USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= 1.02 K(o=1,f=0.14) USER MOD Set 2.1: A 63 LYS NZ :NH3+ -129:sc= 1.17 (180deg=-0.293) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.477 K(o=0.69,f=-7.2!) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.284 K(o=-0.32,f=-1.7) USER MOD Set 3.2: A 59 LYS NZ :NH3+ -166:sc= -0.0359 (180deg=-0.18) USER MOD Set 4.1: A 38 THR OG1 : rot -110:sc= 1.07 USER MOD Set 4.2: A 42 SER OG : rot -159:sc= 1.49 USER MOD Set 5.1: A 29 CYS SG : rot -163:sc= -0.488 USER MOD Set 5.2: A 33 MET CE :methyl -166:sc= -4.53! (180deg=-4.47!) USER MOD Single : A 14 TYR OH : rot -79:sc= 0.203 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.933 (180deg=0.921) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 171:sc= -0.677 (180deg=-0.813) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= 0.722 (180deg=-0.28) USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 0.804 (180deg=0.111) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.0266 USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.0523 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.247 F(o=-0.76,f=-0.25) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-7.8!) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.945) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 58 THR OG1 : rot 179:sc= -1.28! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 1.640 4.431 4.909 1.00 43.40 N ATOM 177 CA ILE A 12 0.570 5.318 4.509 1.00 24.42 C ATOM 178 C ILE A 12 -0.618 5.065 5.427 1.00 61.34 C ATOM 179 O ILE A 12 -0.727 3.995 5.964 1.00 60.34 O ATOM 180 CB ILE A 12 0.177 5.038 3.018 1.00 2.04 C ATOM 181 CG1 ILE A 12 1.419 5.136 2.103 1.00 52.54 C ATOM 182 CG2 ILE A 12 -0.904 6.000 2.528 1.00 13.14 C ATOM 183 CD1 ILE A 12 2.100 6.489 2.114 1.00 35.24 C ATOM 0 HA ILE A 12 0.886 6.358 4.587 1.00 24.42 H new ATOM 0 HB ILE A 12 -0.225 4.026 2.973 1.00 2.04 H new ATOM 0 HG12 ILE A 12 2.140 4.378 2.408 1.00 52.54 H new ATOM 0 HG13 ILE A 12 1.122 4.901 1.081 1.00 52.54 H new ATOM 0 HG21 ILE A 12 -1.149 5.774 1.490 1.00 13.14 H new ATOM 0 HG22 ILE A 12 -1.796 5.889 3.144 1.00 13.14 H new ATOM 0 HG23 ILE A 12 -0.539 7.025 2.599 1.00 13.14 H new ATOM 0 HD11 ILE A 12 2.961 6.469 1.445 1.00 35.24 H new ATOM 0 HD12 ILE A 12 1.398 7.252 1.779 1.00 35.24 H new ATOM 0 HD13 ILE A 12 2.432 6.721 3.126 1.00 35.24 H new ATOM 195 N ARG A 13 -1.439 6.048 5.713 1.00 14.44 N ATOM 196 CA ARG A 13 -2.624 5.711 6.479 1.00 41.14 C ATOM 197 C ARG A 13 -3.673 5.139 5.546 1.00 50.20 C ATOM 198 O ARG A 13 -3.683 5.445 4.360 1.00 20.23 O ATOM 199 CB ARG A 13 -3.248 6.839 7.284 1.00 0.30 C ATOM 200 CG ARG A 13 -2.399 7.503 8.366 1.00 11.05 C ATOM 201 CD ARG A 13 -1.324 8.384 7.794 1.00 64.03 C ATOM 202 NE ARG A 13 -1.891 9.472 6.970 1.00 44.25 N ATOM 203 CZ ARG A 13 -1.435 10.733 6.910 1.00 11.03 C ATOM 204 NH1 ARG A 13 -0.455 11.142 7.715 1.00 63.12 N ATOM 205 NH2 ARG A 13 -1.982 11.579 6.049 1.00 43.52 N ATOM 0 H ARG A 13 -1.327 7.027 5.450 1.00 14.44 H new ATOM 0 HA ARG A 13 -2.279 4.990 7.220 1.00 41.14 H new ATOM 0 HB2 ARG A 13 -3.563 7.614 6.585 1.00 0.30 H new ATOM 0 HB3 ARG A 13 -4.150 6.452 7.758 1.00 0.30 H new ATOM 0 HG2 ARG A 13 -3.043 8.096 9.016 1.00 11.05 H new ATOM 0 HG3 ARG A 13 -1.941 6.733 8.987 1.00 11.05 H new ATOM 0 HD2 ARG A 13 -0.734 8.811 8.605 1.00 64.03 H new ATOM 0 HD3 ARG A 13 -0.646 7.784 7.188 1.00 64.03 H new ATOM 0 HE ARG A 13 -2.702 9.244 6.395 1.00 44.25 H new ATOM 0 HH11 ARG A 13 -0.043 10.494 8.386 1.00 63.12 H new ATOM 0 HH12 ARG A 13 -0.117 12.103 7.660 1.00 63.12 H new ATOM 0 HH21 ARG A 13 -2.741 11.269 5.442 1.00 43.52 H new ATOM 0 HH22 ARG A 13 -1.644 12.540 5.994 1.00 43.52 H new ATOM 219 N TYR A 14 -4.575 4.365 6.091 1.00 43.32 N ATOM 220 CA TYR A 14 -5.571 3.635 5.313 1.00 12.32 C ATOM 221 C TYR A 14 -6.535 4.583 4.600 1.00 72.52 C ATOM 222 O TYR A 14 -6.948 4.330 3.469 1.00 63.23 O ATOM 223 CB TYR A 14 -6.324 2.671 6.235 1.00 3.31 C ATOM 224 CG TYR A 14 -5.386 1.770 7.002 1.00 33.51 C ATOM 225 CD1 TYR A 14 -4.899 0.607 6.440 1.00 14.11 C ATOM 226 CD2 TYR A 14 -4.960 2.110 8.287 1.00 63.04 C ATOM 227 CE1 TYR A 14 -4.019 -0.190 7.122 1.00 72.05 C ATOM 228 CE2 TYR A 14 -4.080 1.308 8.978 1.00 22.41 C ATOM 229 CZ TYR A 14 -3.610 0.162 8.391 1.00 31.23 C ATOM 230 OH TYR A 14 -2.712 -0.635 9.065 1.00 43.42 O ATOM 0 H TYR A 14 -4.649 4.215 7.097 1.00 43.32 H new ATOM 0 HA TYR A 14 -5.060 3.065 4.537 1.00 12.32 H new ATOM 0 HB2 TYR A 14 -6.932 3.242 6.937 1.00 3.31 H new ATOM 0 HB3 TYR A 14 -7.007 2.062 5.642 1.00 3.31 H new ATOM 0 HD1 TYR A 14 -5.217 0.322 5.448 1.00 14.11 H new ATOM 0 HD2 TYR A 14 -5.326 3.016 8.746 1.00 63.04 H new ATOM 0 HE1 TYR A 14 -3.645 -1.095 6.666 1.00 72.05 H new ATOM 0 HE2 TYR A 14 -3.763 1.579 9.974 1.00 22.41 H new ATOM 0 HH TYR A 14 -3.181 -1.407 9.445 1.00 43.42 H new ATOM 240 N SER A 15 -6.864 5.685 5.249 1.00 63.34 N ATOM 241 CA SER A 15 -7.769 6.675 4.682 1.00 32.25 C ATOM 242 C SER A 15 -7.117 7.441 3.516 1.00 32.01 C ATOM 243 O SER A 15 -7.809 7.994 2.664 1.00 64.11 O ATOM 244 CB SER A 15 -8.224 7.645 5.762 1.00 23.13 C ATOM 245 OG SER A 15 -8.923 6.954 6.795 1.00 72.00 O ATOM 0 H SER A 15 -6.515 5.921 6.178 1.00 63.34 H new ATOM 0 HA SER A 15 -8.635 6.146 4.285 1.00 32.25 H new ATOM 0 HB2 SER A 15 -7.361 8.161 6.182 1.00 23.13 H new ATOM 0 HB3 SER A 15 -8.870 8.407 5.325 1.00 23.13 H new ATOM 0 HG SER A 15 -9.207 7.593 7.482 1.00 72.00 H new ATOM 251 N ASP A 16 -5.784 7.440 3.471 1.00 4.11 N ATOM 252 CA ASP A 16 -5.047 8.125 2.401 1.00 25.10 C ATOM 253 C ASP A 16 -4.932 7.230 1.201 1.00 0.21 C ATOM 254 O ASP A 16 -4.673 7.690 0.089 1.00 30.34 O ATOM 255 CB ASP A 16 -3.627 8.528 2.838 1.00 40.12 C ATOM 256 CG ASP A 16 -3.571 9.588 3.907 1.00 74.31 C ATOM 257 OD1 ASP A 16 -3.765 9.266 5.092 1.00 11.43 O ATOM 258 OD2 ASP A 16 -3.273 10.772 3.583 1.00 63.24 O ATOM 0 H ASP A 16 -5.192 6.975 4.159 1.00 4.11 H new ATOM 0 HA ASP A 16 -5.608 9.028 2.161 1.00 25.10 H new ATOM 0 HB2 ASP A 16 -3.108 7.640 3.199 1.00 40.12 H new ATOM 0 HB3 ASP A 16 -3.081 8.884 1.965 1.00 40.12 H new ATOM 263 N VAL A 17 -5.124 5.953 1.422 1.00 41.42 N ATOM 264 CA VAL A 17 -5.015 4.984 0.365 1.00 33.42 C ATOM 265 C VAL A 17 -6.310 4.947 -0.421 1.00 54.30 C ATOM 266 O VAL A 17 -7.391 4.824 0.145 1.00 72.52 O ATOM 267 CB VAL A 17 -4.719 3.559 0.906 1.00 0.45 C ATOM 268 CG1 VAL A 17 -4.502 2.581 -0.226 1.00 74.10 C ATOM 269 CG2 VAL A 17 -3.539 3.551 1.855 1.00 44.22 C ATOM 0 H VAL A 17 -5.359 5.560 2.334 1.00 41.42 H new ATOM 0 HA VAL A 17 -4.183 5.286 -0.271 1.00 33.42 H new ATOM 0 HB VAL A 17 -5.596 3.241 1.470 1.00 0.45 H new ATOM 0 HG11 VAL A 17 -4.297 1.591 0.182 1.00 74.10 H new ATOM 0 HG12 VAL A 17 -5.397 2.539 -0.847 1.00 74.10 H new ATOM 0 HG13 VAL A 17 -3.656 2.907 -0.831 1.00 74.10 H new ATOM 0 HG21 VAL A 17 -3.365 2.535 2.211 1.00 44.22 H new ATOM 0 HG22 VAL A 17 -2.651 3.910 1.335 1.00 44.22 H new ATOM 0 HG23 VAL A 17 -3.750 4.202 2.704 1.00 44.22 H new ATOM 279 N LYS A 18 -6.204 5.090 -1.702 1.00 61.41 N ATOM 280 CA LYS A 18 -7.360 5.019 -2.567 1.00 21.03 C ATOM 281 C LYS A 18 -7.370 3.687 -3.289 1.00 73.24 C ATOM 282 O LYS A 18 -8.415 3.195 -3.715 1.00 42.45 O ATOM 283 CB LYS A 18 -7.309 6.174 -3.542 1.00 74.43 C ATOM 284 CG LYS A 18 -8.581 6.376 -4.380 1.00 52.31 C ATOM 285 CD LYS A 18 -8.593 7.725 -5.125 1.00 61.05 C ATOM 286 CE LYS A 18 -7.405 7.905 -6.056 1.00 72.10 C ATOM 287 NZ LYS A 18 -7.418 9.233 -6.730 1.00 30.33 N ATOM 0 H LYS A 18 -5.323 5.259 -2.187 1.00 61.41 H new ATOM 0 HA LYS A 18 -8.279 5.093 -1.986 1.00 21.03 H new ATOM 0 HB2 LYS A 18 -7.110 7.090 -2.986 1.00 74.43 H new ATOM 0 HB3 LYS A 18 -6.468 6.022 -4.218 1.00 74.43 H new ATOM 0 HG2 LYS A 18 -8.667 5.565 -5.103 1.00 52.31 H new ATOM 0 HG3 LYS A 18 -9.453 6.317 -3.729 1.00 52.31 H new ATOM 0 HD2 LYS A 18 -9.514 7.806 -5.702 1.00 61.05 H new ATOM 0 HD3 LYS A 18 -8.601 8.535 -4.396 1.00 61.05 H new ATOM 0 HE2 LYS A 18 -6.481 7.796 -5.489 1.00 72.10 H new ATOM 0 HE3 LYS A 18 -7.412 7.117 -6.809 1.00 72.10 H new ATOM 0 HZ1 LYS A 18 -6.639 9.281 -7.418 1.00 30.33 H new ATOM 0 HZ2 LYS A 18 -8.324 9.363 -7.223 1.00 30.33 H new ATOM 0 HZ3 LYS A 18 -7.300 9.984 -6.020 1.00 30.33 H new ATOM 301 N LYS A 19 -6.202 3.119 -3.394 1.00 64.53 N ATOM 302 CA LYS A 19 -6.001 1.812 -4.052 1.00 52.22 C ATOM 303 C LYS A 19 -4.802 1.115 -3.482 1.00 64.05 C ATOM 304 O LYS A 19 -3.789 1.756 -3.155 1.00 14.44 O ATOM 305 CB LYS A 19 -5.725 1.918 -5.563 1.00 20.11 C ATOM 306 CG LYS A 19 -6.791 2.514 -6.444 1.00 73.13 C ATOM 307 CD LYS A 19 -6.266 2.564 -7.870 1.00 52.44 C ATOM 308 CE LYS A 19 -7.275 3.106 -8.842 1.00 33.32 C ATOM 309 NZ LYS A 19 -6.707 3.200 -10.204 1.00 22.11 N ATOM 0 H LYS A 19 -5.344 3.533 -3.031 1.00 64.53 H new ATOM 0 HA LYS A 19 -6.932 1.272 -3.880 1.00 52.22 H new ATOM 0 HB2 LYS A 19 -4.817 2.507 -5.695 1.00 20.11 H new ATOM 0 HB3 LYS A 19 -5.510 0.915 -5.933 1.00 20.11 H new ATOM 0 HG2 LYS A 19 -7.701 1.915 -6.396 1.00 73.13 H new ATOM 0 HG3 LYS A 19 -7.050 3.515 -6.100 1.00 73.13 H new ATOM 0 HD2 LYS A 19 -5.369 3.183 -7.901 1.00 52.44 H new ATOM 0 HD3 LYS A 19 -5.972 1.561 -8.180 1.00 52.44 H new ATOM 0 HE2 LYS A 19 -8.154 2.462 -8.855 1.00 33.32 H new ATOM 0 HE3 LYS A 19 -7.607 4.091 -8.515 1.00 33.32 H new ATOM 0 HZ1 LYS A 19 -7.425 3.577 -10.854 1.00 22.11 H new ATOM 0 HZ2 LYS A 19 -5.883 3.834 -10.193 1.00 22.11 H new ATOM 0 HZ3 LYS A 19 -6.413 2.255 -10.523 1.00 22.11 H new ATOM 323 N LEU A 20 -4.906 -0.174 -3.403 1.00 22.11 N ATOM 324 CA LEU A 20 -3.826 -1.028 -3.013 1.00 20.14 C ATOM 325 C LEU A 20 -3.799 -2.142 -4.036 1.00 42.03 C ATOM 326 O LEU A 20 -4.804 -2.853 -4.215 1.00 2.11 O ATOM 327 CB LEU A 20 -4.067 -1.566 -1.576 1.00 32.42 C ATOM 328 CG LEU A 20 -2.947 -2.395 -0.884 1.00 20.32 C ATOM 329 CD1 LEU A 20 -3.314 -2.619 0.566 1.00 60.10 C ATOM 330 CD2 LEU A 20 -2.728 -3.752 -1.554 1.00 42.43 C ATOM 0 H LEU A 20 -5.768 -0.677 -3.614 1.00 22.11 H new ATOM 0 HA LEU A 20 -2.869 -0.507 -2.988 1.00 20.14 H new ATOM 0 HB2 LEU A 20 -4.286 -0.711 -0.937 1.00 32.42 H new ATOM 0 HB3 LEU A 20 -4.965 -2.183 -1.602 1.00 32.42 H new ATOM 0 HG LEU A 20 -2.021 -1.827 -0.970 1.00 20.32 H new ATOM 0 HD11 LEU A 20 -2.531 -3.200 1.054 1.00 60.10 H new ATOM 0 HD12 LEU A 20 -3.418 -1.657 1.068 1.00 60.10 H new ATOM 0 HD13 LEU A 20 -4.257 -3.162 0.623 1.00 60.10 H new ATOM 0 HD21 LEU A 20 -1.936 -4.291 -1.034 1.00 42.43 H new ATOM 0 HD22 LEU A 20 -3.650 -4.332 -1.512 1.00 42.43 H new ATOM 0 HD23 LEU A 20 -2.441 -3.602 -2.595 1.00 42.43 H new ATOM 342 N GLU A 21 -2.693 -2.290 -4.707 1.00 12.10 N ATOM 343 CA GLU A 21 -2.564 -3.265 -5.766 1.00 61.12 C ATOM 344 C GLU A 21 -1.163 -3.854 -5.786 1.00 12.21 C ATOM 345 O GLU A 21 -0.194 -3.148 -5.577 1.00 60.24 O ATOM 346 CB GLU A 21 -2.990 -2.624 -7.104 1.00 45.33 C ATOM 347 CG GLU A 21 -2.422 -1.224 -7.340 1.00 23.30 C ATOM 348 CD GLU A 21 -3.006 -0.545 -8.558 1.00 53.44 C ATOM 349 OE1 GLU A 21 -4.219 -0.282 -8.581 1.00 13.31 O ATOM 350 OE2 GLU A 21 -2.262 -0.307 -9.527 1.00 74.54 O ATOM 0 H GLU A 21 -1.851 -1.740 -4.539 1.00 12.10 H new ATOM 0 HA GLU A 21 -3.232 -4.108 -5.589 1.00 61.12 H new ATOM 0 HB2 GLU A 21 -2.676 -3.273 -7.921 1.00 45.33 H new ATOM 0 HB3 GLU A 21 -4.078 -2.572 -7.139 1.00 45.33 H new ATOM 0 HG2 GLU A 21 -2.613 -0.608 -6.461 1.00 23.30 H new ATOM 0 HG3 GLU A 21 -1.340 -1.292 -7.453 1.00 23.30 H new ATOM 357 N MET A 22 -1.055 -5.155 -5.977 1.00 32.34 N ATOM 358 CA MET A 22 0.238 -5.798 -5.898 1.00 53.23 C ATOM 359 C MET A 22 0.821 -6.231 -7.234 1.00 41.20 C ATOM 360 O MET A 22 0.275 -7.095 -7.920 1.00 75.54 O ATOM 361 CB MET A 22 0.203 -6.987 -4.952 1.00 23.55 C ATOM 362 CG MET A 22 -0.068 -6.645 -3.508 1.00 30.23 C ATOM 363 SD MET A 22 -0.089 -8.110 -2.460 1.00 32.01 S ATOM 364 CE MET A 22 -0.389 -7.373 -0.864 1.00 4.41 C ATOM 0 H MET A 22 -1.836 -5.778 -6.185 1.00 32.34 H new ATOM 0 HA MET A 22 0.901 -5.024 -5.512 1.00 53.23 H new ATOM 0 HB2 MET A 22 -0.563 -7.683 -5.295 1.00 23.55 H new ATOM 0 HB3 MET A 22 1.158 -7.509 -5.013 1.00 23.55 H new ATOM 0 HG2 MET A 22 0.695 -5.954 -3.150 1.00 30.23 H new ATOM 0 HG3 MET A 22 -1.026 -6.130 -3.431 1.00 30.23 H new ATOM 0 HE1 MET A 22 -0.588 -8.157 -0.133 1.00 4.41 H new ATOM 0 HE2 MET A 22 0.488 -6.804 -0.556 1.00 4.41 H new ATOM 0 HE3 MET A 22 -1.250 -6.708 -0.927 1.00 4.41 H new ATOM 374 N LYS A 23 1.909 -5.596 -7.587 1.00 3.54 N ATOM 375 CA LYS A 23 2.791 -5.987 -8.676 1.00 52.44 C ATOM 376 C LYS A 23 4.135 -5.355 -8.438 1.00 14.45 C ATOM 377 O LYS A 23 4.195 -4.271 -7.852 1.00 51.11 O ATOM 378 CB LYS A 23 2.287 -5.688 -10.116 1.00 2.51 C ATOM 379 CG LYS A 23 1.880 -4.261 -10.427 1.00 62.42 C ATOM 380 CD LYS A 23 0.415 -4.053 -10.156 1.00 41.11 C ATOM 381 CE LYS A 23 -0.013 -2.653 -10.499 1.00 1.15 C ATOM 382 NZ LYS A 23 -1.471 -2.539 -10.493 1.00 42.53 N ATOM 0 H LYS A 23 2.225 -4.754 -7.107 1.00 3.54 H new ATOM 0 HA LYS A 23 2.837 -7.076 -8.652 1.00 52.44 H new ATOM 0 HB2 LYS A 23 3.073 -5.975 -10.815 1.00 2.51 H new ATOM 0 HB3 LYS A 23 1.432 -6.334 -10.315 1.00 2.51 H new ATOM 0 HG2 LYS A 23 2.468 -3.570 -9.823 1.00 62.42 H new ATOM 0 HG3 LYS A 23 2.097 -4.035 -11.471 1.00 62.42 H new ATOM 0 HD2 LYS A 23 -0.169 -4.766 -10.737 1.00 41.11 H new ATOM 0 HD3 LYS A 23 0.206 -4.252 -9.105 1.00 41.11 H new ATOM 0 HE2 LYS A 23 0.414 -1.952 -9.782 1.00 1.15 H new ATOM 0 HE3 LYS A 23 0.373 -2.380 -11.481 1.00 1.15 H new ATOM 0 HZ1 LYS A 23 -1.741 -1.555 -10.291 1.00 42.53 H new ATOM 0 HZ2 LYS A 23 -1.845 -2.817 -11.423 1.00 42.53 H new ATOM 0 HZ3 LYS A 23 -1.865 -3.163 -9.761 1.00 42.53 H new ATOM 396 N PRO A 24 5.243 -6.012 -8.823 1.00 22.53 N ATOM 397 CA PRO A 24 6.558 -5.435 -8.656 1.00 13.50 C ATOM 398 C PRO A 24 6.696 -4.153 -9.454 1.00 13.24 C ATOM 399 O PRO A 24 6.354 -4.104 -10.644 1.00 22.14 O ATOM 400 CB PRO A 24 7.525 -6.501 -9.188 1.00 72.33 C ATOM 401 CG PRO A 24 6.689 -7.406 -10.019 1.00 3.14 C ATOM 402 CD PRO A 24 5.303 -7.350 -9.446 1.00 52.10 C ATOM 0 HA PRO A 24 6.756 -5.174 -7.616 1.00 13.50 H new ATOM 0 HB2 PRO A 24 8.323 -6.050 -9.778 1.00 72.33 H new ATOM 0 HB3 PRO A 24 8.001 -7.044 -8.371 1.00 72.33 H new ATOM 0 HG2 PRO A 24 6.691 -7.088 -11.062 1.00 3.14 H new ATOM 0 HG3 PRO A 24 7.078 -8.424 -9.996 1.00 3.14 H new ATOM 0 HD2 PRO A 24 4.544 -7.467 -10.219 1.00 52.10 H new ATOM 0 HD3 PRO A 24 5.138 -8.141 -8.715 1.00 52.10 H new ATOM 410 N LYS A 25 7.178 -3.108 -8.804 1.00 63.45 N ATOM 411 CA LYS A 25 7.383 -1.838 -9.477 1.00 63.11 C ATOM 412 C LYS A 25 8.641 -1.962 -10.345 1.00 73.35 C ATOM 413 O LYS A 25 8.874 -1.187 -11.274 1.00 23.24 O ATOM 414 CB LYS A 25 7.493 -0.692 -8.453 1.00 30.10 C ATOM 415 CG LYS A 25 7.499 0.700 -9.049 1.00 43.14 C ATOM 416 CD LYS A 25 6.147 0.998 -9.663 1.00 63.35 C ATOM 417 CE LYS A 25 6.150 2.323 -10.405 1.00 42.31 C ATOM 418 NZ LYS A 25 4.859 2.596 -11.086 1.00 10.30 N ATOM 0 H LYS A 25 7.433 -3.113 -7.817 1.00 63.45 H new ATOM 0 HA LYS A 25 6.532 -1.598 -10.114 1.00 63.11 H new ATOM 0 HB2 LYS A 25 6.660 -0.768 -7.754 1.00 30.10 H new ATOM 0 HB3 LYS A 25 8.407 -0.828 -7.875 1.00 30.10 H new ATOM 0 HG2 LYS A 25 7.729 1.435 -8.278 1.00 43.14 H new ATOM 0 HG3 LYS A 25 8.279 0.778 -9.807 1.00 43.14 H new ATOM 0 HD2 LYS A 25 5.874 0.197 -10.349 1.00 63.35 H new ATOM 0 HD3 LYS A 25 5.388 1.020 -8.881 1.00 63.35 H new ATOM 0 HE2 LYS A 25 6.364 3.129 -9.703 1.00 42.31 H new ATOM 0 HE3 LYS A 25 6.953 2.321 -11.142 1.00 42.31 H new ATOM 0 HZ1 LYS A 25 5.036 3.113 -11.971 1.00 10.30 H new ATOM 0 HZ2 LYS A 25 4.382 1.697 -11.300 1.00 10.30 H new ATOM 0 HZ3 LYS A 25 4.254 3.170 -10.465 1.00 10.30 H new ATOM 432 N TYR A 26 9.441 -2.954 -10.003 1.00 15.51 N ATOM 433 CA TYR A 26 10.578 -3.361 -10.769 1.00 11.11 C ATOM 434 C TYR A 26 10.497 -4.865 -10.909 1.00 62.43 C ATOM 435 O TYR A 26 10.401 -5.558 -9.904 1.00 4.24 O ATOM 436 CB TYR A 26 11.901 -2.988 -10.060 1.00 72.22 C ATOM 437 CG TYR A 26 12.182 -1.516 -9.976 1.00 33.24 C ATOM 438 CD1 TYR A 26 11.707 -0.743 -8.923 1.00 21.02 C ATOM 439 CD2 TYR A 26 12.940 -0.905 -10.951 1.00 43.31 C ATOM 440 CE1 TYR A 26 11.987 0.602 -8.853 1.00 11.52 C ATOM 441 CE2 TYR A 26 13.225 0.439 -10.893 1.00 45.34 C ATOM 442 CZ TYR A 26 12.746 1.191 -9.840 1.00 13.11 C ATOM 443 OH TYR A 26 13.034 2.536 -9.770 1.00 71.12 O ATOM 0 H TYR A 26 9.304 -3.508 -9.158 1.00 15.51 H new ATOM 0 HA TYR A 26 10.571 -2.858 -11.736 1.00 11.11 H new ATOM 0 HB2 TYR A 26 11.882 -3.397 -9.050 1.00 72.22 H new ATOM 0 HB3 TYR A 26 12.726 -3.471 -10.585 1.00 72.22 H new ATOM 0 HD1 TYR A 26 11.110 -1.204 -8.150 1.00 21.02 H new ATOM 0 HD2 TYR A 26 13.317 -1.492 -11.775 1.00 43.31 H new ATOM 0 HE1 TYR A 26 11.614 1.192 -8.029 1.00 11.52 H new ATOM 0 HE2 TYR A 26 13.820 0.903 -11.666 1.00 45.34 H new ATOM 0 HH TYR A 26 13.579 2.794 -10.542 1.00 71.12 H new ATOM 453 N PRO A 27 10.542 -5.402 -12.137 1.00 54.25 N ATOM 454 CA PRO A 27 10.473 -6.864 -12.370 1.00 74.01 C ATOM 455 C PRO A 27 11.648 -7.604 -11.722 1.00 22.21 C ATOM 456 O PRO A 27 11.561 -8.787 -11.398 1.00 71.03 O ATOM 457 CB PRO A 27 10.542 -6.986 -13.894 1.00 74.14 C ATOM 458 CG PRO A 27 10.106 -5.653 -14.402 1.00 62.01 C ATOM 459 CD PRO A 27 10.600 -4.649 -13.403 1.00 3.32 C ATOM 0 HA PRO A 27 9.577 -7.307 -11.936 1.00 74.01 H new ATOM 0 HB2 PRO A 27 11.552 -7.225 -14.227 1.00 74.14 H new ATOM 0 HB3 PRO A 27 9.890 -7.781 -14.257 1.00 74.14 H new ATOM 0 HG2 PRO A 27 10.521 -5.457 -15.390 1.00 62.01 H new ATOM 0 HG3 PRO A 27 9.021 -5.607 -14.497 1.00 62.01 H new ATOM 0 HD2 PRO A 27 11.612 -4.315 -13.630 1.00 3.32 H new ATOM 0 HD3 PRO A 27 9.970 -3.760 -13.376 1.00 3.32 H new ATOM 467 N HIS A 28 12.732 -6.877 -11.508 1.00 32.23 N ATOM 468 CA HIS A 28 13.940 -7.422 -10.875 1.00 11.21 C ATOM 469 C HIS A 28 13.817 -7.416 -9.332 1.00 50.25 C ATOM 470 O HIS A 28 14.816 -7.526 -8.626 1.00 1.21 O ATOM 471 CB HIS A 28 15.212 -6.613 -11.304 1.00 31.13 C ATOM 472 CG HIS A 28 15.249 -5.168 -10.852 1.00 11.33 C ATOM 473 ND1 HIS A 28 15.653 -4.799 -9.595 1.00 3.31 N ATOM 474 CD2 HIS A 28 14.936 -4.003 -11.485 1.00 13.14 C ATOM 475 CE1 HIS A 28 15.583 -3.501 -9.478 1.00 22.54 C ATOM 476 NE2 HIS A 28 15.162 -2.997 -10.602 1.00 43.33 N ATOM 0 H HIS A 28 12.808 -5.893 -11.765 1.00 32.23 H new ATOM 0 HA HIS A 28 14.045 -8.453 -11.213 1.00 11.21 H new ATOM 0 HB2 HIS A 28 16.093 -7.121 -10.912 1.00 31.13 H new ATOM 0 HB3 HIS A 28 15.287 -6.637 -12.391 1.00 31.13 H new ATOM 0 HD2 HIS A 28 14.576 -3.899 -12.498 1.00 13.14 H new ATOM 0 HE1 HIS A 28 15.834 -2.936 -8.592 1.00 22.54 H new ATOM 0 HE2 HIS A 28 15.024 -2.004 -10.789 1.00 43.33 H new ATOM 485 N CYS A 29 12.604 -7.303 -8.825 1.00 73.25 N ATOM 486 CA CYS A 29 12.384 -7.252 -7.387 1.00 61.03 C ATOM 487 C CYS A 29 11.711 -8.543 -6.959 1.00 23.13 C ATOM 488 O CYS A 29 11.024 -9.188 -7.776 1.00 22.33 O ATOM 489 CB CYS A 29 11.468 -6.079 -7.040 1.00 25.21 C ATOM 490 SG CYS A 29 11.398 -5.667 -5.258 1.00 74.00 S ATOM 0 H CYS A 29 11.754 -7.245 -9.385 1.00 73.25 H new ATOM 0 HA CYS A 29 13.338 -7.126 -6.875 1.00 61.03 H new ATOM 0 HB2 CYS A 29 11.802 -5.199 -7.590 1.00 25.21 H new ATOM 0 HB3 CYS A 29 10.460 -6.307 -7.386 1.00 25.21 H new ATOM 0 HG CYS A 29 10.353 -4.930 -5.024 1.00 74.00 H new ATOM 495 N GLU A 30 11.910 -8.946 -5.721 1.00 24.51 N ATOM 496 CA GLU A 30 11.319 -10.137 -5.223 1.00 63.11 C ATOM 497 C GLU A 30 9.921 -9.933 -4.662 1.00 44.11 C ATOM 498 O GLU A 30 9.691 -9.017 -3.859 1.00 53.01 O ATOM 499 CB GLU A 30 12.254 -10.892 -4.288 1.00 23.40 C ATOM 500 CG GLU A 30 13.363 -10.086 -3.679 1.00 64.01 C ATOM 501 CD GLU A 30 12.926 -8.985 -2.740 1.00 25.01 C ATOM 502 OE1 GLU A 30 12.530 -9.286 -1.621 1.00 43.55 O ATOM 503 OE2 GLU A 30 12.974 -7.804 -3.123 1.00 22.14 O ATOM 0 H GLU A 30 12.488 -8.447 -5.045 1.00 24.51 H new ATOM 0 HA GLU A 30 11.168 -10.787 -6.085 1.00 63.11 H new ATOM 0 HB2 GLU A 30 11.660 -11.324 -3.482 1.00 23.40 H new ATOM 0 HB3 GLU A 30 12.695 -11.723 -4.839 1.00 23.40 H new ATOM 0 HG2 GLU A 30 14.024 -10.762 -3.136 1.00 64.01 H new ATOM 0 HG3 GLU A 30 13.950 -9.642 -4.483 1.00 64.01 H new ATOM 510 N GLU A 31 8.995 -10.812 -5.093 1.00 54.53 N ATOM 511 CA GLU A 31 7.570 -10.791 -4.716 1.00 3.43 C ATOM 512 C GLU A 31 6.845 -9.609 -5.425 1.00 22.11 C ATOM 513 O GLU A 31 7.455 -8.878 -6.214 1.00 63.34 O ATOM 514 CB GLU A 31 7.410 -10.780 -3.158 1.00 21.42 C ATOM 515 CG GLU A 31 5.985 -10.862 -2.618 1.00 24.53 C ATOM 516 CD GLU A 31 5.244 -12.069 -3.119 1.00 44.21 C ATOM 517 OE1 GLU A 31 5.329 -13.138 -2.483 1.00 63.04 O ATOM 518 OE2 GLU A 31 4.572 -11.971 -4.167 1.00 54.01 O ATOM 0 H GLU A 31 9.225 -11.575 -5.729 1.00 54.53 H new ATOM 0 HA GLU A 31 7.085 -11.704 -5.061 1.00 3.43 H new ATOM 0 HB2 GLU A 31 7.977 -11.617 -2.751 1.00 21.42 H new ATOM 0 HB3 GLU A 31 7.868 -9.868 -2.775 1.00 21.42 H new ATOM 0 HG2 GLU A 31 6.014 -10.885 -1.529 1.00 24.53 H new ATOM 0 HG3 GLU A 31 5.440 -9.962 -2.903 1.00 24.53 H new ATOM 525 N LYS A 32 5.557 -9.491 -5.223 1.00 3.05 N ATOM 526 CA LYS A 32 4.775 -8.396 -5.761 1.00 24.14 C ATOM 527 C LYS A 32 4.767 -7.229 -4.812 1.00 61.42 C ATOM 528 O LYS A 32 4.407 -7.370 -3.646 1.00 45.31 O ATOM 529 CB LYS A 32 3.329 -8.831 -6.091 1.00 43.41 C ATOM 530 CG LYS A 32 3.159 -9.628 -7.387 1.00 50.13 C ATOM 531 CD LYS A 32 4.061 -10.826 -7.448 1.00 40.41 C ATOM 532 CE LYS A 32 3.877 -11.585 -8.749 1.00 1.31 C ATOM 533 NZ LYS A 32 4.783 -12.743 -8.849 1.00 3.54 N ATOM 0 H LYS A 32 5.012 -10.157 -4.675 1.00 3.05 H new ATOM 0 HA LYS A 32 5.249 -8.087 -6.693 1.00 24.14 H new ATOM 0 HB2 LYS A 32 2.951 -9.432 -5.264 1.00 43.41 H new ATOM 0 HB3 LYS A 32 2.704 -7.940 -6.149 1.00 43.41 H new ATOM 0 HG2 LYS A 32 2.122 -9.953 -7.477 1.00 50.13 H new ATOM 0 HG3 LYS A 32 3.364 -8.979 -8.238 1.00 50.13 H new ATOM 0 HD2 LYS A 32 5.099 -10.508 -7.353 1.00 40.41 H new ATOM 0 HD3 LYS A 32 3.851 -11.486 -6.606 1.00 40.41 H new ATOM 0 HE2 LYS A 32 2.844 -11.926 -8.826 1.00 1.31 H new ATOM 0 HE3 LYS A 32 4.055 -10.913 -9.588 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 4.623 -13.232 -9.753 1.00 3.54 H new ATOM 0 HZ2 LYS A 32 5.769 -12.417 -8.801 1.00 3.54 H new ATOM 0 HZ3 LYS A 32 4.597 -13.398 -8.063 1.00 3.54 H new ATOM 547 N MET A 33 5.194 -6.086 -5.307 1.00 21.05 N ATOM 548 CA MET A 33 5.216 -4.857 -4.502 1.00 1.31 C ATOM 549 C MET A 33 3.843 -4.402 -4.186 1.00 73.24 C ATOM 550 O MET A 33 2.891 -4.665 -4.922 1.00 35.22 O ATOM 551 CB MET A 33 5.946 -3.673 -5.164 1.00 4.51 C ATOM 552 CG MET A 33 7.486 -3.653 -5.183 1.00 73.21 C ATOM 553 SD MET A 33 8.277 -5.043 -5.991 1.00 40.24 S ATOM 554 CE MET A 33 8.212 -6.299 -4.712 1.00 13.31 C ATOM 0 H MET A 33 5.533 -5.970 -6.262 1.00 21.05 H new ATOM 0 HA MET A 33 5.766 -5.138 -3.604 1.00 1.31 H new ATOM 0 HB2 MET A 33 5.605 -3.614 -6.198 1.00 4.51 H new ATOM 0 HB3 MET A 33 5.613 -2.763 -4.666 1.00 4.51 H new ATOM 0 HG2 MET A 33 7.812 -2.737 -5.676 1.00 73.21 H new ATOM 0 HG3 MET A 33 7.842 -3.605 -4.154 1.00 73.21 H new ATOM 0 HE1 MET A 33 8.877 -7.122 -4.976 1.00 13.31 H new ATOM 0 HE2 MET A 33 8.527 -5.868 -3.762 1.00 13.31 H new ATOM 0 HE3 MET A 33 7.192 -6.672 -4.620 1.00 13.31 H new ATOM 564 N VAL A 34 3.746 -3.708 -3.120 1.00 63.13 N ATOM 565 CA VAL A 34 2.519 -3.152 -2.707 1.00 41.41 C ATOM 566 C VAL A 34 2.443 -1.750 -3.244 1.00 22.10 C ATOM 567 O VAL A 34 3.211 -0.871 -2.829 1.00 3.25 O ATOM 568 CB VAL A 34 2.406 -3.137 -1.177 1.00 11.13 C ATOM 569 CG1 VAL A 34 1.087 -2.524 -0.738 1.00 70.10 C ATOM 570 CG2 VAL A 34 2.559 -4.550 -0.627 1.00 4.54 C ATOM 0 H VAL A 34 4.530 -3.507 -2.499 1.00 63.13 H new ATOM 0 HA VAL A 34 1.696 -3.756 -3.089 1.00 41.41 H new ATOM 0 HB VAL A 34 3.209 -2.520 -0.775 1.00 11.13 H new ATOM 0 HG11 VAL A 34 1.030 -2.524 0.351 1.00 70.10 H new ATOM 0 HG12 VAL A 34 1.022 -1.499 -1.104 1.00 70.10 H new ATOM 0 HG13 VAL A 34 0.261 -3.108 -1.145 1.00 70.10 H new ATOM 0 HG21 VAL A 34 2.477 -4.528 0.460 1.00 4.54 H new ATOM 0 HG22 VAL A 34 1.775 -5.187 -1.037 1.00 4.54 H new ATOM 0 HG23 VAL A 34 3.534 -4.947 -0.910 1.00 4.54 H new ATOM 580 N ILE A 35 1.567 -1.554 -4.178 1.00 14.13 N ATOM 581 CA ILE A 35 1.381 -0.284 -4.793 1.00 14.50 C ATOM 582 C ILE A 35 0.255 0.418 -4.092 1.00 14.12 C ATOM 583 O ILE A 35 -0.881 -0.075 -4.057 1.00 22.25 O ATOM 584 CB ILE A 35 1.027 -0.440 -6.287 1.00 72.32 C ATOM 585 CG1 ILE A 35 2.101 -1.253 -7.031 1.00 64.32 C ATOM 586 CG2 ILE A 35 0.812 0.912 -6.946 1.00 13.33 C ATOM 587 CD1 ILE A 35 3.501 -0.652 -6.990 1.00 12.54 C ATOM 0 H ILE A 35 0.953 -2.285 -4.538 1.00 14.13 H new ATOM 0 HA ILE A 35 2.306 0.288 -4.718 1.00 14.50 H new ATOM 0 HB ILE A 35 0.089 -0.992 -6.348 1.00 72.32 H new ATOM 0 HG12 ILE A 35 2.139 -2.255 -6.604 1.00 64.32 H new ATOM 0 HG13 ILE A 35 1.798 -1.361 -8.072 1.00 64.32 H new ATOM 0 HG21 ILE A 35 0.564 0.769 -7.998 1.00 13.33 H new ATOM 0 HG22 ILE A 35 -0.006 1.433 -6.448 1.00 13.33 H new ATOM 0 HG23 ILE A 35 1.723 1.505 -6.865 1.00 13.33 H new ATOM 0 HD11 ILE A 35 4.189 -1.294 -7.540 1.00 12.54 H new ATOM 0 HD12 ILE A 35 3.485 0.338 -7.446 1.00 12.54 H new ATOM 0 HD13 ILE A 35 3.831 -0.570 -5.955 1.00 12.54 H new ATOM 599 N ILE A 36 0.572 1.527 -3.514 1.00 44.24 N ATOM 600 CA ILE A 36 -0.372 2.310 -2.779 1.00 2.32 C ATOM 601 C ILE A 36 -0.659 3.599 -3.511 1.00 45.05 C ATOM 602 O ILE A 36 0.223 4.448 -3.677 1.00 4.13 O ATOM 603 CB ILE A 36 0.152 2.607 -1.350 1.00 44.42 C ATOM 604 CG1 ILE A 36 0.297 1.301 -0.554 1.00 42.42 C ATOM 605 CG2 ILE A 36 -0.749 3.600 -0.614 1.00 41.52 C ATOM 606 CD1 ILE A 36 -1.008 0.578 -0.300 1.00 54.13 C ATOM 0 H ILE A 36 1.511 1.925 -3.538 1.00 44.24 H new ATOM 0 HA ILE A 36 -1.297 1.740 -2.690 1.00 2.32 H new ATOM 0 HB ILE A 36 1.134 3.070 -1.442 1.00 44.42 H new ATOM 0 HG12 ILE A 36 0.970 0.634 -1.093 1.00 42.42 H new ATOM 0 HG13 ILE A 36 0.768 1.523 0.404 1.00 42.42 H new ATOM 0 HG21 ILE A 36 -0.350 3.783 0.384 1.00 41.52 H new ATOM 0 HG22 ILE A 36 -0.786 4.538 -1.168 1.00 41.52 H new ATOM 0 HG23 ILE A 36 -1.755 3.187 -0.532 1.00 41.52 H new ATOM 0 HD11 ILE A 36 -0.815 -0.333 0.267 1.00 54.13 H new ATOM 0 HD12 ILE A 36 -1.677 1.224 0.268 1.00 54.13 H new ATOM 0 HD13 ILE A 36 -1.473 0.321 -1.252 1.00 54.13 H new ATOM 618 N THR A 37 -1.864 3.734 -3.950 1.00 1.25 N ATOM 619 CA THR A 37 -2.294 4.906 -4.637 1.00 53.22 C ATOM 620 C THR A 37 -2.973 5.814 -3.625 1.00 52.14 C ATOM 621 O THR A 37 -3.833 5.365 -2.872 1.00 4.11 O ATOM 622 CB THR A 37 -3.302 4.526 -5.726 1.00 62.23 C ATOM 623 OG1 THR A 37 -2.718 3.549 -6.593 1.00 60.15 O ATOM 624 CG2 THR A 37 -3.717 5.734 -6.542 1.00 1.42 C ATOM 0 H THR A 37 -2.589 3.024 -3.841 1.00 1.25 H new ATOM 0 HA THR A 37 -1.444 5.407 -5.100 1.00 53.22 H new ATOM 0 HB THR A 37 -4.190 4.120 -5.241 1.00 62.23 H new ATOM 0 HG1 THR A 37 -3.203 3.535 -7.444 1.00 60.15 H new ATOM 0 HG21 THR A 37 -4.433 5.429 -7.306 1.00 1.42 H new ATOM 0 HG22 THR A 37 -4.178 6.474 -5.888 1.00 1.42 H new ATOM 0 HG23 THR A 37 -2.839 6.169 -7.020 1.00 1.42 H new ATOM 632 N THR A 38 -2.578 7.057 -3.587 1.00 73.32 N ATOM 633 CA THR A 38 -3.155 7.995 -2.650 1.00 63.44 C ATOM 634 C THR A 38 -4.480 8.546 -3.160 1.00 72.41 C ATOM 635 O THR A 38 -4.764 8.469 -4.360 1.00 53.24 O ATOM 636 CB THR A 38 -2.176 9.123 -2.372 1.00 43.43 C ATOM 637 OG1 THR A 38 -1.747 9.701 -3.623 1.00 43.10 O ATOM 638 CG2 THR A 38 -0.983 8.588 -1.616 1.00 15.25 C ATOM 0 H THR A 38 -1.858 7.449 -4.193 1.00 73.32 H new ATOM 0 HA THR A 38 -3.357 7.465 -1.719 1.00 63.44 H new ATOM 0 HB THR A 38 -2.663 9.889 -1.768 1.00 43.43 H new ATOM 0 HG1 THR A 38 -0.807 9.474 -3.783 1.00 43.10 H new ATOM 0 HG21 THR A 38 -0.283 9.400 -1.419 1.00 15.25 H new ATOM 0 HG22 THR A 38 -1.314 8.157 -0.671 1.00 15.25 H new ATOM 0 HG23 THR A 38 -0.489 7.820 -2.212 1.00 15.25 H new ATOM 646 N LYS A 39 -5.270 9.100 -2.265 1.00 74.12 N ATOM 647 CA LYS A 39 -6.583 9.586 -2.607 1.00 42.41 C ATOM 648 C LYS A 39 -6.518 10.883 -3.386 1.00 71.24 C ATOM 649 O LYS A 39 -7.130 10.977 -4.452 1.00 74.12 O ATOM 650 CB LYS A 39 -7.433 9.748 -1.341 1.00 15.21 C ATOM 651 CG LYS A 39 -8.866 10.219 -1.586 1.00 63.20 C ATOM 652 CD LYS A 39 -9.632 10.407 -0.276 1.00 4.52 C ATOM 653 CE LYS A 39 -9.758 9.108 0.508 1.00 32.44 C ATOM 654 NZ LYS A 39 -10.463 9.306 1.787 1.00 14.11 N ATOM 0 H LYS A 39 -5.018 9.224 -1.284 1.00 74.12 H new ATOM 0 HA LYS A 39 -7.055 8.848 -3.255 1.00 42.41 H new ATOM 0 HB2 LYS A 39 -7.464 8.793 -0.817 1.00 15.21 H new ATOM 0 HB3 LYS A 39 -6.940 10.459 -0.678 1.00 15.21 H new ATOM 0 HG2 LYS A 39 -8.851 11.160 -2.137 1.00 63.20 H new ATOM 0 HG3 LYS A 39 -9.386 9.493 -2.210 1.00 63.20 H new ATOM 0 HD2 LYS A 39 -9.123 11.151 0.337 1.00 4.52 H new ATOM 0 HD3 LYS A 39 -10.627 10.797 -0.491 1.00 4.52 H new ATOM 0 HE2 LYS A 39 -10.293 8.372 -0.092 1.00 32.44 H new ATOM 0 HE3 LYS A 39 -8.765 8.701 0.700 1.00 32.44 H new ATOM 0 HZ1 LYS A 39 -9.871 8.957 2.567 1.00 14.11 H new ATOM 0 HZ2 LYS A 39 -10.655 10.319 1.925 1.00 14.11 H new ATOM 0 HZ3 LYS A 39 -11.361 8.782 1.773 1.00 14.11 H new ATOM 668 N SER A 40 -5.735 11.841 -2.904 1.00 70.10 N ATOM 669 CA SER A 40 -5.610 13.129 -3.570 1.00 11.43 C ATOM 670 C SER A 40 -4.640 14.041 -2.827 1.00 44.31 C ATOM 671 O SER A 40 -3.685 14.557 -3.427 1.00 54.30 O ATOM 672 CB SER A 40 -6.987 13.826 -3.703 1.00 32.14 C ATOM 673 OG SER A 40 -6.886 15.040 -4.431 1.00 33.45 O ATOM 0 H SER A 40 -5.178 11.749 -2.055 1.00 70.10 H new ATOM 0 HA SER A 40 -5.216 12.939 -4.569 1.00 11.43 H new ATOM 0 HB2 SER A 40 -7.688 13.158 -4.203 1.00 32.14 H new ATOM 0 HB3 SER A 40 -7.392 14.028 -2.711 1.00 32.14 H new ATOM 0 HG SER A 40 -7.771 15.455 -4.499 1.00 33.45 H new ATOM 679 N VAL A 41 -4.853 14.224 -1.522 1.00 11.11 N ATOM 680 CA VAL A 41 -4.053 15.175 -0.751 1.00 13.04 C ATOM 681 C VAL A 41 -2.701 14.584 -0.333 1.00 45.30 C ATOM 682 O VAL A 41 -2.444 14.270 0.837 1.00 64.42 O ATOM 683 CB VAL A 41 -4.817 15.780 0.468 1.00 41.40 C ATOM 684 CG1 VAL A 41 -3.997 16.878 1.149 1.00 10.24 C ATOM 685 CG2 VAL A 41 -6.170 16.319 0.035 1.00 73.43 C ATOM 0 H VAL A 41 -5.565 13.732 -0.983 1.00 11.11 H new ATOM 0 HA VAL A 41 -3.854 16.007 -1.427 1.00 13.04 H new ATOM 0 HB VAL A 41 -4.974 14.981 1.193 1.00 41.40 H new ATOM 0 HG11 VAL A 41 -4.557 17.279 1.994 1.00 10.24 H new ATOM 0 HG12 VAL A 41 -3.054 16.461 1.503 1.00 10.24 H new ATOM 0 HG13 VAL A 41 -3.795 17.677 0.435 1.00 10.24 H new ATOM 0 HG21 VAL A 41 -6.688 16.737 0.898 1.00 73.43 H new ATOM 0 HG22 VAL A 41 -6.029 17.097 -0.715 1.00 73.43 H new ATOM 0 HG23 VAL A 41 -6.765 15.510 -0.389 1.00 73.43 H new ATOM 695 N SER A 42 -1.935 14.296 -1.321 1.00 13.52 N ATOM 696 CA SER A 42 -0.584 13.908 -1.196 1.00 71.13 C ATOM 697 C SER A 42 0.199 14.788 -2.153 1.00 53.04 C ATOM 698 O SER A 42 -0.411 15.549 -2.918 1.00 64.33 O ATOM 699 CB SER A 42 -0.432 12.428 -1.555 1.00 63.42 C ATOM 700 OG SER A 42 -0.884 12.175 -2.884 1.00 32.43 O ATOM 0 H SER A 42 -2.254 14.327 -2.289 1.00 13.52 H new ATOM 0 HA SER A 42 -0.218 14.028 -0.176 1.00 71.13 H new ATOM 0 HB2 SER A 42 0.613 12.133 -1.460 1.00 63.42 H new ATOM 0 HB3 SER A 42 -1.000 11.819 -0.852 1.00 63.42 H new ATOM 0 HG SER A 42 -1.092 11.222 -2.983 1.00 32.43 H new ATOM 706 N ARG A 43 1.508 14.703 -2.151 1.00 34.24 N ATOM 707 CA ARG A 43 2.284 15.424 -3.151 1.00 55.33 C ATOM 708 C ARG A 43 2.256 14.607 -4.449 1.00 44.12 C ATOM 709 O ARG A 43 2.630 15.071 -5.525 1.00 73.54 O ATOM 710 CB ARG A 43 3.724 15.649 -2.673 1.00 52.33 C ATOM 711 CG ARG A 43 4.531 16.564 -3.578 1.00 1.12 C ATOM 712 CD ARG A 43 5.902 16.849 -3.009 1.00 71.42 C ATOM 713 NE ARG A 43 6.626 17.837 -3.815 1.00 32.33 N ATOM 714 CZ ARG A 43 7.476 18.745 -3.319 1.00 41.31 C ATOM 715 NH1 ARG A 43 7.775 18.746 -2.020 1.00 34.44 N ATOM 716 NH2 ARG A 43 8.040 19.639 -4.125 1.00 42.32 N ATOM 0 H ARG A 43 2.056 14.156 -1.487 1.00 34.24 H new ATOM 0 HA ARG A 43 1.850 16.409 -3.321 1.00 55.33 H new ATOM 0 HB2 ARG A 43 3.702 16.073 -1.669 1.00 52.33 H new ATOM 0 HB3 ARG A 43 4.229 14.686 -2.602 1.00 52.33 H new ATOM 0 HG2 ARG A 43 4.634 16.105 -4.561 1.00 1.12 H new ATOM 0 HG3 ARG A 43 3.994 17.502 -3.719 1.00 1.12 H new ATOM 0 HD2 ARG A 43 5.804 17.214 -1.987 1.00 71.42 H new ATOM 0 HD3 ARG A 43 6.477 15.924 -2.963 1.00 71.42 H new ATOM 0 HE ARG A 43 6.471 17.832 -4.823 1.00 32.33 H new ATOM 0 HH11 ARG A 43 7.356 18.053 -1.400 1.00 34.44 H new ATOM 0 HH12 ARG A 43 8.423 19.439 -1.646 1.00 34.44 H new ATOM 0 HH21 ARG A 43 7.825 19.634 -5.122 1.00 42.32 H new ATOM 0 HH22 ARG A 43 8.687 20.330 -3.746 1.00 42.32 H new ATOM 730 N TYR A 44 1.772 13.388 -4.307 1.00 11.20 N ATOM 731 CA TYR A 44 1.646 12.439 -5.381 1.00 11.44 C ATOM 732 C TYR A 44 0.396 12.688 -6.200 1.00 51.25 C ATOM 733 O TYR A 44 0.398 12.471 -7.401 1.00 42.03 O ATOM 734 CB TYR A 44 1.687 11.011 -4.828 1.00 21.42 C ATOM 735 CG TYR A 44 3.055 10.611 -4.323 1.00 43.35 C ATOM 736 CD1 TYR A 44 3.560 11.104 -3.127 1.00 35.23 C ATOM 737 CD2 TYR A 44 3.853 9.757 -5.063 1.00 14.14 C ATOM 738 CE1 TYR A 44 4.819 10.754 -2.689 1.00 13.13 C ATOM 739 CE2 TYR A 44 5.109 9.401 -4.634 1.00 41.41 C ATOM 740 CZ TYR A 44 5.591 9.902 -3.449 1.00 12.20 C ATOM 741 OH TYR A 44 6.846 9.541 -3.014 1.00 72.15 O ATOM 0 H TYR A 44 1.447 13.026 -3.410 1.00 11.20 H new ATOM 0 HA TYR A 44 2.492 12.568 -6.056 1.00 11.44 H new ATOM 0 HB2 TYR A 44 0.966 10.921 -4.016 1.00 21.42 H new ATOM 0 HB3 TYR A 44 1.377 10.316 -5.608 1.00 21.42 H new ATOM 0 HD1 TYR A 44 2.957 11.772 -2.531 1.00 35.23 H new ATOM 0 HD2 TYR A 44 3.481 9.362 -5.997 1.00 14.14 H new ATOM 0 HE1 TYR A 44 5.198 11.145 -1.756 1.00 13.13 H new ATOM 0 HE2 TYR A 44 5.714 8.730 -5.226 1.00 41.41 H new ATOM 0 HH TYR A 44 7.256 8.935 -3.666 1.00 72.15 H new ATOM 751 N ARG A 45 -0.681 13.136 -5.534 1.00 45.40 N ATOM 752 CA ARG A 45 -1.946 13.498 -6.211 1.00 73.40 C ATOM 753 C ARG A 45 -2.534 12.285 -6.930 1.00 13.11 C ATOM 754 O ARG A 45 -3.176 12.401 -7.975 1.00 72.55 O ATOM 755 CB ARG A 45 -1.696 14.646 -7.197 1.00 3.42 C ATOM 756 CG ARG A 45 -1.125 15.881 -6.535 1.00 0.54 C ATOM 757 CD ARG A 45 -0.789 16.949 -7.542 1.00 34.21 C ATOM 758 NE ARG A 45 -0.174 18.107 -6.896 1.00 62.10 N ATOM 759 CZ ARG A 45 0.712 18.919 -7.467 1.00 23.41 C ATOM 760 NH1 ARG A 45 1.090 18.723 -8.725 1.00 62.03 N ATOM 761 NH2 ARG A 45 1.223 19.919 -6.780 1.00 73.20 N ATOM 0 H ARG A 45 -0.704 13.258 -4.522 1.00 45.40 H new ATOM 0 HA ARG A 45 -2.667 13.829 -5.464 1.00 73.40 H new ATOM 0 HB2 ARG A 45 -1.011 14.307 -7.974 1.00 3.42 H new ATOM 0 HB3 ARG A 45 -2.633 14.905 -7.690 1.00 3.42 H new ATOM 0 HG2 ARG A 45 -1.844 16.273 -5.815 1.00 0.54 H new ATOM 0 HG3 ARG A 45 -0.228 15.613 -5.976 1.00 0.54 H new ATOM 0 HD2 ARG A 45 -0.110 16.545 -8.293 1.00 34.21 H new ATOM 0 HD3 ARG A 45 -1.694 17.258 -8.064 1.00 34.21 H new ATOM 0 HE ARG A 45 -0.445 18.308 -5.933 1.00 62.10 H new ATOM 0 HH11 ARG A 45 0.701 17.946 -9.259 1.00 62.03 H new ATOM 0 HH12 ARG A 45 1.770 19.349 -9.157 1.00 62.03 H new ATOM 0 HH21 ARG A 45 0.940 20.070 -5.812 1.00 73.20 H new ATOM 0 HH22 ARG A 45 1.902 20.543 -7.216 1.00 73.20 H new ATOM 775 N GLY A 46 -2.392 11.139 -6.307 1.00 70.54 N ATOM 776 CA GLY A 46 -2.866 9.904 -6.894 1.00 14.53 C ATOM 777 C GLY A 46 -1.754 9.077 -7.507 1.00 45.41 C ATOM 778 O GLY A 46 -2.009 8.015 -8.064 1.00 54.01 O ATOM 0 H GLY A 46 -1.952 11.034 -5.393 1.00 70.54 H new ATOM 0 HA2 GLY A 46 -3.371 9.314 -6.129 1.00 14.53 H new ATOM 0 HA3 GLY A 46 -3.607 10.133 -7.660 1.00 14.53 H new ATOM 782 N GLN A 47 -0.532 9.564 -7.409 1.00 43.30 N ATOM 783 CA GLN A 47 0.633 8.787 -7.804 1.00 24.20 C ATOM 784 C GLN A 47 0.955 7.706 -6.778 1.00 64.53 C ATOM 785 O GLN A 47 0.534 7.786 -5.605 1.00 73.34 O ATOM 786 CB GLN A 47 1.851 9.621 -8.211 1.00 24.11 C ATOM 787 CG GLN A 47 1.623 10.427 -9.478 1.00 20.44 C ATOM 788 CD GLN A 47 2.858 11.167 -9.938 1.00 54.34 C ATOM 789 OE1 GLN A 47 3.706 11.559 -9.138 1.00 24.40 O ATOM 790 NE2 GLN A 47 2.971 11.354 -11.225 1.00 25.12 N ATOM 0 H GLN A 47 -0.317 10.497 -7.058 1.00 43.30 H new ATOM 0 HA GLN A 47 0.352 8.283 -8.729 1.00 24.20 H new ATOM 0 HB2 GLN A 47 2.108 10.299 -7.397 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.705 8.959 -8.357 1.00 24.11 H new ATOM 0 HG2 GLN A 47 1.290 9.759 -10.272 1.00 20.44 H new ATOM 0 HG3 GLN A 47 0.820 11.144 -9.306 1.00 20.44 H new ATOM 0 HE21 GLN A 47 2.245 11.013 -11.856 1.00 25.12 H new ATOM 0 HE22 GLN A 47 3.785 11.841 -11.600 1.00 25.12 H new ATOM 799 N GLU A 48 1.688 6.722 -7.208 1.00 43.24 N ATOM 800 CA GLU A 48 1.864 5.490 -6.469 1.00 61.52 C ATOM 801 C GLU A 48 3.030 5.520 -5.499 1.00 24.22 C ATOM 802 O GLU A 48 4.087 6.111 -5.759 1.00 3.44 O ATOM 803 CB GLU A 48 2.188 4.404 -7.469 1.00 53.52 C ATOM 804 CG GLU A 48 1.178 4.233 -8.564 1.00 50.50 C ATOM 805 CD GLU A 48 1.727 3.403 -9.685 1.00 1.43 C ATOM 806 OE1 GLU A 48 2.529 3.942 -10.487 1.00 24.32 O ATOM 807 OE2 GLU A 48 1.374 2.233 -9.810 1.00 74.12 O ATOM 0 H GLU A 48 2.191 6.745 -8.095 1.00 43.24 H new ATOM 0 HA GLU A 48 0.947 5.328 -5.902 1.00 61.52 H new ATOM 0 HB2 GLU A 48 3.157 4.622 -7.919 1.00 53.52 H new ATOM 0 HB3 GLU A 48 2.289 3.458 -6.937 1.00 53.52 H new ATOM 0 HG2 GLU A 48 0.281 3.760 -8.164 1.00 50.50 H new ATOM 0 HG3 GLU A 48 0.881 5.211 -8.944 1.00 50.50 H new ATOM 814 N HIS A 49 2.803 4.886 -4.381 1.00 53.53 N ATOM 815 CA HIS A 49 3.818 4.576 -3.403 1.00 14.01 C ATOM 816 C HIS A 49 4.062 3.110 -3.479 1.00 54.31 C ATOM 817 O HIS A 49 3.186 2.367 -3.923 1.00 74.34 O ATOM 818 CB HIS A 49 3.391 4.919 -1.973 1.00 62.14 C ATOM 819 CG HIS A 49 3.319 6.362 -1.658 1.00 32.53 C ATOM 820 ND1 HIS A 49 2.335 7.258 -1.836 1.00 1.54 N flip ATOM 821 CD2 HIS A 49 4.329 7.029 -1.013 1.00 13.31 C flip ATOM 822 CE1 HIS A 49 2.761 8.436 -1.292 1.00 61.23 C flip ATOM 823 NE2 HIS A 49 3.969 8.263 -0.802 1.00 5.14 N flip ATOM 0 H HIS A 49 1.875 4.558 -4.114 1.00 53.53 H new ATOM 0 HA HIS A 49 4.705 5.169 -3.625 1.00 14.01 H new ATOM 0 HB2 HIS A 49 2.412 4.476 -1.789 1.00 62.14 H new ATOM 0 HB3 HIS A 49 4.090 4.448 -1.281 1.00 62.14 H new ATOM 0 HD2 HIS A 49 5.276 6.598 -0.725 1.00 13.31 H new ATOM 0 HE1 HIS A 49 2.199 9.358 -1.268 1.00 61.23 H new ATOM 0 HE2 HIS A 49 4.530 8.976 -0.335 1.00 5.14 H new ATOM 832 N CYS A 50 5.195 2.682 -3.070 1.00 12.11 N ATOM 833 CA CYS A 50 5.504 1.293 -3.118 1.00 23.22 C ATOM 834 C CYS A 50 6.098 0.820 -1.810 1.00 1.33 C ATOM 835 O CYS A 50 7.069 1.380 -1.311 1.00 41.24 O ATOM 836 CB CYS A 50 6.427 1.025 -4.298 1.00 73.51 C ATOM 837 SG CYS A 50 7.828 2.186 -4.401 1.00 64.31 S ATOM 0 H CYS A 50 5.935 3.274 -2.694 1.00 12.11 H new ATOM 0 HA CYS A 50 4.587 0.722 -3.262 1.00 23.22 H new ATOM 0 HB2 CYS A 50 6.812 0.008 -4.224 1.00 73.51 H new ATOM 0 HB3 CYS A 50 5.850 1.081 -5.221 1.00 73.51 H new ATOM 0 HG CYS A 50 8.564 1.887 -5.430 1.00 64.31 H new ATOM 842 N LEU A 51 5.498 -0.197 -1.261 1.00 24.35 N ATOM 843 CA LEU A 51 5.937 -0.778 -0.023 1.00 3.02 C ATOM 844 C LEU A 51 6.476 -2.171 -0.304 1.00 63.34 C ATOM 845 O LEU A 51 5.863 -2.944 -1.060 1.00 12.21 O ATOM 846 CB LEU A 51 4.765 -0.789 0.990 1.00 44.44 C ATOM 847 CG LEU A 51 5.015 -1.378 2.384 1.00 64.13 C ATOM 848 CD1 LEU A 51 6.184 -0.694 3.068 1.00 54.22 C ATOM 849 CD2 LEU A 51 3.762 -1.221 3.234 1.00 41.43 C ATOM 0 H LEU A 51 4.680 -0.652 -1.665 1.00 24.35 H new ATOM 0 HA LEU A 51 6.739 -0.190 0.422 1.00 3.02 H new ATOM 0 HB2 LEU A 51 4.427 0.239 1.119 1.00 44.44 H new ATOM 0 HB3 LEU A 51 3.940 -1.341 0.539 1.00 44.44 H new ATOM 0 HG LEU A 51 5.258 -2.435 2.271 1.00 64.13 H new ATOM 0 HD11 LEU A 51 6.336 -1.133 4.054 1.00 54.22 H new ATOM 0 HD12 LEU A 51 7.085 -0.827 2.469 1.00 54.22 H new ATOM 0 HD13 LEU A 51 5.972 0.370 3.174 1.00 54.22 H new ATOM 0 HD21 LEU A 51 3.940 -1.640 4.225 1.00 41.43 H new ATOM 0 HD22 LEU A 51 3.515 -0.163 3.326 1.00 41.43 H new ATOM 0 HD23 LEU A 51 2.933 -1.748 2.761 1.00 41.43 H new ATOM 861 N HIS A 52 7.633 -2.480 0.257 1.00 32.22 N ATOM 862 CA HIS A 52 8.273 -3.763 0.024 1.00 61.45 C ATOM 863 C HIS A 52 7.589 -4.831 0.903 1.00 1.43 C ATOM 864 O HIS A 52 7.577 -4.720 2.128 1.00 2.20 O ATOM 865 CB HIS A 52 9.794 -3.661 0.299 1.00 55.43 C ATOM 866 CG HIS A 52 10.601 -4.862 -0.134 1.00 31.35 C ATOM 867 ND1 HIS A 52 11.250 -5.699 0.742 1.00 4.14 N ATOM 868 CD2 HIS A 52 10.884 -5.341 -1.377 1.00 3.40 C ATOM 869 CE1 HIS A 52 11.884 -6.639 0.064 1.00 23.20 C ATOM 870 NE2 HIS A 52 11.676 -6.437 -1.214 1.00 35.33 N ATOM 0 H HIS A 52 8.149 -1.858 0.879 1.00 32.22 H new ATOM 0 HA HIS A 52 8.160 -4.058 -1.019 1.00 61.45 H new ATOM 0 HB2 HIS A 52 10.182 -2.778 -0.210 1.00 55.43 H new ATOM 0 HB3 HIS A 52 9.946 -3.506 1.367 1.00 55.43 H new ATOM 0 HD2 HIS A 52 10.544 -4.929 -2.316 1.00 3.40 H new ATOM 0 HE1 HIS A 52 12.473 -7.438 0.490 1.00 23.20 H new ATOM 0 HE2 HIS A 52 12.049 -7.012 -1.970 1.00 35.33 H new ATOM 879 N PRO A 53 7.016 -5.875 0.273 1.00 1.44 N ATOM 880 CA PRO A 53 6.195 -6.914 0.960 1.00 72.11 C ATOM 881 C PRO A 53 6.953 -7.819 1.931 1.00 31.52 C ATOM 882 O PRO A 53 6.365 -8.688 2.545 1.00 24.53 O ATOM 883 CB PRO A 53 5.630 -7.739 -0.191 1.00 30.54 C ATOM 884 CG PRO A 53 6.586 -7.530 -1.307 1.00 74.33 C ATOM 885 CD PRO A 53 7.089 -6.130 -1.175 1.00 10.13 C ATOM 0 HA PRO A 53 5.453 -6.434 1.598 1.00 72.11 H new ATOM 0 HB2 PRO A 53 5.557 -8.793 0.076 1.00 30.54 H new ATOM 0 HB3 PRO A 53 4.627 -7.408 -0.461 1.00 30.54 H new ATOM 0 HG2 PRO A 53 7.407 -8.244 -1.254 1.00 74.33 H new ATOM 0 HG3 PRO A 53 6.097 -7.678 -2.270 1.00 74.33 H new ATOM 0 HD2 PRO A 53 8.108 -6.033 -1.549 1.00 10.13 H new ATOM 0 HD3 PRO A 53 6.474 -5.428 -1.738 1.00 10.13 H new ATOM 893 N LYS A 54 8.237 -7.616 2.064 1.00 53.51 N ATOM 894 CA LYS A 54 9.029 -8.410 2.987 1.00 34.03 C ATOM 895 C LYS A 54 8.924 -7.930 4.422 1.00 72.42 C ATOM 896 O LYS A 54 9.332 -8.622 5.349 1.00 63.12 O ATOM 897 CB LYS A 54 10.479 -8.594 2.549 1.00 11.10 C ATOM 898 CG LYS A 54 10.651 -9.699 1.523 1.00 0.44 C ATOM 899 CD LYS A 54 9.894 -9.440 0.244 1.00 65.43 C ATOM 900 CE LYS A 54 9.837 -10.675 -0.619 1.00 52.11 C ATOM 901 NZ LYS A 54 11.154 -11.305 -0.796 1.00 40.32 N ATOM 0 H LYS A 54 8.763 -6.910 1.549 1.00 53.51 H new ATOM 0 HA LYS A 54 8.580 -9.403 2.956 1.00 34.03 H new ATOM 0 HB2 LYS A 54 10.849 -7.657 2.132 1.00 11.10 H new ATOM 0 HB3 LYS A 54 11.091 -8.818 3.423 1.00 11.10 H new ATOM 0 HG2 LYS A 54 11.711 -9.813 1.295 1.00 0.44 H new ATOM 0 HG3 LYS A 54 10.314 -10.642 1.953 1.00 0.44 H new ATOM 0 HD2 LYS A 54 8.882 -9.111 0.478 1.00 65.43 H new ATOM 0 HD3 LYS A 54 10.373 -8.631 -0.307 1.00 65.43 H new ATOM 0 HE2 LYS A 54 9.152 -11.395 -0.171 1.00 52.11 H new ATOM 0 HE3 LYS A 54 9.430 -10.412 -1.596 1.00 52.11 H new ATOM 0 HZ1 LYS A 54 11.103 -12.007 -1.562 1.00 40.32 H new ATOM 0 HZ2 LYS A 54 11.857 -10.578 -1.039 1.00 40.32 H new ATOM 0 HZ3 LYS A 54 11.435 -11.776 0.088 1.00 40.32 H new ATOM 915 N LEU A 55 8.378 -6.745 4.598 1.00 61.31 N ATOM 916 CA LEU A 55 8.212 -6.174 5.920 1.00 51.14 C ATOM 917 C LEU A 55 6.939 -6.717 6.541 1.00 1.45 C ATOM 918 O LEU A 55 5.924 -6.874 5.858 1.00 64.42 O ATOM 919 CB LEU A 55 8.115 -4.648 5.830 1.00 53.41 C ATOM 920 CG LEU A 55 9.317 -3.919 5.231 1.00 53.24 C ATOM 921 CD1 LEU A 55 9.038 -2.430 5.135 1.00 10.14 C ATOM 922 CD2 LEU A 55 10.551 -4.166 6.071 1.00 32.41 C ATOM 0 H LEU A 55 8.040 -6.155 3.838 1.00 61.31 H new ATOM 0 HA LEU A 55 9.073 -6.441 6.533 1.00 51.14 H new ATOM 0 HB2 LEU A 55 7.235 -4.397 5.238 1.00 53.41 H new ATOM 0 HB3 LEU A 55 7.946 -4.258 6.834 1.00 53.41 H new ATOM 0 HG LEU A 55 9.493 -4.306 4.227 1.00 53.24 H new ATOM 0 HD11 LEU A 55 9.903 -1.925 4.706 1.00 10.14 H new ATOM 0 HD12 LEU A 55 8.169 -2.263 4.499 1.00 10.14 H new ATOM 0 HD13 LEU A 55 8.841 -2.032 6.130 1.00 10.14 H new ATOM 0 HD21 LEU A 55 11.400 -3.641 5.633 1.00 32.41 H new ATOM 0 HD22 LEU A 55 10.381 -3.800 7.084 1.00 32.41 H new ATOM 0 HD23 LEU A 55 10.762 -5.235 6.102 1.00 32.41 H new ATOM 934 N GLN A 56 6.982 -7.000 7.820 1.00 63.20 N ATOM 935 CA GLN A 56 5.824 -7.537 8.511 1.00 2.12 C ATOM 936 C GLN A 56 4.787 -6.469 8.720 1.00 41.35 C ATOM 937 O GLN A 56 3.584 -6.754 8.794 1.00 25.34 O ATOM 938 CB GLN A 56 6.207 -8.225 9.808 1.00 30.23 C ATOM 939 CG GLN A 56 7.179 -9.368 9.594 1.00 62.24 C ATOM 940 CD GLN A 56 6.657 -10.415 8.622 1.00 50.24 C ATOM 941 OE1 GLN A 56 5.446 -10.645 8.506 1.00 74.33 O ATOM 942 NE2 GLN A 56 7.559 -11.035 7.905 1.00 21.21 N ATOM 0 H GLN A 56 7.805 -6.869 8.408 1.00 63.20 H new ATOM 0 HA GLN A 56 5.382 -8.305 7.876 1.00 2.12 H new ATOM 0 HB2 GLN A 56 6.652 -7.496 10.485 1.00 30.23 H new ATOM 0 HB3 GLN A 56 5.308 -8.603 10.294 1.00 30.23 H new ATOM 0 HG2 GLN A 56 8.123 -8.971 9.220 1.00 62.24 H new ATOM 0 HG3 GLN A 56 7.391 -9.843 10.552 1.00 62.24 H new ATOM 0 HE21 GLN A 56 8.548 -10.817 8.030 1.00 21.21 H new ATOM 0 HE22 GLN A 56 7.273 -11.736 7.221 1.00 21.21 H new ATOM 951 N SER A 57 5.254 -5.233 8.808 1.00 42.34 N ATOM 952 CA SER A 57 4.389 -4.081 8.912 1.00 41.21 C ATOM 953 C SER A 57 3.453 -4.046 7.686 1.00 53.41 C ATOM 954 O SER A 57 2.284 -3.651 7.785 1.00 1.14 O ATOM 955 CB SER A 57 5.253 -2.825 8.930 1.00 11.35 C ATOM 956 OG SER A 57 6.270 -2.932 9.916 1.00 0.54 O ATOM 0 H SER A 57 6.248 -5.006 8.809 1.00 42.34 H new ATOM 0 HA SER A 57 3.793 -4.133 9.823 1.00 41.21 H new ATOM 0 HB2 SER A 57 5.704 -2.673 7.949 1.00 11.35 H new ATOM 0 HB3 SER A 57 4.632 -1.953 9.134 1.00 11.35 H new ATOM 0 HG SER A 57 6.816 -2.118 9.912 1.00 0.54 H new ATOM 962 N THR A 58 3.987 -4.493 6.544 1.00 11.23 N ATOM 963 CA THR A 58 3.263 -4.541 5.312 1.00 70.44 C ATOM 964 C THR A 58 2.087 -5.519 5.425 1.00 30.02 C ATOM 965 O THR A 58 0.969 -5.167 5.097 1.00 41.44 O ATOM 966 CB THR A 58 4.193 -4.973 4.163 1.00 34.11 C ATOM 967 OG1 THR A 58 5.380 -4.161 4.193 1.00 23.12 O ATOM 968 CG2 THR A 58 3.502 -4.791 2.820 1.00 74.42 C ATOM 0 H THR A 58 4.947 -4.831 6.470 1.00 11.23 H new ATOM 0 HA THR A 58 2.876 -3.545 5.099 1.00 70.44 H new ATOM 0 HB THR A 58 4.447 -6.025 4.289 1.00 34.11 H new ATOM 0 HG1 THR A 58 5.985 -4.439 3.474 1.00 23.12 H new ATOM 0 HG21 THR A 58 4.174 -5.101 2.020 1.00 74.42 H new ATOM 0 HG22 THR A 58 2.598 -5.399 2.791 1.00 74.42 H new ATOM 0 HG23 THR A 58 3.238 -3.742 2.686 1.00 74.42 H new ATOM 976 N LYS A 59 2.341 -6.741 5.937 1.00 54.31 N ATOM 977 CA LYS A 59 1.271 -7.743 6.090 1.00 22.40 C ATOM 978 C LYS A 59 0.133 -7.217 6.935 1.00 61.32 C ATOM 979 O LYS A 59 -1.043 -7.460 6.628 1.00 72.30 O ATOM 980 CB LYS A 59 1.756 -9.085 6.667 1.00 55.33 C ATOM 981 CG LYS A 59 2.613 -9.946 5.740 1.00 20.52 C ATOM 982 CD LYS A 59 4.002 -9.387 5.507 1.00 43.55 C ATOM 983 CE LYS A 59 4.838 -10.305 4.619 1.00 0.33 C ATOM 984 NZ LYS A 59 5.039 -11.654 5.210 1.00 73.24 N ATOM 0 H LYS A 59 3.262 -7.052 6.246 1.00 54.31 H new ATOM 0 HA LYS A 59 0.919 -7.933 5.076 1.00 22.40 H new ATOM 0 HB2 LYS A 59 2.328 -8.882 7.573 1.00 55.33 H new ATOM 0 HB3 LYS A 59 0.883 -9.666 6.965 1.00 55.33 H new ATOM 0 HG2 LYS A 59 2.699 -10.947 6.164 1.00 20.52 H new ATOM 0 HG3 LYS A 59 2.106 -10.049 4.781 1.00 20.52 H new ATOM 0 HD2 LYS A 59 3.925 -8.403 5.044 1.00 43.55 H new ATOM 0 HD3 LYS A 59 4.505 -9.250 6.464 1.00 43.55 H new ATOM 0 HE2 LYS A 59 4.350 -10.407 3.650 1.00 0.33 H new ATOM 0 HE3 LYS A 59 5.809 -9.844 4.440 1.00 0.33 H new ATOM 0 HZ1 LYS A 59 5.795 -12.150 4.695 1.00 73.24 H new ATOM 0 HZ2 LYS A 59 5.307 -11.558 6.210 1.00 73.24 H new ATOM 0 HZ3 LYS A 59 4.156 -12.199 5.139 1.00 73.24 H new ATOM 998 N ARG A 60 0.471 -6.481 7.987 1.00 0.10 N ATOM 999 CA ARG A 60 -0.523 -5.935 8.869 1.00 42.15 C ATOM 1000 C ARG A 60 -1.335 -4.917 8.095 1.00 71.31 C ATOM 1001 O ARG A 60 -2.539 -4.967 8.087 1.00 32.11 O ATOM 1002 CB ARG A 60 0.142 -5.228 10.039 1.00 10.14 C ATOM 1003 CG ARG A 60 -0.675 -5.215 11.302 1.00 73.22 C ATOM 1004 CD ARG A 60 -0.836 -6.626 11.820 1.00 22.32 C ATOM 1005 NE ARG A 60 -1.506 -6.697 13.107 1.00 23.33 N ATOM 1006 CZ ARG A 60 -1.385 -7.731 13.938 1.00 73.13 C ATOM 1007 NH1 ARG A 60 -0.688 -8.802 13.568 1.00 72.10 N ATOM 1008 NH2 ARG A 60 -1.975 -7.706 15.121 1.00 1.42 N ATOM 0 H ARG A 60 1.433 -6.254 8.241 1.00 0.10 H new ATOM 0 HA ARG A 60 -1.154 -6.740 9.247 1.00 42.15 H new ATOM 0 HB2 ARG A 60 1.098 -5.710 10.244 1.00 10.14 H new ATOM 0 HB3 ARG A 60 0.359 -4.200 9.751 1.00 10.14 H new ATOM 0 HG2 ARG A 60 -0.189 -4.594 12.055 1.00 73.22 H new ATOM 0 HG3 ARG A 60 -1.653 -4.774 11.109 1.00 73.22 H new ATOM 0 HD2 ARG A 60 -1.400 -7.210 11.093 1.00 22.32 H new ATOM 0 HD3 ARG A 60 0.148 -7.088 11.905 1.00 22.32 H new ATOM 0 HE ARG A 60 -2.099 -5.916 13.388 1.00 23.33 H new ATOM 0 HH11 ARG A 60 -0.247 -8.831 12.649 1.00 72.10 H new ATOM 0 HH12 ARG A 60 -0.595 -9.594 14.204 1.00 72.10 H new ATOM 0 HH21 ARG A 60 -2.525 -6.893 15.400 1.00 1.42 H new ATOM 0 HH22 ARG A 60 -1.880 -8.499 15.755 1.00 1.42 H new ATOM 1022 N PHE A 61 -0.627 -4.027 7.414 1.00 23.12 N ATOM 1023 CA PHE A 61 -1.213 -2.938 6.638 1.00 73.00 C ATOM 1024 C PHE A 61 -2.146 -3.476 5.556 1.00 25.23 C ATOM 1025 O PHE A 61 -3.243 -2.961 5.369 1.00 54.11 O ATOM 1026 CB PHE A 61 -0.077 -2.123 6.010 1.00 13.14 C ATOM 1027 CG PHE A 61 -0.475 -0.834 5.308 1.00 4.43 C ATOM 1028 CD1 PHE A 61 -1.071 0.198 6.015 1.00 43.55 C ATOM 1029 CD2 PHE A 61 -0.224 -0.647 3.956 1.00 31.44 C ATOM 1030 CE1 PHE A 61 -1.415 1.384 5.397 1.00 13.23 C ATOM 1031 CE2 PHE A 61 -0.558 0.547 3.332 1.00 74.45 C ATOM 1032 CZ PHE A 61 -1.154 1.565 4.059 1.00 63.24 C ATOM 0 H PHE A 61 0.392 -4.040 7.384 1.00 23.12 H new ATOM 0 HA PHE A 61 -1.808 -2.304 7.295 1.00 73.00 H new ATOM 0 HB2 PHE A 61 0.640 -1.878 6.793 1.00 13.14 H new ATOM 0 HB3 PHE A 61 0.441 -2.757 5.291 1.00 13.14 H new ATOM 0 HD1 PHE A 61 -1.270 0.072 7.069 1.00 43.55 H new ATOM 0 HD2 PHE A 61 0.236 -1.439 3.383 1.00 31.44 H new ATOM 0 HE1 PHE A 61 -1.890 2.170 5.965 1.00 13.23 H new ATOM 0 HE2 PHE A 61 -0.353 0.683 2.280 1.00 74.45 H new ATOM 0 HZ PHE A 61 -1.412 2.496 3.577 1.00 63.24 H new ATOM 1042 N ILE A 62 -1.717 -4.530 4.875 1.00 35.31 N ATOM 1043 CA ILE A 62 -2.511 -5.126 3.815 1.00 12.02 C ATOM 1044 C ILE A 62 -3.760 -5.741 4.386 1.00 1.54 C ATOM 1045 O ILE A 62 -4.863 -5.425 3.959 1.00 13.14 O ATOM 1046 CB ILE A 62 -1.745 -6.221 3.035 1.00 24.44 C ATOM 1047 CG1 ILE A 62 -0.408 -5.695 2.524 1.00 15.12 C ATOM 1048 CG2 ILE A 62 -2.596 -6.729 1.877 1.00 34.25 C ATOM 1049 CD1 ILE A 62 -0.517 -4.436 1.723 1.00 30.21 C ATOM 0 H ILE A 62 -0.821 -4.989 5.040 1.00 35.31 H new ATOM 0 HA ILE A 62 -2.753 -4.319 3.123 1.00 12.02 H new ATOM 0 HB ILE A 62 -1.542 -7.049 3.715 1.00 24.44 H new ATOM 0 HG12 ILE A 62 0.250 -5.517 3.375 1.00 15.12 H new ATOM 0 HG13 ILE A 62 0.063 -6.464 1.912 1.00 15.12 H new ATOM 0 HG21 ILE A 62 -2.049 -7.499 1.334 1.00 34.25 H new ATOM 0 HG22 ILE A 62 -3.524 -7.148 2.264 1.00 34.25 H new ATOM 0 HG23 ILE A 62 -2.824 -5.903 1.203 1.00 34.25 H new ATOM 0 HD11 ILE A 62 0.475 -4.126 1.396 1.00 30.21 H new ATOM 0 HD12 ILE A 62 -1.148 -4.613 0.852 1.00 30.21 H new ATOM 0 HD13 ILE A 62 -0.958 -3.651 2.337 1.00 30.21 H new ATOM 1061 N LYS A 63 -3.580 -6.598 5.384 1.00 61.33 N ATOM 1062 CA LYS A 63 -4.720 -7.282 6.019 1.00 71.35 C ATOM 1063 C LYS A 63 -5.666 -6.286 6.671 1.00 55.11 C ATOM 1064 O LYS A 63 -6.875 -6.510 6.739 1.00 41.31 O ATOM 1065 CB LYS A 63 -4.280 -8.363 7.037 1.00 20.52 C ATOM 1066 CG LYS A 63 -3.926 -9.795 6.500 1.00 5.24 C ATOM 1067 CD LYS A 63 -2.765 -9.888 5.485 1.00 35.41 C ATOM 1068 CE LYS A 63 -3.149 -9.443 4.076 1.00 30.23 C ATOM 1069 NZ LYS A 63 -4.217 -10.288 3.483 1.00 70.55 N ATOM 0 H LYS A 63 -2.669 -6.840 5.774 1.00 61.33 H new ATOM 0 HA LYS A 63 -5.252 -7.797 5.219 1.00 71.35 H new ATOM 0 HB2 LYS A 63 -3.408 -7.983 7.568 1.00 20.52 H new ATOM 0 HB3 LYS A 63 -5.078 -8.472 7.771 1.00 20.52 H new ATOM 0 HG2 LYS A 63 -3.683 -10.428 7.353 1.00 5.24 H new ATOM 0 HG3 LYS A 63 -4.818 -10.214 6.036 1.00 5.24 H new ATOM 0 HD2 LYS A 63 -1.935 -9.275 5.837 1.00 35.41 H new ATOM 0 HD3 LYS A 63 -2.408 -10.917 5.447 1.00 35.41 H new ATOM 0 HE2 LYS A 63 -3.485 -8.406 4.105 1.00 30.23 H new ATOM 0 HE3 LYS A 63 -2.268 -9.475 3.436 1.00 30.23 H new ATOM 0 HZ1 LYS A 63 -3.921 -10.610 2.539 1.00 70.55 H new ATOM 0 HZ2 LYS A 63 -4.386 -11.113 4.093 1.00 70.55 H new ATOM 0 HZ3 LYS A 63 -5.093 -9.733 3.401 1.00 70.55 H new ATOM 1083 N TRP A 64 -5.116 -5.196 7.126 1.00 54.30 N ATOM 1084 CA TRP A 64 -5.878 -4.160 7.775 1.00 31.15 C ATOM 1085 C TRP A 64 -6.694 -3.424 6.698 1.00 64.13 C ATOM 1086 O TRP A 64 -7.895 -3.165 6.873 1.00 1.53 O ATOM 1087 CB TRP A 64 -4.911 -3.197 8.445 1.00 51.31 C ATOM 1088 CG TRP A 64 -5.378 -2.608 9.732 1.00 32.41 C ATOM 1089 CD1 TRP A 64 -4.886 -2.914 10.964 1.00 32.44 C ATOM 1090 CD2 TRP A 64 -6.405 -1.625 9.936 1.00 55.43 C ATOM 1091 NE1 TRP A 64 -5.539 -2.188 11.923 1.00 42.52 N ATOM 1092 CE2 TRP A 64 -6.479 -1.390 11.320 1.00 61.11 C ATOM 1093 CE3 TRP A 64 -7.267 -0.925 9.087 1.00 10.24 C ATOM 1094 CZ2 TRP A 64 -7.379 -0.483 11.875 1.00 52.41 C ATOM 1095 CZ3 TRP A 64 -8.158 -0.025 9.640 1.00 21.43 C ATOM 1096 CH2 TRP A 64 -8.209 0.189 11.018 1.00 64.23 C ATOM 0 H TRP A 64 -4.118 -4.997 7.058 1.00 54.30 H new ATOM 0 HA TRP A 64 -6.550 -4.575 8.526 1.00 31.15 H new ATOM 0 HB2 TRP A 64 -3.972 -3.720 8.625 1.00 51.31 H new ATOM 0 HB3 TRP A 64 -4.696 -2.385 7.751 1.00 51.31 H new ATOM 0 HD1 TRP A 64 -4.096 -3.625 11.156 1.00 32.44 H new ATOM 0 HE1 TRP A 64 -5.356 -2.233 12.926 1.00 42.52 H new ATOM 0 HE3 TRP A 64 -7.237 -1.084 8.019 1.00 10.24 H new ATOM 0 HZ2 TRP A 64 -7.421 -0.316 12.941 1.00 52.41 H new ATOM 0 HZ3 TRP A 64 -8.827 0.523 8.994 1.00 21.43 H new ATOM 0 HH2 TRP A 64 -8.918 0.899 11.417 1.00 64.23 H new ATOM 1107 N TYR A 65 -6.034 -3.118 5.560 1.00 5.23 N ATOM 1108 CA TYR A 65 -6.692 -2.462 4.442 1.00 42.21 C ATOM 1109 C TYR A 65 -7.793 -3.348 3.891 1.00 71.40 C ATOM 1110 O TYR A 65 -8.810 -2.858 3.480 1.00 52.44 O ATOM 1111 CB TYR A 65 -5.691 -2.057 3.333 1.00 44.42 C ATOM 1112 CG TYR A 65 -6.319 -1.356 2.112 1.00 52.41 C ATOM 1113 CD1 TYR A 65 -6.459 0.030 2.066 1.00 64.14 C ATOM 1114 CD2 TYR A 65 -6.760 -2.087 1.006 1.00 34.42 C ATOM 1115 CE1 TYR A 65 -7.021 0.655 0.956 1.00 0.33 C ATOM 1116 CE2 TYR A 65 -7.315 -1.457 -0.094 1.00 53.33 C ATOM 1117 CZ TYR A 65 -7.440 -0.097 -0.111 1.00 71.13 C ATOM 1118 OH TYR A 65 -7.996 0.520 -1.205 1.00 71.11 O ATOM 0 H TYR A 65 -5.046 -3.321 5.405 1.00 5.23 H new ATOM 0 HA TYR A 65 -7.138 -1.539 4.813 1.00 42.21 H new ATOM 0 HB2 TYR A 65 -4.940 -1.396 3.766 1.00 44.42 H new ATOM 0 HB3 TYR A 65 -5.169 -2.951 2.991 1.00 44.42 H new ATOM 0 HD1 TYR A 65 -6.127 0.627 2.903 1.00 64.14 H new ATOM 0 HD2 TYR A 65 -6.666 -3.163 1.010 1.00 34.42 H new ATOM 0 HE1 TYR A 65 -7.127 1.730 0.936 1.00 0.33 H new ATOM 0 HE2 TYR A 65 -7.649 -2.041 -0.939 1.00 53.33 H new ATOM 0 HH TYR A 65 -8.239 -0.155 -1.873 1.00 71.11 H new ATOM 1128 N ASN A 66 -7.568 -4.660 3.897 1.00 74.14 N ATOM 1129 CA ASN A 66 -8.573 -5.636 3.421 1.00 11.42 C ATOM 1130 C ASN A 66 -9.916 -5.452 4.125 1.00 63.23 C ATOM 1131 O ASN A 66 -10.967 -5.592 3.513 1.00 12.35 O ATOM 1132 CB ASN A 66 -8.091 -7.087 3.595 1.00 13.43 C ATOM 1133 CG ASN A 66 -6.881 -7.451 2.745 1.00 4.34 C ATOM 1134 OD1 ASN A 66 -6.063 -8.277 3.146 1.00 73.31 O ATOM 1135 ND2 ASN A 66 -6.766 -6.872 1.571 1.00 44.10 N ATOM 0 H ASN A 66 -6.700 -5.083 4.225 1.00 74.14 H new ATOM 0 HA ASN A 66 -8.708 -5.443 2.357 1.00 11.42 H new ATOM 0 HB2 ASN A 66 -7.847 -7.253 4.644 1.00 13.43 H new ATOM 0 HB3 ASN A 66 -8.910 -7.762 3.348 1.00 13.43 H new ATOM 0 HD21 ASN A 66 -5.981 -7.104 0.963 1.00 44.10 H new ATOM 0 HD22 ASN A 66 -7.462 -6.191 1.268 1.00 44.10 H new ATOM 1142 N ALA A 67 -9.877 -5.135 5.409 1.00 32.31 N ATOM 1143 CA ALA A 67 -11.098 -4.883 6.160 1.00 53.12 C ATOM 1144 C ALA A 67 -11.654 -3.506 5.798 1.00 41.12 C ATOM 1145 O ALA A 67 -12.831 -3.360 5.444 1.00 35.44 O ATOM 1146 CB ALA A 67 -10.831 -4.980 7.654 1.00 21.44 C ATOM 0 H ALA A 67 -9.018 -5.046 5.952 1.00 32.31 H new ATOM 0 HA ALA A 67 -11.839 -5.639 5.899 1.00 53.12 H new ATOM 0 HB1 ALA A 67 -11.754 -4.789 8.202 1.00 21.44 H new ATOM 0 HB2 ALA A 67 -10.466 -5.979 7.894 1.00 21.44 H new ATOM 0 HB3 ALA A 67 -10.081 -4.242 7.938 1.00 21.44 H new ATOM 1152 N TRP A 68 -10.778 -2.517 5.856 1.00 61.44 N ATOM 1153 CA TRP A 68 -11.085 -1.122 5.542 1.00 24.51 C ATOM 1154 C TRP A 68 -11.671 -0.951 4.133 1.00 3.34 C ATOM 1155 O TRP A 68 -12.625 -0.198 3.939 1.00 23.15 O ATOM 1156 CB TRP A 68 -9.806 -0.287 5.737 1.00 22.51 C ATOM 1157 CG TRP A 68 -9.814 1.091 5.142 1.00 64.51 C ATOM 1158 CD1 TRP A 68 -9.032 1.518 4.114 1.00 73.34 C ATOM 1159 CD2 TRP A 68 -10.634 2.211 5.508 1.00 34.31 C ATOM 1160 NE1 TRP A 68 -9.285 2.825 3.837 1.00 3.43 N ATOM 1161 CE2 TRP A 68 -10.264 3.277 4.664 1.00 34.02 C ATOM 1162 CE3 TRP A 68 -11.631 2.425 6.464 1.00 54.44 C ATOM 1163 CZ2 TRP A 68 -10.849 4.524 4.741 1.00 50.34 C ATOM 1164 CZ3 TRP A 68 -12.217 3.676 6.535 1.00 53.25 C ATOM 1165 CH2 TRP A 68 -11.817 4.710 5.671 1.00 14.03 C ATOM 0 H TRP A 68 -9.806 -2.661 6.130 1.00 61.44 H new ATOM 0 HA TRP A 68 -11.861 -0.768 6.221 1.00 24.51 H new ATOM 0 HB2 TRP A 68 -9.616 -0.197 6.807 1.00 22.51 H new ATOM 0 HB3 TRP A 68 -8.969 -0.839 5.310 1.00 22.51 H new ATOM 0 HD1 TRP A 68 -8.312 0.905 3.592 1.00 73.34 H new ATOM 0 HE1 TRP A 68 -8.814 3.379 3.121 1.00 3.43 H new ATOM 0 HE3 TRP A 68 -11.936 1.633 7.131 1.00 54.44 H new ATOM 0 HZ2 TRP A 68 -10.546 5.325 4.083 1.00 50.34 H new ATOM 0 HZ3 TRP A 68 -12.992 3.861 7.264 1.00 53.25 H new ATOM 0 HH2 TRP A 68 -12.293 5.676 5.750 1.00 14.03 H new ATOM 1176 N ASN A 69 -11.117 -1.669 3.184 1.00 31.14 N ATOM 1177 CA ASN A 69 -11.540 -1.625 1.787 1.00 51.00 C ATOM 1178 C ASN A 69 -12.998 -2.016 1.660 1.00 33.54 C ATOM 1179 O ASN A 69 -13.728 -1.456 0.855 1.00 5.32 O ATOM 1180 CB ASN A 69 -10.665 -2.566 0.941 1.00 61.14 C ATOM 1181 CG ASN A 69 -10.991 -2.531 -0.543 1.00 53.42 C ATOM 1182 OD1 ASN A 69 -10.426 -1.722 -1.296 1.00 75.45 O ATOM 1183 ND2 ASN A 69 -11.870 -3.400 -0.990 1.00 41.15 N ATOM 0 H ASN A 69 -10.346 -2.314 3.355 1.00 31.14 H new ATOM 0 HA ASN A 69 -11.422 -0.605 1.421 1.00 51.00 H new ATOM 0 HB2 ASN A 69 -9.618 -2.298 1.081 1.00 61.14 H new ATOM 0 HB3 ASN A 69 -10.784 -3.586 1.307 1.00 61.14 H new ATOM 0 HD21 ASN A 69 -12.105 -3.423 -1.982 1.00 41.15 H new ATOM 0 HD22 ASN A 69 -12.317 -4.052 -0.345 1.00 41.15 H new ATOM 1190 N GLU A 70 -13.417 -2.946 2.483 1.00 61.44 N ATOM 1191 CA GLU A 70 -14.777 -3.413 2.453 1.00 61.14 C ATOM 1192 C GLU A 70 -15.688 -2.384 3.071 1.00 71.13 C ATOM 1193 O GLU A 70 -16.737 -2.074 2.526 1.00 52.11 O ATOM 1194 CB GLU A 70 -14.915 -4.744 3.189 1.00 50.30 C ATOM 1195 CG GLU A 70 -13.971 -5.811 2.680 1.00 22.20 C ATOM 1196 CD GLU A 70 -14.084 -6.027 1.198 1.00 14.10 C ATOM 1197 OE1 GLU A 70 -14.892 -6.859 0.769 1.00 0.33 O ATOM 1198 OE2 GLU A 70 -13.354 -5.354 0.430 1.00 74.30 O ATOM 0 H GLU A 70 -12.830 -3.395 3.185 1.00 61.44 H new ATOM 0 HA GLU A 70 -15.063 -3.568 1.413 1.00 61.14 H new ATOM 0 HB2 GLU A 70 -14.732 -4.584 4.252 1.00 50.30 H new ATOM 0 HB3 GLU A 70 -15.941 -5.100 3.092 1.00 50.30 H new ATOM 0 HG2 GLU A 70 -12.947 -5.531 2.925 1.00 22.20 H new ATOM 0 HG3 GLU A 70 -14.177 -6.749 3.196 1.00 22.20 H new ATOM 1205 N LYS A 71 -15.245 -1.815 4.184 1.00 60.52 N ATOM 1206 CA LYS A 71 -16.026 -0.832 4.947 1.00 33.20 C ATOM 1207 C LYS A 71 -16.371 0.382 4.090 1.00 21.43 C ATOM 1208 O LYS A 71 -17.441 0.970 4.226 1.00 71.04 O ATOM 1209 CB LYS A 71 -15.244 -0.369 6.186 1.00 13.43 C ATOM 1210 CG LYS A 71 -14.735 -1.465 7.157 1.00 12.23 C ATOM 1211 CD LYS A 71 -15.827 -2.236 7.938 1.00 63.32 C ATOM 1212 CE LYS A 71 -16.664 -3.203 7.092 1.00 70.34 C ATOM 1213 NZ LYS A 71 -17.636 -3.949 7.917 1.00 23.30 N ATOM 0 H LYS A 71 -14.332 -2.018 4.590 1.00 60.52 H new ATOM 0 HA LYS A 71 -16.951 -1.318 5.259 1.00 33.20 H new ATOM 0 HB2 LYS A 71 -14.383 0.206 5.846 1.00 13.43 H new ATOM 0 HB3 LYS A 71 -15.880 0.313 6.751 1.00 13.43 H new ATOM 0 HG2 LYS A 71 -14.147 -2.184 6.587 1.00 12.23 H new ATOM 0 HG3 LYS A 71 -14.060 -1.001 7.876 1.00 12.23 H new ATOM 0 HD2 LYS A 71 -15.350 -2.798 8.741 1.00 63.32 H new ATOM 0 HD3 LYS A 71 -16.496 -1.514 8.407 1.00 63.32 H new ATOM 0 HE2 LYS A 71 -17.194 -2.646 6.320 1.00 70.34 H new ATOM 0 HE3 LYS A 71 -16.004 -3.905 6.582 1.00 70.34 H new ATOM 0 HZ1 LYS A 71 -18.184 -4.593 7.311 1.00 23.30 H new ATOM 0 HZ2 LYS A 71 -17.128 -4.500 8.638 1.00 23.30 H new ATOM 0 HZ3 LYS A 71 -18.281 -3.280 8.383 1.00 23.30 H new ATOM 1227 N ARG A 72 -15.468 0.728 3.202 1.00 42.12 N ATOM 1228 CA ARG A 72 -15.641 1.877 2.340 1.00 21.22 C ATOM 1229 C ARG A 72 -16.401 1.563 1.043 1.00 12.21 C ATOM 1230 O ARG A 72 -16.843 2.485 0.343 1.00 33.12 O ATOM 1231 CB ARG A 72 -14.295 2.539 2.048 1.00 3.12 C ATOM 1232 CG ARG A 72 -13.255 1.595 1.506 1.00 71.01 C ATOM 1233 CD ARG A 72 -11.965 2.303 1.209 1.00 1.35 C ATOM 1234 NE ARG A 72 -12.094 3.272 0.116 1.00 51.15 N ATOM 1235 CZ ARG A 72 -11.102 4.058 -0.306 1.00 50.15 C ATOM 1236 NH1 ARG A 72 -9.895 3.940 0.243 1.00 44.14 N ATOM 1237 NH2 ARG A 72 -11.314 4.933 -1.281 1.00 12.10 N ATOM 0 H ARG A 72 -14.594 0.223 3.056 1.00 42.12 H new ATOM 0 HA ARG A 72 -16.269 2.580 2.887 1.00 21.22 H new ATOM 0 HB2 ARG A 72 -14.446 3.347 1.332 1.00 3.12 H new ATOM 0 HB3 ARG A 72 -13.918 2.992 2.965 1.00 3.12 H new ATOM 0 HG2 ARG A 72 -13.075 0.798 2.228 1.00 71.01 H new ATOM 0 HG3 ARG A 72 -13.629 1.124 0.597 1.00 71.01 H new ATOM 0 HD2 ARG A 72 -11.621 2.817 2.107 1.00 1.35 H new ATOM 0 HD3 ARG A 72 -11.202 1.568 0.951 1.00 1.35 H new ATOM 0 HE ARG A 72 -12.998 3.350 -0.350 1.00 51.15 H new ATOM 0 HH11 ARG A 72 -9.735 3.253 0.980 1.00 44.14 H new ATOM 0 HH12 ARG A 72 -9.130 4.537 -0.073 1.00 44.14 H new ATOM 0 HH21 ARG A 72 -12.237 5.006 -1.709 1.00 12.10 H new ATOM 0 HH22 ARG A 72 -10.554 5.533 -1.602 1.00 12.10 H new ATOM 1251 N ARG A 73 -16.558 0.282 0.703 1.00 74.30 N ATOM 1252 CA ARG A 73 -17.297 -0.053 -0.516 1.00 62.24 C ATOM 1253 C ARG A 73 -18.665 -0.641 -0.229 1.00 51.35 C ATOM 1254 O ARG A 73 -19.532 -0.672 -1.111 1.00 64.11 O ATOM 1255 CB ARG A 73 -16.507 -0.925 -1.513 1.00 43.44 C ATOM 1256 CG ARG A 73 -16.076 -2.287 -1.013 1.00 60.43 C ATOM 1257 CD ARG A 73 -15.374 -3.051 -2.124 1.00 14.32 C ATOM 1258 NE ARG A 73 -14.873 -4.358 -1.692 1.00 31.35 N ATOM 1259 CZ ARG A 73 -14.719 -5.427 -2.485 1.00 25.42 C ATOM 1260 NH1 ARG A 73 -15.077 -5.378 -3.761 1.00 72.52 N ATOM 1261 NH2 ARG A 73 -14.214 -6.539 -1.986 1.00 32.52 N ATOM 0 H ARG A 73 -16.199 -0.513 1.231 1.00 74.30 H new ATOM 0 HA ARG A 73 -17.449 0.905 -1.012 1.00 62.24 H new ATOM 0 HB2 ARG A 73 -17.118 -1.065 -2.405 1.00 43.44 H new ATOM 0 HB3 ARG A 73 -15.617 -0.375 -1.819 1.00 43.44 H new ATOM 0 HG2 ARG A 73 -15.408 -2.175 -0.159 1.00 60.43 H new ATOM 0 HG3 ARG A 73 -16.944 -2.848 -0.667 1.00 60.43 H new ATOM 0 HD2 ARG A 73 -16.065 -3.190 -2.955 1.00 14.32 H new ATOM 0 HD3 ARG A 73 -14.542 -2.455 -2.498 1.00 14.32 H new ATOM 0 HE ARG A 73 -14.621 -4.463 -0.709 1.00 31.35 H new ATOM 0 HH11 ARG A 73 -15.474 -4.521 -4.147 1.00 72.52 H new ATOM 0 HH12 ARG A 73 -14.956 -6.197 -4.357 1.00 72.52 H new ATOM 0 HH21 ARG A 73 -13.944 -6.580 -1.003 1.00 32.52 H new ATOM 0 HH22 ARG A 73 -14.094 -7.357 -2.583 1.00 32.52 H new