USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 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 15 ASN : amide:sc= -1.36 K(o=-1.9,f=0.95) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -136:sc= -0.528 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -123:sc= 0.0644 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 27 GLN : amide:sc=-0.00893 K(o=-0.0089,f=-1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0862 K(o=-0.086,f=-1) USER MOD Single : A 35 CYS SG : rot -24:sc= 0.157 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 44:sc=-0.000805 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -133:sc= -2.16 (180deg=-4.15!) USER MOD Single : A 50 TYR OH : rot 15:sc= -0.0507 USER MOD Single : A 51 CYS SG : rot 100:sc= -2.99! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.86! C(o=-1.9!,f=-5.2!) USER MOD Single : A 68 MET CE :methyl 153:sc= -8.19! (180deg=-10.1!) USER MOD Single : A 69 ASN : amide:sc= -0.0604 K(o=-0.06,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -12.1! (180deg=-13.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.774 -0.765 -4.987 1.00 0.00 N ATOM 164 CA PRO A 8 -8.342 -0.453 -5.018 1.00 0.00 C ATOM 165 C PRO A 8 -7.482 -1.628 -4.567 1.00 0.00 C ATOM 166 O PRO A 8 -7.775 -2.272 -3.559 1.00 0.00 O ATOM 167 CB PRO A 8 -8.213 0.713 -4.035 1.00 0.00 C ATOM 168 CG PRO A 8 -9.364 0.553 -3.104 1.00 0.00 C ATOM 169 CD PRO A 8 -10.481 -0.033 -3.923 1.00 0.00 C ATOM 0 HA PRO A 8 -7.997 -0.220 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.264 0.677 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.252 1.672 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.105 -0.102 -2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.656 1.512 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.110 -0.696 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.130 0.742 -4.331 1.00 0.00 H new ATOM 177 N ARG A 9 -6.421 -1.902 -5.318 1.00 0.00 N ATOM 178 CA ARG A 9 -5.519 -3.001 -4.994 1.00 0.00 C ATOM 179 C ARG A 9 -4.076 -2.512 -4.904 1.00 0.00 C ATOM 180 O ARG A 9 -3.135 -3.270 -5.143 1.00 0.00 O ATOM 181 CB ARG A 9 -5.629 -4.105 -6.047 1.00 0.00 C ATOM 182 CG ARG A 9 -7.042 -4.635 -6.228 1.00 0.00 C ATOM 183 CD ARG A 9 -7.193 -5.380 -7.546 1.00 0.00 C ATOM 184 NE ARG A 9 -8.507 -6.003 -7.675 1.00 0.00 N ATOM 185 CZ ARG A 9 -9.037 -6.369 -8.837 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.367 -6.174 -9.965 1.00 0.00 N ATOM 187 NH2 ARG A 9 -10.238 -6.931 -8.873 1.00 0.00 N ATOM 0 H ARG A 9 -6.165 -1.378 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.810 -3.403 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.269 -3.722 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.974 -4.930 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.291 -5.301 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.750 -3.807 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.037 -4.688 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.420 -6.145 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.048 -6.166 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.443 -5.742 -9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.776 -6.456 -10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.756 -7.083 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.643 -7.211 -9.766 1.00 0.00 H new ATOM 201 N THR A 10 -3.909 -1.239 -4.556 1.00 0.00 N ATOM 202 CA THR A 10 -2.582 -0.648 -4.436 1.00 0.00 C ATOM 203 C THR A 10 -2.390 -0.005 -3.067 1.00 0.00 C ATOM 204 O THR A 10 -3.279 0.683 -2.563 1.00 0.00 O ATOM 205 CB THR A 10 -2.338 0.411 -5.527 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.793 -0.077 -6.794 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.861 0.765 -5.615 1.00 0.00 C ATOM 0 H THR A 10 -4.676 -0.598 -4.353 1.00 0.00 H new ATOM 0 HA THR A 10 -1.862 -1.457 -4.559 1.00 0.00 H new ATOM 0 HB THR A 10 -2.896 1.309 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.636 0.603 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.712 1.515 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.525 1.163 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.287 -0.129 -5.858 1.00 0.00 H new ATOM 215 N LEU A 11 -1.225 -0.231 -2.471 1.00 0.00 N ATOM 216 CA LEU A 11 -0.914 0.328 -1.161 1.00 0.00 C ATOM 217 C LEU A 11 0.448 1.012 -1.169 1.00 0.00 C ATOM 218 O LEU A 11 1.401 0.513 -1.767 1.00 0.00 O ATOM 219 CB LEU A 11 -0.939 -0.771 -0.097 1.00 0.00 C ATOM 220 CG LEU A 11 -1.995 -1.862 -0.282 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.634 -3.098 0.527 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.370 -1.346 0.114 1.00 0.00 C ATOM 0 H LEU A 11 -0.480 -0.798 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.672 1.074 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.042 -1.244 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.095 -0.304 0.875 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.022 -2.139 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.397 -3.863 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.669 -3.481 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.577 -2.837 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.109 -2.136 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.357 -1.041 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.632 -0.491 -0.510 1.00 0.00 H new ATOM 234 N TYR A 12 0.534 2.156 -0.498 1.00 0.00 N ATOM 235 CA TYR A 12 1.780 2.910 -0.428 1.00 0.00 C ATOM 236 C TYR A 12 2.550 2.572 0.845 1.00 0.00 C ATOM 237 O TYR A 12 2.019 2.671 1.950 1.00 0.00 O ATOM 238 CB TYR A 12 1.497 4.412 -0.483 1.00 0.00 C ATOM 239 CG TYR A 12 2.569 5.255 0.168 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.568 5.480 1.539 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.585 5.826 -0.588 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.546 6.251 2.137 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.569 6.596 0.001 1.00 0.00 C ATOM 244 CZ TYR A 12 4.545 6.806 1.365 1.00 0.00 C ATOM 245 OH TYR A 12 5.522 7.573 1.957 1.00 0.00 O ATOM 0 H TYR A 12 -0.245 2.581 0.005 1.00 0.00 H new ATOM 0 HA TYR A 12 2.392 2.632 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.391 4.715 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.543 4.611 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.789 5.045 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.606 5.665 -1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.528 6.418 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.352 7.031 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 12 6.150 7.888 1.274 1.00 0.00 H new ATOM 255 N VAL A 13 3.808 2.173 0.680 1.00 0.00 N ATOM 256 CA VAL A 13 4.654 1.822 1.813 1.00 0.00 C ATOM 257 C VAL A 13 5.756 2.856 2.018 1.00 0.00 C ATOM 258 O VAL A 13 6.568 3.095 1.126 1.00 0.00 O ATOM 259 CB VAL A 13 5.294 0.434 1.628 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.941 -0.034 2.923 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.257 -0.571 1.147 1.00 0.00 C ATOM 0 H VAL A 13 4.263 2.085 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 13 4.011 1.802 2.693 1.00 0.00 H new ATOM 0 HB VAL A 13 6.072 0.511 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.388 -1.017 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.714 0.674 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.185 -0.095 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.727 -1.547 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.455 -0.646 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.846 -0.241 0.193 1.00 0.00 H new ATOM 271 N GLY A 14 5.778 3.464 3.199 1.00 0.00 N ATOM 272 CA GLY A 14 6.785 4.465 3.500 1.00 0.00 C ATOM 273 C GLY A 14 7.554 4.151 4.768 1.00 0.00 C ATOM 274 O GLY A 14 7.197 3.234 5.507 1.00 0.00 O ATOM 0 H GLY A 14 5.116 3.282 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.482 4.538 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.306 5.439 3.601 1.00 0.00 H new ATOM 278 N ASN A 15 8.611 4.915 5.021 1.00 0.00 N ATOM 279 CA ASN A 15 9.434 4.713 6.209 1.00 0.00 C ATOM 280 C ASN A 15 10.132 3.356 6.162 1.00 0.00 C ATOM 281 O ASN A 15 10.184 2.639 7.163 1.00 0.00 O ATOM 282 CB ASN A 15 8.576 4.815 7.472 1.00 0.00 C ATOM 283 CG ASN A 15 9.373 5.279 8.676 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.455 6.475 8.955 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.965 4.333 9.395 1.00 0.00 N ATOM 0 H ASN A 15 8.918 5.680 4.420 1.00 0.00 H new ATOM 0 HA ASN A 15 10.195 5.493 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.754 5.508 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.132 3.843 7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.515 4.586 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.870 3.354 9.126 1.00 0.00 H new ATOM 292 N LEU A 16 10.666 3.012 4.996 1.00 0.00 N ATOM 293 CA LEU A 16 11.362 1.741 4.819 1.00 0.00 C ATOM 294 C LEU A 16 12.856 1.898 5.085 1.00 0.00 C ATOM 295 O LEU A 16 13.451 2.924 4.757 1.00 0.00 O ATOM 296 CB LEU A 16 11.138 1.209 3.403 1.00 0.00 C ATOM 297 CG LEU A 16 9.701 0.817 3.053 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.566 0.560 1.560 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.273 -0.409 3.848 1.00 0.00 C ATOM 0 H LEU A 16 10.631 3.594 4.159 1.00 0.00 H new ATOM 0 HA LEU A 16 10.956 1.028 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.469 1.968 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.777 0.338 3.258 1.00 0.00 H new ATOM 0 HG LEU A 16 9.044 1.645 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.537 0.282 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.830 1.463 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.234 -0.250 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.248 -0.673 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.934 -1.243 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.330 -0.189 4.914 1.00 0.00 H new ATOM 311 N SER A 17 13.455 0.872 5.681 1.00 0.00 N ATOM 312 CA SER A 17 14.880 0.895 5.992 1.00 0.00 C ATOM 313 C SER A 17 15.715 0.671 4.735 1.00 0.00 C ATOM 314 O SER A 17 15.376 -0.159 3.892 1.00 0.00 O ATOM 315 CB SER A 17 15.212 -0.172 7.036 1.00 0.00 C ATOM 316 OG SER A 17 16.606 -0.217 7.294 1.00 0.00 O ATOM 0 H SER A 17 12.976 0.015 5.958 1.00 0.00 H new ATOM 0 HA SER A 17 15.123 1.878 6.397 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.674 0.039 7.960 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.872 -1.147 6.685 1.00 0.00 H new ATOM 0 HG SER A 17 16.942 -1.121 7.120 1.00 0.00 H new ATOM 322 N ARG A 18 16.808 1.417 4.617 1.00 0.00 N ATOM 323 CA ARG A 18 17.692 1.301 3.464 1.00 0.00 C ATOM 324 C ARG A 18 17.980 -0.163 3.144 1.00 0.00 C ATOM 325 O ARG A 18 18.311 -0.508 2.010 1.00 0.00 O ATOM 326 CB ARG A 18 19.003 2.046 3.722 1.00 0.00 C ATOM 327 CG ARG A 18 18.887 3.553 3.571 1.00 0.00 C ATOM 328 CD ARG A 18 18.708 3.955 2.116 1.00 0.00 C ATOM 329 NE ARG A 18 19.929 3.758 1.339 1.00 0.00 N ATOM 330 CZ ARG A 18 20.226 2.625 0.713 1.00 0.00 C ATOM 331 NH1 ARG A 18 19.397 1.593 0.772 1.00 0.00 N ATOM 332 NH2 ARG A 18 21.357 2.523 0.026 1.00 0.00 N ATOM 0 H ARG A 18 17.103 2.109 5.306 1.00 0.00 H new ATOM 0 HA ARG A 18 17.190 1.750 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.349 1.816 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.762 1.678 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.041 3.914 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.780 4.030 3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.900 3.371 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.410 5.002 2.063 1.00 0.00 H new ATOM 0 HE ARG A 18 20.589 4.533 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.527 1.667 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.629 0.725 0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.998 3.315 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.585 1.653 -0.455 1.00 0.00 H new ATOM 346 N ASP A 19 17.852 -1.019 4.152 1.00 0.00 N ATOM 347 CA ASP A 19 18.098 -2.446 3.978 1.00 0.00 C ATOM 348 C ASP A 19 16.935 -3.113 3.250 1.00 0.00 C ATOM 349 O ASP A 19 17.134 -4.028 2.450 1.00 0.00 O ATOM 350 CB ASP A 19 18.316 -3.116 5.336 1.00 0.00 C ATOM 351 CG ASP A 19 19.383 -2.423 6.159 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.549 -2.386 5.711 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.054 -1.917 7.253 1.00 0.00 O ATOM 0 H ASP A 19 17.580 -0.750 5.097 1.00 0.00 H new ATOM 0 HA ASP A 19 18.997 -2.564 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.378 -3.119 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.599 -4.157 5.183 1.00 0.00 H new ATOM 358 N VAL A 20 15.723 -2.649 3.531 1.00 0.00 N ATOM 359 CA VAL A 20 14.528 -3.201 2.902 1.00 0.00 C ATOM 360 C VAL A 20 14.688 -3.271 1.387 1.00 0.00 C ATOM 361 O VAL A 20 15.220 -2.353 0.764 1.00 0.00 O ATOM 362 CB VAL A 20 13.280 -2.363 3.237 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.104 -2.787 2.370 1.00 0.00 C ATOM 364 CG2 VAL A 20 12.936 -2.487 4.714 1.00 0.00 C ATOM 0 H VAL A 20 15.541 -1.892 4.190 1.00 0.00 H new ATOM 0 HA VAL A 20 14.397 -4.208 3.298 1.00 0.00 H new ATOM 0 HB VAL A 20 13.498 -1.316 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.231 -2.184 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.356 -2.642 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.881 -3.839 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.052 -1.889 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.736 -3.531 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.773 -2.130 5.314 1.00 0.00 H new ATOM 374 N THR A 21 14.222 -4.369 0.799 1.00 0.00 N ATOM 375 CA THR A 21 14.313 -4.561 -0.643 1.00 0.00 C ATOM 376 C THR A 21 12.953 -4.905 -1.239 1.00 0.00 C ATOM 377 O THR A 21 12.006 -5.206 -0.513 1.00 0.00 O ATOM 378 CB THR A 21 15.314 -5.677 -0.999 1.00 0.00 C ATOM 379 OG1 THR A 21 15.144 -6.788 -0.113 1.00 0.00 O ATOM 380 CG2 THR A 21 16.745 -5.167 -0.913 1.00 0.00 C ATOM 0 H THR A 21 13.778 -5.139 1.300 1.00 0.00 H new ATOM 0 HA THR A 21 14.664 -3.620 -1.066 1.00 0.00 H new ATOM 0 HB THR A 21 15.120 -5.997 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.783 -7.494 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.434 -5.972 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.879 -4.340 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.948 -4.823 0.101 1.00 0.00 H new ATOM 388 N GLU A 22 12.864 -4.859 -2.564 1.00 0.00 N ATOM 389 CA GLU A 22 11.618 -5.166 -3.257 1.00 0.00 C ATOM 390 C GLU A 22 11.184 -6.603 -2.983 1.00 0.00 C ATOM 391 O GLU A 22 10.013 -6.868 -2.712 1.00 0.00 O ATOM 392 CB GLU A 22 11.779 -4.948 -4.763 1.00 0.00 C ATOM 393 CG GLU A 22 10.608 -5.467 -5.581 1.00 0.00 C ATOM 394 CD GLU A 22 10.786 -6.911 -6.005 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.597 -7.806 -5.154 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.114 -7.146 -7.186 1.00 0.00 O ATOM 0 H GLU A 22 13.639 -4.612 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 22 10.847 -4.494 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.903 -3.882 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.692 -5.441 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.692 -5.374 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.485 -4.845 -6.467 1.00 0.00 H new ATOM 403 N VAL A 23 12.137 -7.527 -3.058 1.00 0.00 N ATOM 404 CA VAL A 23 11.854 -8.938 -2.819 1.00 0.00 C ATOM 405 C VAL A 23 11.432 -9.176 -1.373 1.00 0.00 C ATOM 406 O VAL A 23 10.533 -9.973 -1.100 1.00 0.00 O ATOM 407 CB VAL A 23 13.078 -9.817 -3.136 1.00 0.00 C ATOM 408 CG1 VAL A 23 12.804 -11.267 -2.766 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.454 -9.696 -4.605 1.00 0.00 C ATOM 0 H VAL A 23 13.111 -7.324 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 23 11.036 -9.214 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 23 13.920 -9.467 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.680 -11.873 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.586 -11.336 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.949 -11.633 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.321 -10.324 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.616 -10.019 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.695 -8.658 -4.835 1.00 0.00 H new ATOM 419 N LEU A 24 12.085 -8.479 -0.450 1.00 0.00 N ATOM 420 CA LEU A 24 11.778 -8.614 0.971 1.00 0.00 C ATOM 421 C LEU A 24 10.320 -8.262 1.247 1.00 0.00 C ATOM 422 O LEU A 24 9.597 -9.027 1.887 1.00 0.00 O ATOM 423 CB LEU A 24 12.698 -7.715 1.799 1.00 0.00 C ATOM 424 CG LEU A 24 12.741 -8.002 3.300 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.824 -7.171 3.970 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.386 -7.727 3.935 1.00 0.00 C ATOM 0 H LEU A 24 12.830 -7.815 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 24 11.943 -9.653 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.710 -7.802 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.387 -6.680 1.656 1.00 0.00 H new ATOM 0 HG LEU A 24 12.979 -9.056 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.841 -7.388 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.793 -7.417 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.616 -6.112 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.436 -7.937 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.118 -6.681 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.632 -8.365 3.475 1.00 0.00 H new ATOM 438 N ILE A 25 9.894 -7.102 0.760 1.00 0.00 N ATOM 439 CA ILE A 25 8.520 -6.651 0.952 1.00 0.00 C ATOM 440 C ILE A 25 7.526 -7.656 0.380 1.00 0.00 C ATOM 441 O ILE A 25 6.554 -8.028 1.039 1.00 0.00 O ATOM 442 CB ILE A 25 8.281 -5.280 0.295 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.107 -4.201 0.999 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.802 -4.926 0.329 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.537 -3.779 2.334 1.00 0.00 C ATOM 0 H ILE A 25 10.480 -6.457 0.230 1.00 0.00 H new ATOM 0 HA ILE A 25 8.365 -6.562 2.027 1.00 0.00 H new ATOM 0 HB ILE A 25 8.599 -5.334 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.122 -4.570 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.177 -3.328 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.650 -3.954 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.234 -5.683 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.461 -4.888 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.174 -3.012 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.533 -3.379 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.493 -4.641 3.000 1.00 0.00 H new ATOM 457 N LEU A 26 7.777 -8.094 -0.849 1.00 0.00 N ATOM 458 CA LEU A 26 6.906 -9.059 -1.510 1.00 0.00 C ATOM 459 C LEU A 26 6.814 -10.351 -0.704 1.00 0.00 C ATOM 460 O LEU A 26 5.780 -11.019 -0.702 1.00 0.00 O ATOM 461 CB LEU A 26 7.419 -9.359 -2.919 1.00 0.00 C ATOM 462 CG LEU A 26 7.076 -8.325 -3.993 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.746 -8.681 -5.310 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.568 -8.222 -4.171 1.00 0.00 C ATOM 0 H LEU A 26 8.577 -7.796 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 26 5.909 -8.623 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.503 -9.462 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.020 -10.324 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 26 7.451 -7.354 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.490 -7.934 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.827 -8.704 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.401 -9.661 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.342 -7.482 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.170 -9.191 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.110 -7.919 -3.229 1.00 0.00 H new ATOM 476 N GLN A 27 7.901 -10.696 -0.022 1.00 0.00 N ATOM 477 CA GLN A 27 7.942 -11.907 0.789 1.00 0.00 C ATOM 478 C GLN A 27 7.011 -11.789 1.991 1.00 0.00 C ATOM 479 O GLN A 27 6.228 -12.697 2.275 1.00 0.00 O ATOM 480 CB GLN A 27 9.370 -12.183 1.260 1.00 0.00 C ATOM 481 CG GLN A 27 10.285 -12.700 0.161 1.00 0.00 C ATOM 482 CD GLN A 27 10.098 -14.181 -0.105 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.225 -14.823 0.481 1.00 0.00 O ATOM 484 NE2 GLN A 27 10.918 -14.731 -0.992 1.00 0.00 N ATOM 0 H GLN A 27 8.765 -10.154 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 27 7.604 -12.739 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.792 -11.266 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.342 -12.911 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.095 -12.143 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.322 -12.513 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.627 -14.161 -1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.839 -15.724 -1.212 1.00 0.00 H new ATOM 493 N LEU A 28 7.101 -10.666 2.696 1.00 0.00 N ATOM 494 CA LEU A 28 6.267 -10.429 3.869 1.00 0.00 C ATOM 495 C LEU A 28 4.803 -10.262 3.471 1.00 0.00 C ATOM 496 O LEU A 28 3.909 -10.825 4.103 1.00 0.00 O ATOM 497 CB LEU A 28 6.748 -9.187 4.618 1.00 0.00 C ATOM 498 CG LEU A 28 8.233 -9.156 4.982 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.545 -7.948 5.852 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.637 -10.442 5.689 1.00 0.00 C ATOM 0 H LEU A 28 7.744 -9.905 2.475 1.00 0.00 H new ATOM 0 HA LEU A 28 6.350 -11.296 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.525 -8.311 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.167 -9.093 5.536 1.00 0.00 H new ATOM 0 HG LEU A 28 8.810 -9.074 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.606 -7.943 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.295 -7.036 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.958 -7.999 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.697 -10.402 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.052 -10.555 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.452 -11.292 5.032 1.00 0.00 H new ATOM 512 N PHE A 29 4.566 -9.486 2.418 1.00 0.00 N ATOM 513 CA PHE A 29 3.211 -9.246 1.936 1.00 0.00 C ATOM 514 C PHE A 29 2.629 -10.505 1.301 1.00 0.00 C ATOM 515 O PHE A 29 1.426 -10.754 1.382 1.00 0.00 O ATOM 516 CB PHE A 29 3.205 -8.100 0.921 1.00 0.00 C ATOM 517 CG PHE A 29 3.170 -6.739 1.554 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.280 -6.240 2.219 1.00 0.00 C ATOM 519 CD2 PHE A 29 2.028 -5.957 1.488 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.251 -4.988 2.803 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.994 -4.704 2.069 1.00 0.00 C ATOM 522 CZ PHE A 29 3.106 -4.219 2.729 1.00 0.00 C ATOM 0 H PHE A 29 5.294 -9.013 1.883 1.00 0.00 H new ATOM 0 HA PHE A 29 2.591 -8.971 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.092 -8.177 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.341 -8.210 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.178 -6.837 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.154 -6.332 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.123 -4.611 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.098 -4.104 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.080 -3.241 3.186 1.00 0.00 H new ATOM 532 N SER A 30 3.491 -11.295 0.669 1.00 0.00 N ATOM 533 CA SER A 30 3.062 -12.526 0.017 1.00 0.00 C ATOM 534 C SER A 30 2.406 -13.472 1.018 1.00 0.00 C ATOM 535 O SER A 30 1.452 -14.176 0.687 1.00 0.00 O ATOM 536 CB SER A 30 4.254 -13.217 -0.649 1.00 0.00 C ATOM 537 OG SER A 30 4.037 -14.614 -0.759 1.00 0.00 O ATOM 0 H SER A 30 4.490 -11.104 0.595 1.00 0.00 H new ATOM 0 HA SER A 30 2.328 -12.267 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.418 -12.792 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.158 -13.031 -0.068 1.00 0.00 H new ATOM 0 HG SER A 30 4.812 -15.033 -1.189 1.00 0.00 H new ATOM 543 N GLN A 31 2.923 -13.480 2.241 1.00 0.00 N ATOM 544 CA GLN A 31 2.388 -14.339 3.291 1.00 0.00 C ATOM 545 C GLN A 31 0.914 -14.037 3.542 1.00 0.00 C ATOM 546 O GLN A 31 0.141 -14.927 3.899 1.00 0.00 O ATOM 547 CB GLN A 31 3.186 -14.159 4.583 1.00 0.00 C ATOM 548 CG GLN A 31 4.649 -14.552 4.455 1.00 0.00 C ATOM 549 CD GLN A 31 5.289 -14.865 5.794 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.653 -15.438 6.679 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.553 -14.490 5.948 1.00 0.00 N ATOM 0 H GLN A 31 3.712 -12.902 2.530 1.00 0.00 H new ATOM 0 HA GLN A 31 2.477 -15.374 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.125 -13.117 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.726 -14.756 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.732 -15.423 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.198 -13.742 3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.041 -14.018 5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.036 -14.674 6.827 1.00 0.00 H new ATOM 560 N ILE A 32 0.533 -12.779 3.355 1.00 0.00 N ATOM 561 CA ILE A 32 -0.848 -12.360 3.561 1.00 0.00 C ATOM 562 C ILE A 32 -1.699 -12.649 2.330 1.00 0.00 C ATOM 563 O ILE A 32 -2.767 -13.254 2.428 1.00 0.00 O ATOM 564 CB ILE A 32 -0.938 -10.859 3.893 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.135 -10.545 5.157 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.390 -10.441 4.064 1.00 0.00 C ATOM 567 CD1 ILE A 32 0.144 -9.070 5.344 1.00 0.00 C ATOM 0 H ILE A 32 1.161 -12.031 3.061 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.229 -12.933 4.406 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.512 -10.292 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.679 -10.917 6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.812 -11.084 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.437 -9.378 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.935 -10.634 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.840 -11.012 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.717 -8.921 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.715 -8.697 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.799 -8.527 5.414 1.00 0.00 H new ATOM 579 N GLY A 33 -1.219 -12.215 1.169 1.00 0.00 N ATOM 580 CA GLY A 33 -1.948 -12.437 -0.066 1.00 0.00 C ATOM 581 C GLY A 33 -1.055 -12.357 -1.288 1.00 0.00 C ATOM 582 O GLY A 33 0.114 -11.980 -1.206 1.00 0.00 O ATOM 0 H GLY A 33 -0.338 -11.713 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.425 -13.416 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.744 -11.698 -0.152 1.00 0.00 H new ATOM 586 N PRO A 34 -1.608 -12.723 -2.455 1.00 0.00 N ATOM 587 CA PRO A 34 -0.871 -12.700 -3.722 1.00 0.00 C ATOM 588 C PRO A 34 -0.573 -11.281 -4.194 1.00 0.00 C ATOM 589 O PRO A 34 -1.470 -10.439 -4.267 1.00 0.00 O ATOM 590 CB PRO A 34 -1.821 -13.400 -4.697 1.00 0.00 C ATOM 591 CG PRO A 34 -3.178 -13.192 -4.119 1.00 0.00 C ATOM 592 CD PRO A 34 -2.996 -13.184 -2.626 1.00 0.00 C ATOM 0 HA PRO A 34 0.104 -13.181 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.747 -12.973 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.587 -14.461 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.609 -12.253 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.858 -13.987 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.705 -12.515 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.146 -14.175 -2.197 1.00 0.00 H new ATOM 600 N CYS A 35 0.689 -11.022 -4.515 1.00 0.00 N ATOM 601 CA CYS A 35 1.105 -9.703 -4.980 1.00 0.00 C ATOM 602 C CYS A 35 1.286 -9.693 -6.495 1.00 0.00 C ATOM 603 O CYS A 35 2.004 -10.525 -7.051 1.00 0.00 O ATOM 604 CB CYS A 35 2.408 -9.286 -4.296 1.00 0.00 C ATOM 605 SG CYS A 35 2.323 -9.273 -2.490 1.00 0.00 S ATOM 0 H CYS A 35 1.443 -11.707 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 35 0.323 -8.990 -4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.202 -9.965 -4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.686 -8.291 -4.643 1.00 0.00 H new ATOM 0 HG CYS A 35 1.089 -9.114 -2.115 1.00 0.00 H new ATOM 611 N LYS A 36 0.628 -8.749 -7.157 1.00 0.00 N ATOM 612 CA LYS A 36 0.715 -8.629 -8.608 1.00 0.00 C ATOM 613 C LYS A 36 2.076 -8.087 -9.029 1.00 0.00 C ATOM 614 O LYS A 36 2.726 -8.638 -9.917 1.00 0.00 O ATOM 615 CB LYS A 36 -0.395 -7.714 -9.131 1.00 0.00 C ATOM 616 CG LYS A 36 -0.854 -8.058 -10.538 1.00 0.00 C ATOM 617 CD LYS A 36 -1.995 -9.062 -10.524 1.00 0.00 C ATOM 618 CE LYS A 36 -2.720 -9.100 -11.859 1.00 0.00 C ATOM 619 NZ LYS A 36 -1.849 -9.619 -12.949 1.00 0.00 N ATOM 0 H LYS A 36 0.028 -8.055 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 36 0.592 -9.623 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.249 -7.770 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.042 -6.683 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.174 -7.150 -11.049 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.017 -8.465 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.606 -10.053 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.699 -8.803 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.607 -9.728 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.063 -8.097 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.380 -9.629 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.015 -9.006 -13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.542 -10.585 -12.718 1.00 0.00 H new ATOM 633 N SER A 37 2.503 -7.005 -8.385 1.00 0.00 N ATOM 634 CA SER A 37 3.787 -6.388 -8.694 1.00 0.00 C ATOM 635 C SER A 37 4.169 -5.366 -7.629 1.00 0.00 C ATOM 636 O SER A 37 3.309 -4.691 -7.062 1.00 0.00 O ATOM 637 CB SER A 37 3.734 -5.714 -10.067 1.00 0.00 C ATOM 638 OG SER A 37 5.009 -5.721 -10.688 1.00 0.00 O ATOM 0 H SER A 37 1.978 -6.538 -7.646 1.00 0.00 H new ATOM 0 HA SER A 37 4.545 -7.171 -8.709 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.014 -6.231 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.384 -4.687 -9.958 1.00 0.00 H new ATOM 0 HG SER A 37 4.948 -5.286 -11.564 1.00 0.00 H new ATOM 644 N CYS A 38 5.466 -5.258 -7.360 1.00 0.00 N ATOM 645 CA CYS A 38 5.964 -4.319 -6.361 1.00 0.00 C ATOM 646 C CYS A 38 7.085 -3.458 -6.935 1.00 0.00 C ATOM 647 O CYS A 38 8.030 -3.970 -7.536 1.00 0.00 O ATOM 648 CB CYS A 38 6.464 -5.072 -5.128 1.00 0.00 C ATOM 649 SG CYS A 38 7.342 -4.035 -3.935 1.00 0.00 S ATOM 0 H CYS A 38 6.191 -5.809 -7.820 1.00 0.00 H new ATOM 0 HA CYS A 38 5.141 -3.666 -6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.614 -5.539 -4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.125 -5.876 -5.450 1.00 0.00 H new ATOM 0 HG CYS A 38 6.695 -2.919 -3.771 1.00 0.00 H new ATOM 655 N LYS A 39 6.973 -2.148 -6.748 1.00 0.00 N ATOM 656 CA LYS A 39 7.975 -1.214 -7.247 1.00 0.00 C ATOM 657 C LYS A 39 8.541 -0.366 -6.114 1.00 0.00 C ATOM 658 O LYS A 39 7.821 0.414 -5.490 1.00 0.00 O ATOM 659 CB LYS A 39 7.370 -0.309 -8.322 1.00 0.00 C ATOM 660 CG LYS A 39 8.401 0.509 -9.081 1.00 0.00 C ATOM 661 CD LYS A 39 7.784 1.208 -10.280 1.00 0.00 C ATOM 662 CE LYS A 39 8.832 1.965 -11.084 1.00 0.00 C ATOM 663 NZ LYS A 39 8.213 2.859 -12.099 1.00 0.00 N ATOM 0 H LYS A 39 6.197 -1.708 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 39 8.788 -1.794 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.813 -0.923 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.654 0.368 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.842 1.250 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.210 -0.142 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.295 0.473 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.013 1.900 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.451 2.556 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.492 1.254 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.960 3.356 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.643 2.292 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.603 3.554 -11.623 1.00 0.00 H new ATOM 677 N MET A 40 9.835 -0.522 -5.852 1.00 0.00 N ATOM 678 CA MET A 40 10.496 0.233 -4.794 1.00 0.00 C ATOM 679 C MET A 40 11.161 1.487 -5.354 1.00 0.00 C ATOM 680 O MET A 40 12.018 1.405 -6.235 1.00 0.00 O ATOM 681 CB MET A 40 11.538 -0.640 -4.091 1.00 0.00 C ATOM 682 CG MET A 40 12.435 0.133 -3.138 1.00 0.00 C ATOM 683 SD MET A 40 13.538 -0.939 -2.198 1.00 0.00 S ATOM 684 CE MET A 40 12.503 -1.341 -0.793 1.00 0.00 C ATOM 0 H MET A 40 10.446 -1.164 -6.357 1.00 0.00 H new ATOM 0 HA MET A 40 9.739 0.537 -4.071 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.026 -1.427 -3.537 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.157 -1.130 -4.843 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.028 0.850 -3.705 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.816 0.706 -2.447 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.075 -1.219 0.127 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.640 -0.676 -0.775 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.164 -2.374 -0.875 1.00 0.00 H new ATOM 694 N ILE A 41 10.760 2.644 -4.840 1.00 0.00 N ATOM 695 CA ILE A 41 11.317 3.913 -5.289 1.00 0.00 C ATOM 696 C ILE A 41 12.137 4.574 -4.186 1.00 0.00 C ATOM 697 O ILE A 41 11.622 4.878 -3.110 1.00 0.00 O ATOM 698 CB ILE A 41 10.212 4.885 -5.743 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.145 4.137 -6.547 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.808 6.016 -6.568 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.080 5.043 -7.124 1.00 0.00 C ATOM 0 H ILE A 41 10.051 2.729 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 41 11.964 3.690 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 41 9.740 5.315 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.628 3.594 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.671 3.395 -5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.015 6.695 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.535 6.561 -5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.302 5.603 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.357 4.446 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.571 5.567 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.543 5.769 -7.792 1.00 0.00 H new ATOM 810 N PRO A 49 12.865 6.052 2.098 1.00 0.00 N ATOM 811 CA PRO A 49 12.379 5.516 0.823 1.00 0.00 C ATOM 812 C PRO A 49 10.943 5.013 0.915 1.00 0.00 C ATOM 813 O PRO A 49 10.358 4.968 1.998 1.00 0.00 O ATOM 814 CB PRO A 49 13.335 4.357 0.537 1.00 0.00 C ATOM 815 CG PRO A 49 13.834 3.938 1.877 1.00 0.00 C ATOM 816 CD PRO A 49 13.893 5.191 2.706 1.00 0.00 C ATOM 0 HA PRO A 49 12.364 6.276 0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.824 3.538 0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.154 4.670 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.169 3.202 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.817 3.474 1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.678 4.989 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.879 5.653 2.666 1.00 0.00 H new ATOM 824 N TYR A 50 10.380 4.631 -0.226 1.00 0.00 N ATOM 825 CA TYR A 50 9.010 4.131 -0.274 1.00 0.00 C ATOM 826 C TYR A 50 8.819 3.179 -1.450 1.00 0.00 C ATOM 827 O TYR A 50 9.464 3.322 -2.490 1.00 0.00 O ATOM 828 CB TYR A 50 8.024 5.295 -0.379 1.00 0.00 C ATOM 829 CG TYR A 50 8.033 5.977 -1.729 1.00 0.00 C ATOM 830 CD1 TYR A 50 8.960 6.970 -2.020 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.115 5.629 -2.711 1.00 0.00 C ATOM 832 CE1 TYR A 50 8.972 7.597 -3.252 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.121 6.248 -3.946 1.00 0.00 C ATOM 834 CZ TYR A 50 8.052 7.232 -4.211 1.00 0.00 C ATOM 835 OH TYR A 50 8.059 7.853 -5.439 1.00 0.00 O ATOM 0 H TYR A 50 10.851 4.658 -1.130 1.00 0.00 H new ATOM 0 HA TYR A 50 8.817 3.583 0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.018 4.928 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.259 6.030 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.683 7.257 -1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.384 4.861 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.698 8.368 -3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.402 5.964 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 50 8.902 8.340 -5.554 1.00 0.00 H new ATOM 845 N CYS A 51 7.928 2.209 -1.279 1.00 0.00 N ATOM 846 CA CYS A 51 7.650 1.233 -2.325 1.00 0.00 C ATOM 847 C CYS A 51 6.148 1.024 -2.489 1.00 0.00 C ATOM 848 O CYS A 51 5.370 1.289 -1.572 1.00 0.00 O ATOM 849 CB CYS A 51 8.331 -0.099 -2.003 1.00 0.00 C ATOM 850 SG CYS A 51 7.570 -1.006 -0.636 1.00 0.00 S ATOM 0 H CYS A 51 7.386 2.078 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 51 8.049 1.619 -3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.317 -0.727 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.377 0.089 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 51 6.799 -1.939 -1.110 1.00 0.00 H new ATOM 856 N PHE A 52 5.746 0.545 -3.662 1.00 0.00 N ATOM 857 CA PHE A 52 4.337 0.303 -3.947 1.00 0.00 C ATOM 858 C PHE A 52 4.049 -1.193 -4.032 1.00 0.00 C ATOM 859 O PHE A 52 4.816 -1.951 -4.627 1.00 0.00 O ATOM 860 CB PHE A 52 3.934 0.987 -5.255 1.00 0.00 C ATOM 861 CG PHE A 52 3.978 2.486 -5.185 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.240 3.171 -4.232 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.756 3.212 -6.072 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.277 4.551 -4.167 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.798 4.593 -6.011 1.00 0.00 C ATOM 866 CZ PHE A 52 4.059 5.262 -5.056 1.00 0.00 C ATOM 0 H PHE A 52 6.377 0.317 -4.430 1.00 0.00 H new ATOM 0 HA PHE A 52 3.750 0.723 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.596 0.649 -6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.925 0.673 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.629 2.620 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.337 2.693 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.695 5.073 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.408 5.147 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.092 6.340 -5.004 1.00 0.00 H new ATOM 876 N VAL A 53 2.939 -1.611 -3.433 1.00 0.00 N ATOM 877 CA VAL A 53 2.548 -3.016 -3.442 1.00 0.00 C ATOM 878 C VAL A 53 1.147 -3.194 -4.014 1.00 0.00 C ATOM 879 O VAL A 53 0.166 -2.727 -3.436 1.00 0.00 O ATOM 880 CB VAL A 53 2.592 -3.619 -2.024 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.143 -5.072 -2.049 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.989 -3.493 -1.436 1.00 0.00 C ATOM 0 H VAL A 53 2.294 -0.997 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 53 3.264 -3.540 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 53 1.904 -3.062 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.180 -5.482 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.122 -5.131 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.804 -5.646 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.003 -3.924 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.700 -4.024 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.268 -2.441 -1.382 1.00 0.00 H new ATOM 892 N GLU A 54 1.060 -3.871 -5.154 1.00 0.00 N ATOM 893 CA GLU A 54 -0.222 -4.110 -5.805 1.00 0.00 C ATOM 894 C GLU A 54 -0.667 -5.558 -5.617 1.00 0.00 C ATOM 895 O GLU A 54 0.095 -6.491 -5.869 1.00 0.00 O ATOM 896 CB GLU A 54 -0.131 -3.783 -7.297 1.00 0.00 C ATOM 897 CG GLU A 54 -1.467 -3.846 -8.018 1.00 0.00 C ATOM 898 CD GLU A 54 -1.315 -4.025 -9.516 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.350 -3.473 -10.084 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.162 -4.716 -10.119 1.00 0.00 O ATOM 0 H GLU A 54 1.862 -4.264 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.962 -3.457 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.290 -2.784 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.561 -4.479 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.054 -4.671 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.026 -2.931 -7.820 1.00 0.00 H new ATOM 907 N PHE A 55 -1.907 -5.736 -5.172 1.00 0.00 N ATOM 908 CA PHE A 55 -2.454 -7.069 -4.948 1.00 0.00 C ATOM 909 C PHE A 55 -3.415 -7.458 -6.067 1.00 0.00 C ATOM 910 O PHE A 55 -3.848 -6.611 -6.851 1.00 0.00 O ATOM 911 CB PHE A 55 -3.173 -7.128 -3.599 1.00 0.00 C ATOM 912 CG PHE A 55 -2.252 -7.373 -2.438 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.641 -6.313 -1.788 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.997 -8.661 -1.999 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.791 -6.536 -0.719 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.149 -8.890 -0.931 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.546 -7.825 -0.290 1.00 0.00 C ATOM 0 H PHE A 55 -2.551 -4.974 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.626 -7.778 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.705 -6.190 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.923 -7.918 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.830 -5.302 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.466 -9.497 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.320 -5.702 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.958 -9.900 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.116 -8.001 0.545 1.00 0.00 H new ATOM 927 N TYR A 56 -3.744 -8.743 -6.137 1.00 0.00 N ATOM 928 CA TYR A 56 -4.652 -9.245 -7.161 1.00 0.00 C ATOM 929 C TYR A 56 -6.081 -8.774 -6.903 1.00 0.00 C ATOM 930 O TYR A 56 -6.793 -8.382 -7.826 1.00 0.00 O ATOM 931 CB TYR A 56 -4.609 -10.773 -7.207 1.00 0.00 C ATOM 932 CG TYR A 56 -3.404 -11.323 -7.936 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.148 -11.326 -7.341 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.521 -11.840 -9.220 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.045 -11.826 -8.005 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.424 -12.344 -9.891 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.187 -12.335 -9.279 1.00 0.00 C ATOM 938 OH TYR A 56 -0.092 -12.836 -9.943 1.00 0.00 O ATOM 0 H TYR A 56 -3.395 -9.456 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.326 -8.849 -8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.614 -11.159 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.514 -11.139 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.033 -10.931 -6.343 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.487 -11.848 -9.702 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.076 -11.818 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.534 -12.743 -10.889 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.364 -13.156 -10.828 1.00 0.00 H new ATOM 948 N GLU A 57 -6.490 -8.814 -5.638 1.00 0.00 N ATOM 949 CA GLU A 57 -7.833 -8.391 -5.257 1.00 0.00 C ATOM 950 C GLU A 57 -7.779 -7.326 -4.166 1.00 0.00 C ATOM 951 O GLU A 57 -6.723 -7.067 -3.589 1.00 0.00 O ATOM 952 CB GLU A 57 -8.652 -9.591 -4.775 1.00 0.00 C ATOM 953 CG GLU A 57 -8.415 -10.854 -5.586 1.00 0.00 C ATOM 954 CD GLU A 57 -9.632 -11.758 -5.625 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.206 -12.029 -4.549 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.009 -12.195 -6.731 1.00 0.00 O ATOM 0 H GLU A 57 -5.912 -9.134 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.314 -7.961 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.411 -9.789 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.711 -9.337 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.137 -10.581 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.574 -11.402 -5.162 1.00 0.00 H new ATOM 963 N HIS A 58 -8.925 -6.713 -3.888 1.00 0.00 N ATOM 964 CA HIS A 58 -9.009 -5.676 -2.866 1.00 0.00 C ATOM 965 C HIS A 58 -8.919 -6.282 -1.469 1.00 0.00 C ATOM 966 O HIS A 58 -8.373 -5.670 -0.551 1.00 0.00 O ATOM 967 CB HIS A 58 -10.313 -4.891 -3.011 1.00 0.00 C ATOM 968 CG HIS A 58 -10.547 -3.907 -1.908 1.00 0.00 C ATOM 969 ND1 HIS A 58 -9.893 -2.695 -1.830 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.369 -3.960 -0.833 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.301 -2.046 -0.754 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.197 -2.791 -0.132 1.00 0.00 N ATOM 0 H HIS A 58 -9.808 -6.916 -4.356 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.168 -4.996 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.304 -4.361 -3.963 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.147 -5.592 -3.044 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.202 -2.353 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.035 -4.770 -0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.960 -1.072 -0.437 1.00 0.00 H new ATOM 980 N ARG A 59 -9.459 -7.487 -1.316 1.00 0.00 N ATOM 981 CA ARG A 59 -9.441 -8.173 -0.030 1.00 0.00 C ATOM 982 C ARG A 59 -8.009 -8.377 0.458 1.00 0.00 C ATOM 983 O ARG A 59 -7.718 -8.211 1.643 1.00 0.00 O ATOM 984 CB ARG A 59 -10.151 -9.525 -0.140 1.00 0.00 C ATOM 985 CG ARG A 59 -9.853 -10.266 -1.433 1.00 0.00 C ATOM 986 CD ARG A 59 -10.305 -11.716 -1.361 1.00 0.00 C ATOM 987 NE ARG A 59 -11.692 -11.879 -1.783 1.00 0.00 N ATOM 988 CZ ARG A 59 -12.733 -11.658 -0.989 1.00 0.00 C ATOM 989 NH1 ARG A 59 -12.543 -11.267 0.264 1.00 0.00 N ATOM 990 NH2 ARG A 59 -13.968 -11.829 -1.446 1.00 0.00 N ATOM 0 H ARG A 59 -9.914 -8.008 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.968 -7.550 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.857 -10.150 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.227 -9.368 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.355 -9.768 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.783 -10.227 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.660 -12.328 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.192 -12.081 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.872 -12.179 -2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.596 -11.136 0.619 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.344 -11.098 0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.118 -12.131 -2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.766 -11.659 -0.834 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.122 -8.738 -0.463 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.721 -8.964 -0.126 1.00 0.00 C ATOM 1006 C ASP A 60 -5.038 -7.656 0.259 1.00 0.00 C ATOM 1007 O ASP A 60 -4.325 -7.588 1.261 1.00 0.00 O ATOM 1008 CB ASP A 60 -4.990 -9.608 -1.305 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.727 -10.812 -1.855 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.237 -11.616 -1.047 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.793 -10.953 -3.095 1.00 0.00 O ATOM 0 H ASP A 60 -7.348 -8.880 -1.447 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.681 -9.639 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.864 -8.870 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.992 -9.910 -0.989 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.259 -6.619 -0.543 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.665 -5.314 -0.285 1.00 0.00 C ATOM 1018 C ALA A 61 -5.106 -4.767 1.069 1.00 0.00 C ATOM 1019 O ALA A 61 -4.301 -4.216 1.820 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.031 -4.338 -1.394 1.00 0.00 C ATOM 0 H ALA A 61 -5.845 -6.658 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.582 -5.434 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.580 -3.367 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.661 -4.715 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.115 -4.232 -1.442 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.390 -4.924 1.376 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.938 -4.447 2.640 1.00 0.00 C ATOM 1028 C ALA A 62 -6.395 -5.256 3.812 1.00 0.00 C ATOM 1029 O ALA A 62 -6.069 -4.702 4.862 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.458 -4.508 2.612 1.00 0.00 C ATOM 0 H ALA A 62 -7.070 -5.378 0.766 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.630 -3.410 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.854 -4.149 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.832 -3.881 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.778 -5.538 2.451 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.302 -6.569 3.627 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.797 -7.453 4.669 1.00 0.00 C ATOM 1038 C ALA A 63 -4.323 -7.184 4.952 1.00 0.00 C ATOM 1039 O ALA A 63 -3.913 -7.080 6.107 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.003 -8.908 4.273 1.00 0.00 C ATOM 0 H ALA A 63 -6.570 -7.043 2.765 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.357 -7.253 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.621 -9.557 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.066 -9.099 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.469 -9.111 3.345 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.532 -7.074 3.890 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.103 -6.815 4.025 1.00 0.00 C ATOM 1048 C ALA A 64 -1.845 -5.380 4.470 1.00 0.00 C ATOM 1049 O ALA A 64 -0.899 -5.110 5.210 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.390 -7.098 2.712 1.00 0.00 C ATOM 0 H ALA A 64 -3.856 -7.160 2.927 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.709 -7.482 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.324 -6.901 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.538 -8.142 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.796 -6.455 1.931 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.692 -4.463 4.015 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.554 -3.054 4.366 1.00 0.00 C ATOM 1058 C LEU A 65 -2.634 -2.859 5.877 1.00 0.00 C ATOM 1059 O LEU A 65 -1.771 -2.218 6.476 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.640 -2.227 3.677 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.951 -0.868 4.305 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.902 0.157 3.904 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.341 -0.398 3.899 1.00 0.00 C ATOM 0 H LEU A 65 -3.481 -4.670 3.403 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.576 -2.715 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.343 -2.066 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.558 -2.814 3.658 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.928 -0.976 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.139 1.118 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.921 -0.174 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.893 0.263 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.545 0.571 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.392 -0.306 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.083 -1.122 4.237 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.674 -3.418 6.487 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.864 -3.310 7.928 1.00 0.00 C ATOM 1077 C ALA A 66 -2.792 -4.088 8.682 1.00 0.00 C ATOM 1078 O ALA A 66 -2.273 -3.623 9.698 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.249 -3.804 8.316 1.00 0.00 C ATOM 0 H ALA A 66 -4.398 -3.951 6.005 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.775 -2.259 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.377 -3.718 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.005 -3.202 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.359 -4.847 8.020 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.465 -5.274 8.181 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.453 -6.115 8.808 1.00 0.00 C ATOM 1087 C ALA A 67 -0.059 -5.524 8.630 1.00 0.00 C ATOM 1088 O ALA A 67 0.842 -5.784 9.427 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.508 -7.524 8.234 1.00 0.00 C ATOM 0 H ALA A 67 -2.886 -5.674 7.343 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.666 -6.160 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.747 -8.141 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.492 -7.954 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.324 -7.487 7.160 1.00 0.00 H new ATOM 1095 N MET A 68 0.111 -4.729 7.579 1.00 0.00 N ATOM 1096 CA MET A 68 1.397 -4.100 7.297 1.00 0.00 C ATOM 1097 C MET A 68 1.378 -2.626 7.690 1.00 0.00 C ATOM 1098 O MET A 68 2.422 -1.978 7.754 1.00 0.00 O ATOM 1099 CB MET A 68 1.743 -4.240 5.814 1.00 0.00 C ATOM 1100 CG MET A 68 1.918 -5.681 5.364 1.00 0.00 C ATOM 1101 SD MET A 68 3.210 -6.542 6.282 1.00 0.00 S ATOM 1102 CE MET A 68 4.680 -5.813 5.561 1.00 0.00 C ATOM 0 H MET A 68 -0.624 -4.505 6.909 1.00 0.00 H new ATOM 0 HA MET A 68 2.159 -4.606 7.889 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.956 -3.776 5.220 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.662 -3.690 5.610 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.975 -6.213 5.486 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.159 -5.699 4.301 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.495 -5.846 6.284 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.963 -6.372 4.669 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.477 -4.777 5.291 1.00 0.00 H new ATOM 1112 N ASN A 69 0.185 -2.102 7.952 1.00 0.00 N ATOM 1113 CA ASN A 69 0.032 -0.704 8.338 1.00 0.00 C ATOM 1114 C ASN A 69 0.765 -0.417 9.645 1.00 0.00 C ATOM 1115 O ASN A 69 0.263 -0.712 10.729 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.450 -0.353 8.485 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.674 0.851 9.378 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.871 0.714 10.586 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.644 2.039 8.788 1.00 0.00 N ATOM 0 H ASN A 69 -0.690 -2.624 7.904 1.00 0.00 H new ATOM 0 HA ASN A 69 0.469 -0.087 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.873 -0.155 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.984 -1.210 8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.787 2.886 9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.477 2.106 7.784 1.00 0.00 H new ATOM 1126 N GLY A 70 1.957 0.161 9.534 1.00 0.00 N ATOM 1127 CA GLY A 70 2.741 0.479 10.713 1.00 0.00 C ATOM 1128 C GLY A 70 3.385 -0.746 11.329 1.00 0.00 C ATOM 1129 O GLY A 70 3.547 -0.825 12.547 1.00 0.00 O ATOM 0 H GLY A 70 2.394 0.415 8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.516 1.198 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.101 0.960 11.453 1.00 0.00 H new ATOM 1133 N ARG A 71 3.751 -1.707 10.487 1.00 0.00 N ATOM 1134 CA ARG A 71 4.377 -2.937 10.957 1.00 0.00 C ATOM 1135 C ARG A 71 5.859 -2.715 11.249 1.00 0.00 C ATOM 1136 O ARG A 71 6.475 -1.790 10.720 1.00 0.00 O ATOM 1137 CB ARG A 71 4.213 -4.048 9.918 1.00 0.00 C ATOM 1138 CG ARG A 71 4.184 -5.444 10.518 1.00 0.00 C ATOM 1139 CD ARG A 71 4.707 -6.482 9.538 1.00 0.00 C ATOM 1140 NE ARG A 71 5.069 -7.730 10.204 1.00 0.00 N ATOM 1141 CZ ARG A 71 5.404 -8.840 9.555 1.00 0.00 C ATOM 1142 NH1 ARG A 71 5.421 -8.856 8.230 1.00 0.00 N ATOM 1143 NH2 ARG A 71 5.722 -9.935 10.232 1.00 0.00 N ATOM 0 H ARG A 71 3.625 -1.657 9.476 1.00 0.00 H new ATOM 0 HA ARG A 71 3.882 -3.237 11.881 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.290 -3.881 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.032 -3.987 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.786 -5.463 11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.164 -5.696 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.948 -6.682 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.578 -6.083 9.018 1.00 0.00 H new ATOM 0 HE ARG A 71 5.064 -7.751 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.177 -8.015 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.678 -9.709 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.710 -9.926 11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.979 -10.787 9.733 1.00 0.00 H new ATOM 1157 N LYS A 72 6.423 -3.568 12.096 1.00 0.00 N ATOM 1158 CA LYS A 72 7.832 -3.467 12.459 1.00 0.00 C ATOM 1159 C LYS A 72 8.694 -4.325 11.539 1.00 0.00 C ATOM 1160 O LYS A 72 8.577 -5.551 11.528 1.00 0.00 O ATOM 1161 CB LYS A 72 8.037 -3.897 13.914 1.00 0.00 C ATOM 1162 CG LYS A 72 7.924 -2.753 14.908 1.00 0.00 C ATOM 1163 CD LYS A 72 9.281 -2.141 15.210 1.00 0.00 C ATOM 1164 CE LYS A 72 9.838 -1.399 14.005 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.661 -2.288 13.138 1.00 0.00 N ATOM 0 H LYS A 72 5.926 -4.338 12.545 1.00 0.00 H new ATOM 0 HA LYS A 72 8.136 -2.426 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.301 -4.660 14.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.020 -4.358 14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.259 -1.987 14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.474 -3.116 15.832 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.193 -1.455 16.052 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.977 -2.925 15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.016 -0.983 13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.445 -0.559 14.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.627 -1.944 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.646 -2.284 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.285 -3.257 13.178 1.00 0.00 H new ATOM 1179 N ILE A 73 9.560 -3.673 10.770 1.00 0.00 N ATOM 1180 CA ILE A 73 10.443 -4.378 9.849 1.00 0.00 C ATOM 1181 C ILE A 73 11.867 -3.839 9.932 1.00 0.00 C ATOM 1182 O ILE A 73 12.106 -2.649 9.712 1.00 0.00 O ATOM 1183 CB ILE A 73 9.947 -4.264 8.395 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.529 -4.825 8.272 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.895 -4.992 7.453 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.886 -4.553 6.930 1.00 0.00 C ATOM 0 H ILE A 73 9.669 -2.659 10.767 1.00 0.00 H new ATOM 0 HA ILE A 73 10.436 -5.427 10.146 1.00 0.00 H new ATOM 0 HB ILE A 73 9.926 -3.211 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.557 -5.901 8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.907 -4.395 9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.531 -4.902 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.889 -4.551 7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.945 -6.045 7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.883 -4.979 6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.826 -3.477 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.485 -5.007 6.141 1.00 0.00 H new ATOM 1198 N LEU A 74 12.810 -4.719 10.248 1.00 0.00 N ATOM 1199 CA LEU A 74 14.212 -4.332 10.358 1.00 0.00 C ATOM 1200 C LEU A 74 14.394 -3.233 11.401 1.00 0.00 C ATOM 1201 O LEU A 74 15.202 -2.323 11.224 1.00 0.00 O ATOM 1202 CB LEU A 74 14.738 -3.856 9.003 1.00 0.00 C ATOM 1203 CG LEU A 74 14.644 -4.862 7.855 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.030 -4.208 6.538 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.527 -6.071 8.132 1.00 0.00 C ATOM 0 H LEU A 74 12.629 -5.706 10.433 1.00 0.00 H new ATOM 0 HA LEU A 74 14.780 -5.206 10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.190 -2.958 8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.782 -3.568 9.122 1.00 0.00 H new ATOM 0 HG LEU A 74 13.611 -5.201 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.957 -4.940 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.357 -3.376 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.054 -3.839 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.448 -6.777 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.563 -5.749 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.203 -6.555 9.054 1.00 0.00 H new ATOM 1217 N GLY A 75 13.637 -3.327 12.490 1.00 0.00 N ATOM 1218 CA GLY A 75 13.731 -2.336 13.547 1.00 0.00 C ATOM 1219 C GLY A 75 13.097 -1.015 13.160 1.00 0.00 C ATOM 1220 O GLY A 75 13.017 -0.095 13.973 1.00 0.00 O ATOM 0 H GLY A 75 12.960 -4.071 12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.246 -2.719 14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.780 -2.173 13.796 1.00 0.00 H new ATOM 1224 N LYS A 76 12.646 -0.919 11.914 1.00 0.00 N ATOM 1225 CA LYS A 76 12.017 0.300 11.419 1.00 0.00 C ATOM 1226 C LYS A 76 10.546 0.059 11.097 1.00 0.00 C ATOM 1227 O LYS A 76 10.213 -0.790 10.270 1.00 0.00 O ATOM 1228 CB LYS A 76 12.747 0.806 10.173 1.00 0.00 C ATOM 1229 CG LYS A 76 12.666 2.312 9.990 1.00 0.00 C ATOM 1230 CD LYS A 76 13.593 2.791 8.887 1.00 0.00 C ATOM 1231 CE LYS A 76 13.833 4.289 8.971 1.00 0.00 C ATOM 1232 NZ LYS A 76 12.638 5.068 8.541 1.00 0.00 N ATOM 0 H LYS A 76 12.704 -1.671 11.228 1.00 0.00 H new ATOM 0 HA LYS A 76 12.081 1.056 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.795 0.511 10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.327 0.318 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.641 2.596 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.926 2.807 10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.545 2.265 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.163 2.544 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.093 4.558 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.685 4.556 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.937 5.850 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.987 4.446 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.155 5.453 9.378 1.00 0.00 H new ATOM 1246 N GLU A 77 9.669 0.813 11.753 1.00 0.00 N ATOM 1247 CA GLU A 77 8.234 0.681 11.534 1.00 0.00 C ATOM 1248 C GLU A 77 7.836 1.247 10.175 1.00 0.00 C ATOM 1249 O GLU A 77 8.042 2.429 9.897 1.00 0.00 O ATOM 1250 CB GLU A 77 7.458 1.396 12.643 1.00 0.00 C ATOM 1251 CG GLU A 77 6.100 0.781 12.931 1.00 0.00 C ATOM 1252 CD GLU A 77 5.167 1.735 13.649 1.00 0.00 C ATOM 1253 OE1 GLU A 77 4.836 2.790 13.067 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.767 1.429 14.791 1.00 0.00 O ATOM 0 H GLU A 77 9.928 1.521 12.440 1.00 0.00 H new ATOM 0 HA GLU A 77 7.987 -0.380 11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.053 1.385 13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.322 2.441 12.364 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.641 0.467 11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.233 -0.116 13.536 1.00 0.00 H new ATOM 1261 N VAL A 78 7.266 0.395 9.328 1.00 0.00 N ATOM 1262 CA VAL A 78 6.839 0.808 7.997 1.00 0.00 C ATOM 1263 C VAL A 78 5.379 1.247 8.001 1.00 0.00 C ATOM 1264 O VAL A 78 4.519 0.577 8.573 1.00 0.00 O ATOM 1265 CB VAL A 78 7.021 -0.326 6.972 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.323 -1.071 7.225 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.835 -1.278 7.014 1.00 0.00 C ATOM 0 H VAL A 78 7.089 -0.587 9.541 1.00 0.00 H new ATOM 0 HA VAL A 78 7.468 1.651 7.709 1.00 0.00 H new ATOM 0 HB VAL A 78 7.070 0.113 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.434 -1.869 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.161 -0.379 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.308 -1.500 8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.981 -2.073 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.752 -1.712 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.922 -0.732 6.779 1.00 0.00 H new ATOM 1277 N LYS A 79 5.104 2.376 7.356 1.00 0.00 N ATOM 1278 CA LYS A 79 3.747 2.904 7.282 1.00 0.00 C ATOM 1279 C LYS A 79 3.091 2.533 5.956 1.00 0.00 C ATOM 1280 O LYS A 79 3.655 2.761 4.886 1.00 0.00 O ATOM 1281 CB LYS A 79 3.761 4.426 7.447 1.00 0.00 C ATOM 1282 CG LYS A 79 4.540 5.149 6.362 1.00 0.00 C ATOM 1283 CD LYS A 79 4.530 6.653 6.577 1.00 0.00 C ATOM 1284 CE LYS A 79 5.311 7.376 5.490 1.00 0.00 C ATOM 1285 NZ LYS A 79 5.307 8.852 5.693 1.00 0.00 N ATOM 0 H LYS A 79 5.804 2.943 6.877 1.00 0.00 H new ATOM 0 HA LYS A 79 3.167 2.461 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.734 4.792 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.191 4.674 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.569 4.789 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.110 4.917 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.501 7.013 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.960 6.885 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.339 7.014 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.880 7.142 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.849 9.309 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.328 9.202 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.741 9.077 6.611 1.00 0.00 H new ATOM 1299 N VAL A 80 1.893 1.960 6.034 1.00 0.00 N ATOM 1300 CA VAL A 80 1.158 1.559 4.841 1.00 0.00 C ATOM 1301 C VAL A 80 -0.211 2.228 4.788 1.00 0.00 C ATOM 1302 O VAL A 80 -0.905 2.323 5.799 1.00 0.00 O ATOM 1303 CB VAL A 80 0.975 0.032 4.781 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.532 -0.400 3.391 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.260 -0.675 5.184 1.00 0.00 C ATOM 0 H VAL A 80 1.412 1.763 6.912 1.00 0.00 H new ATOM 0 HA VAL A 80 1.749 1.880 3.983 1.00 0.00 H new ATOM 0 HB VAL A 80 0.195 -0.250 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.408 -1.483 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.416 0.079 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.286 -0.106 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.112 -1.754 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.062 -0.388 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.528 -0.391 6.202 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.593 2.689 3.602 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.880 3.349 3.417 1.00 0.00 C ATOM 1317 C ASN A 81 -2.392 3.156 1.993 1.00 0.00 C ATOM 1318 O ASN A 81 -1.628 2.811 1.090 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.761 4.843 3.729 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.087 5.456 4.137 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.691 5.052 5.130 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.545 6.437 3.367 1.00 0.00 N ATOM 0 H ASN A 81 -0.030 2.618 2.755 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.593 2.896 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.035 4.988 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.377 5.365 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.432 6.888 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.009 6.739 2.553 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.686 3.381 1.799 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.299 3.232 0.483 1.00 0.00 C ATOM 1331 C TRP A 82 -3.727 4.245 -0.502 1.00 0.00 C ATOM 1332 O TRP A 82 -3.846 5.454 -0.301 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.816 3.399 0.584 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.497 2.250 1.265 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.995 2.229 2.537 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.752 0.955 0.711 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.543 1.000 2.806 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.409 0.200 1.703 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.492 0.360 -0.527 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.806 -1.117 1.493 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.887 -0.947 -0.733 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.539 -1.675 0.271 1.00 0.00 C ATOM 0 H TRP A 82 -4.331 3.667 2.535 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.074 2.231 0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.038 4.317 1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.229 3.514 -0.418 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.962 3.058 3.229 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.980 0.726 3.686 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.991 0.913 -1.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.307 -1.680 2.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.690 -1.417 -1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.837 -2.695 0.078 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.107 3.745 -1.565 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.520 4.608 -2.582 1.00 0.00 C ATOM 1355 C ALA A 83 -3.600 5.282 -3.422 1.00 0.00 C ATOM 1356 O ALA A 83 -4.118 4.695 -4.372 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.578 3.809 -3.472 1.00 0.00 C ATOM 0 H ALA A 83 -2.998 2.747 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.951 5.388 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.146 4.466 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.780 3.380 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.132 3.008 -3.962 1.00 0.00 H new