USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 Single : A 14 SER OG : rot 30:sc= 0.157 USER MOD Single : A 16 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.11) USER MOD Single : A 21 SER OG : rot -150:sc= -0.117 USER MOD Single : A 26 SER OG : rot 180:sc= 0.311 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.515 K(o=0.51,f=-0.56) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0261 (180deg=-0.443) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -164:sc= -1.8 (180deg=-2.56!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -152:sc= -0.43 (180deg=-1.09) USER MOD Single : A 64 THR OG1 : rot 61:sc= 1.29 USER MOD Single : A 65 TYR OH : rot -21:sc= 1.33 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -86:sc= 0.266 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot -160:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N SER A 14 -4.014 10.851 -8.558 1.00 65.31 N ATOM 180 CA SER A 14 -3.285 11.859 -7.814 1.00 43.10 C ATOM 181 C SER A 14 -2.096 11.197 -7.138 1.00 54.32 C ATOM 182 O SER A 14 -2.023 9.974 -7.028 1.00 50.20 O ATOM 183 CB SER A 14 -4.227 12.528 -6.810 1.00 13.12 C ATOM 184 OG SER A 14 -5.305 13.108 -7.518 1.00 70.10 O ATOM 0 HA SER A 14 -2.907 12.639 -8.475 1.00 43.10 H new ATOM 0 HB2 SER A 14 -4.597 11.796 -6.092 1.00 13.12 H new ATOM 0 HB3 SER A 14 -3.694 13.290 -6.242 1.00 13.12 H new ATOM 0 HG SER A 14 -5.475 12.593 -8.334 1.00 70.10 H new ATOM 189 N GLU A 15 -1.164 12.028 -6.684 1.00 65.34 N ATOM 190 CA GLU A 15 0.161 11.684 -6.181 1.00 43.02 C ATOM 191 C GLU A 15 0.127 11.016 -4.796 1.00 42.44 C ATOM 192 O GLU A 15 1.065 11.174 -4.012 1.00 43.04 O ATOM 193 CB GLU A 15 0.968 12.994 -6.145 1.00 32.42 C ATOM 194 CG GLU A 15 1.367 13.486 -7.541 1.00 54.12 C ATOM 195 CD GLU A 15 2.000 14.881 -7.507 1.00 64.31 C ATOM 196 OE1 GLU A 15 2.536 15.306 -6.454 1.00 42.34 O ATOM 197 OE2 GLU A 15 1.901 15.610 -8.525 1.00 23.34 O ATOM 0 H GLU A 15 -1.327 13.034 -6.656 1.00 65.34 H new ATOM 0 HA GLU A 15 0.621 10.945 -6.837 1.00 43.02 H new ATOM 0 HB2 GLU A 15 0.379 13.765 -5.648 1.00 32.42 H new ATOM 0 HB3 GLU A 15 1.867 12.845 -5.547 1.00 32.42 H new ATOM 0 HG2 GLU A 15 2.070 12.781 -7.985 1.00 54.12 H new ATOM 0 HG3 GLU A 15 0.486 13.505 -8.183 1.00 54.12 H new ATOM 202 N ASN A 16 -0.961 10.351 -4.410 1.00 70.50 N ATOM 203 CA ASN A 16 -1.100 9.718 -3.096 1.00 53.44 C ATOM 204 C ASN A 16 -1.749 8.332 -3.238 1.00 1.31 C ATOM 205 O ASN A 16 -2.165 7.730 -2.255 1.00 3.44 O ATOM 206 CB ASN A 16 -1.820 10.642 -2.068 1.00 41.41 C ATOM 207 CG ASN A 16 -1.900 12.132 -2.411 1.00 3.32 C ATOM 208 OD1 ASN A 16 -2.973 12.697 -2.597 1.00 53.44 O ATOM 209 ND2 ASN A 16 -0.763 12.800 -2.543 1.00 31.25 N ATOM 0 H ASN A 16 -1.780 10.234 -5.006 1.00 70.50 H new ATOM 0 HA ASN A 16 -0.104 9.563 -2.680 1.00 53.44 H new ATOM 0 HB2 ASN A 16 -2.836 10.271 -1.932 1.00 41.41 H new ATOM 0 HB3 ASN A 16 -1.312 10.542 -1.109 1.00 41.41 H new ATOM 0 HD21 ASN A 16 -0.778 13.787 -2.800 1.00 31.25 H new ATOM 0 HD22 ASN A 16 0.127 12.327 -2.388 1.00 31.25 H new ATOM 215 N ARG A 17 -1.815 7.780 -4.453 1.00 51.30 N ATOM 216 CA ARG A 17 -2.456 6.484 -4.721 1.00 32.33 C ATOM 217 C ARG A 17 -1.428 5.369 -4.726 1.00 52.44 C ATOM 218 O ARG A 17 -0.335 5.562 -5.269 1.00 10.15 O ATOM 219 CB ARG A 17 -3.210 6.497 -6.061 1.00 13.05 C ATOM 220 CG ARG A 17 -4.294 5.407 -6.073 1.00 65.53 C ATOM 221 CD ARG A 17 -5.106 5.419 -7.374 1.00 14.14 C ATOM 222 NE ARG A 17 -6.489 4.920 -7.189 1.00 32.51 N ATOM 223 CZ ARG A 17 -7.435 5.473 -6.407 1.00 45.22 C ATOM 224 NH1 ARG A 17 -7.218 6.624 -5.787 1.00 30.45 N ATOM 225 NH2 ARG A 17 -8.625 4.914 -6.230 1.00 51.01 N ATOM 0 H ARG A 17 -1.423 8.221 -5.285 1.00 51.30 H new ATOM 0 HA ARG A 17 -3.175 6.306 -3.922 1.00 32.33 H new ATOM 0 HB2 ARG A 17 -3.665 7.474 -6.220 1.00 13.05 H new ATOM 0 HB3 ARG A 17 -2.511 6.333 -6.881 1.00 13.05 H new ATOM 0 HG2 ARG A 17 -3.827 4.430 -5.946 1.00 65.53 H new ATOM 0 HG3 ARG A 17 -4.964 5.553 -5.226 1.00 65.53 H new ATOM 0 HD2 ARG A 17 -5.140 6.435 -7.767 1.00 14.14 H new ATOM 0 HD3 ARG A 17 -4.599 4.806 -8.119 1.00 14.14 H new ATOM 0 HE ARG A 17 -6.749 4.078 -7.703 1.00 32.51 H new ATOM 0 HH11 ARG A 17 -6.325 7.103 -5.899 1.00 30.45 H new ATOM 0 HH12 ARG A 17 -7.944 7.031 -5.198 1.00 30.45 H new ATOM 0 HH21 ARG A 17 -8.849 4.034 -6.695 1.00 51.01 H new ATOM 0 HH22 ARG A 17 -9.316 5.364 -5.629 1.00 51.01 H new ATOM 236 N VAL A 18 -1.823 4.190 -4.248 1.00 44.11 N ATOM 237 CA VAL A 18 -1.098 2.952 -4.470 1.00 23.33 C ATOM 238 C VAL A 18 -2.092 1.865 -4.885 1.00 23.52 C ATOM 239 O VAL A 18 -3.289 1.958 -4.621 1.00 21.45 O ATOM 240 CB VAL A 18 -0.256 2.554 -3.236 1.00 73.54 C ATOM 241 CG1 VAL A 18 0.779 3.621 -2.877 1.00 51.14 C ATOM 242 CG2 VAL A 18 -1.078 2.233 -1.990 1.00 22.33 C ATOM 0 H VAL A 18 -2.668 4.072 -3.689 1.00 44.11 H new ATOM 0 HA VAL A 18 -0.380 3.089 -5.278 1.00 23.33 H new ATOM 0 HB VAL A 18 0.244 1.637 -3.547 1.00 73.54 H new ATOM 0 HG11 VAL A 18 1.347 3.298 -2.004 1.00 51.14 H new ATOM 0 HG12 VAL A 18 1.457 3.767 -3.718 1.00 51.14 H new ATOM 0 HG13 VAL A 18 0.272 4.559 -2.653 1.00 51.14 H new ATOM 0 HG21 VAL A 18 -0.409 1.964 -1.172 1.00 22.33 H new ATOM 0 HG22 VAL A 18 -1.665 3.107 -1.706 1.00 22.33 H new ATOM 0 HG23 VAL A 18 -1.747 1.399 -2.201 1.00 22.33 H new ATOM 252 N VAL A 19 -1.595 0.805 -5.508 1.00 32.21 N ATOM 253 CA VAL A 19 -2.323 -0.447 -5.687 1.00 71.11 C ATOM 254 C VAL A 19 -1.449 -1.551 -5.081 1.00 65.52 C ATOM 255 O VAL A 19 -0.223 -1.450 -5.083 1.00 72.54 O ATOM 256 CB VAL A 19 -2.684 -0.600 -7.186 1.00 3.12 C ATOM 257 CG1 VAL A 19 -3.221 -1.976 -7.606 1.00 5.05 C ATOM 258 CG2 VAL A 19 -3.754 0.433 -7.580 1.00 54.03 C ATOM 0 H VAL A 19 -0.658 0.789 -5.911 1.00 32.21 H new ATOM 0 HA VAL A 19 -3.282 -0.492 -5.171 1.00 71.11 H new ATOM 0 HB VAL A 19 -1.733 -0.453 -7.699 1.00 3.12 H new ATOM 0 HG11 VAL A 19 -3.441 -1.970 -8.674 1.00 5.05 H new ATOM 0 HG12 VAL A 19 -2.472 -2.739 -7.394 1.00 5.05 H new ATOM 0 HG13 VAL A 19 -4.132 -2.197 -7.049 1.00 5.05 H new ATOM 0 HG21 VAL A 19 -4.001 0.317 -8.635 1.00 54.03 H new ATOM 0 HG22 VAL A 19 -4.650 0.277 -6.979 1.00 54.03 H new ATOM 0 HG23 VAL A 19 -3.371 1.438 -7.405 1.00 54.03 H new ATOM 268 N VAL A 20 -2.074 -2.599 -4.550 1.00 34.35 N ATOM 269 CA VAL A 20 -1.429 -3.793 -4.023 1.00 42.04 C ATOM 270 C VAL A 20 -1.670 -4.913 -5.046 1.00 53.40 C ATOM 271 O VAL A 20 -2.655 -4.860 -5.787 1.00 31.45 O ATOM 272 CB VAL A 20 -2.024 -4.091 -2.628 1.00 10.34 C ATOM 273 CG1 VAL A 20 -1.390 -5.324 -1.968 1.00 14.30 C ATOM 274 CG2 VAL A 20 -1.843 -2.906 -1.660 1.00 43.05 C ATOM 0 H VAL A 20 -3.090 -2.638 -4.473 1.00 34.35 H new ATOM 0 HA VAL A 20 -0.353 -3.682 -3.886 1.00 42.04 H new ATOM 0 HB VAL A 20 -3.083 -4.275 -2.808 1.00 10.34 H new ATOM 0 HG11 VAL A 20 -1.844 -5.488 -0.991 1.00 14.30 H new ATOM 0 HG12 VAL A 20 -1.556 -6.199 -2.597 1.00 14.30 H new ATOM 0 HG13 VAL A 20 -0.319 -5.162 -1.847 1.00 14.30 H new ATOM 0 HG21 VAL A 20 -2.275 -3.158 -0.692 1.00 43.05 H new ATOM 0 HG22 VAL A 20 -0.781 -2.694 -1.539 1.00 43.05 H new ATOM 0 HG23 VAL A 20 -2.345 -2.027 -2.064 1.00 43.05 H new ATOM 284 N SER A 21 -0.813 -5.939 -5.139 1.00 33.33 N ATOM 285 CA SER A 21 -1.060 -7.056 -6.055 1.00 43.43 C ATOM 286 C SER A 21 -0.590 -8.386 -5.482 1.00 12.35 C ATOM 287 O SER A 21 0.264 -8.410 -4.595 1.00 3.04 O ATOM 288 CB SER A 21 -0.332 -6.819 -7.371 1.00 33.32 C ATOM 289 OG SER A 21 -0.744 -5.603 -7.977 1.00 41.32 O ATOM 0 H SER A 21 0.048 -6.017 -4.597 1.00 33.33 H new ATOM 0 HA SER A 21 -2.138 -7.106 -6.210 1.00 43.43 H new ATOM 0 HB2 SER A 21 0.743 -6.794 -7.195 1.00 33.32 H new ATOM 0 HB3 SER A 21 -0.524 -7.650 -8.050 1.00 33.32 H new ATOM 0 HG SER A 21 -0.670 -5.682 -8.951 1.00 41.32 H new ATOM 294 N GLY A 22 -1.086 -9.485 -6.056 1.00 72.24 N ATOM 295 CA GLY A 22 -0.812 -10.856 -5.647 1.00 63.33 C ATOM 296 C GLY A 22 -1.682 -11.307 -4.470 1.00 73.42 C ATOM 297 O GLY A 22 -1.385 -12.324 -3.846 1.00 33.52 O ATOM 0 H GLY A 22 -1.718 -9.436 -6.855 1.00 72.24 H new ATOM 0 HA2 GLY A 22 -0.978 -11.523 -6.493 1.00 63.33 H new ATOM 0 HA3 GLY A 22 0.239 -10.946 -5.372 1.00 63.33 H new ATOM 301 N LEU A 23 -2.723 -10.531 -4.143 1.00 32.22 N ATOM 302 CA LEU A 23 -3.528 -10.708 -2.938 1.00 50.21 C ATOM 303 C LEU A 23 -4.274 -12.054 -2.942 1.00 52.33 C ATOM 304 O LEU A 23 -4.742 -12.453 -4.009 1.00 24.22 O ATOM 305 CB LEU A 23 -4.525 -9.542 -2.837 1.00 54.02 C ATOM 306 CG LEU A 23 -3.892 -8.287 -2.213 1.00 51.43 C ATOM 307 CD1 LEU A 23 -4.558 -7.025 -2.758 1.00 4.02 C ATOM 308 CD2 LEU A 23 -3.996 -8.313 -0.685 1.00 30.44 C ATOM 0 H LEU A 23 -3.031 -9.750 -4.722 1.00 32.22 H new ATOM 0 HA LEU A 23 -2.867 -10.714 -2.072 1.00 50.21 H new ATOM 0 HB2 LEU A 23 -4.901 -9.301 -3.831 1.00 54.02 H new ATOM 0 HB3 LEU A 23 -5.382 -9.850 -2.238 1.00 54.02 H new ATOM 0 HG LEU A 23 -2.836 -8.279 -2.484 1.00 51.43 H new ATOM 0 HD11 LEU A 23 -4.098 -6.146 -2.306 1.00 4.02 H new ATOM 0 HD12 LEU A 23 -4.431 -6.985 -3.840 1.00 4.02 H new ATOM 0 HD13 LEU A 23 -5.621 -7.042 -2.518 1.00 4.02 H new ATOM 0 HD21 LEU A 23 -3.540 -7.413 -0.274 1.00 30.44 H new ATOM 0 HD22 LEU A 23 -5.045 -8.354 -0.392 1.00 30.44 H new ATOM 0 HD23 LEU A 23 -3.477 -9.191 -0.300 1.00 30.44 H new ATOM 319 N PRO A 24 -4.433 -12.705 -1.772 1.00 11.20 N ATOM 320 CA PRO A 24 -5.097 -14.001 -1.635 1.00 5.21 C ATOM 321 C PRO A 24 -6.624 -13.934 -1.824 1.00 45.11 C ATOM 322 O PRO A 24 -7.209 -12.850 -1.723 1.00 63.22 O ATOM 323 CB PRO A 24 -4.717 -14.508 -0.235 1.00 53.42 C ATOM 324 CG PRO A 24 -4.315 -13.266 0.546 1.00 43.43 C ATOM 325 CD PRO A 24 -3.849 -12.284 -0.507 1.00 62.34 C ATOM 0 HA PRO A 24 -4.768 -14.680 -2.422 1.00 5.21 H new ATOM 0 HB2 PRO A 24 -5.556 -15.017 0.240 1.00 53.42 H new ATOM 0 HB3 PRO A 24 -3.897 -15.224 -0.285 1.00 53.42 H new ATOM 0 HG2 PRO A 24 -5.155 -12.867 1.115 1.00 43.43 H new ATOM 0 HG3 PRO A 24 -3.522 -13.487 1.260 1.00 43.43 H new ATOM 0 HD2 PRO A 24 -4.164 -11.271 -0.255 1.00 62.34 H new ATOM 0 HD3 PRO A 24 -2.761 -12.274 -0.569 1.00 62.34 H new ATOM 330 N PRO A 25 -7.304 -15.082 -2.023 1.00 45.23 N ATOM 331 CA PRO A 25 -8.723 -15.116 -2.369 1.00 51.11 C ATOM 332 C PRO A 25 -9.636 -14.649 -1.236 1.00 44.41 C ATOM 333 O PRO A 25 -10.670 -14.044 -1.505 1.00 33.33 O ATOM 334 CB PRO A 25 -9.015 -16.560 -2.794 1.00 22.33 C ATOM 335 CG PRO A 25 -7.939 -17.377 -2.086 1.00 11.42 C ATOM 336 CD PRO A 25 -6.745 -16.428 -2.096 1.00 25.13 C ATOM 0 HA PRO A 25 -8.934 -14.412 -3.174 1.00 51.11 H new ATOM 0 HB2 PRO A 25 -10.015 -16.870 -2.492 1.00 22.33 H new ATOM 0 HB3 PRO A 25 -8.958 -16.677 -3.876 1.00 22.33 H new ATOM 0 HG2 PRO A 25 -8.235 -17.646 -1.072 1.00 11.42 H new ATOM 0 HG3 PRO A 25 -7.723 -18.307 -2.612 1.00 11.42 H new ATOM 0 HD2 PRO A 25 -6.084 -16.623 -1.251 1.00 25.13 H new ATOM 0 HD3 PRO A 25 -6.152 -16.556 -3.001 1.00 25.13 H new ATOM 341 N SER A 26 -9.269 -14.896 0.023 1.00 25.34 N ATOM 342 CA SER A 26 -10.004 -14.428 1.194 1.00 63.24 C ATOM 343 C SER A 26 -9.348 -13.149 1.729 1.00 14.30 C ATOM 344 O SER A 26 -9.166 -12.983 2.937 1.00 41.14 O ATOM 345 CB SER A 26 -10.102 -15.591 2.188 1.00 34.51 C ATOM 346 OG SER A 26 -10.939 -15.319 3.300 1.00 43.11 O ATOM 0 H SER A 26 -8.437 -15.437 0.259 1.00 25.34 H new ATOM 0 HA SER A 26 -11.029 -14.138 0.964 1.00 63.24 H new ATOM 0 HB2 SER A 26 -10.478 -16.472 1.668 1.00 34.51 H new ATOM 0 HB3 SER A 26 -9.103 -15.836 2.548 1.00 34.51 H new ATOM 0 HG SER A 26 -10.961 -16.100 3.891 1.00 43.11 H new ATOM 351 N GLY A 27 -8.941 -12.250 0.835 1.00 72.14 N ATOM 352 CA GLY A 27 -8.434 -10.934 1.168 1.00 3.41 C ATOM 353 C GLY A 27 -9.543 -9.925 0.930 1.00 52.23 C ATOM 354 O GLY A 27 -10.091 -9.856 -0.168 1.00 13.20 O ATOM 0 H GLY A 27 -8.958 -12.429 -0.169 1.00 72.14 H new ATOM 0 HA2 GLY A 27 -8.109 -10.904 2.208 1.00 3.41 H new ATOM 0 HA3 GLY A 27 -7.565 -10.695 0.555 1.00 3.41 H new ATOM 358 N SER A 28 -9.876 -9.148 1.955 1.00 73.15 N ATOM 359 CA SER A 28 -10.719 -7.968 1.873 1.00 10.34 C ATOM 360 C SER A 28 -9.975 -6.767 2.463 1.00 33.52 C ATOM 361 O SER A 28 -8.931 -6.901 3.106 1.00 34.51 O ATOM 362 CB SER A 28 -12.046 -8.225 2.596 1.00 1.31 C ATOM 363 OG SER A 28 -12.916 -9.006 1.802 1.00 2.43 O ATOM 0 H SER A 28 -9.551 -9.334 2.904 1.00 73.15 H new ATOM 0 HA SER A 28 -10.948 -7.745 0.831 1.00 10.34 H new ATOM 0 HB2 SER A 28 -11.856 -8.734 3.541 1.00 1.31 H new ATOM 0 HB3 SER A 28 -12.523 -7.275 2.836 1.00 1.31 H new ATOM 0 HG SER A 28 -13.754 -9.157 2.287 1.00 2.43 H new ATOM 368 N TRP A 29 -10.537 -5.572 2.264 1.00 73.23 N ATOM 369 CA TRP A 29 -9.918 -4.307 2.646 1.00 72.15 C ATOM 370 C TRP A 29 -9.679 -4.175 4.148 1.00 12.10 C ATOM 371 O TRP A 29 -8.860 -3.354 4.552 1.00 51.43 O ATOM 372 CB TRP A 29 -10.785 -3.151 2.147 1.00 62.51 C ATOM 373 CG TRP A 29 -12.219 -3.201 2.565 1.00 70.41 C ATOM 374 CD1 TRP A 29 -13.239 -3.585 1.769 1.00 43.21 C ATOM 375 CD2 TRP A 29 -12.821 -2.847 3.850 1.00 30.40 C ATOM 376 NE1 TRP A 29 -14.415 -3.542 2.479 1.00 22.32 N ATOM 377 CE2 TRP A 29 -14.224 -3.098 3.768 1.00 64.04 C ATOM 378 CE3 TRP A 29 -12.333 -2.329 5.070 1.00 23.24 C ATOM 379 CZ2 TRP A 29 -15.095 -2.852 4.839 1.00 31.01 C ATOM 380 CZ3 TRP A 29 -13.197 -2.100 6.157 1.00 21.24 C ATOM 381 CH2 TRP A 29 -14.573 -2.355 6.045 1.00 30.30 C ATOM 0 H TRP A 29 -11.451 -5.458 1.825 1.00 73.23 H new ATOM 0 HA TRP A 29 -8.933 -4.278 2.179 1.00 72.15 H new ATOM 0 HB2 TRP A 29 -10.353 -2.215 2.501 1.00 62.51 H new ATOM 0 HB3 TRP A 29 -10.742 -3.130 1.058 1.00 62.51 H new ATOM 0 HD1 TRP A 29 -13.146 -3.880 0.734 1.00 43.21 H new ATOM 0 HE1 TRP A 29 -15.322 -3.808 2.096 1.00 22.32 H new ATOM 0 HE3 TRP A 29 -11.281 -2.105 5.170 1.00 23.24 H new ATOM 0 HZ2 TRP A 29 -16.153 -3.042 4.738 1.00 31.01 H new ATOM 0 HZ3 TRP A 29 -12.797 -1.724 7.087 1.00 21.24 H new ATOM 0 HH2 TRP A 29 -15.228 -2.170 6.883 1.00 30.30 H new ATOM 391 N GLN A 30 -10.381 -4.955 4.971 1.00 45.24 N ATOM 392 CA GLN A 30 -10.236 -4.892 6.410 1.00 2.03 C ATOM 393 C GLN A 30 -8.847 -5.405 6.781 1.00 23.31 C ATOM 394 O GLN A 30 -8.066 -4.623 7.314 1.00 45.14 O ATOM 395 CB GLN A 30 -11.379 -5.680 7.084 1.00 34.43 C ATOM 396 CG GLN A 30 -11.699 -5.250 8.523 1.00 72.51 C ATOM 397 CD GLN A 30 -10.490 -5.323 9.451 1.00 50.03 C ATOM 398 OE1 GLN A 30 -10.073 -6.394 9.887 1.00 12.11 O ATOM 399 NE2 GLN A 30 -9.897 -4.180 9.756 1.00 5.20 N ATOM 0 H GLN A 30 -11.062 -5.644 4.651 1.00 45.24 H new ATOM 0 HA GLN A 30 -10.316 -3.867 6.772 1.00 2.03 H new ATOM 0 HB2 GLN A 30 -12.280 -5.574 6.480 1.00 34.43 H new ATOM 0 HB3 GLN A 30 -11.119 -6.739 7.086 1.00 34.43 H new ATOM 0 HG2 GLN A 30 -12.082 -4.230 8.514 1.00 72.51 H new ATOM 0 HG3 GLN A 30 -12.492 -5.885 8.918 1.00 72.51 H new ATOM 0 HE21 GLN A 30 -10.259 -3.302 9.383 1.00 5.20 H new ATOM 0 HE22 GLN A 30 -9.078 -4.177 10.364 1.00 5.20 H new ATOM 406 N ASP A 31 -8.517 -6.666 6.464 1.00 41.04 N ATOM 407 CA ASP A 31 -7.176 -7.193 6.739 1.00 52.45 C ATOM 408 C ASP A 31 -6.142 -6.354 5.985 1.00 52.23 C ATOM 409 O ASP A 31 -5.090 -6.046 6.530 1.00 54.13 O ATOM 410 CB ASP A 31 -7.034 -8.698 6.434 1.00 45.05 C ATOM 411 CG ASP A 31 -6.236 -9.433 7.524 1.00 61.51 C ATOM 412 OD1 ASP A 31 -5.080 -9.070 7.830 1.00 2.23 O ATOM 413 OD2 ASP A 31 -6.829 -10.358 8.130 1.00 62.33 O ATOM 0 H ASP A 31 -9.152 -7.331 6.023 1.00 41.04 H new ATOM 0 HA ASP A 31 -6.997 -7.110 7.811 1.00 52.45 H new ATOM 0 HB2 ASP A 31 -8.024 -9.145 6.346 1.00 45.05 H new ATOM 0 HB3 ASP A 31 -6.539 -8.828 5.472 1.00 45.05 H new ATOM 417 N LEU A 32 -6.478 -5.862 4.779 1.00 64.55 N ATOM 418 CA LEU A 32 -5.638 -4.928 4.028 1.00 34.51 C ATOM 419 C LEU A 32 -5.233 -3.737 4.890 1.00 41.33 C ATOM 420 O LEU A 32 -4.047 -3.456 4.991 1.00 10.34 O ATOM 421 CB LEU A 32 -6.308 -4.485 2.719 1.00 4.02 C ATOM 422 CG LEU A 32 -5.402 -4.107 1.532 1.00 12.14 C ATOM 423 CD1 LEU A 32 -4.621 -2.814 1.755 1.00 3.20 C ATOM 424 CD2 LEU A 32 -4.448 -5.227 1.123 1.00 62.53 C ATOM 0 H LEU A 32 -7.345 -6.106 4.301 1.00 64.55 H new ATOM 0 HA LEU A 32 -4.726 -5.456 3.751 1.00 34.51 H new ATOM 0 HB2 LEU A 32 -6.967 -5.290 2.393 1.00 4.02 H new ATOM 0 HB3 LEU A 32 -6.941 -3.626 2.942 1.00 4.02 H new ATOM 0 HG LEU A 32 -6.097 -3.940 0.709 1.00 12.14 H new ATOM 0 HD11 LEU A 32 -4.003 -2.607 0.881 1.00 3.20 H new ATOM 0 HD12 LEU A 32 -5.318 -1.990 1.911 1.00 3.20 H new ATOM 0 HD13 LEU A 32 -3.984 -2.921 2.633 1.00 3.20 H new ATOM 0 HD21 LEU A 32 -3.838 -4.897 0.282 1.00 62.53 H new ATOM 0 HD22 LEU A 32 -3.801 -5.479 1.963 1.00 62.53 H new ATOM 0 HD23 LEU A 32 -5.023 -6.106 0.831 1.00 62.53 H new ATOM 435 N LYS A 33 -6.169 -3.025 5.516 1.00 50.05 N ATOM 436 CA LYS A 33 -5.873 -1.827 6.309 1.00 61.52 C ATOM 437 C LYS A 33 -5.365 -2.167 7.704 1.00 5.42 C ATOM 438 O LYS A 33 -4.718 -1.350 8.360 1.00 12.20 O ATOM 439 CB LYS A 33 -7.168 -1.001 6.374 1.00 5.43 C ATOM 440 CG LYS A 33 -7.010 0.505 6.632 1.00 22.10 C ATOM 441 CD LYS A 33 -5.907 1.151 5.830 1.00 52.45 C ATOM 442 CE LYS A 33 -4.736 1.389 6.801 1.00 63.43 C ATOM 443 NZ LYS A 33 -4.997 2.551 7.696 1.00 44.03 N ATOM 0 H LYS A 33 -7.161 -3.262 5.489 1.00 50.05 H new ATOM 0 HA LYS A 33 -5.071 -1.259 5.838 1.00 61.52 H new ATOM 0 HB2 LYS A 33 -7.703 -1.131 5.433 1.00 5.43 H new ATOM 0 HB3 LYS A 33 -7.799 -1.417 7.160 1.00 5.43 H new ATOM 0 HG2 LYS A 33 -7.952 1.004 6.403 1.00 22.10 H new ATOM 0 HG3 LYS A 33 -6.815 0.663 7.693 1.00 22.10 H new ATOM 0 HD2 LYS A 33 -5.601 0.508 5.005 1.00 52.45 H new ATOM 0 HD3 LYS A 33 -6.245 2.091 5.394 1.00 52.45 H new ATOM 0 HE2 LYS A 33 -4.573 0.495 7.402 1.00 63.43 H new ATOM 0 HE3 LYS A 33 -3.821 1.563 6.234 1.00 63.43 H new ATOM 0 HZ1 LYS A 33 -4.102 2.875 8.114 1.00 44.03 H new ATOM 0 HZ2 LYS A 33 -5.422 3.324 7.146 1.00 44.03 H new ATOM 0 HZ3 LYS A 33 -5.650 2.266 8.454 1.00 44.03 H new ATOM 453 N ASP A 34 -5.637 -3.372 8.172 1.00 13.24 N ATOM 454 CA ASP A 34 -5.023 -3.905 9.386 1.00 33.14 C ATOM 455 C ASP A 34 -3.536 -4.211 9.159 1.00 24.54 C ATOM 456 O ASP A 34 -2.730 -4.102 10.085 1.00 31.23 O ATOM 457 CB ASP A 34 -5.760 -5.160 9.882 1.00 34.44 C ATOM 458 CG ASP A 34 -6.610 -4.873 11.114 1.00 21.31 C ATOM 459 OD1 ASP A 34 -7.491 -3.993 11.072 1.00 70.35 O ATOM 460 OD2 ASP A 34 -6.450 -5.547 12.156 1.00 4.31 O ATOM 0 H ASP A 34 -6.291 -4.014 7.724 1.00 13.24 H new ATOM 0 HA ASP A 34 -5.104 -3.140 10.158 1.00 33.14 H new ATOM 0 HB2 ASP A 34 -6.395 -5.546 9.085 1.00 34.44 H new ATOM 0 HB3 ASP A 34 -5.034 -5.938 10.116 1.00 34.44 H new ATOM 464 N HIS A 35 -3.150 -4.561 7.927 1.00 24.53 N ATOM 465 CA HIS A 35 -1.793 -4.934 7.550 1.00 41.41 C ATOM 466 C HIS A 35 -1.033 -3.707 7.032 1.00 3.04 C ATOM 467 O HIS A 35 0.059 -3.417 7.525 1.00 45.13 O ATOM 468 CB HIS A 35 -1.840 -6.079 6.519 1.00 22.21 C ATOM 469 CG HIS A 35 -0.747 -7.115 6.635 1.00 33.22 C ATOM 470 ND1 HIS A 35 0.617 -6.914 6.677 1.00 72.13 N ATOM 471 CD2 HIS A 35 -0.968 -8.465 6.714 1.00 30.41 C ATOM 472 CE1 HIS A 35 1.201 -8.120 6.786 1.00 34.40 C ATOM 473 NE2 HIS A 35 0.277 -9.100 6.819 1.00 2.41 N ATOM 0 H HIS A 35 -3.801 -4.592 7.142 1.00 24.53 H new ATOM 0 HA HIS A 35 -1.250 -5.299 8.421 1.00 41.41 H new ATOM 0 HB2 HIS A 35 -2.803 -6.583 6.608 1.00 22.21 H new ATOM 0 HB3 HIS A 35 -1.798 -5.645 5.520 1.00 22.21 H new ATOM 0 HD2 HIS A 35 -1.931 -8.953 6.698 1.00 30.41 H new ATOM 0 HE1 HIS A 35 2.267 -8.282 6.840 1.00 34.40 H new ATOM 0 HE2 HIS A 35 0.449 -10.102 6.903 1.00 2.41 H new ATOM 480 N MET A 36 -1.600 -2.965 6.072 1.00 5.21 N ATOM 481 CA MET A 36 -1.065 -1.783 5.399 1.00 74.25 C ATOM 482 C MET A 36 -1.247 -0.541 6.277 1.00 13.14 C ATOM 483 O MET A 36 -2.023 0.356 5.958 1.00 43.25 O ATOM 484 CB MET A 36 -1.783 -1.593 4.044 1.00 32.24 C ATOM 485 CG MET A 36 -1.011 -0.643 3.142 1.00 31.22 C ATOM 486 SD MET A 36 -1.705 -0.603 1.481 1.00 51.31 S ATOM 487 CE MET A 36 -0.191 -0.461 0.526 1.00 3.34 C ATOM 0 H MET A 36 -2.527 -3.201 5.718 1.00 5.21 H new ATOM 0 HA MET A 36 0.001 -1.923 5.223 1.00 74.25 H new ATOM 0 HB2 MET A 36 -1.894 -2.558 3.550 1.00 32.24 H new ATOM 0 HB3 MET A 36 -2.787 -1.203 4.213 1.00 32.24 H new ATOM 0 HG2 MET A 36 -1.027 0.360 3.569 1.00 31.22 H new ATOM 0 HG3 MET A 36 0.033 -0.952 3.094 1.00 31.22 H new ATOM 0 HE1 MET A 36 -0.429 -0.141 -0.488 1.00 3.34 H new ATOM 0 HE2 MET A 36 0.466 0.272 0.993 1.00 3.34 H new ATOM 0 HE3 MET A 36 0.310 -1.428 0.493 1.00 3.34 H new ATOM 495 N ARG A 37 -0.560 -0.472 7.412 1.00 50.02 N ATOM 496 CA ARG A 37 -0.662 0.634 8.353 1.00 54.45 C ATOM 497 C ARG A 37 0.659 0.977 9.045 1.00 34.51 C ATOM 498 O ARG A 37 0.692 1.934 9.810 1.00 44.15 O ATOM 499 CB ARG A 37 -1.809 0.320 9.324 1.00 72.13 C ATOM 500 CG ARG A 37 -1.883 -1.084 9.943 1.00 31.13 C ATOM 501 CD ARG A 37 -0.598 -1.583 10.592 1.00 50.31 C ATOM 502 NE ARG A 37 -0.082 -0.652 11.600 1.00 45.21 N ATOM 503 CZ ARG A 37 1.119 -0.732 12.175 1.00 62.24 C ATOM 504 NH1 ARG A 37 1.959 -1.718 11.872 1.00 52.14 N ATOM 505 NH2 ARG A 37 1.483 0.191 13.055 1.00 25.41 N ATOM 0 H ARG A 37 0.094 -1.196 7.708 1.00 50.02 H new ATOM 0 HA ARG A 37 -0.893 1.551 7.810 1.00 54.45 H new ATOM 0 HB2 ARG A 37 -1.758 1.040 10.141 1.00 72.13 H new ATOM 0 HB3 ARG A 37 -2.747 0.500 8.798 1.00 72.13 H new ATOM 0 HG2 ARG A 37 -2.674 -1.090 10.693 1.00 31.13 H new ATOM 0 HG3 ARG A 37 -2.175 -1.790 9.165 1.00 31.13 H new ATOM 0 HD2 ARG A 37 -0.781 -2.552 11.057 1.00 50.31 H new ATOM 0 HD3 ARG A 37 0.158 -1.737 9.822 1.00 50.31 H new ATOM 0 HE ARG A 37 -0.689 0.117 11.884 1.00 45.21 H new ATOM 0 HH11 ARG A 37 1.688 -2.427 11.191 1.00 52.14 H new ATOM 0 HH12 ARG A 37 2.874 -1.765 12.321 1.00 52.14 H new ATOM 0 HH21 ARG A 37 0.847 0.954 13.287 1.00 25.41 H new ATOM 0 HH22 ARG A 37 2.399 0.138 13.500 1.00 25.41 H new ATOM 516 N GLU A 38 1.751 0.249 8.782 1.00 65.15 N ATOM 517 CA GLU A 38 3.082 0.663 9.208 1.00 43.31 C ATOM 518 C GLU A 38 3.435 1.974 8.518 1.00 14.33 C ATOM 519 O GLU A 38 3.932 2.904 9.150 1.00 32.44 O ATOM 520 CB GLU A 38 4.153 -0.390 8.857 1.00 52.13 C ATOM 521 CG GLU A 38 5.349 -0.238 9.805 1.00 14.14 C ATOM 522 CD GLU A 38 6.694 -0.619 9.182 1.00 35.20 C ATOM 523 OE1 GLU A 38 7.053 -1.820 9.229 1.00 53.05 O ATOM 524 OE2 GLU A 38 7.409 0.298 8.710 1.00 35.44 O ATOM 0 H GLU A 38 1.732 -0.634 8.273 1.00 65.15 H new ATOM 0 HA GLU A 38 3.068 0.781 10.292 1.00 43.31 H new ATOM 0 HB2 GLU A 38 3.734 -1.393 8.941 1.00 52.13 H new ATOM 0 HB3 GLU A 38 4.476 -0.265 7.824 1.00 52.13 H new ATOM 0 HG2 GLU A 38 5.399 0.796 10.146 1.00 14.14 H new ATOM 0 HG3 GLU A 38 5.181 -0.857 10.686 1.00 14.14 H new ATOM 529 N ALA A 39 3.144 2.002 7.216 1.00 70.21 N ATOM 530 CA ALA A 39 3.497 3.023 6.243 1.00 11.30 C ATOM 531 C ALA A 39 2.687 4.316 6.365 1.00 10.22 C ATOM 532 O ALA A 39 2.696 5.130 5.441 1.00 54.14 O ATOM 533 CB ALA A 39 3.403 2.426 4.835 1.00 53.03 C ATOM 0 H ALA A 39 2.611 1.246 6.785 1.00 70.21 H new ATOM 0 HA ALA A 39 4.523 3.327 6.452 1.00 11.30 H new ATOM 0 HB1 ALA A 39 3.666 3.186 4.099 1.00 53.03 H new ATOM 0 HB2 ALA A 39 4.091 1.585 4.750 1.00 53.03 H new ATOM 0 HB3 ALA A 39 2.385 2.082 4.653 1.00 53.03 H new ATOM 539 N GLY A 40 2.021 4.526 7.491 1.00 44.12 N ATOM 540 CA GLY A 40 1.524 5.839 7.878 1.00 62.45 C ATOM 541 C GLY A 40 0.026 5.945 7.666 1.00 64.13 C ATOM 542 O GLY A 40 -0.707 4.975 7.880 1.00 5.23 O ATOM 0 H GLY A 40 1.809 3.789 8.164 1.00 44.12 H new ATOM 0 HA2 GLY A 40 1.759 6.025 8.926 1.00 62.45 H new ATOM 0 HA3 GLY A 40 2.031 6.608 7.296 1.00 62.45 H new ATOM 546 N ASP A 41 -0.448 7.144 7.337 1.00 31.42 N ATOM 547 CA ASP A 41 -1.872 7.422 7.238 1.00 71.52 C ATOM 548 C ASP A 41 -2.402 6.927 5.891 1.00 42.45 C ATOM 549 O ASP A 41 -2.239 7.572 4.849 1.00 44.13 O ATOM 550 CB ASP A 41 -2.195 8.902 7.513 1.00 10.02 C ATOM 551 CG ASP A 41 -2.315 9.236 9.004 1.00 22.30 C ATOM 552 OD1 ASP A 41 -2.951 8.437 9.737 1.00 74.31 O ATOM 553 OD2 ASP A 41 -1.806 10.293 9.445 1.00 25.12 O ATOM 0 H ASP A 41 0.146 7.947 7.132 1.00 31.42 H new ATOM 0 HA ASP A 41 -2.394 6.871 8.020 1.00 71.52 H new ATOM 0 HB2 ASP A 41 -1.416 9.524 7.071 1.00 10.02 H new ATOM 0 HB3 ASP A 41 -3.130 9.160 7.015 1.00 10.02 H new ATOM 557 N VAL A 42 -3.034 5.750 5.907 1.00 72.21 N ATOM 558 CA VAL A 42 -3.754 5.191 4.777 1.00 21.20 C ATOM 559 C VAL A 42 -5.225 5.513 5.028 1.00 5.40 C ATOM 560 O VAL A 42 -5.882 4.822 5.816 1.00 53.14 O ATOM 561 CB VAL A 42 -3.490 3.685 4.710 1.00 53.14 C ATOM 562 CG1 VAL A 42 -4.122 3.012 3.503 1.00 31.41 C ATOM 563 CG2 VAL A 42 -2.000 3.343 4.760 1.00 31.51 C ATOM 0 H VAL A 42 -3.055 5.150 6.731 1.00 72.21 H new ATOM 0 HA VAL A 42 -3.439 5.605 3.819 1.00 21.20 H new ATOM 0 HB VAL A 42 -3.971 3.289 5.605 1.00 53.14 H new ATOM 0 HG11 VAL A 42 -3.894 1.946 3.520 1.00 31.41 H new ATOM 0 HG12 VAL A 42 -5.202 3.153 3.532 1.00 31.41 H new ATOM 0 HG13 VAL A 42 -3.723 3.454 2.590 1.00 31.41 H new ATOM 0 HG21 VAL A 42 -1.873 2.262 4.709 1.00 31.51 H new ATOM 0 HG22 VAL A 42 -1.491 3.808 3.916 1.00 31.51 H new ATOM 0 HG23 VAL A 42 -1.572 3.715 5.691 1.00 31.51 H new ATOM 573 N CYS A 43 -5.708 6.602 4.427 1.00 23.50 N ATOM 574 CA CYS A 43 -7.054 7.103 4.672 1.00 71.31 C ATOM 575 C CYS A 43 -8.123 6.248 3.975 1.00 63.12 C ATOM 576 O CYS A 43 -9.279 6.258 4.408 1.00 30.14 O ATOM 577 CB CYS A 43 -7.142 8.556 4.189 1.00 22.33 C ATOM 578 SG CYS A 43 -8.430 9.446 5.098 1.00 50.24 S ATOM 0 H CYS A 43 -5.175 7.158 3.758 1.00 23.50 H new ATOM 0 HA CYS A 43 -7.249 7.049 5.743 1.00 71.31 H new ATOM 0 HB2 CYS A 43 -6.181 9.051 4.329 1.00 22.33 H new ATOM 0 HB3 CYS A 43 -7.360 8.578 3.121 1.00 22.33 H new ATOM 0 HG CYS A 43 -8.488 10.675 4.677 1.00 50.24 H new ATOM 583 N TYR A 44 -7.763 5.514 2.919 1.00 63.35 N ATOM 584 CA TYR A 44 -8.675 4.806 2.028 1.00 22.33 C ATOM 585 C TYR A 44 -8.291 3.329 1.974 1.00 22.54 C ATOM 586 O TYR A 44 -7.114 3.006 2.095 1.00 71.51 O ATOM 587 CB TYR A 44 -8.544 5.448 0.648 1.00 30.54 C ATOM 588 CG TYR A 44 -9.517 4.939 -0.393 1.00 63.51 C ATOM 589 CD1 TYR A 44 -10.788 5.526 -0.506 1.00 25.33 C ATOM 590 CD2 TYR A 44 -9.146 3.887 -1.251 1.00 22.51 C ATOM 591 CE1 TYR A 44 -11.675 5.084 -1.503 1.00 31.14 C ATOM 592 CE2 TYR A 44 -10.036 3.416 -2.229 1.00 54.24 C ATOM 593 CZ TYR A 44 -11.303 4.028 -2.365 1.00 11.24 C ATOM 594 OH TYR A 44 -12.141 3.681 -3.373 1.00 74.03 O ATOM 0 H TYR A 44 -6.785 5.394 2.654 1.00 63.35 H new ATOM 0 HA TYR A 44 -9.705 4.872 2.379 1.00 22.33 H new ATOM 0 HB2 TYR A 44 -8.677 6.525 0.751 1.00 30.54 H new ATOM 0 HB3 TYR A 44 -7.529 5.286 0.284 1.00 30.54 H new ATOM 0 HD1 TYR A 44 -11.083 6.314 0.171 1.00 25.33 H new ATOM 0 HD2 TYR A 44 -8.168 3.438 -1.156 1.00 22.51 H new ATOM 0 HE1 TYR A 44 -12.642 5.552 -1.610 1.00 31.14 H new ATOM 0 HE2 TYR A 44 -9.756 2.594 -2.871 1.00 54.24 H new ATOM 0 HH TYR A 44 -11.751 2.940 -3.882 1.00 74.03 H new ATOM 603 N ALA A 45 -9.243 2.414 1.764 1.00 2.02 N ATOM 604 CA ALA A 45 -8.946 0.992 1.621 1.00 54.04 C ATOM 605 C ALA A 45 -10.037 0.336 0.772 1.00 70.13 C ATOM 606 O ALA A 45 -11.214 0.506 1.096 1.00 22.23 O ATOM 607 CB ALA A 45 -8.884 0.333 3.014 1.00 5.24 C ATOM 0 H ALA A 45 -10.235 2.640 1.689 1.00 2.02 H new ATOM 0 HA ALA A 45 -7.982 0.862 1.130 1.00 54.04 H new ATOM 0 HB1 ALA A 45 -8.662 -0.729 2.905 1.00 5.24 H new ATOM 0 HB2 ALA A 45 -8.102 0.808 3.607 1.00 5.24 H new ATOM 0 HB3 ALA A 45 -9.844 0.453 3.516 1.00 5.24 H new ATOM 613 N ASP A 46 -9.683 -0.431 -0.262 1.00 43.43 N ATOM 614 CA ASP A 46 -10.629 -1.282 -0.987 1.00 10.32 C ATOM 615 C ASP A 46 -9.915 -2.520 -1.543 1.00 44.01 C ATOM 616 O ASP A 46 -8.731 -2.456 -1.883 1.00 34.15 O ATOM 617 CB ASP A 46 -11.278 -0.510 -2.136 1.00 61.33 C ATOM 618 CG ASP A 46 -12.384 -1.361 -2.749 1.00 11.35 C ATOM 619 OD1 ASP A 46 -13.288 -1.760 -1.979 1.00 50.13 O ATOM 620 OD2 ASP A 46 -12.386 -1.583 -3.978 1.00 42.42 O ATOM 0 H ASP A 46 -8.729 -0.479 -0.621 1.00 43.43 H new ATOM 0 HA ASP A 46 -11.404 -1.597 -0.288 1.00 10.32 H new ATOM 0 HB2 ASP A 46 -11.687 0.432 -1.772 1.00 61.33 H new ATOM 0 HB3 ASP A 46 -10.532 -0.263 -2.891 1.00 61.33 H new ATOM 624 N VAL A 47 -10.607 -3.657 -1.625 1.00 64.24 N ATOM 625 CA VAL A 47 -10.124 -4.903 -2.222 1.00 24.24 C ATOM 626 C VAL A 47 -11.341 -5.566 -2.872 1.00 45.04 C ATOM 627 O VAL A 47 -12.473 -5.401 -2.410 1.00 62.44 O ATOM 628 CB VAL A 47 -9.469 -5.825 -1.161 1.00 63.11 C ATOM 629 CG1 VAL A 47 -9.029 -7.182 -1.732 1.00 31.44 C ATOM 630 CG2 VAL A 47 -8.216 -5.228 -0.506 1.00 14.04 C ATOM 0 H VAL A 47 -11.557 -3.738 -1.263 1.00 64.24 H new ATOM 0 HA VAL A 47 -9.346 -4.708 -2.961 1.00 24.24 H new ATOM 0 HB VAL A 47 -10.265 -5.942 -0.425 1.00 63.11 H new ATOM 0 HG11 VAL A 47 -8.578 -7.781 -0.941 1.00 31.44 H new ATOM 0 HG12 VAL A 47 -9.896 -7.706 -2.134 1.00 31.44 H new ATOM 0 HG13 VAL A 47 -8.300 -7.023 -2.527 1.00 31.44 H new ATOM 0 HG21 VAL A 47 -7.816 -5.932 0.224 1.00 14.04 H new ATOM 0 HG22 VAL A 47 -7.464 -5.032 -1.270 1.00 14.04 H new ATOM 0 HG23 VAL A 47 -8.476 -4.295 -0.005 1.00 14.04 H new ATOM 640 N TYR A 48 -11.091 -6.344 -3.921 1.00 21.55 N ATOM 641 CA TYR A 48 -12.066 -7.060 -4.729 1.00 50.11 C ATOM 642 C TYR A 48 -11.517 -8.444 -5.069 1.00 24.15 C ATOM 643 O TYR A 48 -10.331 -8.672 -4.856 1.00 34.54 O ATOM 644 CB TYR A 48 -12.366 -6.221 -5.981 1.00 65.14 C ATOM 645 CG TYR A 48 -11.193 -5.501 -6.642 1.00 53.14 C ATOM 646 CD1 TYR A 48 -9.972 -6.157 -6.909 1.00 33.24 C ATOM 647 CD2 TYR A 48 -11.318 -4.137 -6.977 1.00 73.31 C ATOM 648 CE1 TYR A 48 -8.926 -5.464 -7.535 1.00 10.15 C ATOM 649 CE2 TYR A 48 -10.253 -3.435 -7.571 1.00 4.04 C ATOM 650 CZ TYR A 48 -9.040 -4.096 -7.846 1.00 64.14 C ATOM 651 OH TYR A 48 -7.981 -3.447 -8.405 1.00 21.42 O ATOM 0 H TYR A 48 -10.138 -6.500 -4.249 1.00 21.55 H new ATOM 0 HA TYR A 48 -13.001 -7.208 -4.189 1.00 50.11 H new ATOM 0 HB2 TYR A 48 -12.821 -6.876 -6.724 1.00 65.14 H new ATOM 0 HB3 TYR A 48 -13.113 -5.473 -5.714 1.00 65.14 H new ATOM 0 HD1 TYR A 48 -9.843 -7.193 -6.631 1.00 33.24 H new ATOM 0 HD2 TYR A 48 -12.246 -3.623 -6.774 1.00 73.31 H new ATOM 0 HE1 TYR A 48 -8.016 -5.990 -7.783 1.00 10.15 H new ATOM 0 HE2 TYR A 48 -10.366 -2.389 -7.816 1.00 4.04 H new ATOM 0 HH TYR A 48 -8.218 -2.509 -8.561 1.00 21.42 H new ATOM 660 N ARG A 49 -12.360 -9.334 -5.608 1.00 65.42 N ATOM 661 CA ARG A 49 -12.076 -10.584 -6.325 1.00 4.41 C ATOM 662 C ARG A 49 -10.974 -11.403 -5.664 1.00 54.32 C ATOM 663 O ARG A 49 -11.253 -12.234 -4.798 1.00 1.14 O ATOM 664 CB ARG A 49 -11.870 -10.373 -7.839 1.00 64.11 C ATOM 665 CG ARG A 49 -11.071 -9.125 -8.235 1.00 50.32 C ATOM 666 CD ARG A 49 -10.752 -9.109 -9.718 1.00 14.43 C ATOM 667 NE ARG A 49 -9.693 -10.064 -10.084 1.00 61.23 N ATOM 668 CZ ARG A 49 -9.558 -10.599 -11.304 1.00 45.03 C ATOM 669 NH1 ARG A 49 -10.347 -10.205 -12.297 1.00 3.03 N ATOM 670 NH2 ARG A 49 -8.636 -11.519 -11.544 1.00 43.14 N ATOM 0 H ARG A 49 -13.366 -9.179 -5.546 1.00 65.42 H new ATOM 0 HA ARG A 49 -12.975 -11.195 -6.244 1.00 4.41 H new ATOM 0 HB2 ARG A 49 -11.364 -11.249 -8.244 1.00 64.11 H new ATOM 0 HB3 ARG A 49 -12.849 -10.322 -8.316 1.00 64.11 H new ATOM 0 HG2 ARG A 49 -11.639 -8.232 -7.976 1.00 50.32 H new ATOM 0 HG3 ARG A 49 -10.144 -9.090 -7.663 1.00 50.32 H new ATOM 0 HD2 ARG A 49 -11.655 -9.342 -10.282 1.00 14.43 H new ATOM 0 HD3 ARG A 49 -10.445 -8.104 -10.008 1.00 14.43 H new ATOM 0 HE ARG A 49 -9.022 -10.334 -9.365 1.00 61.23 H new ATOM 0 HH11 ARG A 49 -11.058 -9.493 -12.131 1.00 3.03 H new ATOM 0 HH12 ARG A 49 -10.242 -10.614 -13.225 1.00 3.03 H new ATOM 0 HH21 ARG A 49 -8.017 -11.829 -10.794 1.00 43.14 H new ATOM 0 HH22 ARG A 49 -8.545 -11.918 -12.478 1.00 43.14 H new ATOM 681 N ASP A 50 -9.746 -11.083 -6.055 1.00 34.23 N ATOM 682 CA ASP A 50 -8.448 -11.340 -5.496 1.00 43.20 C ATOM 683 C ASP A 50 -7.410 -10.675 -6.403 1.00 65.11 C ATOM 684 O ASP A 50 -7.754 -10.003 -7.388 1.00 30.13 O ATOM 685 CB ASP A 50 -8.150 -12.839 -5.374 1.00 65.33 C ATOM 686 CG ASP A 50 -7.692 -13.475 -6.689 1.00 74.40 C ATOM 687 OD1 ASP A 50 -8.546 -13.679 -7.582 1.00 31.45 O ATOM 688 OD2 ASP A 50 -6.486 -13.777 -6.828 1.00 30.43 O ATOM 0 H ASP A 50 -9.638 -10.548 -6.917 1.00 34.23 H new ATOM 0 HA ASP A 50 -8.413 -10.932 -4.486 1.00 43.20 H new ATOM 0 HB2 ASP A 50 -7.379 -12.989 -4.618 1.00 65.33 H new ATOM 0 HB3 ASP A 50 -9.045 -13.353 -5.022 1.00 65.33 H new ATOM 692 N GLY A 51 -6.132 -10.858 -6.080 1.00 30.11 N ATOM 693 CA GLY A 51 -5.034 -10.613 -6.993 1.00 23.22 C ATOM 694 C GLY A 51 -4.607 -9.159 -7.047 1.00 71.33 C ATOM 695 O GLY A 51 -3.446 -8.885 -7.347 1.00 4.24 O ATOM 0 H GLY A 51 -5.833 -11.186 -5.162 1.00 30.11 H new ATOM 0 HA2 GLY A 51 -4.181 -11.223 -6.696 1.00 23.22 H new ATOM 0 HA3 GLY A 51 -5.324 -10.936 -7.993 1.00 23.22 H new ATOM 699 N THR A 52 -5.487 -8.220 -6.719 1.00 11.12 N ATOM 700 CA THR A 52 -5.193 -6.798 -6.699 1.00 4.11 C ATOM 701 C THR A 52 -6.104 -6.123 -5.668 1.00 43.44 C ATOM 702 O THR A 52 -7.078 -6.719 -5.213 1.00 61.14 O ATOM 703 CB THR A 52 -5.320 -6.184 -8.116 1.00 5.43 C ATOM 704 OG1 THR A 52 -5.901 -7.068 -9.065 1.00 61.10 O ATOM 705 CG2 THR A 52 -3.976 -5.760 -8.707 1.00 50.11 C ATOM 0 H THR A 52 -6.448 -8.435 -6.453 1.00 11.12 H new ATOM 0 HA THR A 52 -4.159 -6.630 -6.398 1.00 4.11 H new ATOM 0 HB THR A 52 -5.964 -5.320 -7.953 1.00 5.43 H new ATOM 0 HG1 THR A 52 -5.955 -6.623 -9.936 1.00 61.10 H new ATOM 0 HG21 THR A 52 -4.132 -5.338 -9.700 1.00 50.11 H new ATOM 0 HG22 THR A 52 -3.515 -5.011 -8.063 1.00 50.11 H new ATOM 0 HG23 THR A 52 -3.321 -6.628 -8.781 1.00 50.11 H new ATOM 713 N GLY A 53 -5.776 -4.893 -5.292 1.00 73.12 N ATOM 714 CA GLY A 53 -6.468 -4.109 -4.283 1.00 44.04 C ATOM 715 C GLY A 53 -6.064 -2.655 -4.491 1.00 61.53 C ATOM 716 O GLY A 53 -4.900 -2.403 -4.811 1.00 51.04 O ATOM 0 H GLY A 53 -4.985 -4.395 -5.701 1.00 73.12 H new ATOM 0 HA2 GLY A 53 -7.548 -4.226 -4.378 1.00 44.04 H new ATOM 0 HA3 GLY A 53 -6.197 -4.445 -3.282 1.00 44.04 H new ATOM 720 N VAL A 54 -6.988 -1.706 -4.349 1.00 61.50 N ATOM 721 CA VAL A 54 -6.742 -0.292 -4.612 1.00 70.11 C ATOM 722 C VAL A 54 -6.791 0.451 -3.282 1.00 14.31 C ATOM 723 O VAL A 54 -7.632 0.178 -2.426 1.00 62.52 O ATOM 724 CB VAL A 54 -7.699 0.215 -5.713 1.00 65.53 C ATOM 725 CG1 VAL A 54 -9.189 0.092 -5.374 1.00 32.14 C ATOM 726 CG2 VAL A 54 -7.394 1.664 -6.119 1.00 21.11 C ATOM 0 H VAL A 54 -7.941 -1.902 -4.044 1.00 61.50 H new ATOM 0 HA VAL A 54 -5.750 -0.107 -5.023 1.00 70.11 H new ATOM 0 HB VAL A 54 -7.507 -0.455 -6.551 1.00 65.53 H new ATOM 0 HG11 VAL A 54 -9.784 0.472 -6.205 1.00 32.14 H new ATOM 0 HG12 VAL A 54 -9.437 -0.955 -5.199 1.00 32.14 H new ATOM 0 HG13 VAL A 54 -9.407 0.671 -4.477 1.00 32.14 H new ATOM 0 HG21 VAL A 54 -8.091 1.979 -6.895 1.00 21.11 H new ATOM 0 HG22 VAL A 54 -7.499 2.315 -5.251 1.00 21.11 H new ATOM 0 HG23 VAL A 54 -6.374 1.728 -6.499 1.00 21.11 H new ATOM 736 N VAL A 55 -5.828 1.342 -3.054 1.00 23.14 N ATOM 737 CA VAL A 55 -5.647 2.005 -1.774 1.00 12.15 C ATOM 738 C VAL A 55 -5.291 3.455 -2.098 1.00 4.21 C ATOM 739 O VAL A 55 -4.892 3.787 -3.217 1.00 2.43 O ATOM 740 CB VAL A 55 -4.557 1.272 -0.948 1.00 11.44 C ATOM 741 CG1 VAL A 55 -4.583 1.618 0.544 1.00 53.03 C ATOM 742 CG2 VAL A 55 -4.665 -0.255 -0.995 1.00 74.43 C ATOM 0 H VAL A 55 -5.149 1.623 -3.761 1.00 23.14 H new ATOM 0 HA VAL A 55 -6.543 1.983 -1.154 1.00 12.15 H new ATOM 0 HB VAL A 55 -3.640 1.619 -1.425 1.00 11.44 H new ATOM 0 HG11 VAL A 55 -3.794 1.069 1.059 1.00 53.03 H new ATOM 0 HG12 VAL A 55 -4.423 2.689 0.672 1.00 53.03 H new ATOM 0 HG13 VAL A 55 -5.550 1.343 0.965 1.00 53.03 H new ATOM 0 HG21 VAL A 55 -3.869 -0.695 -0.394 1.00 74.43 H new ATOM 0 HG22 VAL A 55 -5.632 -0.564 -0.598 1.00 74.43 H new ATOM 0 HG23 VAL A 55 -4.571 -0.595 -2.026 1.00 74.43 H new ATOM 752 N GLU A 56 -5.434 4.345 -1.132 1.00 2.32 N ATOM 753 CA GLU A 56 -4.947 5.699 -1.252 1.00 22.52 C ATOM 754 C GLU A 56 -4.448 6.073 0.137 1.00 34.54 C ATOM 755 O GLU A 56 -4.979 5.622 1.161 1.00 33.50 O ATOM 756 CB GLU A 56 -6.043 6.607 -1.827 1.00 4.21 C ATOM 757 CG GLU A 56 -5.483 7.898 -2.433 1.00 50.41 C ATOM 758 CD GLU A 56 -6.626 8.837 -2.808 1.00 62.43 C ATOM 759 OE1 GLU A 56 -7.240 9.424 -1.897 1.00 51.32 O ATOM 760 OE2 GLU A 56 -7.019 8.919 -4.000 1.00 3.44 O ATOM 0 H GLU A 56 -5.892 4.145 -0.243 1.00 2.32 H new ATOM 0 HA GLU A 56 -4.124 5.813 -1.958 1.00 22.52 H new ATOM 0 HB2 GLU A 56 -6.597 6.062 -2.591 1.00 4.21 H new ATOM 0 HB3 GLU A 56 -6.752 6.858 -1.038 1.00 4.21 H new ATOM 0 HG2 GLU A 56 -4.819 8.386 -1.719 1.00 50.41 H new ATOM 0 HG3 GLU A 56 -4.887 7.666 -3.316 1.00 50.41 H new ATOM 765 N PHE A 57 -3.326 6.770 0.138 1.00 53.44 N ATOM 766 CA PHE A 57 -2.635 7.258 1.303 1.00 50.24 C ATOM 767 C PHE A 57 -2.863 8.752 1.326 1.00 74.53 C ATOM 768 O PHE A 57 -3.222 9.362 0.321 1.00 13.24 O ATOM 769 CB PHE A 57 -1.136 6.949 1.203 1.00 34.30 C ATOM 770 CG PHE A 57 -0.707 5.549 1.595 1.00 14.32 C ATOM 771 CD1 PHE A 57 -1.360 4.407 1.100 1.00 3.03 C ATOM 772 CD2 PHE A 57 0.389 5.391 2.456 1.00 32.51 C ATOM 773 CE1 PHE A 57 -0.897 3.121 1.426 1.00 50.32 C ATOM 774 CE2 PHE A 57 0.869 4.111 2.763 1.00 64.32 C ATOM 775 CZ PHE A 57 0.236 2.970 2.244 1.00 31.40 C ATOM 0 H PHE A 57 -2.850 7.022 -0.729 1.00 53.44 H new ATOM 0 HA PHE A 57 -3.002 6.783 2.213 1.00 50.24 H new ATOM 0 HB2 PHE A 57 -0.818 7.128 0.176 1.00 34.30 H new ATOM 0 HB3 PHE A 57 -0.598 7.659 1.831 1.00 34.30 H new ATOM 0 HD1 PHE A 57 -2.225 4.519 0.463 1.00 3.03 H new ATOM 0 HD2 PHE A 57 0.865 6.260 2.884 1.00 32.51 H new ATOM 0 HE1 PHE A 57 -1.411 2.250 1.048 1.00 50.32 H new ATOM 0 HE2 PHE A 57 1.732 4.001 3.403 1.00 64.32 H new ATOM 0 HZ PHE A 57 0.616 1.985 2.471 1.00 31.40 H new ATOM 784 N VAL A 58 -2.596 9.356 2.468 1.00 43.45 N ATOM 785 CA VAL A 58 -2.917 10.756 2.649 1.00 12.43 C ATOM 786 C VAL A 58 -2.132 11.680 1.714 1.00 24.41 C ATOM 787 O VAL A 58 -2.710 12.624 1.168 1.00 11.00 O ATOM 788 CB VAL A 58 -2.755 11.090 4.139 1.00 30.21 C ATOM 789 CG1 VAL A 58 -2.709 12.592 4.363 1.00 65.23 C ATOM 790 CG2 VAL A 58 -3.938 10.514 4.916 1.00 22.44 C ATOM 0 H VAL A 58 -2.163 8.905 3.274 1.00 43.45 H new ATOM 0 HA VAL A 58 -3.952 10.936 2.360 1.00 12.43 H new ATOM 0 HB VAL A 58 -1.818 10.655 4.486 1.00 30.21 H new ATOM 0 HG11 VAL A 58 -2.594 12.798 5.427 1.00 65.23 H new ATOM 0 HG12 VAL A 58 -1.865 13.015 3.818 1.00 65.23 H new ATOM 0 HG13 VAL A 58 -3.635 13.042 4.005 1.00 65.23 H new ATOM 0 HG21 VAL A 58 -3.827 10.749 5.975 1.00 22.44 H new ATOM 0 HG22 VAL A 58 -4.865 10.949 4.543 1.00 22.44 H new ATOM 0 HG23 VAL A 58 -3.967 9.432 4.785 1.00 22.44 H new ATOM 800 N ARG A 59 -0.824 11.472 1.553 1.00 33.31 N ATOM 801 CA ARG A 59 0.013 12.388 0.783 1.00 5.11 C ATOM 802 C ARG A 59 1.083 11.602 0.051 1.00 74.52 C ATOM 803 O ARG A 59 1.330 10.434 0.351 1.00 31.40 O ATOM 804 CB ARG A 59 0.579 13.455 1.743 1.00 22.43 C ATOM 805 CG ARG A 59 1.103 14.718 1.034 1.00 43.01 C ATOM 806 CD ARG A 59 1.295 15.908 1.992 1.00 51.11 C ATOM 807 NE ARG A 59 0.033 16.327 2.626 1.00 51.03 N ATOM 808 CZ ARG A 59 -1.006 16.918 2.025 1.00 1.32 C ATOM 809 NH1 ARG A 59 -0.903 17.371 0.781 1.00 51.13 N ATOM 810 NH2 ARG A 59 -2.164 17.034 2.664 1.00 25.02 N ATOM 0 H ARG A 59 -0.323 10.676 1.947 1.00 33.31 H new ATOM 0 HA ARG A 59 -0.561 12.910 0.017 1.00 5.11 H new ATOM 0 HB2 ARG A 59 -0.199 13.743 2.449 1.00 22.43 H new ATOM 0 HB3 ARG A 59 1.389 13.014 2.324 1.00 22.43 H new ATOM 0 HG2 ARG A 59 2.053 14.490 0.552 1.00 43.01 H new ATOM 0 HG3 ARG A 59 0.406 15.002 0.246 1.00 43.01 H new ATOM 0 HD2 ARG A 59 2.014 15.637 2.765 1.00 51.11 H new ATOM 0 HD3 ARG A 59 1.719 16.749 1.443 1.00 51.11 H new ATOM 0 HE ARG A 59 -0.058 16.148 3.626 1.00 51.03 H new ATOM 0 HH11 ARG A 59 -0.024 17.270 0.273 1.00 51.13 H new ATOM 0 HH12 ARG A 59 -1.702 17.820 0.334 1.00 51.13 H new ATOM 0 HH21 ARG A 59 -2.261 16.673 3.613 1.00 25.02 H new ATOM 0 HH22 ARG A 59 -2.956 17.485 2.206 1.00 25.02 H new ATOM 821 N LYS A 60 1.773 12.262 -0.885 1.00 33.55 N ATOM 822 CA LYS A 60 2.950 11.702 -1.546 1.00 33.33 C ATOM 823 C LYS A 60 3.987 11.281 -0.508 1.00 4.12 C ATOM 824 O LYS A 60 4.745 10.363 -0.788 1.00 12.22 O ATOM 825 CB LYS A 60 3.541 12.739 -2.536 1.00 10.04 C ATOM 826 CG LYS A 60 4.728 12.252 -3.402 1.00 4.13 C ATOM 827 CD LYS A 60 4.357 11.868 -4.842 1.00 14.12 C ATOM 828 CE LYS A 60 5.471 11.001 -5.441 1.00 42.01 C ATOM 829 NZ LYS A 60 5.199 10.574 -6.829 1.00 22.11 N ATOM 0 H LYS A 60 1.529 13.200 -1.204 1.00 33.55 H new ATOM 0 HA LYS A 60 2.659 10.816 -2.110 1.00 33.33 H new ATOM 0 HB2 LYS A 60 2.744 13.071 -3.201 1.00 10.04 H new ATOM 0 HB3 LYS A 60 3.866 13.610 -1.967 1.00 10.04 H new ATOM 0 HG2 LYS A 60 5.484 13.037 -3.433 1.00 4.13 H new ATOM 0 HG3 LYS A 60 5.184 11.389 -2.917 1.00 4.13 H new ATOM 0 HD2 LYS A 60 3.412 11.324 -4.853 1.00 14.12 H new ATOM 0 HD3 LYS A 60 4.216 12.765 -5.444 1.00 14.12 H new ATOM 0 HE2 LYS A 60 6.408 11.558 -5.417 1.00 42.01 H new ATOM 0 HE3 LYS A 60 5.609 10.118 -4.817 1.00 42.01 H new ATOM 0 HZ1 LYS A 60 5.989 9.992 -7.174 1.00 22.11 H new ATOM 0 HZ2 LYS A 60 4.321 10.017 -6.855 1.00 22.11 H new ATOM 0 HZ3 LYS A 60 5.095 11.412 -7.436 1.00 22.11 H new ATOM 839 N GLU A 61 4.034 11.930 0.654 1.00 62.54 N ATOM 840 CA GLU A 61 4.997 11.629 1.700 1.00 43.25 C ATOM 841 C GLU A 61 4.736 10.212 2.226 1.00 2.01 C ATOM 842 O GLU A 61 5.569 9.325 2.012 1.00 3.04 O ATOM 843 CB GLU A 61 4.968 12.739 2.772 1.00 65.35 C ATOM 844 CG GLU A 61 5.155 14.123 2.108 1.00 43.44 C ATOM 845 CD GLU A 61 5.866 15.173 2.964 1.00 1.44 C ATOM 846 OE1 GLU A 61 6.925 14.846 3.555 1.00 54.22 O ATOM 847 OE2 GLU A 61 5.464 16.359 2.921 1.00 63.11 O ATOM 0 H GLU A 61 3.395 12.688 0.894 1.00 62.54 H new ATOM 0 HA GLU A 61 6.018 11.626 1.319 1.00 43.25 H new ATOM 0 HB2 GLU A 61 4.021 12.710 3.311 1.00 65.35 H new ATOM 0 HB3 GLU A 61 5.757 12.569 3.505 1.00 65.35 H new ATOM 0 HG2 GLU A 61 5.718 13.990 1.184 1.00 43.44 H new ATOM 0 HG3 GLU A 61 4.174 14.509 1.831 1.00 43.44 H new ATOM 852 N ASP A 62 3.558 9.967 2.821 1.00 32.31 N ATOM 853 CA ASP A 62 3.211 8.650 3.356 1.00 21.10 C ATOM 854 C ASP A 62 3.273 7.601 2.246 1.00 74.34 C ATOM 855 O ASP A 62 3.827 6.518 2.432 1.00 3.44 O ATOM 856 CB ASP A 62 1.813 8.583 4.004 1.00 70.14 C ATOM 857 CG ASP A 62 1.526 9.619 5.085 1.00 41.24 C ATOM 858 OD1 ASP A 62 1.379 10.809 4.728 1.00 33.54 O ATOM 859 OD2 ASP A 62 1.379 9.235 6.271 1.00 31.51 O ATOM 0 H ASP A 62 2.829 10.671 2.942 1.00 32.31 H new ATOM 0 HA ASP A 62 3.943 8.452 4.138 1.00 21.10 H new ATOM 0 HB2 ASP A 62 1.065 8.690 3.218 1.00 70.14 H new ATOM 0 HB3 ASP A 62 1.682 7.591 4.436 1.00 70.14 H new ATOM 863 N MET A 63 2.739 7.933 1.065 1.00 4.00 N ATOM 864 CA MET A 63 2.753 7.053 -0.093 1.00 5.13 C ATOM 865 C MET A 63 4.180 6.649 -0.464 1.00 24.41 C ATOM 866 O MET A 63 4.442 5.459 -0.614 1.00 30.40 O ATOM 867 CB MET A 63 2.010 7.715 -1.258 1.00 53.14 C ATOM 868 CG MET A 63 1.958 6.803 -2.487 1.00 42.24 C ATOM 869 SD MET A 63 3.273 7.060 -3.704 1.00 52.14 S ATOM 870 CE MET A 63 2.704 8.635 -4.366 1.00 25.25 C ATOM 0 H MET A 63 2.283 8.829 0.892 1.00 4.00 H new ATOM 0 HA MET A 63 2.229 6.130 0.154 1.00 5.13 H new ATOM 0 HB2 MET A 63 0.996 7.966 -0.947 1.00 53.14 H new ATOM 0 HB3 MET A 63 2.504 8.651 -1.520 1.00 53.14 H new ATOM 0 HG2 MET A 63 1.995 5.767 -2.151 1.00 42.24 H new ATOM 0 HG3 MET A 63 0.997 6.943 -2.981 1.00 42.24 H new ATOM 0 HE1 MET A 63 3.035 8.736 -5.400 1.00 25.25 H new ATOM 0 HE2 MET A 63 1.615 8.674 -4.328 1.00 25.25 H new ATOM 0 HE3 MET A 63 3.117 9.450 -3.772 1.00 25.25 H new ATOM 878 N THR A 64 5.113 7.597 -0.592 1.00 70.12 N ATOM 879 CA THR A 64 6.494 7.252 -0.924 1.00 72.34 C ATOM 880 C THR A 64 7.102 6.322 0.130 1.00 4.00 C ATOM 881 O THR A 64 7.883 5.451 -0.243 1.00 43.22 O ATOM 882 CB THR A 64 7.377 8.495 -1.130 1.00 34.44 C ATOM 883 OG1 THR A 64 6.796 9.367 -2.080 1.00 52.41 O ATOM 884 CG2 THR A 64 8.774 8.128 -1.653 1.00 34.11 C ATOM 0 H THR A 64 4.939 8.595 -0.472 1.00 70.12 H new ATOM 0 HA THR A 64 6.462 6.721 -1.875 1.00 72.34 H new ATOM 0 HB THR A 64 7.461 8.973 -0.154 1.00 34.44 H new ATOM 0 HG1 THR A 64 5.917 9.660 -1.760 1.00 52.41 H new ATOM 0 HG21 THR A 64 9.363 9.035 -1.784 1.00 34.11 H new ATOM 0 HG22 THR A 64 9.270 7.473 -0.937 1.00 34.11 H new ATOM 0 HG23 THR A 64 8.681 7.615 -2.610 1.00 34.11 H new ATOM 892 N TYR A 65 6.789 6.462 1.427 1.00 2.40 N ATOM 893 CA TYR A 65 7.276 5.521 2.443 1.00 43.05 C ATOM 894 C TYR A 65 6.892 4.091 2.059 1.00 72.22 C ATOM 895 O TYR A 65 7.738 3.196 2.097 1.00 12.10 O ATOM 896 CB TYR A 65 6.742 5.885 3.836 1.00 25.43 C ATOM 897 CG TYR A 65 7.238 5.011 4.979 1.00 21.24 C ATOM 898 CD1 TYR A 65 6.712 3.718 5.165 1.00 44.03 C ATOM 899 CD2 TYR A 65 8.163 5.514 5.909 1.00 74.24 C ATOM 900 CE1 TYR A 65 7.102 2.931 6.264 1.00 62.35 C ATOM 901 CE2 TYR A 65 8.595 4.719 6.983 1.00 13.24 C ATOM 902 CZ TYR A 65 8.059 3.426 7.173 1.00 44.33 C ATOM 903 OH TYR A 65 8.490 2.656 8.211 1.00 34.11 O ATOM 0 H TYR A 65 6.205 7.213 1.794 1.00 2.40 H new ATOM 0 HA TYR A 65 8.363 5.587 2.485 1.00 43.05 H new ATOM 0 HB2 TYR A 65 7.011 6.919 4.050 1.00 25.43 H new ATOM 0 HB3 TYR A 65 5.653 5.838 3.812 1.00 25.43 H new ATOM 0 HD1 TYR A 65 6.000 3.325 4.455 1.00 44.03 H new ATOM 0 HD2 TYR A 65 8.544 6.518 5.797 1.00 74.24 H new ATOM 0 HE1 TYR A 65 6.670 1.952 6.411 1.00 62.35 H new ATOM 0 HE2 TYR A 65 9.340 5.098 7.667 1.00 13.24 H new ATOM 0 HH TYR A 65 7.834 1.950 8.389 1.00 34.11 H new ATOM 912 N ALA A 66 5.637 3.875 1.648 1.00 2.00 N ATOM 913 CA ALA A 66 5.110 2.551 1.350 1.00 71.41 C ATOM 914 C ALA A 66 6.018 1.785 0.383 1.00 53.35 C ATOM 915 O ALA A 66 6.356 0.626 0.629 1.00 54.01 O ATOM 916 CB ALA A 66 3.690 2.654 0.782 1.00 45.34 C ATOM 0 H ALA A 66 4.958 4.625 1.514 1.00 2.00 H new ATOM 0 HA ALA A 66 5.077 1.992 2.285 1.00 71.41 H new ATOM 0 HB1 ALA A 66 3.312 1.655 0.565 1.00 45.34 H new ATOM 0 HB2 ALA A 66 3.040 3.137 1.512 1.00 45.34 H new ATOM 0 HB3 ALA A 66 3.707 3.243 -0.135 1.00 45.34 H new ATOM 922 N VAL A 67 6.451 2.431 -0.700 1.00 4.13 N ATOM 923 CA VAL A 67 7.123 1.774 -1.817 1.00 4.13 C ATOM 924 C VAL A 67 8.568 1.385 -1.442 1.00 1.01 C ATOM 925 O VAL A 67 9.252 0.708 -2.215 1.00 53.33 O ATOM 926 CB VAL A 67 7.083 2.709 -3.050 1.00 51.43 C ATOM 927 CG1 VAL A 67 7.355 1.951 -4.360 1.00 1.45 C ATOM 928 CG2 VAL A 67 5.728 3.414 -3.246 1.00 12.44 C ATOM 0 H VAL A 67 6.343 3.437 -0.826 1.00 4.13 H new ATOM 0 HA VAL A 67 6.603 0.848 -2.062 1.00 4.13 H new ATOM 0 HB VAL A 67 7.861 3.443 -2.840 1.00 51.43 H new ATOM 0 HG11 VAL A 67 7.317 2.647 -5.198 1.00 1.45 H new ATOM 0 HG12 VAL A 67 8.342 1.490 -4.316 1.00 1.45 H new ATOM 0 HG13 VAL A 67 6.599 1.177 -4.496 1.00 1.45 H new ATOM 0 HG21 VAL A 67 5.774 4.052 -4.128 1.00 12.44 H new ATOM 0 HG22 VAL A 67 4.945 2.667 -3.379 1.00 12.44 H new ATOM 0 HG23 VAL A 67 5.504 4.022 -2.370 1.00 12.44 H new ATOM 938 N ARG A 68 9.062 1.807 -0.272 1.00 63.55 N ATOM 939 CA ARG A 68 10.430 1.562 0.192 1.00 22.50 C ATOM 940 C ARG A 68 10.496 0.859 1.552 1.00 44.31 C ATOM 941 O ARG A 68 11.599 0.544 2.005 1.00 52.41 O ATOM 942 CB ARG A 68 11.236 2.872 0.152 1.00 64.11 C ATOM 943 CG ARG A 68 10.639 3.973 1.028 1.00 1.31 C ATOM 944 CD ARG A 68 11.480 5.249 1.037 1.00 52.04 C ATOM 945 NE ARG A 68 10.627 6.436 1.221 1.00 35.10 N ATOM 946 CZ ARG A 68 11.029 7.649 1.628 1.00 60.13 C ATOM 947 NH1 ARG A 68 12.294 7.860 1.971 1.00 51.04 N ATOM 948 NH2 ARG A 68 10.156 8.651 1.680 1.00 42.01 N ATOM 0 H ARG A 68 8.506 2.342 0.395 1.00 63.55 H new ATOM 0 HA ARG A 68 10.893 0.855 -0.496 1.00 22.50 H new ATOM 0 HB2 ARG A 68 12.257 2.673 0.476 1.00 64.11 H new ATOM 0 HB3 ARG A 68 11.291 3.226 -0.878 1.00 64.11 H new ATOM 0 HG2 ARG A 68 9.635 4.208 0.673 1.00 1.31 H new ATOM 0 HG3 ARG A 68 10.538 3.603 2.048 1.00 1.31 H new ATOM 0 HD2 ARG A 68 12.218 5.198 1.838 1.00 52.04 H new ATOM 0 HD3 ARG A 68 12.031 5.333 0.100 1.00 52.04 H new ATOM 0 HE ARG A 68 9.633 6.324 1.019 1.00 35.10 H new ATOM 0 HH11 ARG A 68 12.969 7.096 1.926 1.00 51.04 H new ATOM 0 HH12 ARG A 68 12.591 8.786 2.279 1.00 51.04 H new ATOM 0 HH21 ARG A 68 9.185 8.495 1.411 1.00 42.01 H new ATOM 0 HH22 ARG A 68 10.458 9.575 1.989 1.00 42.01 H new ATOM 959 N LYS A 69 9.362 0.600 2.205 1.00 63.14 N ATOM 960 CA LYS A 69 9.304 0.021 3.551 1.00 43.24 C ATOM 961 C LYS A 69 8.145 -0.971 3.722 1.00 13.22 C ATOM 962 O LYS A 69 7.967 -1.471 4.831 1.00 21.52 O ATOM 963 CB LYS A 69 9.164 1.175 4.563 1.00 14.30 C ATOM 964 CG LYS A 69 10.469 1.834 5.045 1.00 61.44 C ATOM 965 CD LYS A 69 11.057 1.117 6.273 1.00 53.42 C ATOM 966 CE LYS A 69 11.900 2.090 7.107 1.00 12.12 C ATOM 967 NZ LYS A 69 12.125 1.596 8.481 1.00 43.21 N ATOM 0 H LYS A 69 8.442 0.789 1.808 1.00 63.14 H new ATOM 0 HA LYS A 69 10.220 -0.544 3.721 1.00 43.24 H new ATOM 0 HB2 LYS A 69 8.539 1.947 4.115 1.00 14.30 H new ATOM 0 HB3 LYS A 69 8.630 0.799 5.436 1.00 14.30 H new ATOM 0 HG2 LYS A 69 11.200 1.826 4.236 1.00 61.44 H new ATOM 0 HG3 LYS A 69 10.278 2.878 5.292 1.00 61.44 H new ATOM 0 HD2 LYS A 69 10.252 0.708 6.883 1.00 53.42 H new ATOM 0 HD3 LYS A 69 11.672 0.276 5.952 1.00 53.42 H new ATOM 0 HE2 LYS A 69 12.861 2.247 6.617 1.00 12.12 H new ATOM 0 HE3 LYS A 69 11.401 3.058 7.148 1.00 12.12 H new ATOM 0 HZ1 LYS A 69 12.699 2.285 9.008 1.00 43.21 H new ATOM 0 HZ2 LYS A 69 11.210 1.470 8.959 1.00 43.21 H new ATOM 0 HZ3 LYS A 69 12.625 0.685 8.445 1.00 43.21 H new ATOM 977 N LEU A 70 7.311 -1.209 2.705 1.00 23.20 N ATOM 978 CA LEU A 70 6.037 -1.918 2.865 1.00 40.15 C ATOM 979 C LEU A 70 5.668 -2.708 1.587 1.00 51.04 C ATOM 980 O LEU A 70 4.563 -3.231 1.477 1.00 34.23 O ATOM 981 CB LEU A 70 5.019 -0.858 3.373 1.00 41.02 C ATOM 982 CG LEU A 70 3.519 -1.175 3.527 1.00 63.35 C ATOM 983 CD1 LEU A 70 2.771 -0.861 2.225 1.00 10.33 C ATOM 984 CD2 LEU A 70 3.231 -2.526 4.183 1.00 45.43 C ATOM 0 H LEU A 70 7.500 -0.915 1.747 1.00 23.20 H new ATOM 0 HA LEU A 70 6.067 -2.716 3.607 1.00 40.15 H new ATOM 0 HB2 LEU A 70 5.372 -0.526 4.349 1.00 41.02 H new ATOM 0 HB3 LEU A 70 5.092 -0.004 2.700 1.00 41.02 H new ATOM 0 HG LEU A 70 3.094 -0.499 4.269 1.00 63.35 H new ATOM 0 HD11 LEU A 70 1.713 -1.090 2.349 1.00 10.33 H new ATOM 0 HD12 LEU A 70 2.888 0.196 1.984 1.00 10.33 H new ATOM 0 HD13 LEU A 70 3.180 -1.465 1.415 1.00 10.33 H new ATOM 0 HD21 LEU A 70 2.153 -2.673 4.255 1.00 45.43 H new ATOM 0 HD22 LEU A 70 3.667 -3.323 3.581 1.00 45.43 H new ATOM 0 HD23 LEU A 70 3.667 -2.546 5.182 1.00 45.43 H new ATOM 995 N ASP A 71 6.559 -2.856 0.596 1.00 1.31 N ATOM 996 CA ASP A 71 6.329 -3.741 -0.546 1.00 21.32 C ATOM 997 C ASP A 71 6.880 -5.145 -0.311 1.00 40.45 C ATOM 998 O ASP A 71 7.724 -5.364 0.557 1.00 13.31 O ATOM 999 CB ASP A 71 6.860 -3.123 -1.853 1.00 12.43 C ATOM 1000 CG ASP A 71 8.016 -3.838 -2.561 1.00 24.32 C ATOM 1001 OD1 ASP A 71 7.745 -4.775 -3.360 1.00 31.11 O ATOM 1002 OD2 ASP A 71 9.179 -3.414 -2.452 1.00 14.34 O ATOM 0 H ASP A 71 7.454 -2.367 0.567 1.00 1.31 H new ATOM 0 HA ASP A 71 5.250 -3.849 -0.653 1.00 21.32 H new ATOM 0 HB2 ASP A 71 6.028 -3.055 -2.554 1.00 12.43 H new ATOM 0 HB3 ASP A 71 7.179 -2.103 -1.637 1.00 12.43 H new ATOM 1006 N ASN A 72 6.419 -6.084 -1.141 1.00 61.31 N ATOM 1007 CA ASN A 72 6.903 -7.472 -1.245 1.00 64.41 C ATOM 1008 C ASN A 72 6.580 -8.339 -0.008 1.00 23.13 C ATOM 1009 O ASN A 72 7.169 -9.415 0.168 1.00 14.44 O ATOM 1010 CB ASN A 72 8.413 -7.492 -1.593 1.00 0.02 C ATOM 1011 CG ASN A 72 8.651 -8.133 -2.947 1.00 24.13 C ATOM 1012 OD1 ASN A 72 8.659 -9.356 -3.073 1.00 22.10 O ATOM 1013 ND2 ASN A 72 8.826 -7.326 -3.976 1.00 41.04 N ATOM 0 H ASN A 72 5.659 -5.892 -1.794 1.00 61.31 H new ATOM 0 HA ASN A 72 6.351 -7.937 -2.062 1.00 64.41 H new ATOM 0 HB2 ASN A 72 8.803 -6.474 -1.595 1.00 0.02 H new ATOM 0 HB3 ASN A 72 8.959 -8.041 -0.826 1.00 0.02 H new ATOM 0 HD21 ASN A 72 8.973 -7.713 -4.908 1.00 41.04 H new ATOM 0 HD22 ASN A 72 8.814 -6.315 -3.839 1.00 41.04 H new ATOM 1019 N THR A 73 5.701 -7.872 0.885 1.00 44.24 N ATOM 1020 CA THR A 73 5.430 -8.458 2.195 1.00 55.01 C ATOM 1021 C THR A 73 4.582 -9.740 2.073 1.00 2.21 C ATOM 1022 O THR A 73 3.956 -9.981 1.041 1.00 11.43 O ATOM 1023 CB THR A 73 4.799 -7.377 3.101 1.00 35.30 C ATOM 1024 OG1 THR A 73 3.488 -7.021 2.705 1.00 71.32 O ATOM 1025 CG2 THR A 73 5.620 -6.076 3.084 1.00 3.02 C ATOM 0 H THR A 73 5.138 -7.041 0.704 1.00 44.24 H new ATOM 0 HA THR A 73 6.359 -8.782 2.664 1.00 55.01 H new ATOM 0 HB THR A 73 4.781 -7.827 4.094 1.00 35.30 H new ATOM 0 HG1 THR A 73 3.137 -6.337 3.312 1.00 71.32 H new ATOM 0 HG21 THR A 73 5.147 -5.339 3.732 1.00 3.02 H new ATOM 0 HG22 THR A 73 6.630 -6.278 3.441 1.00 3.02 H new ATOM 0 HG23 THR A 73 5.666 -5.688 2.066 1.00 3.02 H new ATOM 1033 N LYS A 74 4.510 -10.575 3.115 1.00 23.34 N ATOM 1034 CA LYS A 74 3.515 -11.651 3.203 1.00 73.23 C ATOM 1035 C LYS A 74 2.154 -11.019 3.505 1.00 12.42 C ATOM 1036 O LYS A 74 2.094 -9.882 3.982 1.00 62.23 O ATOM 1037 CB LYS A 74 3.972 -12.659 4.276 1.00 43.43 C ATOM 1038 CG LYS A 74 3.104 -13.914 4.518 1.00 43.31 C ATOM 1039 CD LYS A 74 3.886 -15.226 4.372 1.00 64.34 C ATOM 1040 CE LYS A 74 4.016 -15.579 2.886 1.00 62.31 C ATOM 1041 NZ LYS A 74 4.836 -16.786 2.644 1.00 11.21 N ATOM 0 H LYS A 74 5.137 -10.525 3.918 1.00 23.34 H new ATOM 0 HA LYS A 74 3.420 -12.203 2.268 1.00 73.23 H new ATOM 0 HB2 LYS A 74 4.975 -12.994 4.012 1.00 43.43 H new ATOM 0 HB3 LYS A 74 4.054 -12.124 5.222 1.00 43.43 H new ATOM 0 HG2 LYS A 74 2.675 -13.864 5.519 1.00 43.31 H new ATOM 0 HG3 LYS A 74 2.272 -13.914 3.814 1.00 43.31 H new ATOM 0 HD2 LYS A 74 4.874 -15.125 4.821 1.00 64.34 H new ATOM 0 HD3 LYS A 74 3.375 -16.028 4.904 1.00 64.34 H new ATOM 0 HE2 LYS A 74 3.021 -15.733 2.467 1.00 62.31 H new ATOM 0 HE3 LYS A 74 4.458 -14.735 2.356 1.00 62.31 H new ATOM 0 HZ1 LYS A 74 4.886 -16.972 1.622 1.00 11.21 H new ATOM 0 HZ2 LYS A 74 5.795 -16.634 3.016 1.00 11.21 H new ATOM 0 HZ3 LYS A 74 4.404 -17.601 3.124 1.00 11.21 H new ATOM 1051 N PHE A 75 1.075 -11.765 3.281 1.00 41.21 N ATOM 1052 CA PHE A 75 -0.278 -11.414 3.675 1.00 73.43 C ATOM 1053 C PHE A 75 -1.063 -12.655 4.002 1.00 51.02 C ATOM 1054 O PHE A 75 -0.764 -13.717 3.483 1.00 11.00 O ATOM 1055 CB PHE A 75 -0.949 -10.658 2.520 1.00 24.22 C ATOM 1056 CG PHE A 75 -2.246 -9.976 2.875 1.00 41.14 C ATOM 1057 CD1 PHE A 75 -3.455 -10.689 2.816 1.00 24.13 C ATOM 1058 CD2 PHE A 75 -2.251 -8.625 3.261 1.00 25.42 C ATOM 1059 CE1 PHE A 75 -4.673 -10.060 3.095 1.00 21.40 C ATOM 1060 CE2 PHE A 75 -3.468 -7.991 3.549 1.00 64.33 C ATOM 1061 CZ PHE A 75 -4.684 -8.694 3.425 1.00 12.41 C ATOM 0 H PHE A 75 1.126 -12.664 2.802 1.00 41.21 H new ATOM 0 HA PHE A 75 -0.248 -10.782 4.563 1.00 73.43 H new ATOM 0 HB2 PHE A 75 -0.253 -9.909 2.143 1.00 24.22 H new ATOM 0 HB3 PHE A 75 -1.135 -11.359 1.706 1.00 24.22 H new ATOM 0 HD1 PHE A 75 -3.444 -11.736 2.552 1.00 24.13 H new ATOM 0 HD2 PHE A 75 -1.323 -8.078 3.335 1.00 25.42 H new ATOM 0 HE1 PHE A 75 -5.596 -10.619 3.057 1.00 21.40 H new ATOM 0 HE2 PHE A 75 -3.474 -6.959 3.867 1.00 64.33 H new ATOM 0 HZ PHE A 75 -5.622 -8.183 3.583 1.00 12.41 H new ATOM 1070 N ARG A 76 -2.035 -12.520 4.892 1.00 41.23 N ATOM 1071 CA ARG A 76 -2.658 -13.578 5.662 1.00 20.21 C ATOM 1072 C ARG A 76 -4.157 -13.283 5.663 1.00 10.34 C ATOM 1073 O ARG A 76 -4.536 -12.117 5.741 1.00 13.44 O ATOM 1074 CB ARG A 76 -1.981 -13.541 7.044 1.00 52.41 C ATOM 1075 CG ARG A 76 -2.802 -14.093 8.203 1.00 64.25 C ATOM 1076 CD ARG A 76 -1.905 -14.425 9.407 1.00 2.31 C ATOM 1077 NE ARG A 76 -2.506 -14.034 10.695 1.00 22.30 N ATOM 1078 CZ ARG A 76 -2.127 -14.475 11.900 1.00 42.41 C ATOM 1079 NH1 ARG A 76 -1.334 -15.534 12.029 1.00 74.21 N ATOM 1080 NH2 ARG A 76 -2.508 -13.808 12.980 1.00 33.12 N ATOM 0 H ARG A 76 -2.433 -11.606 5.107 1.00 41.23 H new ATOM 0 HA ARG A 76 -2.539 -14.588 5.270 1.00 20.21 H new ATOM 0 HB2 ARG A 76 -1.048 -14.102 6.985 1.00 52.41 H new ATOM 0 HB3 ARG A 76 -1.718 -12.508 7.270 1.00 52.41 H new ATOM 0 HG2 ARG A 76 -3.557 -13.364 8.498 1.00 64.25 H new ATOM 0 HG3 ARG A 76 -3.333 -14.990 7.883 1.00 64.25 H new ATOM 0 HD2 ARG A 76 -1.701 -15.496 9.417 1.00 2.31 H new ATOM 0 HD3 ARG A 76 -0.947 -13.919 9.290 1.00 2.31 H new ATOM 0 HE ARG A 76 -3.279 -13.369 10.665 1.00 22.30 H new ATOM 0 HH11 ARG A 76 -1.003 -16.027 11.200 1.00 74.21 H new ATOM 0 HH12 ARG A 76 -1.057 -15.854 12.957 1.00 74.21 H new ATOM 0 HH21 ARG A 76 -3.082 -12.970 12.886 1.00 33.12 H new ATOM 0 HH22 ARG A 76 -2.227 -14.132 13.905 1.00 33.12 H new ATOM 1091 N SER A 77 -4.974 -14.320 5.509 1.00 61.42 N ATOM 1092 CA SER A 77 -6.381 -14.203 5.170 1.00 50.04 C ATOM 1093 C SER A 77 -7.194 -15.281 5.879 1.00 65.12 C ATOM 1094 O SER A 77 -6.682 -16.358 6.199 1.00 63.23 O ATOM 1095 CB SER A 77 -6.492 -14.387 3.652 1.00 12.01 C ATOM 1096 OG SER A 77 -6.444 -13.121 3.051 1.00 73.33 O ATOM 0 H SER A 77 -4.665 -15.286 5.620 1.00 61.42 H new ATOM 0 HA SER A 77 -6.769 -13.233 5.482 1.00 50.04 H new ATOM 0 HB2 SER A 77 -5.679 -15.013 3.285 1.00 12.01 H new ATOM 0 HB3 SER A 77 -7.423 -14.893 3.398 1.00 12.01 H new ATOM 0 HG SER A 77 -7.345 -12.736 3.028 1.00 73.33 H new ATOM 1101 N HIS A 78 -8.487 -15.017 6.061 1.00 62.31 N ATOM 1102 CA HIS A 78 -9.464 -15.908 6.679 1.00 13.12 C ATOM 1103 C HIS A 78 -9.831 -17.114 5.795 1.00 63.22 C ATOM 1104 O HIS A 78 -10.984 -17.279 5.395 1.00 52.32 O ATOM 1105 CB HIS A 78 -10.708 -15.096 7.045 1.00 5.43 C ATOM 1106 CG HIS A 78 -10.617 -14.388 8.373 1.00 2.24 C ATOM 1107 ND1 HIS A 78 -9.998 -13.185 8.609 1.00 13.13 N ATOM 1108 CD2 HIS A 78 -11.127 -14.828 9.565 1.00 71.54 C ATOM 1109 CE1 HIS A 78 -10.106 -12.910 9.916 1.00 73.35 C ATOM 1110 NE2 HIS A 78 -10.814 -13.868 10.536 1.00 65.23 N ATOM 0 H HIS A 78 -8.900 -14.132 5.767 1.00 62.31 H new ATOM 0 HA HIS A 78 -9.012 -16.331 7.576 1.00 13.12 H new ATOM 0 HB2 HIS A 78 -10.888 -14.357 6.264 1.00 5.43 H new ATOM 0 HB3 HIS A 78 -11.571 -15.762 7.060 1.00 5.43 H new ATOM 0 HD2 HIS A 78 -11.671 -15.747 9.727 1.00 71.54 H new ATOM 0 HE1 HIS A 78 -9.684 -12.042 10.401 1.00 73.35 H new ATOM 0 HE2 HIS A 78 -11.073 -13.892 11.522 1.00 65.23 H new ATOM 1117 N GLU A 79 -8.848 -17.945 5.468 1.00 43.33 N ATOM 1118 CA GLU A 79 -8.970 -19.250 4.838 1.00 33.14 C ATOM 1119 C GLU A 79 -7.882 -20.212 5.343 1.00 74.55 C ATOM 1120 O GLU A 79 -7.917 -21.406 5.043 1.00 40.45 O ATOM 1121 CB GLU A 79 -8.933 -19.027 3.330 1.00 2.40 C ATOM 1122 CG GLU A 79 -10.316 -18.900 2.684 1.00 31.14 C ATOM 1123 CD GLU A 79 -11.284 -20.087 2.800 1.00 50.34 C ATOM 1124 OE1 GLU A 79 -10.892 -21.158 3.312 1.00 70.44 O ATOM 1125 OE2 GLU A 79 -12.459 -19.915 2.400 1.00 65.11 O ATOM 0 H GLU A 79 -7.874 -17.704 5.651 1.00 43.33 H new ATOM 0 HA GLU A 79 -9.912 -19.732 5.100 1.00 33.14 H new ATOM 0 HB2 GLU A 79 -8.361 -18.123 3.121 1.00 2.40 H new ATOM 0 HB3 GLU A 79 -8.400 -19.856 2.864 1.00 2.40 H new ATOM 0 HG2 GLU A 79 -10.806 -18.027 3.116 1.00 31.14 H new ATOM 0 HG3 GLU A 79 -10.170 -18.692 1.624 1.00 31.14 H new ATOM 1130 N GLY A 80 -6.972 -19.761 6.217 1.00 62.45 N ATOM 1131 CA GLY A 80 -5.910 -20.592 6.793 1.00 74.14 C ATOM 1132 C GLY A 80 -4.635 -20.533 5.982 1.00 55.04 C ATOM 1133 O GLY A 80 -3.743 -21.358 6.172 1.00 22.33 O ATOM 0 H GLY A 80 -6.954 -18.796 6.547 1.00 62.45 H new ATOM 0 HA2 GLY A 80 -5.706 -20.263 7.812 1.00 74.14 H new ATOM 0 HA3 GLY A 80 -6.252 -21.625 6.854 1.00 74.14 H new ATOM 1137 N GLU A 81 -4.541 -19.544 5.096 1.00 63.51 N ATOM 1138 CA GLU A 81 -3.480 -19.423 4.128 1.00 22.22 C ATOM 1139 C GLU A 81 -2.882 -18.027 4.134 1.00 60.45 C ATOM 1140 O GLU A 81 -3.379 -17.114 4.810 1.00 31.22 O ATOM 1141 CB GLU A 81 -4.003 -19.840 2.747 1.00 32.12 C ATOM 1142 CG GLU A 81 -5.234 -19.053 2.260 1.00 72.21 C ATOM 1143 CD GLU A 81 -5.617 -19.514 0.848 1.00 31.51 C ATOM 1144 OE1 GLU A 81 -5.017 -19.020 -0.137 1.00 53.03 O ATOM 1145 OE2 GLU A 81 -6.516 -20.381 0.726 1.00 72.54 O ATOM 0 H GLU A 81 -5.225 -18.789 5.039 1.00 63.51 H new ATOM 0 HA GLU A 81 -2.665 -20.095 4.396 1.00 22.22 H new ATOM 0 HB2 GLU A 81 -3.201 -19.720 2.019 1.00 32.12 H new ATOM 0 HB3 GLU A 81 -4.254 -20.900 2.774 1.00 32.12 H new ATOM 0 HG2 GLU A 81 -6.070 -19.207 2.943 1.00 72.21 H new ATOM 0 HG3 GLU A 81 -5.017 -17.985 2.258 1.00 72.21 H new ATOM 1150 N THR A 82 -1.786 -17.892 3.391 1.00 35.30 N ATOM 1151 CA THR A 82 -1.050 -16.649 3.228 1.00 74.24 C ATOM 1152 C THR A 82 -0.545 -16.579 1.781 1.00 34.44 C ATOM 1153 O THR A 82 -0.288 -17.617 1.168 1.00 72.24 O ATOM 1154 CB THR A 82 0.079 -16.507 4.288 1.00 52.24 C ATOM 1155 OG1 THR A 82 1.191 -17.343 3.996 1.00 52.13 O ATOM 1156 CG2 THR A 82 -0.363 -16.902 5.703 1.00 20.34 C ATOM 0 H THR A 82 -1.377 -18.669 2.872 1.00 35.30 H new ATOM 0 HA THR A 82 -1.703 -15.795 3.406 1.00 74.24 H new ATOM 0 HB THR A 82 0.341 -15.450 4.248 1.00 52.24 H new ATOM 0 HG1 THR A 82 1.723 -17.475 4.808 1.00 52.13 H new ATOM 0 HG21 THR A 82 0.472 -16.779 6.393 1.00 20.34 H new ATOM 0 HG22 THR A 82 -1.190 -16.265 6.017 1.00 20.34 H new ATOM 0 HG23 THR A 82 -0.686 -17.943 5.706 1.00 20.34 H new ATOM 1164 N ALA A 83 -0.334 -15.367 1.279 1.00 4.22 N ATOM 1165 CA ALA A 83 0.271 -15.041 -0.003 1.00 35.53 C ATOM 1166 C ALA A 83 1.531 -14.209 0.252 1.00 74.35 C ATOM 1167 O ALA A 83 1.799 -13.828 1.395 1.00 51.13 O ATOM 1168 CB ALA A 83 -0.754 -14.214 -0.784 1.00 41.43 C ATOM 0 H ALA A 83 -0.601 -14.529 1.796 1.00 4.22 H new ATOM 0 HA ALA A 83 0.544 -15.935 -0.563 1.00 35.53 H new ATOM 0 HB1 ALA A 83 -0.341 -13.946 -1.756 1.00 41.43 H new ATOM 0 HB2 ALA A 83 -1.663 -14.799 -0.925 1.00 41.43 H new ATOM 0 HB3 ALA A 83 -0.990 -13.307 -0.228 1.00 41.43 H new ATOM 1174 N TYR A 84 2.283 -13.846 -0.787 1.00 60.13 N ATOM 1175 CA TYR A 84 3.004 -12.592 -0.803 1.00 13.44 C ATOM 1176 C TYR A 84 2.184 -11.565 -1.583 1.00 21.13 C ATOM 1177 O TYR A 84 1.429 -11.900 -2.498 1.00 15.03 O ATOM 1178 CB TYR A 84 4.409 -12.769 -1.385 1.00 60.32 C ATOM 1179 CG TYR A 84 4.521 -12.624 -2.892 1.00 32.20 C ATOM 1180 CD1 TYR A 84 4.231 -13.724 -3.715 1.00 52.12 C ATOM 1181 CD2 TYR A 84 4.863 -11.384 -3.476 1.00 23.34 C ATOM 1182 CE1 TYR A 84 4.236 -13.583 -5.111 1.00 22.14 C ATOM 1183 CE2 TYR A 84 4.953 -11.261 -4.875 1.00 34.42 C ATOM 1184 CZ TYR A 84 4.627 -12.364 -5.701 1.00 12.45 C ATOM 1185 OH TYR A 84 4.662 -12.263 -7.057 1.00 40.11 O ATOM 0 H TYR A 84 2.403 -14.411 -1.627 1.00 60.13 H new ATOM 0 HA TYR A 84 3.140 -12.232 0.217 1.00 13.44 H new ATOM 0 HB2 TYR A 84 5.070 -12.039 -0.918 1.00 60.32 H new ATOM 0 HB3 TYR A 84 4.776 -13.756 -1.105 1.00 60.32 H new ATOM 0 HD1 TYR A 84 4.003 -14.682 -3.272 1.00 52.12 H new ATOM 0 HD2 TYR A 84 5.056 -10.528 -2.847 1.00 23.34 H new ATOM 0 HE1 TYR A 84 3.939 -14.412 -5.736 1.00 22.14 H new ATOM 0 HE2 TYR A 84 5.270 -10.328 -5.317 1.00 34.42 H new ATOM 0 HH TYR A 84 4.950 -11.361 -7.311 1.00 40.11 H new ATOM 1194 N ILE A 85 2.395 -10.299 -1.261 1.00 63.51 N ATOM 1195 CA ILE A 85 1.869 -9.145 -1.963 1.00 23.34 C ATOM 1196 C ILE A 85 3.034 -8.198 -2.206 1.00 22.22 C ATOM 1197 O ILE A 85 4.120 -8.393 -1.666 1.00 53.11 O ATOM 1198 CB ILE A 85 0.735 -8.481 -1.149 1.00 40.22 C ATOM 1199 CG1 ILE A 85 1.228 -7.955 0.223 1.00 34.21 C ATOM 1200 CG2 ILE A 85 -0.425 -9.479 -0.996 1.00 43.11 C ATOM 1201 CD1 ILE A 85 0.212 -7.063 0.945 1.00 75.53 C ATOM 0 H ILE A 85 2.969 -10.038 -0.459 1.00 63.51 H new ATOM 0 HA ILE A 85 1.426 -9.432 -2.917 1.00 23.34 H new ATOM 0 HB ILE A 85 0.382 -7.604 -1.692 1.00 40.22 H new ATOM 0 HG12 ILE A 85 1.470 -8.805 0.862 1.00 34.21 H new ATOM 0 HG13 ILE A 85 2.151 -7.394 0.076 1.00 34.21 H new ATOM 0 HG21 ILE A 85 -1.229 -9.017 -0.423 1.00 43.11 H new ATOM 0 HG22 ILE A 85 -0.797 -9.759 -1.982 1.00 43.11 H new ATOM 0 HG23 ILE A 85 -0.073 -10.369 -0.475 1.00 43.11 H new ATOM 0 HD11 ILE A 85 0.629 -6.734 1.897 1.00 75.53 H new ATOM 0 HD12 ILE A 85 -0.013 -6.193 0.327 1.00 75.53 H new ATOM 0 HD13 ILE A 85 -0.704 -7.626 1.125 1.00 75.53 H new ATOM 1212 N ARG A 86 2.838 -7.143 -2.983 1.00 71.52 N ATOM 1213 CA ARG A 86 3.640 -5.947 -2.915 1.00 13.13 C ATOM 1214 C ARG A 86 2.748 -4.742 -3.165 1.00 51.00 C ATOM 1215 O ARG A 86 1.648 -4.900 -3.704 1.00 54.42 O ATOM 1216 CB ARG A 86 4.803 -6.034 -3.915 1.00 24.13 C ATOM 1217 CG ARG A 86 4.509 -6.712 -5.249 1.00 1.13 C ATOM 1218 CD ARG A 86 3.384 -5.959 -5.962 1.00 23.45 C ATOM 1219 NE ARG A 86 3.422 -6.022 -7.432 1.00 64.20 N ATOM 1220 CZ ARG A 86 4.087 -5.193 -8.247 1.00 11.03 C ATOM 1221 NH1 ARG A 86 5.030 -4.368 -7.792 1.00 53.02 N ATOM 1222 NH2 ARG A 86 3.795 -5.202 -9.539 1.00 23.24 N ATOM 0 H ARG A 86 2.102 -7.101 -3.688 1.00 71.52 H new ATOM 0 HA ARG A 86 4.083 -5.840 -1.925 1.00 13.13 H new ATOM 0 HB2 ARG A 86 5.154 -5.022 -4.118 1.00 24.13 H new ATOM 0 HB3 ARG A 86 5.625 -6.567 -3.436 1.00 24.13 H new ATOM 0 HG2 ARG A 86 5.405 -6.723 -5.870 1.00 1.13 H new ATOM 0 HG3 ARG A 86 4.221 -7.751 -5.086 1.00 1.13 H new ATOM 0 HD2 ARG A 86 2.429 -6.358 -5.622 1.00 23.45 H new ATOM 0 HD3 ARG A 86 3.419 -4.913 -5.658 1.00 23.45 H new ATOM 0 HE ARG A 86 2.889 -6.771 -7.874 1.00 64.20 H new ATOM 0 HH11 ARG A 86 5.262 -4.357 -6.799 1.00 53.02 H new ATOM 0 HH12 ARG A 86 5.520 -3.748 -8.437 1.00 53.02 H new ATOM 0 HH21 ARG A 86 3.076 -5.832 -9.895 1.00 23.24 H new ATOM 0 HH22 ARG A 86 4.289 -4.579 -10.178 1.00 23.24 H new ATOM 1233 N VAL A 87 3.273 -3.566 -2.847 1.00 73.34 N ATOM 1234 CA VAL A 87 2.708 -2.282 -3.202 1.00 14.12 C ATOM 1235 C VAL A 87 3.259 -1.854 -4.566 1.00 13.13 C ATOM 1236 O VAL A 87 4.273 -2.384 -5.032 1.00 62.52 O ATOM 1237 CB VAL A 87 3.010 -1.295 -2.047 1.00 64.55 C ATOM 1238 CG1 VAL A 87 4.351 -0.568 -2.036 1.00 15.12 C ATOM 1239 CG2 VAL A 87 1.941 -0.208 -1.961 1.00 45.41 C ATOM 0 H VAL A 87 4.138 -3.483 -2.314 1.00 73.34 H new ATOM 0 HA VAL A 87 1.625 -2.315 -3.317 1.00 14.12 H new ATOM 0 HB VAL A 87 3.030 -1.980 -1.199 1.00 64.55 H new ATOM 0 HG11 VAL A 87 4.404 0.084 -1.164 1.00 15.12 H new ATOM 0 HG12 VAL A 87 5.160 -1.297 -1.994 1.00 15.12 H new ATOM 0 HG13 VAL A 87 4.448 0.030 -2.942 1.00 15.12 H new ATOM 0 HG21 VAL A 87 2.178 0.471 -1.142 1.00 45.41 H new ATOM 0 HG22 VAL A 87 1.912 0.349 -2.897 1.00 45.41 H new ATOM 0 HG23 VAL A 87 0.969 -0.667 -1.782 1.00 45.41 H new ATOM 1249 N LYS A 88 2.605 -0.878 -5.189 1.00 74.40 N ATOM 1250 CA LYS A 88 3.091 -0.079 -6.307 1.00 63.41 C ATOM 1251 C LYS A 88 2.349 1.247 -6.270 1.00 51.10 C ATOM 1252 O LYS A 88 1.240 1.322 -5.743 1.00 61.31 O ATOM 1253 CB LYS A 88 2.838 -0.781 -7.656 1.00 61.40 C ATOM 1254 CG LYS A 88 1.456 -1.448 -7.771 1.00 70.42 C ATOM 1255 CD LYS A 88 1.121 -1.813 -9.218 1.00 62.44 C ATOM 1256 CE LYS A 88 -0.224 -2.542 -9.256 1.00 64.43 C ATOM 1257 NZ LYS A 88 -1.045 -2.200 -10.439 1.00 53.30 N ATOM 0 H LYS A 88 1.662 -0.608 -4.908 1.00 74.40 H new ATOM 0 HA LYS A 88 4.168 0.064 -6.216 1.00 63.41 H new ATOM 0 HB2 LYS A 88 2.944 -0.051 -8.458 1.00 61.40 H new ATOM 0 HB3 LYS A 88 3.608 -1.537 -7.809 1.00 61.40 H new ATOM 0 HG2 LYS A 88 1.434 -2.347 -7.155 1.00 70.42 H new ATOM 0 HG3 LYS A 88 0.693 -0.774 -7.380 1.00 70.42 H new ATOM 0 HD2 LYS A 88 1.078 -0.913 -9.832 1.00 62.44 H new ATOM 0 HD3 LYS A 88 1.903 -2.447 -9.636 1.00 62.44 H new ATOM 0 HE2 LYS A 88 -0.046 -3.617 -9.245 1.00 64.43 H new ATOM 0 HE3 LYS A 88 -0.784 -2.302 -8.352 1.00 64.43 H new ATOM 0 HZ1 LYS A 88 -1.941 -2.727 -10.404 1.00 53.30 H new ATOM 0 HZ2 LYS A 88 -1.243 -1.179 -10.441 1.00 53.30 H new ATOM 0 HZ3 LYS A 88 -0.528 -2.454 -11.305 1.00 53.30 H new ATOM 1267 N VAL A 89 2.914 2.275 -6.887 1.00 52.02 N ATOM 1268 CA VAL A 89 2.189 3.497 -7.215 1.00 63.31 C ATOM 1269 C VAL A 89 1.383 3.161 -8.474 1.00 41.33 C ATOM 1270 O VAL A 89 1.893 3.298 -9.592 1.00 10.24 O ATOM 1271 CB VAL A 89 3.152 4.687 -7.401 1.00 70.24 C ATOM 1272 CG1 VAL A 89 2.388 6.014 -7.396 1.00 31.52 C ATOM 1273 CG2 VAL A 89 4.244 4.751 -6.319 1.00 32.52 C ATOM 0 H VAL A 89 3.892 2.286 -7.176 1.00 52.02 H new ATOM 0 HA VAL A 89 1.523 3.816 -6.413 1.00 63.31 H new ATOM 0 HB VAL A 89 3.634 4.528 -8.365 1.00 70.24 H new ATOM 0 HG11 VAL A 89 3.089 6.838 -7.529 1.00 31.52 H new ATOM 0 HG12 VAL A 89 1.663 6.020 -8.210 1.00 31.52 H new ATOM 0 HG13 VAL A 89 1.867 6.130 -6.446 1.00 31.52 H new ATOM 0 HG21 VAL A 89 4.890 5.609 -6.504 1.00 32.52 H new ATOM 0 HG22 VAL A 89 3.779 4.852 -5.338 1.00 32.52 H new ATOM 0 HG23 VAL A 89 4.838 3.837 -6.347 1.00 32.52 H new ATOM 1283 N ASP A 90 0.213 2.555 -8.254 1.00 44.01 N ATOM 1284 CA ASP A 90 -0.944 2.477 -9.152 1.00 54.42 C ATOM 1285 C ASP A 90 -0.577 2.206 -10.607 1.00 73.23 C ATOM 1286 O ASP A 90 -0.443 3.172 -11.399 1.00 41.02 O ATOM 1287 CB ASP A 90 -1.898 3.650 -8.902 1.00 64.51 C ATOM 1288 CG ASP A 90 -2.932 3.791 -10.028 1.00 12.11 C ATOM 1289 OD1 ASP A 90 -3.436 2.771 -10.560 1.00 23.51 O ATOM 1290 OD2 ASP A 90 -3.237 4.950 -10.405 1.00 41.03 O ATOM 0 H ASP A 90 0.036 2.068 -7.375 1.00 44.01 H new ATOM 0 HA ASP A 90 -1.513 1.581 -8.902 1.00 54.42 H new ATOM 0 HB2 ASP A 90 -2.412 3.505 -7.952 1.00 64.51 H new ATOM 0 HB3 ASP A 90 -1.325 4.573 -8.816 1.00 64.51 H new