USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 875 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 58 THR OG1 : rot -68:sc= 1.15 USER MOD Set 1.2: A 67 HIS : no HE2:sc= -2.9! K(o=-1.7!,f=-4.1) USER MOD Set 2.1: A 23 TYR OH : rot -101:sc=0.000358 USER MOD Set 2.2: A 34 MET CE :methyl 148:sc= -6.27! (180deg=-6.48!) USER MOD Set 3.1: A 14 ASN :FLIP amide:sc= -0.163 F(o=-4.1,f=-2.5) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -2.32 K(o=-2.5,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.445 (180deg=-0.805) USER MOD Single : A 22 TYR OH : rot -12:sc= 0.155 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -150:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 30:sc= 0.373 USER MOD Single : A 71 ASN : amide:sc= -1.01 K(o=-1,f=-1.9) USER MOD Single : A 76 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.23) USER MOD Single : A 81 THR OG1 : rot 32:sc= 0.104 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 30:sc= -1.79! USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0.29 (180deg=0.134) USER MOD Single : A 98 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.23) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -130:sc= 0 (180deg=-1.29) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -56:sc= 0.046 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.726 -10.063 -9.091 1.00 0.00 N ATOM 151 CA ASN A 14 -3.356 -9.034 -8.127 1.00 0.00 C ATOM 152 C ASN A 14 -2.692 -7.850 -8.824 1.00 0.00 C ATOM 153 O ASN A 14 -1.469 -7.713 -8.840 1.00 0.00 O ATOM 154 CB ASN A 14 -2.414 -9.611 -7.069 1.00 0.00 C ATOM 155 CG ASN A 14 -2.989 -10.840 -6.392 1.00 0.00 C ATOM 156 OD1 ASN A 14 -3.569 -10.648 -5.213 1.00 0.00 O flip ATOM 157 ND2 ASN A 14 -2.911 -11.948 -6.922 1.00 0.00 N flip ATOM 0 HA ASN A 14 -4.266 -8.683 -7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.463 -9.868 -7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.206 -8.849 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.456 -12.048 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.301 -12.766 -6.454 1.00 0.00 H new ATOM 164 N PRO A 15 -3.517 -6.972 -9.414 1.00 0.00 N ATOM 165 CA PRO A 15 -3.033 -5.783 -10.122 1.00 0.00 C ATOM 166 C PRO A 15 -2.445 -4.743 -9.174 1.00 0.00 C ATOM 167 O PRO A 15 -1.554 -3.980 -9.549 1.00 0.00 O ATOM 168 CB PRO A 15 -4.292 -5.237 -10.800 1.00 0.00 C ATOM 169 CG PRO A 15 -5.419 -5.732 -9.962 1.00 0.00 C ATOM 170 CD PRO A 15 -4.986 -7.072 -9.434 1.00 0.00 C ATOM 0 HA PRO A 15 -2.228 -6.022 -10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.278 -4.148 -10.842 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.375 -5.594 -11.826 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.631 -5.041 -9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.333 -5.821 -10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.389 -7.261 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.325 -7.885 -10.076 1.00 0.00 H new ATOM 178 N HIS A 16 -2.949 -4.718 -7.944 1.00 0.00 N ATOM 179 CA HIS A 16 -2.472 -3.772 -6.942 1.00 0.00 C ATOM 180 C HIS A 16 -0.971 -3.926 -6.719 1.00 0.00 C ATOM 181 O HIS A 16 -0.234 -2.941 -6.688 1.00 0.00 O ATOM 182 CB HIS A 16 -3.218 -3.974 -5.623 1.00 0.00 C ATOM 183 CG HIS A 16 -3.354 -5.412 -5.226 1.00 0.00 C ATOM 184 ND1 HIS A 16 -4.312 -6.251 -5.753 1.00 0.00 N ATOM 185 CD2 HIS A 16 -2.643 -6.159 -4.349 1.00 0.00 C ATOM 186 CE1 HIS A 16 -4.187 -7.451 -5.216 1.00 0.00 C ATOM 187 NE2 HIS A 16 -3.181 -7.422 -4.361 1.00 0.00 N ATOM 0 H HIS A 16 -3.687 -5.342 -7.618 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.665 -2.764 -7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.695 -3.435 -4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.211 -3.533 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.808 -5.824 -3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.803 -8.310 -5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.856 -8.210 -3.801 1.00 0.00 H new ATOM 196 N GLU A 17 -0.525 -5.169 -6.565 1.00 0.00 N ATOM 197 CA GLU A 17 0.889 -5.451 -6.344 1.00 0.00 C ATOM 198 C GLU A 17 1.759 -4.669 -7.324 1.00 0.00 C ATOM 199 O GLU A 17 2.930 -4.402 -7.054 1.00 0.00 O ATOM 200 CB GLU A 17 1.161 -6.950 -6.487 1.00 0.00 C ATOM 201 CG GLU A 17 0.410 -7.803 -5.479 1.00 0.00 C ATOM 202 CD GLU A 17 0.725 -9.280 -5.616 1.00 0.00 C ATOM 203 OE1 GLU A 17 1.917 -9.622 -5.762 1.00 0.00 O ATOM 204 OE2 GLU A 17 -0.221 -10.094 -5.576 1.00 0.00 O ATOM 0 H GLU A 17 -1.122 -5.996 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 17 1.142 -5.138 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.887 -7.266 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.231 -7.129 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.661 -7.474 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.662 -7.650 -5.606 1.00 0.00 H new ATOM 211 N SER A 18 1.178 -4.305 -8.462 1.00 0.00 N ATOM 212 CA SER A 18 1.901 -3.557 -9.484 1.00 0.00 C ATOM 213 C SER A 18 1.802 -2.056 -9.232 1.00 0.00 C ATOM 214 O SER A 18 2.777 -1.322 -9.389 1.00 0.00 O ATOM 215 CB SER A 18 1.351 -3.890 -10.873 1.00 0.00 C ATOM 216 OG SER A 18 2.115 -3.260 -11.888 1.00 0.00 O ATOM 0 H SER A 18 0.209 -4.516 -8.700 1.00 0.00 H new ATOM 0 HA SER A 18 2.951 -3.846 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.361 -4.970 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.312 -3.569 -10.943 1.00 0.00 H new ATOM 0 HG SER A 18 1.745 -3.489 -12.766 1.00 0.00 H new ATOM 222 N LYS A 19 0.615 -1.606 -8.839 1.00 0.00 N ATOM 223 CA LYS A 19 0.385 -0.192 -8.562 1.00 0.00 C ATOM 224 C LYS A 19 1.599 0.433 -7.883 1.00 0.00 C ATOM 225 O LYS A 19 2.249 -0.178 -7.034 1.00 0.00 O ATOM 226 CB LYS A 19 -0.852 -0.019 -7.679 1.00 0.00 C ATOM 227 CG LYS A 19 -2.133 -0.522 -8.322 1.00 0.00 C ATOM 228 CD LYS A 19 -2.613 0.416 -9.417 1.00 0.00 C ATOM 229 CE LYS A 19 -4.085 0.198 -9.732 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.622 1.257 -10.632 1.00 0.00 N ATOM 0 H LYS A 19 -0.203 -2.200 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 19 0.220 0.317 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.695 -0.549 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.968 1.037 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.966 -1.515 -8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.908 -0.622 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.455 1.449 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.020 0.259 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.216 -0.777 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.657 0.185 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.490 0.915 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.837 2.109 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.914 1.487 -11.358 1.00 0.00 H new ATOM 244 N PRO A 20 1.913 1.681 -8.262 1.00 0.00 N ATOM 245 CA PRO A 20 3.049 2.417 -7.700 1.00 0.00 C ATOM 246 C PRO A 20 2.822 2.811 -6.244 1.00 0.00 C ATOM 247 O PRO A 20 3.740 2.758 -5.426 1.00 0.00 O ATOM 248 CB PRO A 20 3.137 3.663 -8.584 1.00 0.00 C ATOM 249 CG PRO A 20 1.757 3.851 -9.113 1.00 0.00 C ATOM 250 CD PRO A 20 1.182 2.470 -9.268 1.00 0.00 C ATOM 0 HA PRO A 20 3.959 1.818 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.463 4.532 -8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.855 3.525 -9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.155 4.450 -8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.773 4.377 -10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.108 2.459 -9.084 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.337 2.081 -10.274 1.00 0.00 H new ATOM 258 N TRP A 21 1.594 3.206 -5.928 1.00 0.00 N ATOM 259 CA TRP A 21 1.246 3.609 -4.570 1.00 0.00 C ATOM 260 C TRP A 21 1.262 2.411 -3.627 1.00 0.00 C ATOM 261 O TRP A 21 1.036 2.553 -2.425 1.00 0.00 O ATOM 262 CB TRP A 21 -0.132 4.272 -4.550 1.00 0.00 C ATOM 263 CG TRP A 21 -1.162 3.526 -5.343 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.592 3.816 -6.606 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.892 2.368 -4.924 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.546 2.907 -6.997 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.747 2.008 -5.984 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.905 1.598 -3.757 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.605 0.914 -5.909 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.758 0.513 -3.685 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.598 0.179 -4.756 1.00 0.00 C ATOM 0 H TRP A 21 0.823 3.256 -6.593 1.00 0.00 H new ATOM 0 HA TRP A 21 1.991 4.327 -4.228 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.471 4.358 -3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.045 5.285 -4.942 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.235 4.638 -7.209 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.027 2.903 -7.897 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.260 1.847 -2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.254 0.655 -6.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.778 -0.088 -2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.253 -0.676 -4.669 1.00 0.00 H new ATOM 282 N TYR A 22 1.530 1.233 -4.178 1.00 0.00 N ATOM 283 CA TYR A 22 1.572 0.010 -3.384 1.00 0.00 C ATOM 284 C TYR A 22 2.993 -0.283 -2.911 1.00 0.00 C ATOM 285 O TYR A 22 3.967 0.084 -3.568 1.00 0.00 O ATOM 286 CB TYR A 22 1.041 -1.170 -4.199 1.00 0.00 C ATOM 287 CG TYR A 22 1.033 -2.477 -3.438 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.220 -3.079 -3.040 1.00 0.00 C ATOM 289 CD2 TYR A 22 -0.162 -3.109 -3.117 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.218 -4.273 -2.346 1.00 0.00 C ATOM 291 CE2 TYR A 22 -0.174 -4.302 -2.421 1.00 0.00 C ATOM 292 CZ TYR A 22 1.018 -4.881 -2.038 1.00 0.00 C ATOM 293 OH TYR A 22 1.012 -6.069 -1.345 1.00 0.00 O ATOM 0 H TYR A 22 1.721 1.098 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 22 0.939 0.153 -2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.027 -0.945 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.650 -1.285 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.161 -2.605 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.097 -2.660 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.150 -4.728 -2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.112 -4.779 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 22 1.921 -6.434 -1.314 1.00 0.00 H new ATOM 303 N TYR A 23 3.102 -0.947 -1.765 1.00 0.00 N ATOM 304 CA TYR A 23 4.402 -1.288 -1.201 1.00 0.00 C ATOM 305 C TYR A 23 4.405 -2.717 -0.664 1.00 0.00 C ATOM 306 O TYR A 23 3.392 -3.207 -0.166 1.00 0.00 O ATOM 307 CB TYR A 23 4.769 -0.311 -0.083 1.00 0.00 C ATOM 308 CG TYR A 23 5.005 1.102 -0.567 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.065 1.399 -1.414 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.167 2.140 -0.177 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.285 2.689 -1.858 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.378 3.432 -0.617 1.00 0.00 C ATOM 313 CZ TYR A 23 5.438 3.701 -1.458 1.00 0.00 C ATOM 314 OH TYR A 23 5.653 4.988 -1.898 1.00 0.00 O ATOM 0 H TYR A 23 2.306 -1.259 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 23 5.144 -1.216 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.970 -0.303 0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.667 -0.669 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.729 0.608 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.336 1.933 0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.115 2.903 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.717 4.227 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 23 6.088 5.508 -1.190 1.00 0.00 H new ATOM 324 N ASP A 24 5.552 -3.379 -0.770 1.00 0.00 N ATOM 325 CA ASP A 24 5.690 -4.750 -0.294 1.00 0.00 C ATOM 326 C ASP A 24 6.711 -4.834 0.836 1.00 0.00 C ATOM 327 O ASP A 24 6.579 -5.653 1.746 1.00 0.00 O ATOM 328 CB ASP A 24 6.105 -5.672 -1.442 1.00 0.00 C ATOM 329 CG ASP A 24 4.913 -6.263 -2.169 1.00 0.00 C ATOM 330 OD1 ASP A 24 4.034 -6.841 -1.497 1.00 0.00 O ATOM 331 OD2 ASP A 24 4.860 -6.147 -3.411 1.00 0.00 O ATOM 0 H ASP A 24 6.400 -2.988 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 24 4.723 -5.073 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.718 -5.114 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.725 -6.479 -1.051 1.00 0.00 H new ATOM 336 N ARG A 25 7.728 -3.982 0.772 1.00 0.00 N ATOM 337 CA ARG A 25 8.773 -3.961 1.788 1.00 0.00 C ATOM 338 C ARG A 25 8.547 -2.821 2.777 1.00 0.00 C ATOM 339 O ARG A 25 8.919 -2.916 3.947 1.00 0.00 O ATOM 340 CB ARG A 25 10.148 -3.817 1.134 1.00 0.00 C ATOM 341 CG ARG A 25 10.390 -2.448 0.519 1.00 0.00 C ATOM 342 CD ARG A 25 11.506 -2.490 -0.513 1.00 0.00 C ATOM 343 NE ARG A 25 12.813 -2.225 0.083 1.00 0.00 N ATOM 344 CZ ARG A 25 13.561 -3.159 0.660 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.134 -4.413 0.718 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.740 -2.839 1.179 1.00 0.00 N ATOM 0 H ARG A 25 7.851 -3.297 0.027 1.00 0.00 H new ATOM 0 HA ARG A 25 8.734 -4.905 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.918 -4.012 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.254 -4.577 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.473 -2.091 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.645 -1.735 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.518 -3.468 -0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.307 -1.754 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 25 13.171 -1.270 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.229 -4.663 0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.710 -5.128 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.072 -1.876 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.314 -3.557 1.622 1.00 0.00 H new ATOM 360 N LEU A 26 7.935 -1.743 2.299 1.00 0.00 N ATOM 361 CA LEU A 26 7.659 -0.583 3.140 1.00 0.00 C ATOM 362 C LEU A 26 7.176 -1.015 4.521 1.00 0.00 C ATOM 363 O LEU A 26 6.453 -2.002 4.656 1.00 0.00 O ATOM 364 CB LEU A 26 6.612 0.314 2.479 1.00 0.00 C ATOM 365 CG LEU A 26 6.363 1.664 3.152 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.346 2.705 2.640 1.00 0.00 C ATOM 367 CD2 LEU A 26 4.930 2.120 2.918 1.00 0.00 C ATOM 0 H LEU A 26 7.620 -1.648 1.333 1.00 0.00 H new ATOM 0 HA LEU A 26 8.586 -0.022 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.917 0.495 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.668 -0.230 2.441 1.00 0.00 H new ATOM 0 HG LEU A 26 6.515 1.547 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.153 3.659 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.364 2.383 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.226 2.820 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.771 3.083 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.750 2.220 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.242 1.385 3.335 1.00 0.00 H new ATOM 379 N SER A 27 7.579 -0.268 5.544 1.00 0.00 N ATOM 380 CA SER A 27 7.189 -0.574 6.915 1.00 0.00 C ATOM 381 C SER A 27 6.687 0.677 7.629 1.00 0.00 C ATOM 382 O SER A 27 7.038 1.799 7.260 1.00 0.00 O ATOM 383 CB SER A 27 8.369 -1.174 7.681 1.00 0.00 C ATOM 384 OG SER A 27 9.476 -0.290 7.687 1.00 0.00 O ATOM 0 H SER A 27 8.176 0.554 5.449 1.00 0.00 H new ATOM 0 HA SER A 27 6.378 -1.302 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.068 -1.392 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.658 -2.121 7.226 1.00 0.00 H new ATOM 0 HG SER A 27 10.216 -0.696 8.184 1.00 0.00 H new ATOM 390 N ARG A 28 5.865 0.477 8.654 1.00 0.00 N ATOM 391 CA ARG A 28 5.314 1.588 9.420 1.00 0.00 C ATOM 392 C ARG A 28 6.408 2.579 9.804 1.00 0.00 C ATOM 393 O ARG A 28 6.150 3.771 9.971 1.00 0.00 O ATOM 394 CB ARG A 28 4.615 1.070 10.679 1.00 0.00 C ATOM 395 CG ARG A 28 5.535 0.303 11.615 1.00 0.00 C ATOM 396 CD ARG A 28 4.944 0.193 13.011 1.00 0.00 C ATOM 397 NE ARG A 28 5.034 1.453 13.745 1.00 0.00 N ATOM 398 CZ ARG A 28 5.008 1.534 15.070 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.896 0.435 15.804 1.00 0.00 N ATOM 400 NH2 ARG A 28 5.095 2.717 15.665 1.00 0.00 N ATOM 0 H ARG A 28 5.566 -0.444 8.973 1.00 0.00 H new ATOM 0 HA ARG A 28 4.585 2.103 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.184 1.914 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.788 0.423 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.713 -0.695 11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.502 0.803 11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.900 -0.111 12.939 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.466 -0.587 13.565 1.00 0.00 H new ATOM 0 HE ARG A 28 5.122 2.317 13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.830 -0.476 15.351 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.876 0.501 16.822 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.182 3.565 15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.075 2.779 16.683 1.00 0.00 H new ATOM 414 N GLY A 29 7.632 2.078 9.943 1.00 0.00 N ATOM 415 CA GLY A 29 8.747 2.933 10.307 1.00 0.00 C ATOM 416 C GLY A 29 8.996 4.027 9.288 1.00 0.00 C ATOM 417 O GLY A 29 9.400 5.133 9.642 1.00 0.00 O ATOM 0 H GLY A 29 7.871 1.095 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.552 3.384 11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.647 2.327 10.412 1.00 0.00 H new ATOM 421 N GLU A 30 8.754 3.716 8.018 1.00 0.00 N ATOM 422 CA GLU A 30 8.958 4.681 6.944 1.00 0.00 C ATOM 423 C GLU A 30 7.629 5.283 6.494 1.00 0.00 C ATOM 424 O GLU A 30 7.524 6.489 6.278 1.00 0.00 O ATOM 425 CB GLU A 30 9.658 4.017 5.757 1.00 0.00 C ATOM 426 CG GLU A 30 11.098 3.627 6.040 1.00 0.00 C ATOM 427 CD GLU A 30 12.066 4.776 5.834 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.348 5.112 4.665 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.541 5.339 6.843 1.00 0.00 O ATOM 0 H GLU A 30 8.417 2.804 7.708 1.00 0.00 H new ATOM 0 HA GLU A 30 9.590 5.483 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.099 3.127 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.635 4.697 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.178 3.269 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.380 2.798 5.390 1.00 0.00 H new ATOM 436 N ALA A 31 6.618 4.431 6.355 1.00 0.00 N ATOM 437 CA ALA A 31 5.297 4.877 5.932 1.00 0.00 C ATOM 438 C ALA A 31 4.946 6.224 6.556 1.00 0.00 C ATOM 439 O ALA A 31 4.782 7.220 5.852 1.00 0.00 O ATOM 440 CB ALA A 31 4.247 3.837 6.295 1.00 0.00 C ATOM 0 H ALA A 31 6.689 3.429 6.529 1.00 0.00 H new ATOM 0 HA ALA A 31 5.312 5.000 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.265 4.184 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.480 2.895 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.242 3.686 7.374 1.00 0.00 H new ATOM 446 N GLU A 32 4.833 6.246 7.880 1.00 0.00 N ATOM 447 CA GLU A 32 4.500 7.472 8.597 1.00 0.00 C ATOM 448 C GLU A 32 5.327 8.646 8.081 1.00 0.00 C ATOM 449 O GLU A 32 4.784 9.621 7.561 1.00 0.00 O ATOM 450 CB GLU A 32 4.734 7.290 10.098 1.00 0.00 C ATOM 451 CG GLU A 32 3.781 6.300 10.747 1.00 0.00 C ATOM 452 CD GLU A 32 4.349 5.687 12.012 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.588 5.698 12.171 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.556 5.196 12.842 1.00 0.00 O ATOM 0 H GLU A 32 4.967 5.430 8.478 1.00 0.00 H new ATOM 0 HA GLU A 32 3.446 7.689 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.758 6.954 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.633 8.256 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.843 6.804 10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.548 5.507 10.037 1.00 0.00 H new ATOM 461 N ASP A 33 6.643 8.545 8.229 1.00 0.00 N ATOM 462 CA ASP A 33 7.547 9.597 7.778 1.00 0.00 C ATOM 463 C ASP A 33 7.179 10.063 6.373 1.00 0.00 C ATOM 464 O ASP A 33 6.921 11.246 6.148 1.00 0.00 O ATOM 465 CB ASP A 33 8.994 9.101 7.802 1.00 0.00 C ATOM 466 CG ASP A 33 9.985 10.221 8.053 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.645 11.155 8.808 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.100 10.163 7.493 1.00 0.00 O ATOM 0 H ASP A 33 7.108 7.745 8.658 1.00 0.00 H new ATOM 0 HA ASP A 33 7.450 10.442 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.103 8.343 8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.226 8.620 6.852 1.00 0.00 H new ATOM 473 N MET A 34 7.157 9.126 5.430 1.00 0.00 N ATOM 474 CA MET A 34 6.821 9.442 4.047 1.00 0.00 C ATOM 475 C MET A 34 5.696 10.471 3.982 1.00 0.00 C ATOM 476 O MET A 34 5.833 11.515 3.343 1.00 0.00 O ATOM 477 CB MET A 34 6.411 8.173 3.297 1.00 0.00 C ATOM 478 CG MET A 34 7.582 7.430 2.675 1.00 0.00 C ATOM 479 SD MET A 34 7.115 6.516 1.192 1.00 0.00 S ATOM 480 CE MET A 34 5.536 5.838 1.695 1.00 0.00 C ATOM 0 H MET A 34 7.368 8.142 5.599 1.00 0.00 H new ATOM 0 HA MET A 34 7.706 9.867 3.572 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.892 7.506 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.701 8.437 2.513 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.368 8.142 2.426 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.999 6.739 3.407 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.882 5.757 0.827 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.686 4.850 2.130 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.077 6.494 2.435 1.00 0.00 H new ATOM 490 N LEU A 35 4.586 10.170 4.647 1.00 0.00 N ATOM 491 CA LEU A 35 3.438 11.069 4.665 1.00 0.00 C ATOM 492 C LEU A 35 3.828 12.440 5.207 1.00 0.00 C ATOM 493 O LEU A 35 3.443 13.470 4.653 1.00 0.00 O ATOM 494 CB LEU A 35 2.312 10.474 5.512 1.00 0.00 C ATOM 495 CG LEU A 35 1.313 9.584 4.772 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.598 10.372 3.687 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.017 8.372 4.178 1.00 0.00 C ATOM 0 H LEU A 35 4.457 9.310 5.181 1.00 0.00 H new ATOM 0 HA LEU A 35 3.087 11.191 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.759 9.892 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.763 11.293 5.977 1.00 0.00 H new ATOM 0 HG LEU A 35 0.569 9.233 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.109 9.722 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.061 11.207 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.328 10.753 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.291 7.750 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.783 8.704 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.482 7.794 4.976 1.00 0.00 H new ATOM 509 N MET A 36 4.595 12.445 6.292 1.00 0.00 N ATOM 510 CA MET A 36 5.040 13.690 6.907 1.00 0.00 C ATOM 511 C MET A 36 5.825 14.538 5.912 1.00 0.00 C ATOM 512 O MET A 36 5.882 15.762 6.034 1.00 0.00 O ATOM 513 CB MET A 36 5.901 13.397 8.137 1.00 0.00 C ATOM 514 CG MET A 36 5.322 12.322 9.043 1.00 0.00 C ATOM 515 SD MET A 36 5.800 12.536 10.768 1.00 0.00 S ATOM 516 CE MET A 36 4.285 12.067 11.600 1.00 0.00 C ATOM 0 H MET A 36 4.921 11.601 6.763 1.00 0.00 H new ATOM 0 HA MET A 36 4.157 14.249 7.216 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.894 13.089 7.810 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.025 14.316 8.710 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.235 12.335 8.967 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.654 11.343 8.697 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.422 12.148 12.678 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.478 12.729 11.286 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.032 11.039 11.342 1.00 0.00 H new ATOM 526 N ARG A 37 6.430 13.880 4.928 1.00 0.00 N ATOM 527 CA ARG A 37 7.213 14.573 3.913 1.00 0.00 C ATOM 528 C ARG A 37 6.304 15.206 2.863 1.00 0.00 C ATOM 529 O ARG A 37 6.696 16.150 2.177 1.00 0.00 O ATOM 530 CB ARG A 37 8.189 13.605 3.242 1.00 0.00 C ATOM 531 CG ARG A 37 9.416 13.296 4.084 1.00 0.00 C ATOM 532 CD ARG A 37 10.189 12.110 3.528 1.00 0.00 C ATOM 533 NE ARG A 37 11.174 12.518 2.530 1.00 0.00 N ATOM 534 CZ ARG A 37 12.304 13.149 2.828 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.592 13.442 4.088 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.150 13.487 1.863 1.00 0.00 N ATOM 0 H ARG A 37 6.392 12.867 4.813 1.00 0.00 H new ATOM 0 HA ARG A 37 7.778 15.365 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.668 12.674 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.509 14.027 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.065 14.171 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.111 13.085 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.693 11.591 4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.492 11.401 3.081 1.00 0.00 H new ATOM 0 HE ARG A 37 10.984 12.307 1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.945 13.183 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.461 13.927 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.932 13.262 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.018 13.972 2.092 1.00 0.00 H new ATOM 550 N ILE A 38 5.091 14.679 2.744 1.00 0.00 N ATOM 551 CA ILE A 38 4.127 15.192 1.778 1.00 0.00 C ATOM 552 C ILE A 38 3.378 16.397 2.337 1.00 0.00 C ATOM 553 O ILE A 38 2.676 16.311 3.344 1.00 0.00 O ATOM 554 CB ILE A 38 3.107 14.111 1.372 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.803 12.758 1.210 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.401 14.507 0.084 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.900 12.763 0.169 1.00 0.00 C ATOM 0 H ILE A 38 4.752 13.897 3.304 1.00 0.00 H new ATOM 0 HA ILE A 38 4.693 15.495 0.897 1.00 0.00 H new ATOM 0 HB ILE A 38 2.360 14.022 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.225 12.459 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.061 12.007 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.684 13.734 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.878 15.452 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.135 14.620 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.349 11.771 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.480 13.031 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.663 13.490 0.448 1.00 0.00 H new ATOM 569 N PRO A 39 3.528 17.549 1.666 1.00 0.00 N ATOM 570 CA PRO A 39 2.872 18.794 2.076 1.00 0.00 C ATOM 571 C PRO A 39 1.363 18.752 1.861 1.00 0.00 C ATOM 572 O PRO A 39 0.660 19.725 2.136 1.00 0.00 O ATOM 573 CB PRO A 39 3.512 19.848 1.168 1.00 0.00 C ATOM 574 CG PRO A 39 3.958 19.091 -0.035 1.00 0.00 C ATOM 575 CD PRO A 39 4.350 17.725 0.457 1.00 0.00 C ATOM 0 HA PRO A 39 3.002 18.992 3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.798 20.628 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.351 20.338 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.159 19.025 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.799 19.588 -0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.142 16.955 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.415 17.670 0.683 1.00 0.00 H new ATOM 583 N ARG A 40 0.871 17.620 1.368 1.00 0.00 N ATOM 584 CA ARG A 40 -0.555 17.452 1.116 1.00 0.00 C ATOM 585 C ARG A 40 -1.220 16.678 2.250 1.00 0.00 C ATOM 586 O ARG A 40 -0.762 15.601 2.632 1.00 0.00 O ATOM 587 CB ARG A 40 -0.777 16.725 -0.211 1.00 0.00 C ATOM 588 CG ARG A 40 -0.052 17.363 -1.385 1.00 0.00 C ATOM 589 CD ARG A 40 -0.709 18.669 -1.802 1.00 0.00 C ATOM 590 NE ARG A 40 -0.142 19.195 -3.041 1.00 0.00 N ATOM 591 CZ ARG A 40 -0.546 20.324 -3.613 1.00 0.00 C ATOM 592 NH1 ARG A 40 -1.513 21.043 -3.059 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.019 20.737 -4.740 1.00 0.00 N ATOM 0 H ARG A 40 1.439 16.806 1.135 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.008 18.442 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.446 15.692 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.845 16.698 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.988 17.547 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.045 16.673 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.780 18.511 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.589 19.405 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 40 0.605 18.667 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.949 20.730 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.821 21.909 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.764 20.188 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.292 21.604 -5.178 1.00 0.00 H new ATOM 607 N ASP A 41 -2.302 17.234 2.784 1.00 0.00 N ATOM 608 CA ASP A 41 -3.031 16.597 3.874 1.00 0.00 C ATOM 609 C ASP A 41 -4.067 15.615 3.334 1.00 0.00 C ATOM 610 O ASP A 41 -5.085 15.358 3.974 1.00 0.00 O ATOM 611 CB ASP A 41 -3.715 17.652 4.745 1.00 0.00 C ATOM 612 CG ASP A 41 -2.910 18.933 4.841 1.00 0.00 C ATOM 613 OD1 ASP A 41 -1.665 18.858 4.778 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.526 20.011 4.978 1.00 0.00 O ATOM 0 H ASP A 41 -2.694 18.125 2.479 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.315 16.044 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.700 17.875 4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.871 17.248 5.745 1.00 0.00 H new ATOM 619 N GLY A 42 -3.799 15.071 2.151 1.00 0.00 N ATOM 620 CA GLY A 42 -4.717 14.125 1.545 1.00 0.00 C ATOM 621 C GLY A 42 -4.001 12.968 0.876 1.00 0.00 C ATOM 622 O GLY A 42 -4.573 12.281 0.031 1.00 0.00 O ATOM 0 H GLY A 42 -2.963 15.269 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.391 13.738 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.333 14.642 0.809 1.00 0.00 H new ATOM 626 N ALA A 43 -2.745 12.754 1.254 1.00 0.00 N ATOM 627 CA ALA A 43 -1.950 11.673 0.686 1.00 0.00 C ATOM 628 C ALA A 43 -2.270 10.343 1.360 1.00 0.00 C ATOM 629 O ALA A 43 -2.653 10.305 2.529 1.00 0.00 O ATOM 630 CB ALA A 43 -0.466 11.987 0.811 1.00 0.00 C ATOM 0 H ALA A 43 -2.256 13.315 1.951 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.204 11.585 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.116 11.171 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.243 12.911 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.206 12.105 1.863 1.00 0.00 H new ATOM 636 N PHE A 44 -2.112 9.254 0.615 1.00 0.00 N ATOM 637 CA PHE A 44 -2.386 7.922 1.140 1.00 0.00 C ATOM 638 C PHE A 44 -1.479 6.882 0.487 1.00 0.00 C ATOM 639 O PHE A 44 -0.938 7.107 -0.596 1.00 0.00 O ATOM 640 CB PHE A 44 -3.853 7.552 0.911 1.00 0.00 C ATOM 641 CG PHE A 44 -4.150 7.126 -0.499 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.376 8.069 -1.488 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.203 5.782 -0.834 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.650 7.679 -2.786 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.477 5.387 -2.130 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.700 6.337 -3.107 1.00 0.00 C ATOM 0 H PHE A 44 -1.795 9.268 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.184 7.933 2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.127 6.745 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.479 8.408 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.338 9.120 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.028 5.035 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.825 8.424 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.517 4.337 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.913 6.031 -4.121 1.00 0.00 H new ATOM 656 N LEU A 45 -1.318 5.745 1.154 1.00 0.00 N ATOM 657 CA LEU A 45 -0.477 4.670 0.640 1.00 0.00 C ATOM 658 C LEU A 45 -0.927 3.318 1.185 1.00 0.00 C ATOM 659 O LEU A 45 -1.468 3.232 2.288 1.00 0.00 O ATOM 660 CB LEU A 45 0.986 4.920 1.009 1.00 0.00 C ATOM 661 CG LEU A 45 1.391 4.548 2.436 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.815 3.089 2.508 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.511 5.455 2.927 1.00 0.00 C ATOM 0 H LEU A 45 -1.759 5.544 2.052 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.574 4.654 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.615 4.361 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.203 5.977 0.855 1.00 0.00 H new ATOM 0 HG LEU A 45 0.527 4.687 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.100 2.843 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.985 2.453 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.665 2.924 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.786 5.176 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.378 5.349 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.172 6.491 2.914 1.00 0.00 H new ATOM 675 N ILE A 46 -0.698 2.266 0.407 1.00 0.00 N ATOM 676 CA ILE A 46 -1.077 0.918 0.814 1.00 0.00 C ATOM 677 C ILE A 46 0.133 -0.010 0.837 1.00 0.00 C ATOM 678 O ILE A 46 0.715 -0.314 -0.204 1.00 0.00 O ATOM 679 CB ILE A 46 -2.145 0.327 -0.124 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.420 1.172 -0.078 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.445 -1.115 0.257 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.463 0.748 -1.088 1.00 0.00 C ATOM 0 H ILE A 46 -0.252 2.321 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.491 0.996 1.819 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.759 0.340 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.849 1.113 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.161 2.216 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.202 -1.519 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.535 -1.709 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.814 -1.151 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.339 1.391 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.052 0.834 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.751 -0.286 -0.901 1.00 0.00 H new ATOM 694 N ARG A 47 0.506 -0.457 2.032 1.00 0.00 N ATOM 695 CA ARG A 47 1.646 -1.352 2.191 1.00 0.00 C ATOM 696 C ARG A 47 1.207 -2.697 2.762 1.00 0.00 C ATOM 697 O ARG A 47 0.136 -2.810 3.359 1.00 0.00 O ATOM 698 CB ARG A 47 2.696 -0.716 3.104 1.00 0.00 C ATOM 699 CG ARG A 47 2.469 -0.996 4.580 1.00 0.00 C ATOM 700 CD ARG A 47 3.344 -0.113 5.456 1.00 0.00 C ATOM 701 NE ARG A 47 3.267 -0.490 6.865 1.00 0.00 N ATOM 702 CZ ARG A 47 2.269 -0.137 7.667 1.00 0.00 C ATOM 703 NH1 ARG A 47 1.268 0.598 7.201 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.270 -0.520 8.937 1.00 0.00 N ATOM 0 H ARG A 47 0.036 -0.214 2.904 1.00 0.00 H new ATOM 0 HA ARG A 47 2.084 -1.521 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.682 -1.084 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.700 0.362 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.420 -0.829 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.683 -2.044 4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.378 -0.180 5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.038 0.927 5.342 1.00 0.00 H new ATOM 0 HE ARG A 47 4.021 -1.056 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.264 0.893 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.503 0.868 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.038 -1.086 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.503 -0.248 9.552 1.00 0.00 H new ATOM 718 N LYS A 48 2.040 -3.714 2.575 1.00 0.00 N ATOM 719 CA LYS A 48 1.740 -5.052 3.071 1.00 0.00 C ATOM 720 C LYS A 48 2.503 -5.337 4.361 1.00 0.00 C ATOM 721 O LYS A 48 3.695 -5.049 4.465 1.00 0.00 O ATOM 722 CB LYS A 48 2.093 -6.101 2.015 1.00 0.00 C ATOM 723 CG LYS A 48 1.689 -7.513 2.402 1.00 0.00 C ATOM 724 CD LYS A 48 1.920 -8.492 1.262 1.00 0.00 C ATOM 725 CE LYS A 48 3.347 -9.017 1.259 1.00 0.00 C ATOM 726 NZ LYS A 48 3.482 -10.263 2.064 1.00 0.00 N ATOM 0 H LYS A 48 2.930 -3.637 2.083 1.00 0.00 H new ATOM 0 HA LYS A 48 0.672 -5.103 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.606 -5.837 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.168 -6.076 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.259 -7.829 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.637 -7.526 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.224 -9.326 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.710 -8.002 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.660 -9.212 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.016 -8.254 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.469 -10.589 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.208 -10.072 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.863 -11.000 1.669 1.00 0.00 H new ATOM 740 N ARG A 49 1.807 -5.906 5.340 1.00 0.00 N ATOM 741 CA ARG A 49 2.420 -6.231 6.623 1.00 0.00 C ATOM 742 C ARG A 49 2.911 -7.675 6.641 1.00 0.00 C ATOM 743 O ARG A 49 2.171 -8.587 7.011 1.00 0.00 O ATOM 744 CB ARG A 49 1.422 -6.005 7.760 1.00 0.00 C ATOM 745 CG ARG A 49 1.364 -4.566 8.244 1.00 0.00 C ATOM 746 CD ARG A 49 0.203 -4.345 9.200 1.00 0.00 C ATOM 747 NE ARG A 49 0.336 -3.096 9.945 1.00 0.00 N ATOM 748 CZ ARG A 49 1.233 -2.905 10.905 1.00 0.00 C ATOM 749 NH1 ARG A 49 2.072 -3.876 11.236 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.293 -1.739 11.537 1.00 0.00 N ATOM 0 H ARG A 49 0.819 -6.151 5.270 1.00 0.00 H new ATOM 0 HA ARG A 49 3.277 -5.573 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.429 -6.307 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.686 -6.650 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.300 -4.311 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.265 -3.897 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.731 -4.334 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.145 -5.179 9.899 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.295 -2.328 9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.030 -4.773 10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.760 -3.726 11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.650 -0.989 11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.983 -1.593 12.274 1.00 0.00 H new ATOM 812 N SER A 54 -3.029 -9.634 6.209 1.00 0.00 N ATOM 813 CA SER A 54 -3.803 -8.401 6.134 1.00 0.00 C ATOM 814 C SER A 54 -2.906 -7.216 5.789 1.00 0.00 C ATOM 815 O SER A 54 -1.755 -7.149 6.219 1.00 0.00 O ATOM 816 CB SER A 54 -4.521 -8.142 7.461 1.00 0.00 C ATOM 817 OG SER A 54 -3.713 -7.374 8.336 1.00 0.00 O ATOM 0 HA SER A 54 -4.545 -8.515 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.459 -7.619 7.275 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.773 -9.092 7.933 1.00 0.00 H new ATOM 0 HG SER A 54 -3.925 -7.606 9.264 1.00 0.00 H new ATOM 823 N TYR A 55 -3.443 -6.284 5.009 1.00 0.00 N ATOM 824 CA TYR A 55 -2.691 -5.102 4.604 1.00 0.00 C ATOM 825 C TYR A 55 -3.087 -3.890 5.442 1.00 0.00 C ATOM 826 O TYR A 55 -3.960 -3.977 6.305 1.00 0.00 O ATOM 827 CB TYR A 55 -2.924 -4.808 3.120 1.00 0.00 C ATOM 828 CG TYR A 55 -2.694 -6.003 2.223 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.681 -6.965 2.046 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.489 -6.170 1.551 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.474 -8.059 1.228 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.274 -7.260 0.730 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.269 -8.202 0.572 1.00 0.00 C ATOM 834 OH TYR A 55 -2.060 -9.289 -0.245 1.00 0.00 O ATOM 0 H TYR A 55 -4.395 -6.324 4.645 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.632 -5.303 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.946 -4.454 2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.262 -3.999 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.626 -6.856 2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.707 -5.435 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.251 -8.798 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.332 -7.374 0.215 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.161 -9.239 -0.632 1.00 0.00 H new ATOM 844 N ALA A 56 -2.438 -2.760 5.180 1.00 0.00 N ATOM 845 CA ALA A 56 -2.722 -1.529 5.906 1.00 0.00 C ATOM 846 C ALA A 56 -2.556 -0.310 5.007 1.00 0.00 C ATOM 847 O ALA A 56 -1.706 -0.295 4.116 1.00 0.00 O ATOM 848 CB ALA A 56 -1.819 -1.416 7.126 1.00 0.00 C ATOM 0 H ALA A 56 -1.711 -2.672 4.470 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.760 -1.563 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.042 -0.492 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.991 -2.266 7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.777 -1.409 6.808 1.00 0.00 H new ATOM 854 N ILE A 57 -3.372 0.711 5.245 1.00 0.00 N ATOM 855 CA ILE A 57 -3.314 1.936 4.456 1.00 0.00 C ATOM 856 C ILE A 57 -2.984 3.139 5.333 1.00 0.00 C ATOM 857 O ILE A 57 -3.707 3.449 6.280 1.00 0.00 O ATOM 858 CB ILE A 57 -4.643 2.197 3.724 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.547 3.475 2.889 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.787 2.294 4.722 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.765 3.726 2.026 1.00 0.00 C ATOM 0 H ILE A 57 -4.081 0.715 5.978 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.523 1.800 3.718 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.842 1.361 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.403 4.325 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.665 3.417 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.720 2.479 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.865 1.360 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.597 3.113 5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.627 4.648 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.899 2.894 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.647 3.816 2.659 1.00 0.00 H new ATOM 873 N THR A 58 -1.887 3.817 5.009 1.00 0.00 N ATOM 874 CA THR A 58 -1.461 4.988 5.766 1.00 0.00 C ATOM 875 C THR A 58 -1.779 6.275 5.013 1.00 0.00 C ATOM 876 O THR A 58 -1.616 6.349 3.795 1.00 0.00 O ATOM 877 CB THR A 58 0.049 4.942 6.068 1.00 0.00 C ATOM 878 OG1 THR A 58 0.383 3.707 6.711 1.00 0.00 O ATOM 879 CG2 THR A 58 0.458 6.109 6.954 1.00 0.00 C ATOM 0 H THR A 58 -1.278 3.575 4.228 1.00 0.00 H new ATOM 0 HA THR A 58 -2.013 4.975 6.706 1.00 0.00 H new ATOM 0 HB THR A 58 0.589 5.016 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.016 3.686 7.606 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.528 6.056 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.229 7.047 6.448 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.090 6.061 7.895 1.00 0.00 H new ATOM 887 N PHE A 59 -2.232 7.287 5.745 1.00 0.00 N ATOM 888 CA PHE A 59 -2.573 8.572 5.146 1.00 0.00 C ATOM 889 C PHE A 59 -2.117 9.725 6.036 1.00 0.00 C ATOM 890 O PHE A 59 -1.623 9.511 7.143 1.00 0.00 O ATOM 891 CB PHE A 59 -4.081 8.662 4.906 1.00 0.00 C ATOM 892 CG PHE A 59 -4.900 8.024 5.991 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.137 6.659 5.986 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.432 8.788 7.017 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.891 6.069 6.982 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.187 8.204 8.017 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.416 6.842 8.000 1.00 0.00 C ATOM 0 H PHE A 59 -2.372 7.242 6.754 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.055 8.648 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.365 9.711 4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.318 8.186 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.728 6.049 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.255 9.853 7.036 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.070 5.004 6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.597 8.812 8.810 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.004 6.382 8.781 1.00 0.00 H new ATOM 907 N ARG A 60 -2.287 10.947 5.543 1.00 0.00 N ATOM 908 CA ARG A 60 -1.893 12.134 6.292 1.00 0.00 C ATOM 909 C ARG A 60 -3.088 13.056 6.519 1.00 0.00 C ATOM 910 O ARG A 60 -3.464 13.828 5.638 1.00 0.00 O ATOM 911 CB ARG A 60 -0.788 12.888 5.549 1.00 0.00 C ATOM 912 CG ARG A 60 -0.352 14.168 6.242 1.00 0.00 C ATOM 913 CD ARG A 60 0.558 15.001 5.353 1.00 0.00 C ATOM 914 NE ARG A 60 1.468 15.837 6.131 1.00 0.00 N ATOM 915 CZ ARG A 60 1.119 17.000 6.670 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.114 17.461 6.516 1.00 0.00 N ATOM 917 NH2 ARG A 60 2.004 17.703 7.365 1.00 0.00 N ATOM 0 H ARG A 60 -2.695 11.141 4.628 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.515 11.812 7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.076 12.233 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.136 13.129 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.231 14.753 6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.168 13.923 7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.136 14.341 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.049 15.632 4.704 1.00 0.00 H new ATOM 0 HE ARG A 60 2.424 15.510 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.797 16.923 5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.380 18.354 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.954 17.351 7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.735 18.596 7.778 1.00 0.00 H new ATOM 931 N ALA A 61 -3.679 12.968 7.706 1.00 0.00 N ATOM 932 CA ALA A 61 -4.829 13.795 8.049 1.00 0.00 C ATOM 933 C ALA A 61 -4.492 15.278 7.941 1.00 0.00 C ATOM 934 O ALA A 61 -3.404 15.646 7.498 1.00 0.00 O ATOM 935 CB ALA A 61 -5.318 13.463 9.451 1.00 0.00 C ATOM 0 H ALA A 61 -3.380 12.333 8.446 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.626 13.579 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.177 14.088 9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.608 12.413 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.519 13.649 10.169 1.00 0.00 H new ATOM 941 N ARG A 62 -5.431 16.125 8.350 1.00 0.00 N ATOM 942 CA ARG A 62 -5.232 17.568 8.297 1.00 0.00 C ATOM 943 C ARG A 62 -3.801 17.935 8.677 1.00 0.00 C ATOM 944 O ARG A 62 -3.286 18.975 8.270 1.00 0.00 O ATOM 945 CB ARG A 62 -6.216 18.274 9.232 1.00 0.00 C ATOM 946 CG ARG A 62 -7.657 18.224 8.751 1.00 0.00 C ATOM 947 CD ARG A 62 -7.902 19.213 7.622 1.00 0.00 C ATOM 948 NE ARG A 62 -8.195 20.553 8.123 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.861 21.468 7.428 1.00 0.00 C ATOM 950 NH1 ARG A 62 -9.301 21.189 6.208 1.00 0.00 N ATOM 951 NH2 ARG A 62 -9.088 22.666 7.952 1.00 0.00 N ATOM 0 H ARG A 62 -6.336 15.837 8.721 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.413 17.897 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.156 17.818 10.220 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.915 19.316 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.893 17.216 8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.327 18.445 9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.025 19.251 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.734 18.865 7.009 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.870 20.800 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.128 20.270 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.812 21.894 5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.751 22.885 8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.600 23.368 7.417 1.00 0.00 H new ATOM 965 N GLY A 63 -3.163 17.071 9.462 1.00 0.00 N ATOM 966 CA GLY A 63 -1.797 17.322 9.884 1.00 0.00 C ATOM 967 C GLY A 63 -1.116 16.076 10.414 1.00 0.00 C ATOM 968 O GLY A 63 0.100 15.924 10.293 1.00 0.00 O ATOM 0 H GLY A 63 -3.568 16.203 9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.226 17.714 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.794 18.091 10.657 1.00 0.00 H new ATOM 972 N LYS A 64 -1.900 15.181 11.006 1.00 0.00 N ATOM 973 CA LYS A 64 -1.367 13.941 11.557 1.00 0.00 C ATOM 974 C LYS A 64 -1.358 12.837 10.505 1.00 0.00 C ATOM 975 O LYS A 64 -1.641 13.081 9.332 1.00 0.00 O ATOM 976 CB LYS A 64 -2.193 13.500 12.767 1.00 0.00 C ATOM 977 CG LYS A 64 -2.432 14.609 13.778 1.00 0.00 C ATOM 978 CD LYS A 64 -3.694 15.393 13.458 1.00 0.00 C ATOM 979 CE LYS A 64 -4.228 16.115 14.685 1.00 0.00 C ATOM 980 NZ LYS A 64 -5.033 15.213 15.554 1.00 0.00 N ATOM 0 H LYS A 64 -2.908 15.292 11.116 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.340 14.125 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.155 13.122 12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.684 12.673 13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.512 14.181 14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.576 15.284 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.484 16.117 12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.456 14.716 13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.395 16.522 15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.842 16.959 14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.379 15.743 16.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.843 14.844 15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.441 14.421 15.875 1.00 0.00 H new ATOM 994 N VAL A 65 -1.032 11.621 10.932 1.00 0.00 N ATOM 995 CA VAL A 65 -0.988 10.479 10.027 1.00 0.00 C ATOM 996 C VAL A 65 -1.526 9.222 10.702 1.00 0.00 C ATOM 997 O VAL A 65 -0.880 8.652 11.581 1.00 0.00 O ATOM 998 CB VAL A 65 0.445 10.210 9.532 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.471 9.005 8.602 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.009 11.441 8.839 1.00 0.00 C ATOM 0 H VAL A 65 -0.794 11.402 11.899 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.618 10.727 9.173 1.00 0.00 H new ATOM 0 HB VAL A 65 1.073 9.987 10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.492 8.830 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.110 8.126 9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.170 9.196 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.022 11.233 8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.382 11.697 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.027 12.276 9.539 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.713 8.795 10.284 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.339 7.604 10.846 1.00 0.00 C ATOM 1012 C LYS A 66 -3.189 6.415 9.903 1.00 0.00 C ATOM 1013 O LYS A 66 -2.723 6.560 8.773 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.821 7.865 11.125 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.063 8.935 12.175 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.842 8.398 13.579 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.089 7.713 14.117 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.762 6.713 15.171 1.00 0.00 N ATOM 0 H LYS A 66 -3.261 9.256 9.558 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.836 7.367 11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.310 8.161 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.290 6.936 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.395 9.778 11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.082 9.311 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.012 7.692 13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.560 9.216 14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.767 8.462 14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.614 7.220 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.638 6.269 15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.135 5.984 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.284 7.187 15.963 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.589 5.238 10.374 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.502 4.023 9.572 1.00 0.00 C ATOM 1034 C HIS A 67 -4.799 3.223 9.653 1.00 0.00 C ATOM 1035 O HIS A 67 -5.721 3.591 10.381 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.328 3.162 10.038 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.034 3.911 10.130 1.00 0.00 C ATOM 1038 ND1 HIS A 67 0.130 3.479 9.531 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.726 5.072 10.754 1.00 0.00 C ATOM 1040 CE1 HIS A 67 1.099 4.340 9.785 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.606 5.317 10.525 1.00 0.00 N ATOM 0 H HIS A 67 -3.977 5.100 11.307 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.340 4.314 8.534 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.564 2.739 11.015 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.206 2.326 9.350 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.228 2.627 8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.402 5.691 11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.121 4.259 9.445 1.00 0.00 H new ATOM 1050 N CYS A 68 -4.862 2.131 8.900 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.047 1.280 8.886 1.00 0.00 C ATOM 1052 C CYS A 68 -5.684 -0.151 8.501 1.00 0.00 C ATOM 1053 O CYS A 68 -4.658 -0.392 7.865 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.087 1.835 7.912 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.227 3.028 8.650 1.00 0.00 S ATOM 0 H CYS A 68 -4.107 1.814 8.291 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.470 1.271 9.891 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.571 2.310 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.662 1.006 7.500 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.630 3.656 9.619 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.532 -1.096 8.893 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.300 -2.504 8.591 1.00 0.00 C ATOM 1063 C ARG A 69 -7.152 -2.955 7.409 1.00 0.00 C ATOM 1064 O ARG A 69 -8.216 -2.392 7.148 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.609 -3.367 9.816 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.821 -4.666 9.859 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.419 -4.449 10.408 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.397 -4.447 11.868 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.504 -5.546 12.606 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.640 -6.729 12.024 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.475 -5.463 13.930 1.00 0.00 N ATOM 0 H ARG A 69 -7.386 -0.913 9.420 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.250 -2.625 8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.396 -2.793 10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.674 -3.597 9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.347 -5.392 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.759 -5.089 8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.759 -5.233 10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.028 -3.501 10.038 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.294 -3.553 12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.663 -6.797 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.722 -7.571 12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.370 -4.555 14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.557 -6.308 14.496 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.678 -3.972 6.698 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.397 -4.499 5.545 1.00 0.00 C ATOM 1087 C ILE A 70 -7.281 -6.017 5.470 1.00 0.00 C ATOM 1088 O ILE A 70 -6.186 -6.559 5.323 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.875 -3.890 4.230 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.898 -2.362 4.305 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.705 -4.380 3.053 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.991 -1.693 3.296 1.00 0.00 C ATOM 0 H ILE A 70 -5.799 -4.448 6.900 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.444 -4.224 5.674 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.844 -4.212 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.919 -2.014 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.604 -2.051 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.324 -3.941 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.642 -5.466 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.745 -4.084 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.059 -0.611 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.962 -2.012 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.298 -1.974 2.288 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.418 -6.698 5.572 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.444 -8.155 5.515 1.00 0.00 C ATOM 1106 C ASN A 71 -9.088 -8.637 4.218 1.00 0.00 C ATOM 1107 O ASN A 71 -9.446 -7.835 3.356 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.204 -8.720 6.716 1.00 0.00 C ATOM 1109 CG ASN A 71 -8.709 -10.096 7.119 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -7.513 -10.381 7.055 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -9.630 -10.957 7.536 1.00 0.00 N ATOM 0 H ASN A 71 -9.333 -6.264 5.694 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.415 -8.513 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.102 -8.038 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.266 -8.775 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.357 -11.898 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.610 -10.677 7.573 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.233 -9.952 4.089 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.833 -10.541 2.899 1.00 0.00 C ATOM 1120 C ARG A 72 -10.840 -11.624 3.277 1.00 0.00 C ATOM 1121 O ARG A 72 -10.802 -12.161 4.384 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.750 -11.131 1.994 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.849 -10.083 1.360 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.127 -10.633 0.141 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.215 -11.720 0.489 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.747 -12.597 -0.391 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -6.104 -12.517 -1.666 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -4.921 -13.558 0.002 1.00 0.00 N ATOM 0 H ARG A 72 -8.943 -10.629 4.794 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.358 -9.753 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.138 -11.820 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.225 -11.714 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.444 -9.217 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.119 -9.739 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.859 -10.992 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.568 -9.831 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.922 -11.810 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.740 -11.780 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.743 -13.192 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.645 -13.624 0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.562 -14.231 -0.675 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.738 -11.939 2.350 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.755 -12.958 2.585 1.00 0.00 C ATOM 1144 C ASP A 73 -12.743 -14.004 1.475 1.00 0.00 C ATOM 1145 O ASP A 73 -13.786 -14.352 0.925 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.139 -12.315 2.682 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.127 -13.179 3.441 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.092 -13.165 4.689 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.936 -13.869 2.786 1.00 0.00 O ATOM 0 H ASP A 73 -11.783 -11.503 1.429 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.526 -13.453 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.053 -11.347 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.521 -12.128 1.678 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.553 -14.501 1.149 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.427 -15.501 0.105 1.00 0.00 C ATOM 1156 C GLY A 74 -10.942 -14.913 -1.205 1.00 0.00 C ATOM 1157 O GLY A 74 -9.775 -15.063 -1.566 1.00 0.00 O ATOM 0 H GLY A 74 -10.674 -14.229 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.734 -16.276 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.392 -15.982 -0.052 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.841 -14.244 -1.920 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.499 -13.635 -3.200 1.00 0.00 C ATOM 1163 C ARG A 75 -11.955 -12.179 -3.247 1.00 0.00 C ATOM 1164 O ARG A 75 -12.338 -11.672 -4.302 1.00 0.00 O ATOM 1165 CB ARG A 75 -12.138 -14.418 -4.348 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.657 -14.355 -4.358 1.00 0.00 C ATOM 1167 CD ARG A 75 -14.222 -14.761 -5.710 1.00 0.00 C ATOM 1168 NE ARG A 75 -14.456 -16.200 -5.796 1.00 0.00 N ATOM 1169 CZ ARG A 75 -15.321 -16.851 -5.027 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -16.030 -16.195 -4.119 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -15.478 -18.161 -5.165 1.00 0.00 N ATOM 0 H ARG A 75 -12.811 -14.110 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.415 -13.663 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.761 -14.031 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.827 -15.461 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.055 -15.012 -3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.982 -13.343 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.158 -14.231 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.531 -14.458 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.926 -16.734 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.912 -15.188 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.694 -16.697 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.934 -18.669 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.143 -18.660 -4.574 1.00 0.00 H new ATOM 1185 N HIS A 76 -11.910 -11.513 -2.098 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.318 -10.115 -2.008 1.00 0.00 C ATOM 1187 C HIS A 76 -11.449 -9.359 -1.008 1.00 0.00 C ATOM 1188 O HIS A 76 -10.571 -9.939 -0.369 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.788 -10.016 -1.601 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.740 -10.262 -2.731 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.962 -10.880 -2.564 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.646 -9.968 -4.048 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -16.576 -10.957 -3.731 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.799 -10.410 -4.648 1.00 0.00 N ATOM 0 H HIS A 76 -11.595 -11.918 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.190 -9.661 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -13.986 -10.736 -0.807 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.976 -9.025 -1.187 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.818 -9.477 -4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.548 -11.393 -3.906 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -16.020 -10.329 -5.641 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.698 -8.060 -0.879 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.937 -7.223 0.042 1.00 0.00 C ATOM 1205 C PHE A 77 -11.866 -6.483 0.999 1.00 0.00 C ATOM 1206 O PHE A 77 -12.714 -5.697 0.575 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.082 -6.220 -0.735 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.736 -6.758 -1.129 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.596 -7.552 -2.256 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.611 -6.469 -0.373 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.359 -8.048 -2.622 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.372 -6.962 -0.734 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.245 -7.754 -1.859 1.00 0.00 C ATOM 0 H PHE A 77 -12.421 -7.564 -1.400 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.284 -7.871 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.620 -5.915 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.943 -5.326 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.463 -7.786 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.704 -5.852 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.263 -8.665 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.503 -6.728 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.278 -8.142 -2.141 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.701 -6.740 2.293 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.524 -6.099 3.311 1.00 0.00 C ATOM 1225 C VAL A 78 -11.714 -5.090 4.117 1.00 0.00 C ATOM 1226 O VAL A 78 -10.981 -5.457 5.036 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.135 -7.135 4.273 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.978 -6.445 5.335 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.962 -8.153 3.503 1.00 0.00 C ATOM 0 H VAL A 78 -11.004 -7.388 2.661 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.328 -5.581 2.788 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.324 -7.664 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.402 -7.193 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.353 -5.758 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.784 -5.889 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.386 -8.878 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.767 -7.643 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.326 -8.669 2.784 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.850 -3.815 3.766 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.131 -2.751 4.457 1.00 0.00 C ATOM 1241 C LEU A 79 -11.826 -2.384 5.765 1.00 0.00 C ATOM 1242 O LEU A 79 -11.286 -2.602 6.849 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.023 -1.516 3.560 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.203 -0.352 4.117 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.569 0.444 2.987 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.073 0.548 4.982 1.00 0.00 C ATOM 0 H LEU A 79 -12.451 -3.494 3.007 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.130 -3.114 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.586 -1.820 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.030 -1.156 3.348 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.406 -0.760 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.990 1.268 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.912 -0.206 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.350 0.841 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.473 1.371 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.892 0.947 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.479 -0.028 5.813 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.029 -1.828 5.654 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.778 -1.442 6.835 1.00 0.00 C ATOM 1260 C GLY A 80 -15.096 -2.183 6.953 1.00 0.00 C ATOM 1261 O GLY A 80 -15.129 -3.414 6.934 1.00 0.00 O ATOM 0 H GLY A 80 -13.497 -1.638 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.176 -1.635 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.969 -0.369 6.806 1.00 0.00 H new ATOM 1265 N THR A 81 -16.186 -1.432 7.079 1.00 0.00 N ATOM 1266 CA THR A 81 -17.512 -2.025 7.203 1.00 0.00 C ATOM 1267 C THR A 81 -18.244 -2.021 5.866 1.00 0.00 C ATOM 1268 O THR A 81 -18.367 -0.982 5.218 1.00 0.00 O ATOM 1269 CB THR A 81 -18.365 -1.278 8.245 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.499 0.098 7.872 1.00 0.00 O ATOM 1271 CG2 THR A 81 -17.739 -1.375 9.628 1.00 0.00 C ATOM 0 H THR A 81 -16.176 -0.412 7.098 1.00 0.00 H new ATOM 0 HA THR A 81 -17.369 -3.054 7.532 1.00 0.00 H new ATOM 0 HB THR A 81 -19.350 -1.744 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.496 0.174 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.360 -0.840 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.665 -2.422 9.921 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.743 -0.933 9.608 1.00 0.00 H new ATOM 1279 N SER A 82 -18.728 -3.190 5.459 1.00 0.00 N ATOM 1280 CA SER A 82 -19.446 -3.322 4.197 1.00 0.00 C ATOM 1281 C SER A 82 -18.637 -2.729 3.047 1.00 0.00 C ATOM 1282 O SER A 82 -19.176 -2.030 2.190 1.00 0.00 O ATOM 1283 CB SER A 82 -20.808 -2.631 4.285 1.00 0.00 C ATOM 1284 OG SER A 82 -21.796 -3.514 4.787 1.00 0.00 O ATOM 0 H SER A 82 -18.636 -4.059 5.985 1.00 0.00 H new ATOM 0 HA SER A 82 -19.597 -4.384 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.735 -1.757 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.103 -2.274 3.298 1.00 0.00 H new ATOM 0 HG SER A 82 -22.657 -3.048 4.835 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.339 -3.015 3.037 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.454 -2.512 1.993 1.00 0.00 C ATOM 1292 C ALA A 83 -15.825 -3.659 1.208 1.00 0.00 C ATOM 1293 O ALA A 83 -14.811 -4.222 1.619 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.373 -1.628 2.597 1.00 0.00 C ATOM 0 H ALA A 83 -16.877 -3.592 3.740 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.050 -1.916 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.720 -1.260 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.836 -0.784 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.787 -2.206 3.311 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.434 -3.999 0.077 1.00 0.00 N ATOM 1301 CA TYR A 84 -15.935 -5.081 -0.763 1.00 0.00 C ATOM 1302 C TYR A 84 -15.372 -4.537 -2.073 1.00 0.00 C ATOM 1303 O TYR A 84 -15.861 -3.541 -2.607 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.051 -6.086 -1.053 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.190 -7.158 0.004 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.586 -6.840 1.296 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -16.925 -8.490 -0.291 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.714 -7.816 2.265 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.052 -9.473 0.671 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.446 -9.131 1.948 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.573 -10.107 2.910 1.00 0.00 O ATOM 0 H TYR A 84 -17.273 -3.541 -0.279 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.133 -5.585 -0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -17.996 -5.551 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.861 -6.560 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.798 -5.811 1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.615 -8.761 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.022 -7.551 3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.844 -10.504 0.425 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.348 -10.979 2.523 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.340 -5.199 -2.586 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.708 -4.784 -3.833 1.00 0.00 C ATOM 1323 C PHE A 85 -12.883 -5.920 -4.429 1.00 0.00 C ATOM 1324 O PHE A 85 -12.074 -6.541 -3.740 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.818 -3.562 -3.596 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.562 -2.375 -3.053 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -13.725 -2.208 -1.687 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.098 -1.426 -3.909 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.408 -1.117 -1.185 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.782 -0.333 -3.412 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.938 -0.179 -2.048 1.00 0.00 C ATOM 0 H PHE A 85 -13.924 -6.025 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.495 -4.521 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.022 -3.831 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.340 -3.283 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.313 -2.939 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.980 -1.542 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.527 -0.998 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.194 0.400 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.474 0.674 -1.658 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.095 -6.186 -5.714 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.371 -7.249 -6.403 1.00 0.00 C ATOM 1343 C GLU A 86 -10.868 -7.122 -6.173 1.00 0.00 C ATOM 1344 O GLU A 86 -10.165 -8.121 -6.023 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.673 -7.213 -7.902 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.310 -8.498 -8.628 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.686 -8.465 -10.096 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -13.714 -7.840 -10.431 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.954 -9.065 -10.910 1.00 0.00 O ATOM 0 H GLU A 86 -13.761 -5.681 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.704 -8.203 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.735 -7.012 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.128 -6.384 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.238 -8.673 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.813 -9.337 -8.147 1.00 0.00 H new ATOM 1356 N SER A 87 -10.382 -5.885 -6.146 1.00 0.00 N ATOM 1357 CA SER A 87 -8.962 -5.625 -5.939 1.00 0.00 C ATOM 1358 C SER A 87 -8.748 -4.262 -5.288 1.00 0.00 C ATOM 1359 O SER A 87 -9.489 -3.313 -5.549 1.00 0.00 O ATOM 1360 CB SER A 87 -8.210 -5.692 -7.269 1.00 0.00 C ATOM 1361 OG SER A 87 -8.834 -4.879 -8.248 1.00 0.00 O ATOM 0 H SER A 87 -10.951 -5.047 -6.265 1.00 0.00 H new ATOM 0 HA SER A 87 -8.571 -6.392 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.180 -5.367 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.173 -6.724 -7.618 1.00 0.00 H new ATOM 0 HG SER A 87 -8.334 -4.937 -9.089 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.730 -4.172 -4.440 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.416 -2.925 -3.750 1.00 0.00 C ATOM 1369 C LEU A 88 -7.553 -1.733 -4.692 1.00 0.00 C ATOM 1370 O LEU A 88 -7.898 -0.630 -4.268 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.998 -2.978 -3.179 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.799 -3.880 -1.960 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.355 -4.349 -1.874 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.203 -3.152 -0.686 1.00 0.00 C ATOM 0 H LEU A 88 -7.107 -4.947 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.126 -2.802 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.323 -3.311 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.698 -1.965 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.438 -4.756 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.232 -4.990 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.100 -4.909 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.696 -3.485 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.055 -3.809 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.591 -2.258 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.253 -2.867 -0.747 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.284 -1.963 -5.973 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.380 -0.909 -6.976 1.00 0.00 C ATOM 1388 C VAL A 89 -8.741 -0.223 -6.924 1.00 0.00 C ATOM 1389 O VAL A 89 -8.830 0.982 -6.695 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.151 -1.462 -8.395 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.193 -0.339 -9.420 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.828 -2.211 -8.467 1.00 0.00 C ATOM 0 H VAL A 89 -6.998 -2.870 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.601 -0.182 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.953 -2.163 -8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.029 -0.749 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.167 0.150 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.413 0.389 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.682 -2.595 -9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.012 -1.534 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.841 -3.041 -7.761 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.798 -1.001 -7.136 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.155 -0.467 -7.113 1.00 0.00 C ATOM 1404 C GLU A 90 -11.414 0.303 -5.821 1.00 0.00 C ATOM 1405 O GLU A 90 -11.808 1.470 -5.849 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.174 -1.599 -7.259 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.003 -2.412 -8.531 1.00 0.00 C ATOM 1408 CD GLU A 90 -11.882 -1.542 -9.767 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -12.691 -0.603 -9.914 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -10.977 -1.802 -10.588 1.00 0.00 O ATOM 0 H GLU A 90 -9.741 -2.002 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.263 0.220 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.091 -2.264 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.179 -1.177 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.114 -3.036 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.854 -3.084 -8.646 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.192 -0.358 -4.691 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.402 0.263 -3.387 1.00 0.00 C ATOM 1419 C LEU A 91 -10.945 1.718 -3.397 1.00 0.00 C ATOM 1420 O LEU A 91 -11.654 2.606 -2.923 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.651 -0.513 -2.304 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.901 -0.066 -0.863 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.733 -1.235 0.095 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.964 1.072 -0.487 1.00 0.00 C ATOM 0 H LEU A 91 -10.867 -1.324 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.469 0.239 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.919 -1.566 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.583 -0.438 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.927 0.295 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.915 -0.898 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.445 -2.020 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.719 -1.626 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.156 1.377 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.931 0.738 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.133 1.918 -1.154 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.756 1.955 -3.942 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.205 3.303 -4.017 1.00 0.00 C ATOM 1438 C VAL A 92 -10.149 4.243 -4.758 1.00 0.00 C ATOM 1439 O VAL A 92 -10.728 5.153 -4.164 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.834 3.311 -4.721 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.331 4.736 -4.893 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.831 2.473 -3.942 1.00 0.00 C ATOM 0 H VAL A 92 -9.156 1.231 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.081 3.651 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.950 2.870 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.362 4.722 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.041 5.302 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.229 5.206 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.868 2.489 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.716 2.883 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.189 1.446 -3.876 1.00 0.00 H new ATOM 1452 N SER A 93 -10.301 4.016 -6.058 1.00 0.00 N ATOM 1453 CA SER A 93 -11.174 4.844 -6.882 1.00 0.00 C ATOM 1454 C SER A 93 -12.493 5.123 -6.167 1.00 0.00 C ATOM 1455 O SER A 93 -12.915 6.273 -6.044 1.00 0.00 O ATOM 1456 CB SER A 93 -11.443 4.161 -8.224 1.00 0.00 C ATOM 1457 OG SER A 93 -11.848 5.102 -9.203 1.00 0.00 O ATOM 0 H SER A 93 -9.831 3.265 -6.564 1.00 0.00 H new ATOM 0 HA SER A 93 -10.670 5.794 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.543 3.646 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.217 3.403 -8.101 1.00 0.00 H new ATOM 0 HG SER A 93 -12.012 4.641 -10.052 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.138 4.061 -5.696 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.410 4.190 -4.995 1.00 0.00 C ATOM 1465 C TYR A 94 -14.270 5.093 -3.773 1.00 0.00 C ATOM 1466 O TYR A 94 -15.209 5.794 -3.395 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.923 2.813 -4.570 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.378 2.809 -4.159 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.789 3.424 -2.982 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.342 2.190 -4.945 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.118 3.423 -2.602 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.672 2.185 -4.574 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.055 2.803 -3.401 1.00 0.00 C ATOM 1474 OH TYR A 94 -20.379 2.798 -3.027 1.00 0.00 O ATOM 0 H TYR A 94 -12.801 3.103 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.128 4.643 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.785 2.113 -5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.318 2.450 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -16.058 3.911 -2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.046 1.704 -5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.421 3.905 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.408 1.700 -5.198 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.907 2.321 -3.700 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.092 5.070 -3.161 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.828 5.884 -1.981 1.00 0.00 C ATOM 1486 C TYR A 95 -12.586 7.340 -2.367 1.00 0.00 C ATOM 1487 O TYR A 95 -12.970 8.257 -1.642 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.618 5.339 -1.220 1.00 0.00 C ATOM 1489 CG TYR A 95 -11.972 4.282 -0.198 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -12.884 3.277 -0.495 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.393 4.289 1.066 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.210 2.310 0.436 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -11.713 3.325 2.002 1.00 0.00 C ATOM 1494 CZ TYR A 95 -12.622 2.338 1.683 1.00 0.00 C ATOM 1495 OH TYR A 95 -12.944 1.376 2.613 1.00 0.00 O ATOM 0 H TYR A 95 -12.304 4.496 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.705 5.839 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.909 4.919 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.114 6.164 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.346 3.251 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.681 5.061 1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.922 1.536 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.254 3.344 2.979 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.178 0.543 2.154 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.946 7.543 -3.515 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.652 8.887 -3.997 1.00 0.00 C ATOM 1507 C GLU A 96 -12.840 9.818 -3.771 1.00 0.00 C ATOM 1508 O GLU A 96 -12.685 10.930 -3.266 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.294 8.852 -5.484 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.952 8.199 -5.772 1.00 0.00 C ATOM 1511 CD GLU A 96 -9.432 8.520 -7.159 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.140 9.705 -7.424 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -9.317 7.586 -7.980 1.00 0.00 O ATOM 0 H GLU A 96 -11.622 6.794 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.800 9.269 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.073 8.315 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.283 9.871 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.225 8.529 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.048 7.118 -5.665 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.027 9.356 -4.150 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.243 10.144 -3.989 1.00 0.00 C ATOM 1522 C LYS A 97 -15.607 10.288 -2.515 1.00 0.00 C ATOM 1523 O LYS A 97 -15.932 11.381 -2.049 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.401 9.495 -4.750 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.355 9.737 -6.249 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.355 8.819 -6.932 1.00 0.00 C ATOM 1527 CE LYS A 97 -15.779 7.362 -6.833 1.00 0.00 C ATOM 1528 NZ LYS A 97 -15.175 6.534 -7.914 1.00 0.00 N ATOM 0 H LYS A 97 -14.173 8.439 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.059 11.137 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.391 8.421 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.343 9.878 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.346 9.578 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.088 10.776 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.258 9.100 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.373 8.945 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.484 6.963 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.866 7.295 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.694 5.637 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.229 7.048 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.179 6.338 -7.686 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.549 9.179 -1.784 1.00 0.00 N ATOM 1543 CA HIS A 98 -15.871 9.182 -0.362 1.00 0.00 C ATOM 1544 C HIS A 98 -14.685 9.675 0.462 1.00 0.00 C ATOM 1545 O HIS A 98 -13.661 10.080 -0.087 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.277 7.781 0.095 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.685 7.418 -0.264 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.098 6.119 -0.471 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.778 8.193 -0.451 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.384 6.111 -0.771 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.821 7.357 -0.765 1.00 0.00 N ATOM 0 H HIS A 98 -15.282 8.267 -2.154 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.708 9.863 -0.206 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -15.598 7.052 -0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -16.157 7.712 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.822 9.269 -0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -19.977 5.234 -0.985 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -20.778 7.651 -0.962 1.00 0.00 H new ATOM 1560 N ALA A 99 -14.833 9.639 1.782 1.00 0.00 N ATOM 1561 CA ALA A 99 -13.774 10.081 2.682 1.00 0.00 C ATOM 1562 C ALA A 99 -13.368 8.967 3.641 1.00 0.00 C ATOM 1563 O ALA A 99 -14.152 8.555 4.497 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.219 11.312 3.457 1.00 0.00 C ATOM 0 H ALA A 99 -15.676 9.308 2.252 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.904 10.340 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.419 11.631 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.452 12.117 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.106 11.072 4.043 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.140 8.484 3.493 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.630 7.416 4.347 1.00 0.00 C ATOM 1572 C LEU A 100 -11.538 7.876 5.798 1.00 0.00 C ATOM 1573 O LEU A 100 -11.976 7.176 6.711 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.255 6.958 3.858 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.394 6.211 4.877 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.988 4.843 5.176 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -7.965 6.076 4.372 1.00 0.00 C ATOM 0 H LEU A 100 -11.479 8.814 2.790 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.326 6.579 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.396 6.314 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.702 7.834 3.518 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.377 6.787 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.362 4.326 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.992 4.963 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.036 4.258 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.367 5.542 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.962 5.522 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.541 7.067 4.210 1.00 0.00 H new ATOM 1589 N TYR A 101 -10.969 9.059 6.004 1.00 0.00 N ATOM 1590 CA TYR A 101 -10.820 9.613 7.344 1.00 0.00 C ATOM 1591 C TYR A 101 -11.933 10.612 7.648 1.00 0.00 C ATOM 1592 O TYR A 101 -12.657 11.043 6.750 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.457 10.292 7.490 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.106 10.644 8.917 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.119 9.678 9.916 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -8.759 11.943 9.267 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -8.800 9.996 11.222 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.436 12.270 10.570 1.00 0.00 C ATOM 1599 CZ TYR A 101 -8.458 11.293 11.544 1.00 0.00 C ATOM 1600 OH TYR A 101 -8.138 11.613 12.843 1.00 0.00 O ATOM 0 H TYR A 101 -10.603 9.653 5.259 1.00 0.00 H new ATOM 0 HA TYR A 101 -10.888 8.792 8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -8.687 9.633 7.087 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.447 11.200 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.383 8.661 9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.741 12.711 8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.818 9.233 11.987 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.168 13.285 10.825 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.920 12.567 12.901 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.063 10.975 8.920 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.087 11.922 9.343 1.00 0.00 C ATOM 1612 C ARG A 102 -13.303 12.999 8.284 1.00 0.00 C ATOM 1613 O ARG A 102 -14.386 13.113 7.710 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.694 12.570 10.672 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.154 11.786 11.891 1.00 0.00 C ATOM 1616 CD ARG A 102 -12.110 10.771 12.327 1.00 0.00 C ATOM 1617 NE ARG A 102 -12.660 9.781 13.249 1.00 0.00 N ATOM 1618 CZ ARG A 102 -11.913 9.013 14.035 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -10.592 9.120 14.010 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -12.488 8.135 14.847 1.00 0.00 N ATOM 0 H ARG A 102 -11.472 10.628 9.675 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.020 11.375 9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.610 12.678 10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.116 13.574 10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.359 12.474 12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.089 11.273 11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.708 10.265 11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.279 11.289 12.805 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.673 9.673 13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.147 9.793 13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.021 8.529 14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.504 8.049 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.914 7.546 15.450 1.00 0.00 H new ATOM 1634 N LYS A 103 -12.264 13.789 8.031 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.338 14.857 7.041 1.00 0.00 C ATOM 1636 C LYS A 103 -11.135 14.816 6.106 1.00 0.00 C ATOM 1637 O LYS A 103 -10.260 15.680 6.166 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.412 16.219 7.735 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.012 17.312 6.868 1.00 0.00 C ATOM 1640 CD LYS A 103 -11.955 17.982 6.005 1.00 0.00 C ATOM 1641 CE LYS A 103 -12.488 19.248 5.353 1.00 0.00 C ATOM 1642 NZ LYS A 103 -13.553 18.953 4.355 1.00 0.00 N ATOM 0 H LYS A 103 -11.361 13.709 8.498 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.241 14.708 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.005 16.122 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.409 16.518 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.788 16.888 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -13.492 18.058 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.085 18.225 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.620 17.288 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.884 19.913 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -11.670 19.777 4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.890 19.842 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.169 18.340 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.346 18.471 4.825 1.00 0.00 H new ATOM 1656 N MET A 104 -11.097 13.808 5.241 1.00 0.00 N ATOM 1657 CA MET A 104 -10.001 13.656 4.291 1.00 0.00 C ATOM 1658 C MET A 104 -10.345 12.621 3.225 1.00 0.00 C ATOM 1659 O MET A 104 -11.040 11.642 3.498 1.00 0.00 O ATOM 1660 CB MET A 104 -8.719 13.250 5.019 1.00 0.00 C ATOM 1661 CG MET A 104 -7.452 13.568 4.242 1.00 0.00 C ATOM 1662 SD MET A 104 -6.112 12.414 4.596 1.00 0.00 S ATOM 1663 CE MET A 104 -6.538 11.057 3.507 1.00 0.00 C ATOM 0 H MET A 104 -11.813 13.084 5.178 1.00 0.00 H new ATOM 0 HA MET A 104 -9.842 14.617 3.801 1.00 0.00 H new ATOM 0 HB2 MET A 104 -8.682 13.758 5.983 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.751 12.180 5.224 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.671 13.548 3.174 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.127 14.580 4.482 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.526 10.123 4.068 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.534 11.220 3.095 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.814 11.002 2.694 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.854 12.844 2.010 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.111 11.931 0.903 1.00 0.00 C ATOM 1675 C ARG A 105 -8.818 11.587 0.170 1.00 0.00 C ATOM 1676 O ARG A 105 -7.815 12.291 0.294 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.114 12.548 -0.074 1.00 0.00 C ATOM 1678 CG ARG A 105 -12.361 13.097 0.600 1.00 0.00 C ATOM 1679 CD ARG A 105 -13.447 13.419 -0.415 1.00 0.00 C ATOM 1680 NE ARG A 105 -13.251 14.730 -1.029 1.00 0.00 N ATOM 1681 CZ ARG A 105 -14.108 15.277 -1.884 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.213 14.629 -2.225 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -13.860 16.474 -2.400 1.00 0.00 N ATOM 0 H ARG A 105 -9.276 13.649 1.768 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.532 11.013 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -10.625 13.352 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.408 11.794 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.738 12.369 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.107 13.997 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.457 12.653 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.421 13.390 0.074 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.410 15.254 -0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.407 13.708 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.870 15.051 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.010 16.975 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.519 16.893 -3.056 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.847 10.499 -0.592 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.677 10.060 -1.344 1.00 0.00 C ATOM 1699 C LEU A 106 -7.597 10.773 -2.691 1.00 0.00 C ATOM 1700 O LEU A 106 -8.352 10.465 -3.613 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.721 8.546 -1.557 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.292 7.722 -0.403 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.300 6.243 -0.755 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.495 7.965 0.871 1.00 0.00 C ATOM 0 H LEU A 106 -9.668 9.905 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.788 10.313 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.312 8.342 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.708 8.198 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.321 8.038 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.710 5.673 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.915 6.083 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.281 5.911 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.915 7.370 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.456 7.677 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.542 9.022 1.134 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.675 11.724 -2.797 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.496 12.480 -4.031 1.00 0.00 C ATOM 1718 C ARG A 107 -5.072 12.328 -4.559 1.00 0.00 C ATOM 1719 O ARG A 107 -4.853 12.242 -5.767 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.811 13.959 -3.800 1.00 0.00 C ATOM 1721 CG ARG A 107 -8.276 14.309 -4.005 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.513 15.806 -3.885 1.00 0.00 C ATOM 1723 NE ARG A 107 -9.670 16.241 -4.663 1.00 0.00 N ATOM 1724 CZ ARG A 107 -10.129 17.487 -4.663 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.532 18.417 -3.931 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -11.187 17.806 -5.398 1.00 0.00 N ATOM 0 H ARG A 107 -6.041 11.989 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.186 12.082 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.520 14.229 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.204 14.561 -4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.599 13.966 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.883 13.783 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.662 16.067 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.626 16.342 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.152 15.550 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.718 18.176 -3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.887 19.373 -3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.649 17.094 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.539 18.763 -5.397 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.108 12.298 -3.645 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.705 12.160 -4.018 1.00 0.00 C ATOM 1742 C TYR A 108 -2.122 10.860 -3.474 1.00 0.00 C ATOM 1743 O TYR A 108 -1.657 10.786 -2.336 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.899 13.351 -3.499 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.558 14.688 -3.755 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.968 15.049 -5.032 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.772 15.589 -2.719 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.570 16.269 -5.271 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.374 16.811 -2.948 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.771 17.146 -4.226 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.372 18.362 -4.459 1.00 0.00 O ATOM 0 H TYR A 108 -4.273 12.367 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.645 12.136 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.742 13.233 -2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.915 13.345 -3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.813 14.364 -5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.462 15.329 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.881 16.534 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.533 17.500 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.440 18.860 -3.618 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.145 9.808 -4.306 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.622 8.491 -3.932 1.00 0.00 C ATOM 1763 C PRO A 109 -0.102 8.485 -3.810 1.00 0.00 C ATOM 1764 O PRO A 109 0.612 8.462 -4.813 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.069 7.591 -5.087 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.223 8.512 -6.248 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.684 9.824 -5.677 1.00 0.00 C ATOM 0 HA PRO A 109 -1.987 8.169 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.331 6.815 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.007 7.086 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.280 8.628 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.947 8.121 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.300 10.668 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.771 9.904 -5.680 1.00 0.00 H new ATOM 1775 N VAL A 110 0.388 8.504 -2.574 1.00 0.00 N ATOM 1776 CA VAL A 110 1.823 8.499 -2.321 1.00 0.00 C ATOM 1777 C VAL A 110 2.548 7.562 -3.281 1.00 0.00 C ATOM 1778 O VAL A 110 2.225 6.378 -3.373 1.00 0.00 O ATOM 1779 CB VAL A 110 2.136 8.075 -0.873 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.639 8.013 -0.648 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.480 9.028 0.114 1.00 0.00 C ATOM 0 H VAL A 110 -0.188 8.523 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 110 2.175 9.518 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 110 1.727 7.078 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.841 7.712 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.080 7.287 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.075 8.995 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.711 8.714 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.858 10.037 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.400 9.017 -0.032 1.00 0.00 H new ATOM 1791 N THR A 111 3.531 8.101 -3.996 1.00 0.00 N ATOM 1792 CA THR A 111 4.302 7.314 -4.950 1.00 0.00 C ATOM 1793 C THR A 111 5.791 7.365 -4.629 1.00 0.00 C ATOM 1794 O THR A 111 6.274 8.272 -3.951 1.00 0.00 O ATOM 1795 CB THR A 111 4.082 7.807 -6.392 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.917 9.229 -6.404 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.859 7.145 -7.010 1.00 0.00 C ATOM 0 H THR A 111 3.812 9.080 -3.932 1.00 0.00 H new ATOM 0 HA THR A 111 3.951 6.285 -4.868 1.00 0.00 H new ATOM 0 HB THR A 111 4.958 7.538 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.779 9.535 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.724 7.509 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.000 6.064 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.976 7.387 -6.418 1.00 0.00 H new ATOM 1805 N PRO A 112 6.539 6.370 -5.127 1.00 0.00 N ATOM 1806 CA PRO A 112 7.986 6.280 -4.907 1.00 0.00 C ATOM 1807 C PRO A 112 8.754 7.364 -5.656 1.00 0.00 C ATOM 1808 O PRO A 112 9.944 7.569 -5.418 1.00 0.00 O ATOM 1809 CB PRO A 112 8.343 4.896 -5.455 1.00 0.00 C ATOM 1810 CG PRO A 112 7.283 4.601 -6.460 1.00 0.00 C ATOM 1811 CD PRO A 112 6.030 5.255 -5.945 1.00 0.00 C ATOM 0 HA PRO A 112 8.248 6.419 -3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.333 4.894 -5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.356 4.148 -4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.554 4.994 -7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.143 3.526 -6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.398 5.610 -6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.430 4.564 -5.353 1.00 0.00 H new ATOM 1819 N GLU A 113 8.066 8.054 -6.560 1.00 0.00 N ATOM 1820 CA GLU A 113 8.685 9.116 -7.343 1.00 0.00 C ATOM 1821 C GLU A 113 8.527 10.466 -6.650 1.00 0.00 C ATOM 1822 O GLU A 113 9.407 11.324 -6.727 1.00 0.00 O ATOM 1823 CB GLU A 113 8.070 9.174 -8.743 1.00 0.00 C ATOM 1824 CG GLU A 113 8.330 10.483 -9.469 1.00 0.00 C ATOM 1825 CD GLU A 113 8.386 10.314 -10.974 1.00 0.00 C ATOM 1826 OE1 GLU A 113 8.932 9.290 -11.436 1.00 0.00 O ATOM 1827 OE2 GLU A 113 7.885 11.206 -11.691 1.00 0.00 O ATOM 0 H GLU A 113 7.080 7.896 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 113 9.749 8.894 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.467 8.353 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.994 9.020 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.546 11.196 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.271 10.907 -9.120 1.00 0.00 H new ATOM 1834 N LEU A 114 7.398 10.648 -5.973 1.00 0.00 N ATOM 1835 CA LEU A 114 7.122 11.894 -5.266 1.00 0.00 C ATOM 1836 C LEU A 114 8.178 12.159 -4.198 1.00 0.00 C ATOM 1837 O LEU A 114 8.720 13.262 -4.107 1.00 0.00 O ATOM 1838 CB LEU A 114 5.734 11.842 -4.625 1.00 0.00 C ATOM 1839 CG LEU A 114 5.222 13.153 -4.026 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.745 14.091 -5.124 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.104 12.883 -3.030 1.00 0.00 C ATOM 0 H LEU A 114 6.659 9.949 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 114 7.151 12.708 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.020 11.506 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.747 11.087 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 114 6.045 13.634 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.384 15.018 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.572 14.310 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.937 13.618 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.752 13.827 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.280 12.379 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.478 12.249 -2.226 1.00 0.00 H new ATOM 1853 N LEU A 115 8.468 11.143 -3.394 1.00 0.00 N ATOM 1854 CA LEU A 115 9.462 11.265 -2.333 1.00 0.00 C ATOM 1855 C LEU A 115 10.710 11.983 -2.837 1.00 0.00 C ATOM 1856 O LEU A 115 11.117 13.003 -2.281 1.00 0.00 O ATOM 1857 CB LEU A 115 9.837 9.883 -1.797 1.00 0.00 C ATOM 1858 CG LEU A 115 9.000 9.368 -0.625 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.177 10.264 0.591 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.533 9.279 -1.016 1.00 0.00 C ATOM 0 H LEU A 115 8.029 10.224 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 115 9.026 11.855 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.762 9.166 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.882 9.906 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 115 9.347 8.368 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.574 9.882 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.227 10.276 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.857 11.277 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.953 8.911 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.172 10.267 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.422 8.595 -1.857 1.00 0.00 H new ATOM 1872 N GLU A 116 11.311 11.445 -3.894 1.00 0.00 N ATOM 1873 CA GLU A 116 12.511 12.036 -4.472 1.00 0.00 C ATOM 1874 C GLU A 116 12.237 13.455 -4.963 1.00 0.00 C ATOM 1875 O GLU A 116 12.931 14.398 -4.585 1.00 0.00 O ATOM 1876 CB GLU A 116 13.024 11.175 -5.629 1.00 0.00 C ATOM 1877 CG GLU A 116 13.632 9.856 -5.182 1.00 0.00 C ATOM 1878 CD GLU A 116 12.722 9.079 -4.251 1.00 0.00 C ATOM 1879 OE1 GLU A 116 12.560 9.506 -3.088 1.00 0.00 O ATOM 1880 OE2 GLU A 116 12.171 8.046 -4.684 1.00 0.00 O ATOM 0 H GLU A 116 10.986 10.601 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 116 13.274 12.080 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.200 10.972 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.771 11.739 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.854 9.247 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.580 10.049 -4.680 1.00 0.00 H new ATOM 1887 N ARG A 117 11.221 13.596 -5.807 1.00 0.00 N ATOM 1888 CA ARG A 117 10.855 14.898 -6.351 1.00 0.00 C ATOM 1889 C ARG A 117 10.585 15.899 -5.232 1.00 0.00 C ATOM 1890 O ARG A 117 10.736 17.107 -5.415 1.00 0.00 O ATOM 1891 CB ARG A 117 9.621 14.773 -7.246 1.00 0.00 C ATOM 1892 CG ARG A 117 9.007 16.110 -7.629 1.00 0.00 C ATOM 1893 CD ARG A 117 8.018 15.961 -8.774 1.00 0.00 C ATOM 1894 NE ARG A 117 7.649 17.252 -9.349 1.00 0.00 N ATOM 1895 CZ ARG A 117 6.771 17.393 -10.336 1.00 0.00 C ATOM 1896 NH1 ARG A 117 6.175 16.328 -10.855 1.00 0.00 N ATOM 1897 NH2 ARG A 117 6.488 18.601 -10.807 1.00 0.00 N ATOM 0 H ARG A 117 10.636 12.825 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 117 11.692 15.262 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.894 14.235 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.870 14.172 -6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.502 16.541 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.796 16.805 -7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.453 15.330 -9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.122 15.454 -8.416 1.00 0.00 H new ATOM 0 HE ARG A 117 8.090 18.091 -8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.390 15.398 -10.496 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.501 16.439 -11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.945 19.423 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.814 18.708 -11.565 1.00 0.00 H new ATOM 1911 N TYR A 118 10.185 15.388 -4.073 1.00 0.00 N ATOM 1912 CA TYR A 118 9.891 16.237 -2.924 1.00 0.00 C ATOM 1913 C TYR A 118 11.050 16.232 -1.932 1.00 0.00 C ATOM 1914 O TYR A 118 10.894 16.622 -0.775 1.00 0.00 O ATOM 1915 CB TYR A 118 8.611 15.769 -2.231 1.00 0.00 C ATOM 1916 CG TYR A 118 7.346 16.249 -2.907 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.212 16.200 -4.289 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.286 16.753 -2.164 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.059 16.639 -4.911 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.129 17.193 -2.777 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.020 17.134 -4.151 1.00 0.00 C ATOM 1922 OH TYR A 118 3.870 17.572 -4.765 1.00 0.00 O ATOM 0 H TYR A 118 10.057 14.390 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 118 9.749 17.256 -3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.604 14.680 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.617 16.120 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.023 15.812 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.368 16.802 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.972 16.595 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.314 17.581 -2.184 1.00 0.00 H new ATOM 0 HH TYR A 118 3.237 17.889 -4.087 1.00 0.00 H new ATOM 1932 N SER A 119 12.215 15.787 -2.394 1.00 0.00 N ATOM 1933 CA SER A 119 13.401 15.727 -1.548 1.00 0.00 C ATOM 1934 C SER A 119 14.411 16.796 -1.953 1.00 0.00 C ATOM 1935 O SER A 119 15.608 16.528 -2.057 1.00 0.00 O ATOM 1936 CB SER A 119 14.045 14.342 -1.634 1.00 0.00 C ATOM 1937 OG SER A 119 14.929 14.123 -0.548 1.00 0.00 O ATOM 0 H SER A 119 12.362 15.463 -3.350 1.00 0.00 H new ATOM 0 HA SER A 119 13.093 15.913 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.269 13.576 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.588 14.248 -2.574 1.00 0.00 H new ATOM 0 HG SER A 119 15.602 14.835 -0.525 1.00 0.00 H new