149 1.00 0.00 C ATOM 0 H THR A 18 0.062 11.035 0.285 1.00 0.00 H new ATOM 0 HA THR A 18 1.412 9.828 2.494 1.00 0.00 H new ATOM 0 HB THR A 18 -1.331 11.199 2.459 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.129 13.185 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.477 12.238 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.430 10.462 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.066 11.375 4.337 1.00 0.00 H new ATOM 291 N ARG A 19 0.046 8.047 3.542 1.00 0.00 N ATOM 292 CA ARG A 19 -0.687 6.836 4.024 1.00 0.00 C ATOM 293 C ARG A 19 -2.157 7.177 4.271 1.00 0.00 C ATOM 294 O ARG A 19 -3.053 6.398 3.997 1.00 0.00 O ATOM 295 CB ARG A 19 -0.006 6.471 5.350 1.00 0.00 C ATOM 296 CG ARG A 19 -0.289 7.559 6.400 1.00 0.00 C ATOM 297 CD ARG A 19 0.587 7.321 7.633 1.00 0.00 C ATOM 298 NE ARG A 19 -0.280 7.667 8.793 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.089 7.088 9.947 1.00 0.00 C ATOM 300 NH1 ARG A 19 1.111 7.031 10.457 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.097 6.566 10.591 1.00 0.00 N ATOM 0 H ARG A 19 0.892 8.273 4.064 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.659 6.020 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.372 5.507 5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.069 6.368 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.086 8.545 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.342 7.543 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.922 6.285 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.481 7.944 7.608 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.024 8.357 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.899 7.439 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.261 6.579 11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.035 6.610 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.947 6.114 11.493 1.00 0.00 H new ATOM 315 N SER A 20 -2.394 8.342 4.794 1.00 0.00 N ATOM 316 CA SER A 20 -3.780 8.774 5.087 1.00 0.00 C ATOM 317 C SER A 20 -4.502 9.094 3.779 1.00 0.00 C ATOM 318 O SER A 20 -5.673 8.809 3.623 1.00 0.00 O ATOM 319 CB SER A 20 -3.603 10.008 5.973 1.00 0.00 C ATOM 320 OG SER A 20 -4.412 11.074 5.491 1.00 0.00 O ATOM 0 H SER A 20 -1.674 9.023 5.034 1.00 0.00 H new ATOM 0 HA SER A 20 -4.386 8.016 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.876 9.770 7.001 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.556 10.311 5.983 1.00 0.00 H new ATOM 0 HG SER A 20 -4.294 11.860 6.065 1.00 0.00 H new ATOM 326 N GLN A 21 -3.808 9.658 2.825 1.00 0.00 N ATOM 327 CA GLN A 21 -4.455 9.959 1.518 1.00 0.00 C ATOM 328 C GLN A 21 -4.933 8.654 0.895 1.00 0.00 C ATOM 329 O GLN A 21 -6.029 8.570 0.380 1.00 0.00 O ATOM 330 CB GLN A 21 -3.370 10.613 0.663 1.00 0.00 C ATOM 331 CG GLN A 21 -3.191 12.069 1.095 1.00 0.00 C ATOM 332 CD GLN A 21 -4.117 12.964 0.271 1.00 0.00 C ATOM 333 OE1 GLN A 21 -3.808 13.306 -0.853 1.00 0.00 O ATOM 334 NE2 GLN A 21 -5.248 13.361 0.785 1.00 0.00 N ATOM 0 H GLN A 21 -2.825 9.922 2.896 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.320 10.616 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.430 10.072 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.644 10.566 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.416 12.175 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.154 12.375 0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.508 13.074 1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.873 13.958 0.243 1.00 0.00 H new ATOM 343 N ALA A 22 -4.130 7.623 0.962 1.00 0.00 N ATOM 344 CA ALA A 22 -4.565 6.320 0.401 1.00 0.00 C ATOM 345 C ALA A 22 -5.766 5.832 1.200 1.00 0.00 C ATOM 346 O ALA A 22 -6.754 5.407 0.647 1.00 0.00 O ATOM 347 CB ALA A 22 -3.376 5.367 0.568 1.00 0.00 C ATOM 0 H ALA A 22 -3.199 7.632 1.379 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.855 6.386 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.637 4.386 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.516 5.760 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.128 5.276 1.626 1.00 0.00 H new ATOM 353 N GLU A 23 -5.692 5.916 2.502 1.00 0.00 N ATOM 354 CA GLU A 23 -6.838 5.475 3.350 1.00 0.00 C ATOM 355 C GLU A 23 -8.121 6.198 2.934 1.00 0.00 C ATOM 356 O GLU A 23 -9.131 5.577 2.666 1.00 0.00 O ATOM 357 CB GLU A 23 -6.459 5.874 4.778 1.00 0.00 C ATOM 358 CG GLU A 23 -5.563 4.801 5.396 1.00 0.00 C ATOM 359 CD GLU A 23 -5.839 4.699 6.899 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.957 4.978 7.299 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.926 4.341 7.625 1.00 0.00 O ATOM 0 H GLU A 23 -4.886 6.272 3.016 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.022 4.405 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.942 6.833 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.358 6.001 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.748 3.840 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.515 5.046 5.225 1.00 0.00 H new ATOM 368 N GLN A 24 -8.098 7.505 2.892 1.00 0.00 N ATOM 369 CA GLN A 24 -9.330 8.248 2.511 1.00 0.00 C ATOM 370 C GLN A 24 -9.715 7.956 1.063 1.00 0.00 C ATOM 371 O GLN A 24 -10.858 7.652 0.784 1.00 0.00 O ATOM 372 CB GLN A 24 -9.024 9.735 2.720 1.00 0.00 C ATOM 373 CG GLN A 24 -7.854 10.176 1.840 1.00 0.00 C ATOM 374 CD GLN A 24 -7.477 11.617 2.185 1.00 0.00 C ATOM 375 OE1 GLN A 24 -6.821 11.864 3.178 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.864 12.587 1.403 1.00 0.00 N ATOM 0 H GLN A 24 -7.285 8.084 3.104 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.180 7.941 3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.907 10.329 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.787 9.919 3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.999 9.517 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.127 10.102 0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.415 12.381 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.616 13.551 1.625 1.00 0.00 H new ATOM 385 N LEU A 25 -8.798 8.026 0.129 1.00 0.00 N ATOM 386 CA LEU A 25 -9.205 7.724 -1.268 1.00 0.00 C ATOM 387 C LEU A 25 -9.532 6.238 -1.389 1.00 0.00 C ATOM 388 O LEU A 25 -10.291 5.838 -2.245 1.00 0.00 O ATOM 389 CB LEU A 25 -8.045 8.137 -2.181 1.00 0.00 C ATOM 390 CG LEU A 25 -6.810 7.278 -1.911 1.00 0.00 C ATOM 391 CD1 LEU A 25 -6.876 6.007 -2.763 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.552 8.077 -2.280 1.00 0.00 C ATOM 0 H LEU A 25 -7.818 8.271 0.270 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.100 8.273 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.343 8.035 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.805 9.188 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.776 7.004 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.995 5.394 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.773 5.444 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.906 6.278 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.667 7.470 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.588 8.345 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.507 8.984 -1.677 1.00 0.00 H new ATOM 404 N LEU A 26 -9.005 5.419 -0.512 1.00 0.00 N ATOM 405 CA LEU A 26 -9.344 3.971 -0.570 1.00 0.00 C ATOM 406 C LEU A 26 -10.757 3.795 -0.014 1.00 0.00 C ATOM 407 O LEU A 26 -11.651 3.341 -0.699 1.00 0.00 O ATOM 408 CB LEU A 26 -8.320 3.260 0.318 1.00 0.00 C ATOM 409 CG LEU A 26 -7.139 2.767 -0.531 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.057 2.179 0.378 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.615 1.683 -1.504 1.00 0.00 C ATOM 0 H LEU A 26 -8.362 5.690 0.232 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.316 3.566 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.963 3.940 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.790 2.418 0.826 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.732 3.609 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.221 1.831 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.708 2.945 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.470 1.342 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.773 1.337 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.028 0.846 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.383 2.094 -2.160 1.00 0.00 H new ATOM 423 N LYS A 27 -10.970 4.182 1.223 1.00 0.00 N ATOM 424 CA LYS A 27 -12.335 4.065 1.821 1.00 0.00 C ATOM 425 C LYS A 27 -13.362 4.752 0.912 1.00 0.00 C ATOM 426 O LYS A 27 -14.438 4.238 0.676 1.00 0.00 O ATOM 427 CB LYS A 27 -12.243 4.790 3.165 1.00 0.00 C ATOM 428 CG LYS A 27 -12.936 3.956 4.247 1.00 0.00 C ATOM 429 CD LYS A 27 -13.677 4.883 5.213 1.00 0.00 C ATOM 430 CE LYS A 27 -14.810 4.110 5.895 1.00 0.00 C ATOM 431 NZ LYS A 27 -14.167 3.432 7.055 1.00 0.00 N ATOM 0 H LYS A 27 -10.258 4.572 1.841 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.650 3.028 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.199 4.953 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.711 5.772 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.636 3.257 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.201 3.362 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.987 5.273 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.080 5.740 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.606 4.780 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.260 3.387 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.865 2.827 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.374 2.848 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.813 4.147 7.722 1.00 0.00 H new ATOM 445 N GLN A 28 -13.033 5.910 0.403 1.00 0.00 N ATOM 446 CA GLN A 28 -13.987 6.635 -0.490 1.00 0.00 C ATOM 447 C GLN A 28 -14.199 5.862 -1.799 1.00 0.00 C ATOM 448 O GLN A 28 -15.302 5.783 -2.304 1.00 0.00 O ATOM 449 CB GLN A 28 -13.335 7.991 -0.762 1.00 0.00 C ATOM 450 CG GLN A 28 -14.406 8.987 -1.212 1.00 0.00 C ATOM 451 CD GLN A 28 -14.051 10.385 -0.703 1.00 0.00 C ATOM 452 OE1 GLN A 28 -13.570 11.213 -1.451 1.00 0.00 O ATOM 453 NE2 GLN A 28 -14.267 10.685 0.548 1.00 0.00 N ATOM 0 H GLN A 28 -12.146 6.386 0.566 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.970 6.743 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.838 8.355 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.569 7.891 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.478 8.992 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.381 8.686 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.671 9.991 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.032 11.614 0.898 1.00 0.00 H new ATOM 462 N GLU A 29 -13.159 5.281 -2.349 1.00 0.00 N ATOM 463 CA GLU A 29 -13.321 4.504 -3.618 1.00 0.00 C ATOM 464 C GLU A 29 -14.405 3.448 -3.412 1.00 0.00 C ATOM 465 O GLU A 29 -15.201 3.174 -4.290 1.00 0.00 O ATOM 466 CB GLU A 29 -11.959 3.851 -3.887 1.00 0.00 C ATOM 467 CG GLU A 29 -11.762 3.659 -5.393 1.00 0.00 C ATOM 468 CD GLU A 29 -10.856 4.763 -5.945 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.693 5.766 -5.269 1.00 0.00 O ATOM 470 OE2 GLU A 29 -10.342 4.587 -7.037 1.00 0.00 O ATOM 0 H GLU A 29 -12.210 5.311 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.620 5.128 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.161 4.474 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.900 2.889 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.320 2.682 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.726 3.680 -5.900 1.00 0.00 H new ATOM 477 N GLY A 30 -14.455 2.877 -2.238 1.00 0.00 N ATOM 478 CA GLY A 30 -15.499 1.865 -1.943 1.00 0.00 C ATOM 479 C GLY A 30 -15.217 0.569 -2.707 1.00 0.00 C ATOM 480 O GLY A 30 -16.119 -0.156 -3.078 1.00 0.00 O ATOM 0 H GLY A 30 -13.813 3.072 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.528 1.664 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.479 2.253 -2.221 1.00 0.00 H new ATOM 484 N LYS A 31 -13.971 0.281 -2.946 1.00 0.00 N ATOM 485 CA LYS A 31 -13.608 -0.962 -3.691 1.00 0.00 C ATOM 486 C LYS A 31 -13.040 -2.014 -2.735 1.00 0.00 C ATOM 487 O LYS A 31 -12.001 -1.815 -2.139 1.00 0.00 O ATOM 488 CB LYS A 31 -12.520 -0.525 -4.675 1.00 0.00 C ATOM 489 CG LYS A 31 -12.944 0.765 -5.390 1.00 0.00 C ATOM 490 CD LYS A 31 -14.209 0.516 -6.214 1.00 0.00 C ATOM 491 CE LYS A 31 -13.824 0.212 -7.664 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.082 -0.261 -8.304 1.00 0.00 N ATOM 0 H LYS A 31 -13.179 0.855 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.472 -1.405 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.582 -0.364 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.342 -1.314 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.126 1.553 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.140 1.112 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.771 -0.318 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.859 1.390 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.436 1.099 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.045 -0.549 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.899 -0.490 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.424 -1.111 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.803 0.486 -8.247 1.00 0.00 H new ATOM 506 N GLU A 32 -13.696 -3.136 -2.587 1.00 0.00 N ATOM 507 CA GLU A 32 -13.150 -4.177 -1.669 1.00 0.00 C ATOM 508 C GLU A 32 -11.820 -4.697 -2.203 1.00 0.00 C ATOM 509 O GLU A 32 -11.763 -5.690 -2.901 1.00 0.00 O ATOM 510 CB GLU A 32 -14.179 -5.303 -1.610 1.00 0.00 C ATOM 511 CG GLU A 32 -14.569 -5.740 -3.025 1.00 0.00 C ATOM 512 CD GLU A 32 -14.685 -7.264 -3.078 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.759 -7.767 -2.790 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.697 -7.903 -3.402 1.00 0.00 O ATOM 0 H GLU A 32 -14.571 -3.373 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.970 -3.769 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.770 -6.150 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.064 -4.969 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.517 -5.283 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.822 -5.397 -3.741 1.00 0.00 H new ATOM 521 N GLY A 33 -10.746 -4.036 -1.871 1.00 0.00 N ATOM 522 CA GLY A 33 -9.419 -4.488 -2.343 1.00 0.00 C ATOM 523 C GLY A 33 -8.729 -3.391 -3.167 1.00 0.00 C ATOM 524 O GLY A 33 -7.978 -3.676 -4.075 1.00 0.00 O ATOM 0 H GLY A 33 -10.736 -3.198 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.796 -4.754 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.531 -5.388 -2.948 1.00 0.00 H new ATOM 528 N GLY A 34 -8.955 -2.141 -2.866 1.00 0.00 N ATOM 529 CA GLY A 34 -8.276 -1.069 -3.648 1.00 0.00 C ATOM 530 C GLY A 34 -6.777 -1.123 -3.350 1.00 0.00 C ATOM 531 O GLY A 34 -6.322 -0.661 -2.322 1.00 0.00 O ATOM 0 H GLY A 34 -9.573 -1.818 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.455 -1.207 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.680 -0.092 -3.381 1.00 0.00 H new ATOM 535 N PHE A 35 -6.016 -1.706 -4.236 1.00 0.00 N ATOM 536 CA PHE A 35 -4.542 -1.828 -4.017 1.00 0.00 C ATOM 537 C PHE A 35 -3.801 -0.599 -4.560 1.00 0.00 C ATOM 538 O PHE A 35 -3.937 -0.240 -5.712 1.00 0.00 O ATOM 539 CB PHE A 35 -4.159 -3.083 -4.806 1.00 0.00 C ATOM 540 CG PHE A 35 -2.677 -3.349 -4.693 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.767 -2.580 -5.429 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.214 -4.377 -3.865 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.395 -2.840 -5.336 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.841 -4.636 -3.769 1.00 0.00 C ATOM 545 CZ PHE A 35 0.069 -3.868 -4.505 1.00 0.00 C ATOM 0 H PHE A 35 -6.354 -2.107 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.279 -1.893 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.718 -3.940 -4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.433 -2.958 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.124 -1.786 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.916 -4.972 -3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.306 -2.248 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.484 -5.428 -3.127 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.128 -4.068 -4.432 1.00 0.00 H new ATOM 555 N ILE A 36 -3.008 0.038 -3.735 1.00 0.00 N ATOM 556 CA ILE A 36 -2.246 1.235 -4.200 1.00 0.00 C ATOM 557 C ILE A 36 -0.799 1.154 -3.702 1.00 0.00 C ATOM 558 O ILE A 36 -0.485 0.394 -2.811 1.00 0.00 O ATOM 559 CB ILE A 36 -2.962 2.435 -3.578 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.423 2.451 -4.040 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.271 3.726 -4.025 1.00 0.00 C ATOM 562 CD1 ILE A 36 -5.138 3.676 -3.461 1.00 0.00 C ATOM 0 H ILE A 36 -2.856 -0.220 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.210 1.308 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.925 2.360 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.469 2.473 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.926 1.539 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.780 4.583 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.231 3.714 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.310 3.802 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.176 3.682 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.105 3.635 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.642 4.583 -3.805 1.00 0.00 H new ATOM 574 N VAL A 37 0.083 1.933 -4.270 1.00 0.00 N ATOM 575 CA VAL A 37 1.508 1.903 -3.825 1.00 0.00 C ATOM 576 C VAL A 37 2.142 3.286 -3.996 1.00 0.00 C ATOM 577 O VAL A 37 1.778 4.038 -4.881 1.00 0.00 O ATOM 578 CB VAL A 37 2.205 0.884 -4.732 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.660 0.718 -4.285 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.492 -0.467 -4.638 1.00 0.00 C ATOM 0 H VAL A 37 -0.122 2.589 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 37 1.598 1.632 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 37 2.173 1.239 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.158 -0.007 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.173 1.677 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.686 0.365 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.992 -1.188 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.521 -0.823 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.455 -0.354 -4.954 1.00 0.00 H new ATOM 590 N ARG A 38 3.089 3.628 -3.163 1.00 0.00 N ATOM 591 CA ARG A 38 3.744 4.966 -3.289 1.00 0.00 C ATOM 592 C ARG A 38 5.216 4.888 -2.873 1.00 0.00 C ATOM 593 O ARG A 38 5.625 3.991 -2.162 1.00 0.00 O ATOM 594 CB ARG A 38 2.970 5.887 -2.344 1.00 0.00 C ATOM 595 CG ARG A 38 3.008 5.330 -0.917 1.00 0.00 C ATOM 596 CD ARG A 38 4.239 5.872 -0.187 1.00 0.00 C ATOM 597 NE ARG A 38 3.746 6.268 1.161 1.00 0.00 N ATOM 598 CZ ARG A 38 4.506 6.102 2.209 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.691 6.645 2.249 1.00 0.00 N ATOM 600 NH2 ARG A 38 4.079 5.391 3.218 1.00 0.00 N ATOM 0 H ARG A 38 3.437 3.043 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 38 3.726 5.329 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.402 6.887 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.937 5.980 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.102 5.612 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.038 4.241 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.020 5.115 -0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.668 6.723 -0.716 1.00 0.00 H new ATOM 0 HE ARG A 38 2.814 6.669 1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.025 7.200 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.284 6.515 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.152 4.966 3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.672 5.261 4.037 1.00 0.00 H new ATOM 614 N ASP A 39 6.013 5.827 -3.314 1.00 0.00 N ATOM 615 CA ASP A 39 7.461 5.817 -2.946 1.00 0.00 C ATOM 616 C ASP A 39 7.654 6.381 -1.535 1.00 0.00 C ATOM 617 O ASP A 39 6.812 7.091 -1.019 1.00 0.00 O ATOM 618 CB ASP A 39 8.138 6.717 -3.980 1.00 0.00 C ATOM 619 CG ASP A 39 9.617 6.345 -4.092 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.335 6.553 -3.128 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.008 5.857 -5.140 1.00 0.00 O ATOM 0 H ASP A 39 5.724 6.600 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 39 7.879 4.810 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.650 6.606 -4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.036 7.763 -3.689 1.00 0.00 H new ATOM 626 N SER A 40 8.758 6.070 -0.907 1.00 0.00 N ATOM 627 CA SER A 40 9.008 6.587 0.471 1.00 0.00 C ATOM 628 C SER A 40 10.075 7.688 0.439 1.00 0.00 C ATOM 629 O SER A 40 10.220 8.392 -0.541 1.00 0.00 O ATOM 630 CB SER A 40 9.503 5.375 1.261 1.00 0.00 C ATOM 631 OG SER A 40 9.631 5.729 2.632 1.00 0.00 O ATOM 0 H SER A 40 9.497 5.480 -1.289 1.00 0.00 H new ATOM 0 HA SER A 40 8.117 7.027 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.805 4.545 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.463 5.038 0.869 1.00 0.00 H new ATOM 0 HG SER A 40 10.345 5.198 3.042 1.00 0.00 H new ATOM 637 N SER A 41 10.822 7.843 1.503 1.00 0.00 N ATOM 638 CA SER A 41 11.875 8.901 1.529 1.00 0.00 C ATOM 639 C SER A 41 13.065 8.447 2.380 1.00 0.00 C ATOM 640 O SER A 41 14.194 8.446 1.930 1.00 0.00 O ATOM 641 CB SER A 41 11.198 10.118 2.158 1.00 0.00 C ATOM 642 OG SER A 41 9.983 10.385 1.471 1.00 0.00 O ATOM 0 H SER A 41 10.748 7.283 2.353 1.00 0.00 H new ATOM 0 HA SER A 41 12.264 9.119 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.000 9.933 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.858 10.984 2.104 1.00 0.00 H new ATOM 0 HG SER A 41 9.545 11.164 1.872 1.00 0.00 H new ATOM 648 N LYS A 42 12.822 8.062 3.605 1.00 0.00 N ATOM 649 CA LYS A 42 13.943 7.607 4.485 1.00 0.00 C ATOM 650 C LYS A 42 14.708 6.461 3.817 1.00 0.00 C ATOM 651 O LYS A 42 15.850 6.609 3.428 1.00 0.00 O ATOM 652 CB LYS A 42 13.268 7.125 5.771 1.00 0.00 C ATOM 653 CG LYS A 42 12.722 8.327 6.544 1.00 0.00 C ATOM 654 CD LYS A 42 11.980 7.838 7.789 1.00 0.00 C ATOM 655 CE LYS A 42 10.495 7.663 7.464 1.00 0.00 C ATOM 656 NZ LYS A 42 9.908 9.025 7.605 1.00 0.00 N ATOM 0 H LYS A 42 11.898 8.042 4.036 1.00 0.00 H new ATOM 0 HA LYS A 42 14.665 8.401 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.459 6.435 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.983 6.578 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.538 8.990 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.050 8.905 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.402 6.892 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.103 8.553 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.355 7.275 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.022 6.956 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.070 9.107 6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.632 9.183 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.612 9.737 7.324 1.00 0.00 H new ATOM 670 N ALA A 43 14.082 5.325 3.675 1.00 0.00 N ATOM 671 CA ALA A 43 14.765 4.168 3.024 1.00 0.00 C ATOM 672 C ALA A 43 14.543 4.207 1.515 1.00 0.00 C ATOM 673 O ALA A 43 15.180 3.494 0.764 1.00 0.00 O ATOM 674 CB ALA A 43 14.087 2.924 3.600 1.00 0.00 C ATOM 0 H ALA A 43 13.126 5.147 3.982 1.00 0.00 H new ATOM 0 HA ALA A 43 15.840 4.181 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.537 2.031 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.216 2.907 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.024 2.946 3.362 1.00 0.00 H new ATOM 680 N GLY A 44 13.613 5.003 1.069 1.00 0.00 N ATOM 681 CA GLY A 44 13.318 5.049 -0.384 1.00 0.00 C ATOM 682 C GLY A 44 12.578 3.761 -0.739 1.00 0.00 C ATOM 683 O GLY A 44 12.657 3.267 -1.846 1.00 0.00 O ATOM 0 H GLY A 44 13.046 5.622 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.709 5.921 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.239 5.134 -0.960 1.00 0.00 H new ATOM 687 N LYS A 45 11.864 3.212 0.213 1.00 0.00 N ATOM 688 CA LYS A 45 11.120 1.951 -0.037 1.00 0.00 C ATOM 689 C LYS A 45 9.717 2.267 -0.562 1.00 0.00 C ATOM 690 O LYS A 45 9.343 3.417 -0.689 1.00 0.00 O ATOM 691 CB LYS A 45 11.041 1.255 1.325 1.00 0.00 C ATOM 692 CG LYS A 45 10.235 2.114 2.309 1.00 0.00 C ATOM 693 CD LYS A 45 11.144 2.588 3.445 1.00 0.00 C ATOM 694 CE LYS A 45 10.292 2.958 4.661 1.00 0.00 C ATOM 695 NZ LYS A 45 10.193 1.702 5.456 1.00 0.00 N ATOM 0 H LYS A 45 11.768 3.590 1.156 1.00 0.00 H new ATOM 0 HA LYS A 45 11.608 1.324 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.573 0.277 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.045 1.086 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.807 2.972 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.403 1.537 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.852 1.803 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.729 3.449 3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.756 3.757 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.307 3.314 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.622 1.875 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.742 0.962 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.146 1.391 5.734 1.00 0.00 H new ATOM 709 N TYR A 46 8.936 1.264 -0.859 1.00 0.00 N ATOM 710 CA TYR A 46 7.557 1.522 -1.369 1.00 0.00 C ATOM 711 C TYR A 46 6.518 1.056 -0.342 1.00 0.00 C ATOM 712 O TYR A 46 6.790 0.215 0.494 1.00 0.00 O ATOM 713 CB TYR A 46 7.433 0.699 -2.658 1.00 0.00 C ATOM 714 CG TYR A 46 8.525 1.068 -3.649 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.194 2.297 -3.558 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.863 0.169 -4.671 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.194 2.623 -4.482 1.00 0.00 C ATOM 718 CE2 TYR A 46 9.864 0.496 -5.594 1.00 0.00 C ATOM 719 CZ TYR A 46 10.528 1.723 -5.499 1.00 0.00 C ATOM 720 OH TYR A 46 11.514 2.045 -6.410 1.00 0.00 O ATOM 0 H TYR A 46 9.191 0.280 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 46 7.384 2.583 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.495 -0.363 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.455 0.869 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.937 2.994 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.350 -0.778 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.708 3.570 -4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.123 -0.199 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 46 11.622 1.310 -7.049 1.00 0.00 H new ATOM 730 N THR A 47 5.326 1.588 -0.408 1.00 0.00 N ATOM 731 CA THR A 47 4.259 1.174 0.551 1.00 0.00 C ATOM 732 C THR A 47 3.014 0.757 -0.229 1.00 0.00 C ATOM 733 O THR A 47 2.553 1.472 -1.094 1.00 0.00 O ATOM 734 CB THR A 47 3.973 2.411 1.409 1.00 0.00 C ATOM 735 OG1 THR A 47 5.143 2.758 2.137 1.00 0.00 O ATOM 736 CG2 THR A 47 2.830 2.113 2.388 1.00 0.00 C ATOM 0 H THR A 47 5.044 2.294 -1.088 1.00 0.00 H new ATOM 0 HA THR A 47 4.559 0.328 1.169 1.00 0.00 H new ATOM 0 HB THR A 47 3.683 3.240 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.514 3.592 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.631 2.996 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.932 1.847 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.113 1.283 3.036 1.00 0.00 H new ATOM 744 N VAL A 48 2.474 -0.398 0.060 1.00 0.00 N ATOM 745 CA VAL A 48 1.265 -0.860 -0.681 1.00 0.00 C ATOM 746 C VAL A 48 -0.008 -0.571 0.122 1.00 0.00 C ATOM 747 O VAL A 48 -0.294 -1.225 1.105 1.00 0.00 O ATOM 748 CB VAL A 48 1.464 -2.366 -0.854 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.236 -2.976 -1.534 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.700 -2.618 -1.720 1.00 0.00 C ATOM 0 H VAL A 48 2.817 -1.039 0.775 1.00 0.00 H new ATOM 0 HA VAL A 48 1.149 -0.348 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 48 1.600 -2.826 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.383 -4.049 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.646 -2.797 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.096 -2.516 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.844 -3.691 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.561 -2.155 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.577 -2.188 -1.236 1.00 0.00 H new ATOM 760 N SER A 49 -0.774 0.398 -0.302 1.00 0.00 N ATOM 761 CA SER A 49 -2.037 0.734 0.420 1.00 0.00 C ATOM 762 C SER A 49 -3.200 -0.084 -0.146 1.00 0.00 C ATOM 763 O SER A 49 -3.671 0.173 -1.237 1.00 0.00 O ATOM 764 CB SER A 49 -2.258 2.222 0.148 1.00 0.00 C ATOM 765 OG SER A 49 -1.576 2.987 1.133 1.00 0.00 O ATOM 0 H SER A 49 -0.579 0.974 -1.121 1.00 0.00 H new ATOM 0 HA SER A 49 -1.976 0.513 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.893 2.480 -0.846 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.323 2.452 0.166 1.00 0.00 H new ATOM 0 HG SER A 49 -1.161 3.768 0.711 1.00 0.00 H new ATOM 771 N VAL A 50 -3.671 -1.063 0.580 1.00 0.00 N ATOM 772 CA VAL A 50 -4.808 -1.884 0.061 1.00 0.00 C ATOM 773 C VAL A 50 -6.006 -1.800 1.009 1.00 0.00 C ATOM 774 O VAL A 50 -5.889 -2.059 2.192 1.00 0.00 O ATOM 775 CB VAL A 50 -4.279 -3.318 -0.014 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.239 -3.419 -1.129 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.633 -3.710 1.319 1.00 0.00 C ATOM 0 H VAL A 50 -3.323 -1.329 1.501 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.150 -1.531 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.109 -3.993 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.862 -4.440 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.698 -3.151 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.414 -2.738 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.260 -4.732 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.806 -3.034 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.374 -3.643 2.116 1.00 0.00 H new ATOM 787 N PHE A 51 -7.159 -1.431 0.508 1.00 0.00 N ATOM 788 CA PHE A 51 -8.347 -1.334 1.405 1.00 0.00 C ATOM 789 C PHE A 51 -9.525 -2.136 0.837 1.00 0.00 C ATOM 790 O PHE A 51 -9.457 -2.667 -0.251 1.00 0.00 O ATOM 791 CB PHE A 51 -8.673 0.166 1.443 1.00 0.00 C ATOM 792 CG PHE A 51 -10.043 0.411 0.852 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.219 0.354 -0.533 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.134 0.682 1.686 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.481 0.566 -1.086 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.400 0.895 1.131 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.574 0.836 -0.255 1.00 0.00 C ATOM 0 H PHE A 51 -7.326 -1.196 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.154 -1.742 2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.641 0.528 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.922 0.724 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.376 0.145 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.998 0.727 2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.615 0.522 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.243 1.105 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.552 0.999 -0.684 1.00 0.00 H new ATOM 807 N ALA A 52 -10.618 -2.192 1.562 1.00 0.00 N ATOM 808 CA ALA A 52 -11.817 -2.925 1.054 1.00 0.00 C ATOM 809 C ALA A 52 -13.038 -2.672 1.942 1.00 0.00 C ATOM 810 O ALA A 52 -12.920 -2.362 3.107 1.00 0.00 O ATOM 811 CB ALA A 52 -11.450 -4.407 1.078 1.00 0.00 C ATOM 0 H ALA A 52 -10.729 -1.762 2.480 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.080 -2.588 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.292 -4.996 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.585 -4.578 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.210 -4.706 2.098 1.00 0.00 H new ATOM 817 N LYS A 53 -14.213 -2.811 1.391 1.00 0.00 N ATOM 818 CA LYS A 53 -15.456 -2.588 2.188 1.00 0.00 C ATOM 819 C LYS A 53 -16.129 -3.930 2.508 1.00 0.00 C ATOM 820 O LYS A 53 -17.317 -4.097 2.315 1.00 0.00 O ATOM 821 CB LYS A 53 -16.356 -1.749 1.282 1.00 0.00 C ATOM 822 CG LYS A 53 -16.058 -0.265 1.495 1.00 0.00 C ATOM 823 CD LYS A 53 -17.345 0.542 1.314 1.00 0.00 C ATOM 824 CE LYS A 53 -17.025 2.037 1.371 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.827 2.643 0.272 1.00 0.00 N ATOM 0 H LYS A 53 -14.368 -3.071 0.417 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.254 -2.096 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.190 -2.017 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.404 -1.955 1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.652 -0.104 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.302 0.071 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.810 0.295 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.061 0.283 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.295 2.462 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.960 2.219 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.427 3.569 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.804 2.019 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.811 2.765 0.587 1.00 0.00 H new ATOM 839 N SER A 54 -15.380 -4.890 2.987 1.00 0.00 N ATOM 840 CA SER A 54 -15.986 -6.219 3.309 1.00 0.00 C ATOM 841 C SER A 54 -15.099 -6.993 4.292 1.00 0.00 C ATOM 842 O SER A 54 -14.523 -8.009 3.957 1.00 0.00 O ATOM 843 CB SER A 54 -16.064 -6.950 1.969 1.00 0.00 C ATOM 844 OG SER A 54 -17.351 -6.750 1.401 1.00 0.00 O ATOM 0 H SER A 54 -14.379 -4.813 3.169 1.00 0.00 H new ATOM 0 HA SER A 54 -16.963 -6.120 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.294 -6.579 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.877 -8.015 2.111 1.00 0.00 H new ATOM 0 HG SER A 54 -17.644 -5.830 1.570 1.00 0.00 H new ATOM 850 N THR A 55 -14.990 -6.518 5.506 1.00 0.00 N ATOM 851 CA THR A 55 -14.146 -7.217 6.525 1.00 0.00 C ATOM 852 C THR A 55 -14.466 -6.640 7.907 1.00 0.00 C ATOM 853 O THR A 55 -15.589 -6.254 8.165 1.00 0.00 O ATOM 854 CB THR A 55 -12.689 -6.926 6.135 1.00 0.00 C ATOM 855 OG1 THR A 55 -12.625 -6.411 4.811 1.00 0.00 O ATOM 856 CG2 THR A 55 -11.870 -8.215 6.218 1.00 0.00 C ATOM 0 H THR A 55 -15.451 -5.671 5.838 1.00 0.00 H new ATOM 0 HA THR A 55 -14.328 -8.291 6.559 1.00 0.00 H new ATOM 0 HB THR A 55 -12.282 -6.185 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.769 -5.953 4.679 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.836 -8.008 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.902 -8.602 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.287 -8.956 5.535 1.00 0.00 H new ATOM 864 N GLY A 56 -13.499 -6.550 8.792 1.00 0.00 N ATOM 865 CA GLY A 56 -13.780 -5.961 10.138 1.00 0.00 C ATOM 866 C GLY A 56 -14.531 -4.642 9.933 1.00 0.00 C ATOM 867 O GLY A 56 -15.367 -4.251 10.723 1.00 0.00 O ATOM 0 H GLY A 56 -12.538 -6.856 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.376 -6.649 10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.850 -5.789 10.680 1.00 0.00 H new ATOM 871 N ASP A 57 -14.246 -3.981 8.844 1.00 0.00 N ATOM 872 CA ASP A 57 -14.936 -2.709 8.515 1.00 0.00 C ATOM 873 C ASP A 57 -15.712 -2.905 7.204 1.00 0.00 C ATOM 874 O ASP A 57 -15.227 -2.569 6.145 1.00 0.00 O ATOM 875 CB ASP A 57 -13.812 -1.695 8.328 1.00 0.00 C ATOM 876 CG ASP A 57 -14.260 -0.331 8.854 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.354 0.085 8.510 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.501 0.276 9.592 1.00 0.00 O ATOM 0 H ASP A 57 -13.551 -4.277 8.159 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.642 -2.385 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.919 -2.025 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.547 -1.620 7.273 1.00 0.00 H new ATOM 883 N PRO A 58 -16.888 -3.466 7.310 1.00 0.00 N ATOM 884 CA PRO A 58 -17.720 -3.737 6.111 1.00 0.00 C ATOM 885 C PRO A 58 -17.889 -2.498 5.233 1.00 0.00 C ATOM 886 O PRO A 58 -18.221 -2.596 4.068 1.00 0.00 O ATOM 887 CB PRO A 58 -19.053 -4.161 6.726 1.00 0.00 C ATOM 888 CG PRO A 58 -18.919 -4.153 8.259 1.00 0.00 C ATOM 889 CD PRO A 58 -17.464 -3.841 8.621 1.00 0.00 C ATOM 0 HA PRO A 58 -17.280 -4.483 5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.846 -3.481 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.330 -5.156 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.585 -3.407 8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.212 -5.119 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.390 -3.030 9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.959 -4.704 9.056 1.00 0.00 H new ATOM 897 N GLN A 59 -17.686 -1.341 5.782 1.00 0.00 N ATOM 898 CA GLN A 59 -17.859 -0.100 4.971 1.00 0.00 C ATOM 899 C GLN A 59 -16.524 0.608 4.719 1.00 0.00 C ATOM 900 O GLN A 59 -16.501 1.726 4.243 1.00 0.00 O ATOM 901 CB GLN A 59 -18.787 0.790 5.800 1.00 0.00 C ATOM 902 CG GLN A 59 -18.273 0.865 7.239 1.00 0.00 C ATOM 903 CD GLN A 59 -18.652 2.214 7.853 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.690 2.344 8.469 1.00 0.00 O ATOM 905 NE2 GLN A 59 -17.846 3.230 7.710 1.00 0.00 N ATOM 0 H GLN A 59 -17.409 -1.194 6.753 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.266 -0.327 3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.833 1.789 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.801 0.390 5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.698 0.054 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.191 0.738 7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.974 3.120 7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.088 4.134 8.116 1.00 0.00 H new ATOM 914 N GLY A 60 -15.409 -0.014 5.015 1.00 0.00 N ATOM 915 CA GLY A 60 -14.116 0.674 4.754 1.00 0.00 C ATOM 916 C GLY A 60 -12.958 0.008 5.505 1.00 0.00 C ATOM 917 O GLY A 60 -12.734 0.261 6.673 1.00 0.00 O ATOM 0 H GLY A 60 -15.342 -0.949 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.909 0.665 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.192 1.719 5.055 1.00 0.00 H new ATOM 921 N VAL A 61 -12.198 -0.814 4.829 1.00 0.00 N ATOM 922 CA VAL A 61 -11.026 -1.475 5.482 1.00 0.00 C ATOM 923 C VAL A 61 -9.758 -1.057 4.768 1.00 0.00 C ATOM 924 O VAL A 61 -9.753 -0.867 3.577 1.00 0.00 O ATOM 925 CB VAL A 61 -11.237 -2.978 5.312 1.00 0.00 C ATOM 926 CG1 VAL A 61 -10.073 -3.740 5.953 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.544 -3.385 5.975 1.00 0.00 C ATOM 0 H VAL A 61 -12.338 -1.058 3.849 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.939 -1.201 6.533 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.280 -3.219 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.228 -4.812 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.139 -3.450 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.023 -3.501 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.695 -4.458 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.505 -3.142 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.371 -2.848 5.510 1.00 0.00 H new ATOM 937 N ILE A 62 -8.692 -0.887 5.492 1.00 0.00 N ATOM 938 CA ILE A 62 -7.420 -0.446 4.848 1.00 0.00 C ATOM 939 C ILE A 62 -6.197 -1.083 5.515 1.00 0.00 C ATOM 940 O ILE A 62 -6.234 -1.494 6.658 1.00 0.00 O ATOM 941 CB ILE A 62 -7.387 1.077 5.033 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.799 1.574 5.388 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.900 1.728 3.734 1.00 0.00 C ATOM 944 CD1 ILE A 62 -8.830 3.093 5.465 1.00 0.00 C ATOM 0 H ILE A 62 -8.642 -1.033 6.500 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.386 -0.744 3.800 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.706 1.345 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.511 1.228 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.110 1.150 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.874 2.811 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.900 1.365 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.580 1.472 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.837 3.424 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.134 3.433 6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.541 3.512 4.501 1.00 0.00 H new ATOM 956 N ARG A 63 -5.110 -1.147 4.795 1.00 0.00 N ATOM 957 CA ARG A 63 -3.855 -1.733 5.349 1.00 0.00 C ATOM 958 C ARG A 63 -2.691 -1.393 4.411 1.00 0.00 C ATOM 959 O ARG A 63 -2.636 -1.856 3.289 1.00 0.00 O ATOM 960 CB ARG A 63 -4.100 -3.245 5.389 1.00 0.00 C ATOM 961 CG ARG A 63 -3.823 -3.775 6.799 1.00 0.00 C ATOM 962 CD ARG A 63 -2.351 -3.543 7.157 1.00 0.00 C ATOM 963 NE ARG A 63 -1.895 -4.823 7.767 1.00 0.00 N ATOM 964 CZ ARG A 63 -0.619 -5.093 7.839 1.00 0.00 C ATOM 965 NH1 ARG A 63 0.225 -4.165 8.198 1.00 0.00 N ATOM 966 NH2 ARG A 63 -0.188 -6.291 7.553 1.00 0.00 N ATOM 0 H ARG A 63 -5.037 -0.814 3.834 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.605 -1.348 6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.129 -3.464 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.455 -3.747 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.467 -3.271 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.057 -4.838 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.764 -3.297 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.241 -2.712 7.854 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.579 -5.488 8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.112 -3.229 8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.221 -4.376 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.848 -7.017 7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.808 -6.501 7.609 1.00 0.00 H new ATOM 980 N HIS A 64 -1.773 -0.570 4.849 1.00 0.00 N ATOM 981 CA HIS A 64 -0.634 -0.190 3.957 1.00 0.00 C ATOM 982 C HIS A 64 0.587 -1.066 4.215 1.00 0.00 C ATOM 983 O HIS A 64 1.306 -0.881 5.179 1.00 0.00 O ATOM 984 CB HIS A 64 -0.299 1.271 4.283 1.00 0.00 C ATOM 985 CG HIS A 64 -1.560 2.036 4.572 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.336 2.585 3.565 1.00 0.00 N ATOM 987 CD2 HIS A 64 -2.197 2.341 5.747 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.388 3.187 4.148 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.352 3.068 5.478 1.00 0.00 N ATOM 0 H HIS A 64 -1.761 -0.147 5.777 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.910 -0.322 2.911 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.369 1.316 5.143 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.229 1.727 3.446 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.145 2.541 2.564 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.854 2.060 6.732 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.167 3.704 3.607 1.00 0.00 H new ATOM 997 N TYR A 65 0.848 -1.997 3.342 1.00 0.00 N ATOM 998 CA TYR A 65 2.047 -2.862 3.515 1.00 0.00 C ATOM 999 C TYR A 65 3.266 -2.099 3.018 1.00 0.00 C ATOM 1000 O TYR A 65 3.294 -1.634 1.900 1.00 0.00 O ATOM 1001 CB TYR A 65 1.815 -4.081 2.631 1.00 0.00 C ATOM 1002 CG TYR A 65 0.423 -4.640 2.846 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.159 -4.618 4.121 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.282 -5.189 1.767 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.440 -5.146 4.316 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.563 -5.716 1.963 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.142 -5.696 3.237 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.405 -6.216 3.430 1.00 0.00 O ATOM 0 H TYR A 65 0.283 -2.197 2.516 1.00 0.00 H new ATOM 0 HA TYR A 65 2.206 -3.149 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.945 -3.807 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.558 -4.846 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.382 -4.193 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.164 -5.205 0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.887 -5.129 5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.106 -6.139 1.130 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.752 -6.556 2.579 1.00 0.00 H new ATOM 1018 N VAL A 66 4.269 -1.959 3.824 1.00 0.00 N ATOM 1019 CA VAL A 66 5.471 -1.207 3.362 1.00 0.00 C ATOM 1020 C VAL A 66 6.670 -2.138 3.254 1.00 0.00 C ATOM 1021 O VAL A 66 6.653 -3.250 3.739 1.00 0.00 O ATOM 1022 CB VAL A 66 5.730 -0.136 4.419 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.850 0.788 3.927 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.456 0.686 4.655 1.00 0.00 C ATOM 0 H VAL A 66 4.316 -2.326 4.775 1.00 0.00 H new ATOM 0 HA VAL A 66 5.311 -0.768 2.377 1.00 0.00 H new ATOM 0 HB VAL A 66 6.023 -0.612 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.043 1.557 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.757 0.206 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.548 1.260 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.649 1.448 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.155 1.166 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.657 0.029 4.999 1.00 0.00 H new ATOM 1034 N VAL A 67 7.714 -1.691 2.622 1.00 0.00 N ATOM 1035 CA VAL A 67 8.915 -2.551 2.484 1.00 0.00 C ATOM 1036 C VAL A 67 10.099 -1.950 3.242 1.00 0.00 C ATOM 1037 O VAL A 67 10.473 -0.812 3.036 1.00 0.00 O ATOM 1038 CB VAL A 67 9.206 -2.590 0.988 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.479 -3.403 0.740 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.028 -3.239 0.255 1.00 0.00 C ATOM 0 H VAL A 67 7.787 -0.767 2.195 1.00 0.00 H new ATOM 0 HA VAL A 67 8.751 -3.547 2.897 1.00 0.00 H new ATOM 0 HB VAL A 67 9.346 -1.575 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.689 -3.432 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.315 -2.938 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.340 -4.419 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.236 -3.267 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.885 -4.255 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.123 -2.658 0.434 1.00 0.00 H new ATOM 1050 N CYS A 68 10.702 -2.719 4.099 1.00 0.00 N ATOM 1051 CA CYS A 68 11.879 -2.222 4.857 1.00 0.00 C ATOM 1052 C CYS A 68 13.146 -2.571 4.077 1.00 0.00 C ATOM 1053 O CYS A 68 13.222 -3.603 3.442 1.00 0.00 O ATOM 1054 CB CYS A 68 11.832 -2.963 6.193 1.00 0.00 C ATOM 1055 SG CYS A 68 13.204 -2.414 7.239 1.00 0.00 S ATOM 0 H CYS A 68 10.428 -3.679 4.309 1.00 0.00 H new ATOM 0 HA CYS A 68 11.873 -1.143 5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.882 -2.773 6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.896 -4.038 6.027 1.00 0.00 H new ATOM 0 HG CYS A 68 14.001 -3.415 7.469 1.00 0.00 H new ATOM 1061 N SER A 69 14.132 -1.718 4.098 1.00 0.00 N ATOM 1062 CA SER A 69 15.376 -2.009 3.329 1.00 0.00 C ATOM 1063 C SER A 69 16.606 -2.010 4.238 1.00 0.00 C ATOM 1064 O SER A 69 16.780 -1.145 5.073 1.00 0.00 O ATOM 1065 CB SER A 69 15.474 -0.878 2.308 1.00 0.00 C ATOM 1066 OG SER A 69 15.165 0.356 2.940 1.00 0.00 O ATOM 0 H SER A 69 14.132 -0.836 4.611 1.00 0.00 H new ATOM 0 HA SER A 69 15.340 -2.994 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.478 -0.841 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.786 -1.058 1.482 1.00 0.00 H new ATOM 0 HG SER A 69 15.993 0.851 3.114 1.00 0.00 H new ATOM 1072 N THR A 70 17.469 -2.971 4.055 1.00 0.00 N ATOM 1073 CA THR A 70 18.712 -3.036 4.877 1.00 0.00 C ATOM 1074 C THR A 70 19.884 -2.499 4.040 1.00 0.00 C ATOM 1075 O THR A 70 19.812 -2.500 2.827 1.00 0.00 O ATOM 1076 CB THR A 70 18.891 -4.523 5.210 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.024 -4.695 6.049 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.083 -5.328 3.926 1.00 0.00 C ATOM 0 H THR A 70 17.367 -3.718 3.368 1.00 0.00 H new ATOM 0 HA THR A 70 18.664 -2.439 5.788 1.00 0.00 H new ATOM 0 HB THR A 70 17.999 -4.878 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.133 -5.646 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.209 -6.382 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.209 -5.207 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.969 -4.970 3.401 1.00 0.00 H new ATOM 1086 N PRO A 71 20.921 -2.033 4.697 1.00 0.00 N ATOM 1087 CA PRO A 71 22.086 -1.470 3.970 1.00 0.00 C ATOM 1088 C PRO A 71 22.799 -2.506 3.092 1.00 0.00 C ATOM 1089 O PRO A 71 23.794 -2.199 2.465 1.00 0.00 O ATOM 1090 CB PRO A 71 22.991 -0.983 5.105 1.00 0.00 C ATOM 1091 CG PRO A 71 22.304 -1.285 6.451 1.00 0.00 C ATOM 1092 CD PRO A 71 20.990 -2.030 6.179 1.00 0.00 C ATOM 0 HA PRO A 71 21.798 -0.686 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 71 23.960 -1.480 5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.177 0.087 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.957 -1.889 7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.108 -0.359 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.005 -3.041 6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.135 -1.520 6.624 1.00 0.00 H new ATOM 1100 N GLN A 72 22.305 -3.711 3.010 1.00 0.00 N ATOM 1101 CA GLN A 72 22.972 -4.715 2.137 1.00 0.00 C ATOM 1102 C GLN A 72 22.281 -4.725 0.766 1.00 0.00 C ATOM 1103 O GLN A 72 22.310 -5.704 0.048 1.00 0.00 O ATOM 1104 CB GLN A 72 22.797 -6.049 2.872 1.00 0.00 C ATOM 1105 CG GLN A 72 23.386 -7.201 2.048 1.00 0.00 C ATOM 1106 CD GLN A 72 24.835 -6.884 1.669 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.083 -6.143 0.740 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.808 -7.420 2.355 1.00 0.00 N ATOM 0 H GLN A 72 21.476 -4.041 3.505 1.00 0.00 H new ATOM 0 HA GLN A 72 24.026 -4.505 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.288 -6.002 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.739 -6.232 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.345 -8.127 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.791 -7.357 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.599 -8.043 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.777 -7.216 2.110 1.00 0.00 H new ATOM 1117 N SER A 73 21.650 -3.631 0.400 1.00 0.00 N ATOM 1118 CA SER A 73 20.941 -3.566 -0.915 1.00 0.00 C ATOM 1119 C SER A 73 19.826 -4.610 -0.930 1.00 0.00 C ATOM 1120 O SER A 73 19.696 -5.385 -1.857 1.00 0.00 O ATOM 1121 CB SER A 73 21.999 -3.886 -1.973 1.00 0.00 C ATOM 1122 OG SER A 73 21.829 -3.019 -3.086 1.00 0.00 O ATOM 0 H SER A 73 21.597 -2.780 0.959 1.00 0.00 H new ATOM 0 HA SER A 73 20.488 -2.592 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.998 -3.765 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.910 -4.925 -2.290 1.00 0.00 H new ATOM 0 HG SER A 73 22.507 -3.221 -3.764 1.00 0.00 H new ATOM 1128 N GLN A 74 19.038 -4.650 0.113 1.00 0.00 N ATOM 1129 CA GLN A 74 17.945 -5.663 0.188 1.00 0.00 C ATOM 1130 C GLN A 74 16.652 -5.020 0.709 1.00 0.00 C ATOM 1131 O GLN A 74 16.649 -3.896 1.168 1.00 0.00 O ATOM 1132 CB GLN A 74 18.455 -6.722 1.171 1.00 0.00 C ATOM 1133 CG GLN A 74 19.985 -6.675 1.247 1.00 0.00 C ATOM 1134 CD GLN A 74 20.510 -7.978 1.852 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.586 -8.114 3.057 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.879 -8.947 1.062 1.00 0.00 N ATOM 0 H GLN A 74 19.105 -4.025 0.916 1.00 0.00 H new ATOM 0 HA GLN A 74 17.711 -6.089 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.028 -6.548 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.129 -7.712 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.404 -6.530 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.303 -5.827 1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.815 -8.833 0.050 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.232 -9.820 1.455 1.00 0.00 H new ATOM 1145 N TYR A 75 15.546 -5.721 0.618 1.00 0.00 N ATOM 1146 CA TYR A 75 14.242 -5.136 1.088 1.00 0.00 C ATOM 1147 C TYR A 75 13.324 -6.216 1.676 1.00 0.00 C ATOM 1148 O TYR A 75 13.482 -7.381 1.403 1.00 0.00 O ATOM 1149 CB TYR A 75 13.593 -4.541 -0.162 1.00 0.00 C ATOM 1150 CG TYR A 75 14.573 -3.644 -0.874 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.533 -4.198 -1.725 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.524 -2.262 -0.678 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.447 -3.372 -2.381 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.437 -1.433 -1.335 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.401 -1.986 -2.188 1.00 0.00 C ATOM 1156 OH TYR A 75 17.304 -1.167 -2.834 1.00 0.00 O ATOM 0 H TYR A 75 15.486 -6.667 0.242 1.00 0.00 H new ATOM 0 HA TYR A 75 14.406 -4.397 1.872 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.268 -5.340 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.704 -3.975 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.568 -5.267 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.782 -1.835 -0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.189 -3.802 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.399 -0.364 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 75 17.132 -0.234 -2.590 1.00 0.00 H new ATOM 1166 N TYR A 76 12.349 -5.820 2.462 1.00 0.00 N ATOM 1167 CA TYR A 76 11.394 -6.809 3.071 1.00 0.00 C ATOM 1168 C TYR A 76 10.379 -6.102 3.977 1.00 0.00 C ATOM 1169 O TYR A 76 10.624 -5.026 4.475 1.00 0.00 O ATOM 1170 CB TYR A 76 12.256 -7.752 3.932 1.00 0.00 C ATOM 1171 CG TYR A 76 12.990 -6.959 4.993 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.339 -6.625 6.186 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.322 -6.577 4.798 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.013 -5.913 7.181 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.997 -5.861 5.792 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.345 -5.530 6.984 1.00 0.00 C ATOM 1177 OH TYR A 76 15.013 -4.826 7.965 1.00 0.00 O ATOM 0 H TYR A 76 12.171 -4.847 2.711 1.00 0.00 H new ATOM 0 HA TYR A 76 10.839 -7.337 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.625 -8.507 4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.971 -8.281 3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.311 -6.919 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.829 -6.835 3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.507 -5.658 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.024 -5.563 5.639 1.00 0.00 H new ATOM 0 HH TYR A 76 15.928 -4.640 7.668 1.00 0.00 H new ATOM 1187 N LEU A 77 9.274 -6.741 4.250 1.00 0.00 N ATOM 1188 CA LEU A 77 8.271 -6.149 5.187 1.00 0.00 C ATOM 1189 C LEU A 77 8.507 -6.815 6.546 1.00 0.00 C ATOM 1190 O LEU A 77 7.963 -6.437 7.565 1.00 0.00 O ATOM 1191 CB LEU A 77 6.898 -6.525 4.618 1.00 0.00 C ATOM 1192 CG LEU A 77 5.841 -5.526 5.110 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.855 -5.221 3.980 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.078 -6.127 6.293 1.00 0.00 C ATOM 0 H LEU A 77 9.020 -7.650 3.864 1.00 0.00 H new ATOM 0 HA LEU A 77 8.342 -5.067 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.933 -6.525 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.630 -7.535 4.928 1.00 0.00 H new ATOM 0 HG LEU A 77 6.336 -4.606 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.106 -4.512 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.392 -4.791 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.364 -6.142 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.328 -5.417 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.587 -7.048 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.775 -6.345 7.102 1.00 0.00 H new ATOM 1206 N ALA A 78 9.378 -7.790 6.533 1.00 0.00 N ATOM 1207 CA ALA A 78 9.782 -8.526 7.753 1.00 0.00 C ATOM 1208 C ALA A 78 11.179 -9.085 7.474 1.00 0.00 C ATOM 1209 O ALA A 78 11.380 -9.802 6.514 1.00 0.00 O ATOM 1210 CB ALA A 78 8.756 -9.650 7.916 1.00 0.00 C ATOM 0 H ALA A 78 9.842 -8.114 5.684 1.00 0.00 H new ATOM 0 HA ALA A 78 9.812 -7.920 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.996 -10.236 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.760 -9.221 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.780 -10.295 7.038 1.00 0.00 H new ATOM 1216 N GLU A 79 12.154 -8.736 8.272 1.00 0.00 N ATOM 1217 CA GLU A 79 13.550 -9.220 8.016 1.00 0.00 C ATOM 1218 C GLU A 79 13.575 -10.728 7.751 1.00 0.00 C ATOM 1219 O GLU A 79 14.524 -11.251 7.201 1.00 0.00 O ATOM 1220 CB GLU A 79 14.328 -8.885 9.286 1.00 0.00 C ATOM 1221 CG GLU A 79 14.928 -7.488 9.156 1.00 0.00 C ATOM 1222 CD GLU A 79 15.949 -7.263 10.273 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.535 -7.156 11.415 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.129 -7.201 9.967 1.00 0.00 O ATOM 0 H GLU A 79 12.047 -8.137 9.091 1.00 0.00 H new ATOM 0 HA GLU A 79 13.981 -8.749 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.669 -8.931 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.118 -9.619 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.407 -7.376 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.141 -6.736 9.212 1.00 0.00 H new ATOM 1231 N LYS A 80 12.539 -11.420 8.132 1.00 0.00 N ATOM 1232 CA LYS A 80 12.479 -12.898 7.900 1.00 0.00 C ATOM 1233 C LYS A 80 12.967 -13.239 6.486 1.00 0.00 C ATOM 1234 O LYS A 80 13.651 -14.221 6.273 1.00 0.00 O ATOM 1235 CB LYS A 80 11.001 -13.255 8.046 1.00 0.00 C ATOM 1236 CG LYS A 80 10.765 -13.933 9.397 1.00 0.00 C ATOM 1237 CD LYS A 80 9.291 -13.805 9.785 1.00 0.00 C ATOM 1238 CE LYS A 80 8.977 -14.772 10.927 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.534 -14.559 11.226 1.00 0.00 N ATOM 0 H LYS A 80 11.722 -11.026 8.599 1.00 0.00 H new ATOM 0 HA LYS A 80 13.111 -13.449 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.390 -12.355 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.696 -13.919 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.047 -14.984 9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.394 -13.474 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.072 -12.782 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.658 -14.023 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.171 -15.804 10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.596 -14.566 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.243 -15.189 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.380 -13.570 11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.969 -14.770 10.379 1.00 0.00 H new ATOM 1253 N HIS A 81 12.626 -12.424 5.523 1.00 0.00 N ATOM 1254 CA HIS A 81 13.070 -12.680 4.123 1.00 0.00 C ATOM 1255 C HIS A 81 13.153 -11.349 3.383 1.00 0.00 C ATOM 1256 O HIS A 81 12.313 -10.488 3.558 1.00 0.00 O ATOM 1257 CB HIS A 81 11.989 -13.570 3.508 1.00 0.00 C ATOM 1258 CG HIS A 81 11.968 -14.898 4.213 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.956 -15.252 5.093 1.00 0.00 N ATOM 1260 CD2 HIS A 81 12.827 -15.968 4.180 1.00 0.00 C ATOM 1261 CE1 HIS A 81 11.229 -16.488 5.548 1.00 0.00 C ATOM 1262 NE2 HIS A 81 12.358 -16.972 5.022 1.00 0.00 N ATOM 0 H HIS A 81 12.056 -11.588 5.648 1.00 0.00 H new ATOM 0 HA HIS A 81 14.049 -13.156 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.015 -13.087 3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.183 -13.714 2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.730 -16.023 3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.611 -17.024 6.253 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.784 -17.882 5.199 1.00 0.00 H new ATOM 1270 N LEU A 82 14.157 -11.154 2.573 1.00 0.00 N ATOM 1271 CA LEU A 82 14.266 -9.858 1.864 1.00 0.00 C ATOM 1272 C LEU A 82 14.906 -10.030 0.482 1.00 0.00 C ATOM 1273 O LEU A 82 15.844 -10.782 0.305 1.00 0.00 O ATOM 1274 CB LEU A 82 15.131 -8.984 2.784 1.00 0.00 C ATOM 1275 CG LEU A 82 16.550 -9.536 2.869 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.467 -8.474 3.480 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.580 -10.790 3.751 1.00 0.00 C ATOM 0 H LEU A 82 14.896 -11.829 2.376 1.00 0.00 H new ATOM 0 HA LEU A 82 13.291 -9.409 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.155 -7.962 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.689 -8.946 3.780 1.00 0.00 H new ATOM 0 HG LEU A 82 16.890 -9.796 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.483 -8.863 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.459 -7.582 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.113 -8.219 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.599 -11.174 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.235 -10.538 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.927 -11.551 3.324 1.00 0.00 H new ATOM 1289 N PHE A 83 14.397 -9.330 -0.497 1.00 0.00 N ATOM 1290 CA PHE A 83 14.962 -9.433 -1.871 1.00 0.00 C ATOM 1291 C PHE A 83 15.736 -8.154 -2.206 1.00 0.00 C ATOM 1292 O PHE A 83 16.153 -7.431 -1.323 1.00 0.00 O ATOM 1293 CB PHE A 83 13.745 -9.601 -2.781 1.00 0.00 C ATOM 1294 CG PHE A 83 13.458 -11.073 -2.948 1.00 0.00 C ATOM 1295 CD1 PHE A 83 13.241 -11.875 -1.821 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.416 -11.636 -4.228 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.981 -13.243 -1.976 1.00 0.00 C ATOM 1298 CE2 PHE A 83 13.155 -13.004 -4.383 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.938 -13.806 -3.257 1.00 0.00 C ATOM 0 H PHE A 83 13.610 -8.688 -0.402 1.00 0.00 H new ATOM 0 HA PHE A 83 15.661 -10.261 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.880 -9.095 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.934 -9.141 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.274 -11.440 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.585 -11.016 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.814 -13.863 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 83 13.121 -13.439 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.737 -14.860 -3.376 1.00 0.00 H new ATOM 1309 N SER A 84 15.943 -7.869 -3.464 1.00 0.00 N ATOM 1310 CA SER A 84 16.708 -6.638 -3.827 1.00 0.00 C ATOM 1311 C SER A 84 15.774 -5.526 -4.334 1.00 0.00 C ATOM 1312 O SER A 84 16.227 -4.504 -4.807 1.00 0.00 O ATOM 1313 CB SER A 84 17.660 -7.081 -4.936 1.00 0.00 C ATOM 1314 OG SER A 84 18.488 -8.129 -4.452 1.00 0.00 O ATOM 0 H SER A 84 15.619 -8.430 -4.252 1.00 0.00 H new ATOM 0 HA SER A 84 17.233 -6.224 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.094 -7.420 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.272 -6.240 -5.264 1.00 0.00 H new ATOM 0 HG SER A 84 19.099 -8.417 -5.162 1.00 0.00 H new ATOM 1320 N THR A 85 14.480 -5.706 -4.233 1.00 0.00 N ATOM 1321 CA THR A 85 13.534 -4.641 -4.702 1.00 0.00 C ATOM 1322 C THR A 85 12.119 -4.926 -4.185 1.00 0.00 C ATOM 1323 O THR A 85 11.803 -6.039 -3.809 1.00 0.00 O ATOM 1324 CB THR A 85 13.547 -4.704 -6.234 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.863 -4.954 -6.704 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.048 -3.373 -6.801 1.00 0.00 C ATOM 0 H THR A 85 14.037 -6.540 -3.848 1.00 0.00 H new ATOM 0 HA THR A 85 13.831 -3.658 -4.336 1.00 0.00 H new ATOM 0 HB THR A 85 12.894 -5.513 -6.562 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.481 -4.305 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.056 -3.415 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.032 -3.187 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.700 -2.567 -6.464 1.00 0.00 H new ATOM 1334 N ILE A 86 11.259 -3.936 -4.166 1.00 0.00 N ATOM 1335 CA ILE A 86 9.868 -4.173 -3.676 1.00 0.00 C ATOM 1336 C ILE A 86 9.094 -5.082 -4.654 1.00 0.00 C ATOM 1337 O ILE A 86 8.597 -6.115 -4.247 1.00 0.00 O ATOM 1338 CB ILE A 86 9.235 -2.780 -3.566 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.661 -2.144 -2.241 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.706 -2.885 -3.611 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.798 -1.154 -2.495 1.00 0.00 C ATOM 0 H ILE A 86 11.459 -2.982 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 86 9.850 -4.688 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 86 9.570 -2.167 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.815 -1.633 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.985 -2.915 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.270 -1.889 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.400 -3.341 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.359 -3.500 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.103 -0.700 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.646 -1.679 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.457 -0.376 -3.179 1.00 0.00 H new ATOM 1353 N PRO A 87 9.008 -4.695 -5.914 1.00 0.00 N ATOM 1354 CA PRO A 87 8.281 -5.527 -6.904 1.00 0.00 C ATOM 1355 C PRO A 87 8.863 -6.942 -6.929 1.00 0.00 C ATOM 1356 O PRO A 87 8.141 -7.919 -6.975 1.00 0.00 O ATOM 1357 CB PRO A 87 8.536 -4.791 -8.223 1.00 0.00 C ATOM 1358 CG PRO A 87 9.398 -3.548 -7.934 1.00 0.00 C ATOM 1359 CD PRO A 87 9.614 -3.438 -6.420 1.00 0.00 C ATOM 0 HA PRO A 87 7.219 -5.646 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.044 -5.447 -8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.591 -4.498 -8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.356 -3.626 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.906 -2.651 -8.311 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.671 -3.367 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.126 -2.557 -6.004 1.00 0.00 H new ATOM 1367 N GLU A 88 10.163 -7.058 -6.881 1.00 0.00 N ATOM 1368 CA GLU A 88 10.791 -8.412 -6.882 1.00 0.00 C ATOM 1369 C GLU A 88 10.320 -9.190 -5.650 1.00 0.00 C ATOM 1370 O GLU A 88 9.999 -10.359 -5.725 1.00 0.00 O ATOM 1371 CB GLU A 88 12.299 -8.154 -6.816 1.00 0.00 C ATOM 1372 CG GLU A 88 13.052 -9.475 -6.986 1.00 0.00 C ATOM 1373 CD GLU A 88 13.264 -9.753 -8.476 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.356 -9.483 -9.244 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.333 -10.231 -8.822 1.00 0.00 O ATOM 0 H GLU A 88 10.817 -6.276 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 88 10.525 -9.000 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.593 -7.453 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.559 -7.696 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.013 -9.427 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.488 -10.289 -6.530 1.00 0.00 H new ATOM 1382 N LEU A 89 10.267 -8.534 -4.520 1.00 0.00 N ATOM 1383 CA LEU A 89 9.806 -9.215 -3.273 1.00 0.00 C ATOM 1384 C LEU A 89 8.350 -9.660 -3.434 1.00 0.00 C ATOM 1385 O LEU A 89 8.031 -10.827 -3.322 1.00 0.00 O ATOM 1386 CB LEU A 89 9.923 -8.150 -2.178 1.00 0.00 C ATOM 1387 CG LEU A 89 10.493 -8.778 -0.907 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.185 -7.701 -0.070 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.356 -9.401 -0.095 1.00 0.00 C ATOM 0 H LEU A 89 10.524 -7.553 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 89 10.391 -10.105 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.568 -7.338 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.944 -7.716 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 89 11.216 -9.549 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.591 -8.150 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.994 -7.255 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.463 -6.930 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.760 -9.850 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.634 -8.629 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.862 -10.169 -0.690 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.540 -4.047 -6.603 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.163 -3.045 -7.521 1.00 0.00 C ATOM 1664 C TYR A 106 -7.265 -1.799 -7.660 1.00 0.00 C ATOM 1665 O TYR A 106 -6.881 -1.209 -6.670 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.500 -2.666 -6.879 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.115 -1.547 -7.684 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.546 -1.783 -8.993 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.219 -0.268 -7.134 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.088 -0.738 -9.750 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -10.756 0.779 -7.891 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.192 0.543 -9.200 1.00 0.00 C ATOM 1673 OH TYR A 106 -11.723 1.575 -9.948 1.00 0.00 O ATOM 0 HA TYR A 106 -8.296 -3.454 -8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.167 -3.528 -6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.349 -2.352 -5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.461 -2.771 -9.420 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.885 -0.087 -6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.426 -0.921 -10.759 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.834 1.769 -7.466 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.724 2.398 -9.416 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.962 -1.429 -8.889 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.111 -0.239 -9.143 1.00 0.00 C ATOM 1685 C PRO A 107 -6.799 1.062 -8.703 1.00 0.00 C ATOM 1686 O PRO A 107 -7.863 1.413 -9.176 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.936 -0.266 -10.666 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.700 -1.477 -11.232 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.432 -2.177 -10.082 1.00 0.00 C ATOM 0 HA PRO A 107 -5.173 -0.268 -8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.313 0.657 -11.106 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.879 -0.333 -10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.412 -1.153 -11.992 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.009 -2.167 -11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.514 -2.118 -10.196 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.175 -3.235 -10.023 1.00 0.00 H new