USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 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 77 GLN :FLIP amide:sc= -0.381 F(o=-0.72,f=0.23) USER MOD Set 1.2: A 115 SER OG : rot 70:sc= 0.61 USER MOD Set 2.1: A 59 ASN :FLIP amide:sc= -0.106 F(o=-0.85,f=-0.1) USER MOD Set 2.2: A 61 SER OG : rot -97:sc= 0.00179 USER MOD Set 3.1: A 27 HIS : no HD1:sc= -3.77 K(o=-4.2,f=-6.1!) USER MOD Set 3.2: A 30 LYS NZ :NH3+ 141:sc= -0.4 (180deg=-2.15!) USER MOD Single : A 15 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.167 F(o=-1.6,f=-0.17) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -3.91! (180deg=-8.26!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= -1.7 (180deg=-1.81) USER MOD Single : A 57 HIS : no HD1:sc= -8.95! C(o=-8.9!,f=-12!) USER MOD Single : A 60 MET CE :methyl 161:sc= -3.71! (180deg=-4.86!) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0381 (180deg=-0.523) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 74 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.087) USER MOD Single : A 76 ASN : amide:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -2.3 F(o=-3.8!,f=-2.3) USER MOD Single : A 86 HIS : +bothHN:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 87 SER OG : rot -86:sc= -0.682 USER MOD Single : A 88 MET CE :methyl -143:sc= -1.34 (180deg=-2.84!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -48:sc= 0.0856 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 99 TYR OH : rot 175:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -138:sc= -0.162 USER MOD Single : A 111 MET CE :methyl -147:sc= -6.04! (180deg=-9.83!) USER MOD Single : A 113 TYR OH : rot 34:sc= 1.12 USER MOD Single : A 116 GLN : amide:sc= -0.288 K(o=-0.29,f=-0.9) USER MOD Single : A 118 THR OG1 : rot 59:sc= 0.369 USER MOD Single : B 339 THR OG1 : rot 71:sc= -2.3 USER MOD Single : B 340 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.24) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot -148:sc= 0.136 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 0.290 -17.839 -2.223 1.00 41.44 N ATOM 222 CA PHE A 13 1.463 -17.355 -1.516 1.00 63.33 C ATOM 223 C PHE A 13 2.727 -17.539 -2.360 1.00 44.41 C ATOM 224 O PHE A 13 3.605 -16.677 -2.366 1.00 20.03 O ATOM 225 CB PHE A 13 1.592 -18.189 -0.239 1.00 2.14 C ATOM 226 CG PHE A 13 2.327 -17.477 0.898 1.00 71.11 C ATOM 227 CD1 PHE A 13 2.070 -16.167 1.158 1.00 23.23 C ATOM 228 CD2 PHE A 13 3.238 -18.153 1.648 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.751 -15.505 2.214 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.920 -17.491 2.703 1.00 33.33 C ATOM 231 CZ PHE A 13 3.662 -16.182 2.964 1.00 61.43 C ATOM 0 HA PHE A 13 1.354 -16.292 -1.299 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.595 -18.466 0.104 1.00 2.14 H new ATOM 0 HB3 PHE A 13 2.117 -19.115 -0.474 1.00 2.14 H new ATOM 0 HD1 PHE A 13 1.348 -15.630 0.561 1.00 23.23 H new ATOM 0 HD2 PHE A 13 3.443 -19.193 1.441 1.00 5.52 H new ATOM 0 HE1 PHE A 13 2.546 -14.465 2.421 1.00 5.13 H new ATOM 0 HE2 PHE A 13 4.644 -18.028 3.298 1.00 33.33 H new ATOM 0 HZ PHE A 13 4.180 -15.679 3.767 1.00 61.43 H new ATOM 241 N GLU A 14 2.779 -18.667 -3.052 1.00 55.44 N ATOM 242 CA GLU A 14 3.921 -18.974 -3.898 1.00 2.44 C ATOM 243 C GLU A 14 3.785 -18.270 -5.249 1.00 21.01 C ATOM 244 O GLU A 14 4.775 -18.064 -5.948 1.00 32.24 O ATOM 245 CB GLU A 14 4.076 -20.486 -4.080 1.00 3.33 C ATOM 246 CG GLU A 14 2.734 -21.139 -4.416 1.00 34.15 C ATOM 247 CD GLU A 14 2.932 -22.388 -5.277 1.00 72.44 C ATOM 248 OE1 GLU A 14 4.076 -22.740 -5.603 1.00 44.41 O ATOM 249 OE2 GLU A 14 1.846 -23.000 -5.608 1.00 21.22 O ATOM 0 H GLU A 14 2.049 -19.380 -3.045 1.00 55.44 H new ATOM 0 HA GLU A 14 4.822 -18.605 -3.408 1.00 2.44 H new ATOM 0 HB2 GLU A 14 4.792 -20.688 -4.876 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.480 -20.926 -3.168 1.00 3.33 H new ATOM 0 HG2 GLU A 14 2.215 -21.406 -3.495 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.101 -20.426 -4.944 1.00 34.15 H new ATOM 257 N GLN A 15 2.549 -17.920 -5.577 1.00 45.15 N ATOM 258 CA GLN A 15 2.271 -17.243 -6.832 1.00 41.13 C ATOM 259 C GLN A 15 2.528 -15.741 -6.693 1.00 53.54 C ATOM 260 O GLN A 15 2.711 -15.045 -7.690 1.00 72.22 O ATOM 261 CB GLN A 15 0.838 -17.514 -7.295 1.00 53.44 C ATOM 262 CG GLN A 15 0.697 -18.938 -7.836 1.00 54.20 C ATOM 263 CD GLN A 15 1.323 -19.061 -9.226 1.00 14.33 C ATOM 264 OE1 GLN A 15 2.364 -19.670 -9.415 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.633 -18.452 -10.186 1.00 10.33 N ATOM 0 H GLN A 15 1.729 -18.093 -4.995 1.00 45.15 H new ATOM 0 HA GLN A 15 2.944 -17.638 -7.593 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.149 -17.367 -6.463 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.560 -16.798 -8.069 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.177 -19.639 -7.154 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.357 -19.210 -7.883 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.231 -17.960 -9.959 1.00 10.33 H new ATOM 0 HE22 GLN A 15 0.968 -18.477 -11.149 1.00 10.33 H new ATOM 274 N ARG A 16 2.533 -15.286 -5.449 1.00 3.03 N ATOM 275 CA ARG A 16 2.764 -13.880 -5.167 1.00 14.35 C ATOM 276 C ARG A 16 4.257 -13.619 -4.958 1.00 53.10 C ATOM 277 O ARG A 16 4.777 -12.589 -5.384 1.00 3.11 O ATOM 278 CB ARG A 16 1.996 -13.435 -3.920 1.00 24.11 C ATOM 279 CG ARG A 16 2.276 -14.369 -2.741 1.00 72.42 C ATOM 280 CD ARG A 16 1.715 -13.792 -1.440 1.00 11.40 C ATOM 281 NE ARG A 16 0.289 -14.158 -1.297 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.728 -13.483 -1.875 1.00 12.01 C ATOM 283 NH1 ARG A 16 -0.482 -12.399 -2.640 1.00 15.11 N ATOM 284 NH2 ARG A 16 -1.965 -13.900 -1.680 1.00 73.11 N ATOM 0 H ARG A 16 2.381 -15.867 -4.624 1.00 3.03 H new ATOM 0 HA ARG A 16 2.408 -13.307 -6.023 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.281 -12.416 -3.657 1.00 24.11 H new ATOM 0 HB3 ARG A 16 0.927 -13.422 -4.132 1.00 24.11 H new ATOM 0 HG2 ARG A 16 1.831 -15.345 -2.932 1.00 72.42 H new ATOM 0 HG3 ARG A 16 3.350 -14.523 -2.641 1.00 72.42 H new ATOM 0 HD2 ARG A 16 2.283 -14.170 -0.590 1.00 11.40 H new ATOM 0 HD3 ARG A 16 1.822 -12.707 -1.438 1.00 11.40 H new ATOM 0 HE ARG A 16 0.059 -14.971 -0.726 1.00 51.11 H new ATOM 0 HH11 ARG A 16 0.477 -12.084 -2.785 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -1.255 -11.894 -3.073 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -2.141 -14.720 -1.100 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -2.745 -13.402 -2.109 1.00 73.11 H new ATOM 297 N VAL A 17 4.906 -14.571 -4.303 1.00 23.21 N ATOM 298 CA VAL A 17 6.329 -14.456 -4.032 1.00 72.24 C ATOM 299 C VAL A 17 7.113 -14.749 -5.314 1.00 12.31 C ATOM 300 O VAL A 17 8.157 -14.146 -5.559 1.00 41.11 O ATOM 301 CB VAL A 17 6.717 -15.375 -2.872 1.00 61.12 C ATOM 302 CG1 VAL A 17 6.308 -16.821 -3.159 1.00 70.24 C ATOM 303 CG2 VAL A 17 8.214 -15.277 -2.572 1.00 4.10 C ATOM 0 H VAL A 17 4.473 -15.425 -3.952 1.00 23.21 H new ATOM 0 HA VAL A 17 6.578 -13.441 -3.722 1.00 72.24 H new ATOM 0 HB VAL A 17 6.176 -15.043 -1.986 1.00 61.12 H new ATOM 0 HG11 VAL A 17 6.595 -17.454 -2.319 1.00 70.24 H new ATOM 0 HG12 VAL A 17 5.228 -16.873 -3.300 1.00 70.24 H new ATOM 0 HG13 VAL A 17 6.809 -17.168 -4.063 1.00 70.24 H new ATOM 0 HG21 VAL A 17 8.463 -15.940 -1.744 1.00 4.10 H new ATOM 0 HG22 VAL A 17 8.782 -15.570 -3.455 1.00 4.10 H new ATOM 0 HG23 VAL A 17 8.465 -14.251 -2.304 1.00 4.10 H new ATOM 313 N GLU A 18 6.577 -15.672 -6.098 1.00 25.41 N ATOM 314 CA GLU A 18 7.213 -16.052 -7.349 1.00 5.04 C ATOM 315 C GLU A 18 7.550 -14.807 -8.172 1.00 14.13 C ATOM 316 O GLU A 18 8.661 -14.680 -8.685 1.00 42.13 O ATOM 317 CB GLU A 18 6.328 -17.013 -8.144 1.00 74.55 C ATOM 318 CG GLU A 18 6.937 -17.312 -9.515 1.00 43.23 C ATOM 319 CD GLU A 18 7.536 -18.720 -9.553 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.752 -19.331 -8.496 1.00 42.32 O ATOM 321 OE2 GLU A 18 7.777 -19.178 -10.736 1.00 63.31 O ATOM 0 H GLU A 18 5.710 -16.168 -5.892 1.00 25.41 H new ATOM 0 HA GLU A 18 8.142 -16.573 -7.119 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.202 -17.942 -7.588 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.336 -16.580 -8.270 1.00 74.55 H new ATOM 0 HG2 GLU A 18 6.172 -17.217 -10.285 1.00 43.23 H new ATOM 0 HG3 GLU A 18 7.710 -16.578 -9.742 1.00 43.23 H new ATOM 329 N ASP A 19 6.571 -13.920 -8.273 1.00 32.14 N ATOM 330 CA ASP A 19 6.749 -12.690 -9.025 1.00 24.24 C ATOM 331 C ASP A 19 7.795 -11.817 -8.326 1.00 51.31 C ATOM 332 O ASP A 19 8.633 -11.201 -8.982 1.00 42.23 O ATOM 333 CB ASP A 19 5.445 -11.896 -9.100 1.00 51.12 C ATOM 334 CG ASP A 19 5.459 -10.718 -10.077 1.00 40.34 C ATOM 335 OD1 ASP A 19 6.427 -9.944 -10.130 1.00 21.13 O ATOM 336 OD2 ASP A 19 4.407 -10.610 -10.816 1.00 21.13 O ATOM 0 H ASP A 19 5.651 -14.029 -7.846 1.00 32.14 H new ATOM 0 HA ASP A 19 7.068 -12.955 -10.033 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.640 -12.574 -9.384 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.209 -11.520 -8.105 1.00 51.12 H new ATOM 342 N VAL A 20 7.710 -11.793 -7.004 1.00 71.23 N ATOM 343 CA VAL A 20 8.638 -11.005 -6.210 1.00 54.42 C ATOM 344 C VAL A 20 10.071 -11.420 -6.548 1.00 35.23 C ATOM 345 O VAL A 20 11.005 -10.639 -6.373 1.00 13.24 O ATOM 346 CB VAL A 20 8.308 -11.153 -4.723 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.467 -10.662 -3.853 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.012 -10.419 -4.374 1.00 35.51 C ATOM 0 H VAL A 20 7.014 -12.306 -6.463 1.00 71.23 H new ATOM 0 HA VAL A 20 8.542 -9.946 -6.448 1.00 54.42 H new ATOM 0 HB VAL A 20 8.159 -12.213 -4.516 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.207 -10.778 -2.801 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.360 -11.247 -4.073 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.661 -9.611 -4.065 1.00 23.14 H new ATOM 0 HG21 VAL A 20 6.800 -10.540 -3.312 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.121 -9.359 -4.604 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.190 -10.834 -4.957 1.00 35.51 H new ATOM 358 N ARG A 21 10.201 -12.649 -7.027 1.00 73.35 N ATOM 359 CA ARG A 21 11.504 -13.176 -7.392 1.00 12.33 C ATOM 360 C ARG A 21 12.152 -12.297 -8.465 1.00 3.32 C ATOM 361 O ARG A 21 13.338 -11.984 -8.383 1.00 20.04 O ATOM 362 CB ARG A 21 11.392 -14.610 -7.916 1.00 32.23 C ATOM 363 CG ARG A 21 12.721 -15.352 -7.769 1.00 24.21 C ATOM 364 CD ARG A 21 12.614 -16.780 -8.312 1.00 65.53 C ATOM 365 NE ARG A 21 13.600 -17.652 -7.636 1.00 31.50 N ATOM 366 CZ ARG A 21 13.556 -17.970 -6.325 1.00 64.23 C ATOM 367 NH1 ARG A 21 12.572 -17.488 -5.535 1.00 64.10 N ATOM 368 NH2 ARG A 21 14.489 -18.760 -5.825 1.00 2.31 N ATOM 0 H ARG A 21 9.425 -13.295 -7.171 1.00 73.35 H new ATOM 0 HA ARG A 21 12.124 -13.176 -6.495 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.613 -15.141 -7.370 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.093 -14.596 -8.964 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.504 -14.813 -8.303 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.013 -15.379 -6.719 1.00 24.21 H new ATOM 0 HD2 ARG A 21 11.606 -17.164 -8.153 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.790 -16.783 -9.388 1.00 65.53 H new ATOM 0 HE ARG A 21 14.361 -18.037 -8.196 1.00 31.50 H new ATOM 0 HH11 ARG A 21 11.855 -16.879 -5.928 1.00 64.10 H new ATOM 0 HH12 ARG A 21 12.546 -17.733 -4.545 1.00 64.10 H new ATOM 0 HH21 ARG A 21 15.229 -19.120 -6.428 1.00 2.31 H new ATOM 0 HH22 ARG A 21 14.470 -19.010 -4.836 1.00 2.31 H new ATOM 381 N LEU A 22 11.343 -11.926 -9.447 1.00 21.23 N ATOM 382 CA LEU A 22 11.821 -11.089 -10.534 1.00 44.20 C ATOM 383 C LEU A 22 12.267 -9.737 -9.975 1.00 44.01 C ATOM 384 O LEU A 22 13.400 -9.313 -10.195 1.00 64.33 O ATOM 385 CB LEU A 22 10.762 -10.982 -11.632 1.00 45.15 C ATOM 386 CG LEU A 22 10.430 -12.278 -12.375 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.181 -12.011 -13.860 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.520 -13.328 -12.157 1.00 33.03 C ATOM 0 H LEU A 22 10.360 -12.190 -9.512 1.00 21.23 H new ATOM 0 HA LEU A 22 12.693 -11.540 -11.007 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.844 -10.597 -11.187 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.097 -10.244 -12.361 1.00 45.15 H new ATOM 0 HG LEU A 22 9.506 -12.681 -11.962 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.947 -12.949 -14.364 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.344 -11.321 -13.970 1.00 14.41 H new ATOM 0 HD13 LEU A 22 11.074 -11.572 -14.306 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.260 -14.239 -12.695 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.472 -12.947 -12.527 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.606 -13.547 -11.093 1.00 33.03 H new ATOM 400 N ILE A 23 11.352 -9.098 -9.261 1.00 72.43 N ATOM 401 CA ILE A 23 11.637 -7.802 -8.667 1.00 73.03 C ATOM 402 C ILE A 23 12.792 -7.943 -7.673 1.00 50.41 C ATOM 403 O ILE A 23 13.520 -6.985 -7.423 1.00 52.54 O ATOM 404 CB ILE A 23 10.369 -7.203 -8.056 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.159 -5.764 -8.531 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.396 -7.304 -6.529 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.703 -5.730 -9.991 1.00 24.34 C ATOM 0 H ILE A 23 10.413 -9.453 -9.080 1.00 72.43 H new ATOM 0 HA ILE A 23 11.960 -7.095 -9.432 1.00 73.03 H new ATOM 0 HB ILE A 23 9.515 -7.785 -8.403 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.415 -5.275 -7.902 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.087 -5.202 -8.423 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.483 -6.871 -6.120 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.465 -8.351 -6.235 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.259 -6.762 -6.144 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.561 -4.696 -10.304 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.460 -6.198 -10.620 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.762 -6.272 -10.091 1.00 24.34 H new ATOM 419 N ARG A 24 12.923 -9.147 -7.135 1.00 12.34 N ATOM 420 CA ARG A 24 13.977 -9.427 -6.175 1.00 45.23 C ATOM 421 C ARG A 24 15.334 -9.489 -6.879 1.00 1.14 C ATOM 422 O ARG A 24 16.353 -9.112 -6.303 1.00 74.04 O ATOM 423 CB ARG A 24 13.724 -10.751 -5.450 1.00 34.14 C ATOM 424 CG ARG A 24 13.066 -10.514 -4.090 1.00 13.13 C ATOM 425 CD ARG A 24 13.862 -9.501 -3.264 1.00 0.34 C ATOM 426 NE ARG A 24 15.311 -9.675 -3.510 1.00 52.12 N ATOM 427 CZ ARG A 24 16.224 -8.687 -3.383 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.845 -7.447 -3.012 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.493 -8.955 -3.629 1.00 1.01 N ATOM 0 H ARG A 24 12.317 -9.940 -7.346 1.00 12.34 H new ATOM 0 HA ARG A 24 13.981 -8.620 -5.442 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.085 -11.388 -6.061 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.667 -11.281 -5.315 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.048 -10.152 -4.233 1.00 13.13 H new ATOM 0 HG3 ARG A 24 12.996 -11.456 -3.547 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.559 -8.487 -3.526 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.646 -9.634 -2.204 1.00 0.34 H new ATOM 0 HE ARG A 24 15.641 -10.598 -3.793 1.00 52.12 H new ATOM 0 HH11 ARG A 24 14.862 -7.249 -2.825 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.541 -6.707 -2.919 1.00 71.43 H new ATOM 0 HH21 ARG A 24 17.770 -9.895 -3.910 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.196 -8.222 -3.538 1.00 1.01 H new ATOM 442 N GLU A 25 15.303 -9.969 -8.113 1.00 75.54 N ATOM 443 CA GLU A 25 16.517 -10.085 -8.902 1.00 71.24 C ATOM 444 C GLU A 25 16.621 -8.924 -9.893 1.00 4.54 C ATOM 445 O GLU A 25 17.623 -8.789 -10.593 1.00 51.11 O ATOM 446 CB GLU A 25 16.574 -11.431 -9.627 1.00 21.24 C ATOM 447 CG GLU A 25 15.501 -11.514 -10.715 1.00 65.42 C ATOM 448 CD GLU A 25 15.404 -12.931 -11.283 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.719 -13.786 -10.705 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.073 -13.129 -12.369 1.00 50.21 O ATOM 0 H GLU A 25 14.455 -10.282 -8.586 1.00 75.54 H new ATOM 0 HA GLU A 25 17.371 -10.037 -8.226 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.560 -11.567 -10.072 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.434 -12.240 -8.910 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.537 -11.217 -10.303 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.735 -10.813 -11.516 1.00 65.42 H new ATOM 458 N GLN A 26 15.571 -8.116 -9.920 1.00 42.22 N ATOM 459 CA GLN A 26 15.532 -6.971 -10.813 1.00 1.04 C ATOM 460 C GLN A 26 15.764 -5.678 -10.029 1.00 74.23 C ATOM 461 O GLN A 26 16.700 -4.934 -10.316 1.00 72.32 O ATOM 462 CB GLN A 26 14.207 -6.918 -11.579 1.00 4.32 C ATOM 463 CG GLN A 26 14.183 -7.954 -12.704 1.00 11.50 C ATOM 464 CD GLN A 26 13.245 -7.516 -13.831 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.411 -8.468 -14.241 1.00 21.42 O flip ATOM 466 NE2 GLN A 26 13.278 -6.389 -14.298 1.00 14.23 N flip ATOM 0 H GLN A 26 14.741 -8.232 -9.338 1.00 42.22 H new ATOM 0 HA GLN A 26 16.333 -7.078 -11.544 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.379 -7.101 -10.894 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.063 -5.921 -11.995 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.190 -8.093 -13.097 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.859 -8.917 -12.310 1.00 11.50 H new ATOM 0 HE21 GLN A 26 13.944 -5.706 -13.936 1.00 14.23 H new ATOM 0 HE22 GLN A 26 12.640 -6.130 -15.050 1.00 14.23 H new ATOM 475 N HIS A 27 14.896 -5.450 -9.056 1.00 51.23 N ATOM 476 CA HIS A 27 14.994 -4.259 -8.228 1.00 52.43 C ATOM 477 C HIS A 27 15.252 -4.664 -6.775 1.00 72.33 C ATOM 478 O HIS A 27 14.328 -4.701 -5.964 1.00 1.33 O ATOM 479 CB HIS A 27 13.751 -3.381 -8.388 1.00 21.24 C ATOM 480 CG HIS A 27 13.373 -3.109 -9.825 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.430 -1.845 -10.388 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.934 -3.948 -10.806 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.039 -1.932 -11.650 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.732 -3.236 -11.907 1.00 22.24 N ATOM 0 H HIS A 27 14.121 -6.070 -8.821 1.00 51.23 H new ATOM 0 HA HIS A 27 15.839 -3.653 -8.555 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.911 -3.863 -7.887 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.922 -2.431 -7.882 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.777 -5.012 -10.704 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.974 -1.114 -12.352 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.401 -3.603 -12.799 1.00 22.24 H new ATOM 492 N PRO A 28 16.546 -4.964 -6.483 1.00 55.03 N ATOM 493 CA PRO A 28 16.937 -5.364 -5.142 1.00 41.14 C ATOM 494 C PRO A 28 16.965 -4.161 -4.197 1.00 41.12 C ATOM 495 O PRO A 28 16.682 -4.294 -3.008 1.00 74.04 O ATOM 496 CB PRO A 28 18.296 -6.021 -5.309 1.00 22.43 C ATOM 497 CG PRO A 28 18.824 -5.553 -6.655 1.00 40.31 C ATOM 498 CD PRO A 28 17.667 -4.930 -7.417 1.00 2.23 C ATOM 0 HA PRO A 28 16.229 -6.056 -4.685 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.971 -5.732 -4.503 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.211 -7.107 -5.279 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.626 -4.828 -6.519 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.242 -6.391 -7.213 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.898 -3.909 -7.722 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.443 -5.491 -8.325 1.00 2.23 H new ATOM 506 N THR A 29 17.311 -3.014 -4.762 1.00 63.23 N ATOM 507 CA THR A 29 17.379 -1.788 -3.985 1.00 35.40 C ATOM 508 C THR A 29 16.028 -1.072 -3.996 1.00 2.51 C ATOM 509 O THR A 29 15.970 0.155 -3.925 1.00 3.01 O ATOM 510 CB THR A 29 18.521 -0.937 -4.545 1.00 72.21 C ATOM 511 OG1 THR A 29 18.353 -1.016 -5.958 1.00 20.14 O ATOM 512 CG2 THR A 29 19.895 -1.566 -4.298 1.00 4.31 C ATOM 0 H THR A 29 17.547 -2.908 -5.749 1.00 63.23 H new ATOM 0 HA THR A 29 17.592 -1.997 -2.936 1.00 35.40 H new ATOM 0 HB THR A 29 18.489 0.055 -4.095 1.00 72.21 H new ATOM 0 HG1 THR A 29 19.052 -0.490 -6.400 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.670 -0.923 -4.715 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.056 -1.680 -3.226 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.939 -2.544 -4.777 1.00 4.31 H new ATOM 520 N LYS A 30 14.973 -1.868 -4.086 1.00 73.12 N ATOM 521 CA LYS A 30 13.624 -1.326 -4.107 1.00 13.34 C ATOM 522 C LYS A 30 12.728 -2.167 -3.196 1.00 74.25 C ATOM 523 O LYS A 30 12.973 -3.356 -3.003 1.00 52.32 O ATOM 524 CB LYS A 30 13.113 -1.219 -5.545 1.00 53.11 C ATOM 525 CG LYS A 30 13.895 -0.163 -6.327 1.00 74.24 C ATOM 526 CD LYS A 30 13.141 1.169 -6.354 1.00 31.34 C ATOM 527 CE LYS A 30 13.307 1.865 -7.707 1.00 62.14 C ATOM 528 NZ LYS A 30 12.990 0.934 -8.812 1.00 64.44 N ATOM 0 H LYS A 30 15.025 -2.885 -4.145 1.00 73.12 H new ATOM 0 HA LYS A 30 13.614 -0.310 -3.714 1.00 13.34 H new ATOM 0 HB2 LYS A 30 13.205 -2.186 -6.040 1.00 53.11 H new ATOM 0 HB3 LYS A 30 12.054 -0.963 -5.540 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.876 -0.021 -5.873 1.00 74.24 H new ATOM 0 HG3 LYS A 30 14.063 -0.511 -7.346 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.083 0.996 -6.157 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.511 1.817 -5.560 1.00 31.34 H new ATOM 0 HE2 LYS A 30 12.652 2.735 -7.758 1.00 62.14 H new ATOM 0 HE3 LYS A 30 14.329 2.229 -7.812 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.475 1.443 -9.558 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 13.872 0.546 -9.203 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 12.400 0.157 -8.453 1.00 64.44 H new ATOM 541 N ILE A 31 11.707 -1.515 -2.659 1.00 11.23 N ATOM 542 CA ILE A 31 10.772 -2.186 -1.773 1.00 34.53 C ATOM 543 C ILE A 31 9.473 -2.472 -2.530 1.00 61.33 C ATOM 544 O ILE A 31 8.755 -1.548 -2.908 1.00 14.43 O ATOM 545 CB ILE A 31 10.570 -1.375 -0.492 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.912 -1.055 0.172 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.614 -2.089 0.466 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.524 -2.307 0.802 1.00 43.44 C ATOM 0 H ILE A 31 11.507 -0.528 -2.821 1.00 11.23 H new ATOM 0 HA ILE A 31 11.174 -3.147 -1.454 1.00 34.53 H new ATOM 0 HB ILE A 31 10.107 -0.425 -0.760 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.599 -0.643 -0.568 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.771 -0.291 0.936 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.489 -1.490 1.368 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.647 -2.223 -0.018 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.025 -3.063 0.731 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.476 -2.052 1.267 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.846 -2.703 1.558 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.687 -3.060 0.031 1.00 43.44 H new ATOM 560 N PRO A 32 9.206 -3.789 -2.735 1.00 41.13 N ATOM 561 CA PRO A 32 8.007 -4.209 -3.441 1.00 31.23 C ATOM 562 C PRO A 32 6.769 -4.059 -2.554 1.00 60.01 C ATOM 563 O PRO A 32 6.812 -4.365 -1.364 1.00 33.01 O ATOM 564 CB PRO A 32 8.274 -5.648 -3.850 1.00 4.31 C ATOM 565 CG PRO A 32 9.411 -6.129 -2.962 1.00 32.45 C ATOM 566 CD PRO A 32 10.034 -4.911 -2.302 1.00 10.22 C ATOM 0 HA PRO A 32 7.796 -3.594 -4.316 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.385 -6.264 -3.714 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.548 -5.710 -4.903 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.039 -6.823 -2.208 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.154 -6.666 -3.551 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.035 -5.006 -1.216 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.071 -4.780 -2.611 1.00 10.22 H new ATOM 574 N VAL A 33 5.693 -3.589 -3.169 1.00 12.13 N ATOM 575 CA VAL A 33 4.446 -3.396 -2.451 1.00 24.23 C ATOM 576 C VAL A 33 3.274 -3.768 -3.363 1.00 4.32 C ATOM 577 O VAL A 33 3.429 -3.835 -4.581 1.00 1.31 O ATOM 578 CB VAL A 33 4.361 -1.961 -1.925 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.674 -1.545 -1.258 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.982 -0.989 -3.043 1.00 4.04 C ATOM 0 H VAL A 33 5.660 -3.336 -4.157 1.00 12.13 H new ATOM 0 HA VAL A 33 4.402 -4.051 -1.581 1.00 24.23 H new ATOM 0 HB VAL A 33 3.575 -1.926 -1.171 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.588 -0.522 -0.893 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.885 -2.212 -0.422 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.485 -1.604 -1.983 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.928 0.023 -2.642 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.735 -1.028 -3.830 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.012 -1.268 -3.454 1.00 4.04 H new ATOM 590 N ILE A 34 2.129 -4.000 -2.738 1.00 53.34 N ATOM 591 CA ILE A 34 0.933 -4.362 -3.478 1.00 0.30 C ATOM 592 C ILE A 34 -0.259 -3.573 -2.931 1.00 63.12 C ATOM 593 O ILE A 34 -0.873 -3.975 -1.944 1.00 30.23 O ATOM 594 CB ILE A 34 0.728 -5.879 -3.455 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.759 -6.584 -4.340 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.705 -6.245 -3.844 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.267 -6.681 -5.785 1.00 42.24 C ATOM 0 H ILE A 34 2.005 -3.944 -1.727 1.00 53.34 H new ATOM 0 HA ILE A 34 1.039 -4.093 -4.529 1.00 0.30 H new ATOM 0 HB ILE A 34 0.884 -6.229 -2.435 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.703 -6.039 -4.309 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.955 -7.583 -3.951 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.823 -7.328 -3.820 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.401 -5.788 -3.141 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.914 -5.880 -4.850 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.018 -7.186 -6.392 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.336 -7.247 -5.815 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.096 -5.679 -6.179 1.00 42.24 H new ATOM 609 N ILE A 35 -0.549 -2.465 -3.597 1.00 13.32 N ATOM 610 CA ILE A 35 -1.656 -1.617 -3.190 1.00 43.02 C ATOM 611 C ILE A 35 -2.899 -1.981 -4.003 1.00 62.52 C ATOM 612 O ILE A 35 -2.832 -2.098 -5.227 1.00 31.22 O ATOM 613 CB ILE A 35 -1.266 -0.141 -3.292 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.065 0.125 -2.584 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.384 0.761 -2.766 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.810 1.291 -3.237 1.00 12.23 C ATOM 0 H ILE A 35 -0.037 -2.135 -4.415 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.900 -1.788 -2.141 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.126 0.102 -4.345 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.116 0.348 -1.533 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.684 -0.771 -2.617 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.080 1.804 -2.850 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.289 0.598 -3.352 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.581 0.524 -1.720 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.752 1.459 -2.715 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.011 1.055 -4.282 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.198 2.191 -3.180 1.00 12.23 H new ATOM 628 N GLU A 36 -4.003 -2.153 -3.292 1.00 14.05 N ATOM 629 CA GLU A 36 -5.260 -2.503 -3.934 1.00 10.15 C ATOM 630 C GLU A 36 -6.388 -1.613 -3.411 1.00 32.02 C ATOM 631 O GLU A 36 -6.187 -0.829 -2.484 1.00 33.43 O ATOM 632 CB GLU A 36 -5.588 -3.983 -3.727 1.00 14.40 C ATOM 633 CG GLU A 36 -4.316 -4.833 -3.740 1.00 64.41 C ATOM 634 CD GLU A 36 -3.757 -5.005 -2.325 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.208 -6.069 -2.001 1.00 11.42 O ATOM 636 OE2 GLU A 36 -3.908 -3.984 -1.552 1.00 2.44 O ATOM 0 H GLU A 36 -4.054 -2.057 -2.278 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.158 -2.334 -5.006 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.108 -4.115 -2.778 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.265 -4.322 -4.511 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.532 -5.811 -4.171 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.566 -4.363 -4.376 1.00 64.41 H new ATOM 644 N ARG A 37 -7.552 -1.764 -4.027 1.00 33.23 N ATOM 645 CA ARG A 37 -8.714 -0.983 -3.634 1.00 73.24 C ATOM 646 C ARG A 37 -9.369 -1.594 -2.394 1.00 64.52 C ATOM 647 O ARG A 37 -9.510 -2.811 -2.298 1.00 12.04 O ATOM 648 CB ARG A 37 -9.741 -0.918 -4.766 1.00 51.13 C ATOM 649 CG ARG A 37 -10.494 -2.244 -4.901 1.00 1.41 C ATOM 650 CD ARG A 37 -11.108 -2.387 -6.293 1.00 24.11 C ATOM 651 NE ARG A 37 -11.767 -3.706 -6.423 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.401 -4.129 -7.537 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.470 -3.337 -8.629 1.00 72.20 N ATOM 654 NH2 ARG A 37 -12.956 -5.327 -7.543 1.00 44.03 N ATOM 0 H ARG A 37 -7.715 -2.415 -4.795 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.374 0.028 -3.408 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.449 -0.112 -4.574 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.239 -0.684 -5.705 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.813 -3.074 -4.713 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.279 -2.299 -4.146 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.833 -1.591 -6.463 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.334 -2.281 -7.053 1.00 24.11 H new ATOM 0 HE ARG A 37 -11.740 -4.335 -5.620 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -12.041 -2.412 -8.616 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.951 -3.664 -9.467 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -12.902 -5.918 -6.714 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.439 -5.661 -8.377 1.00 44.03 H new ATOM 667 N TYR A 38 -9.752 -0.719 -1.476 1.00 2.33 N ATOM 668 CA TYR A 38 -10.389 -1.156 -0.245 1.00 20.32 C ATOM 669 C TYR A 38 -11.706 -1.880 -0.537 1.00 54.11 C ATOM 670 O TYR A 38 -12.488 -1.437 -1.377 1.00 13.01 O ATOM 671 CB TYR A 38 -10.686 0.115 0.552 1.00 12.43 C ATOM 672 CG TYR A 38 -11.765 -0.058 1.622 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.089 -0.183 1.253 1.00 42.23 C ATOM 674 CD2 TYR A 38 -11.415 -0.089 2.957 1.00 12.43 C ATOM 675 CE1 TYR A 38 -14.105 -0.347 2.260 1.00 42.11 C ATOM 676 CE2 TYR A 38 -12.431 -0.252 3.964 1.00 53.35 C ATOM 677 CZ TYR A 38 -13.726 -0.373 3.566 1.00 23.24 C ATOM 678 OH TYR A 38 -14.686 -0.527 4.518 1.00 23.44 O ATOM 0 H TYR A 38 -9.634 0.291 -1.560 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.743 -1.847 0.297 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.767 0.455 1.029 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.996 0.900 -0.138 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.363 -0.158 0.209 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -10.379 0.009 3.246 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -15.144 -0.447 1.985 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -12.171 -0.278 5.012 1.00 53.35 H new ATOM 0 HH TYR A 38 -14.270 -0.528 5.405 1.00 23.44 H new ATOM 688 N LYS A 39 -11.911 -2.979 0.174 1.00 73.55 N ATOM 689 CA LYS A 39 -13.119 -3.768 0.002 1.00 43.43 C ATOM 690 C LYS A 39 -14.338 -2.899 0.316 1.00 21.11 C ATOM 691 O LYS A 39 -14.682 -2.703 1.481 1.00 3.42 O ATOM 692 CB LYS A 39 -13.045 -5.049 0.835 1.00 73.41 C ATOM 693 CG LYS A 39 -11.798 -5.862 0.482 1.00 61.13 C ATOM 694 CD LYS A 39 -11.374 -6.750 1.652 1.00 10.22 C ATOM 695 CE LYS A 39 -10.910 -5.907 2.842 1.00 52.01 C ATOM 696 NZ LYS A 39 -9.895 -6.638 3.633 1.00 32.44 N ATOM 0 H LYS A 39 -11.260 -3.342 0.871 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.218 -4.094 -1.033 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.031 -4.797 1.895 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.937 -5.651 0.662 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.998 -6.479 -0.394 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.983 -5.188 0.218 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.209 -7.383 1.954 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.569 -7.414 1.336 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -10.493 -4.965 2.487 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -11.763 -5.660 3.474 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -9.592 -6.051 4.436 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -10.305 -7.525 3.988 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -9.074 -6.852 3.031 1.00 32.44 H new ATOM 709 N GLY A 40 -14.959 -2.401 -0.744 1.00 74.45 N ATOM 710 CA GLY A 40 -16.133 -1.558 -0.596 1.00 3.24 C ATOM 711 C GLY A 40 -15.810 -0.103 -0.944 1.00 12.21 C ATOM 712 O GLY A 40 -16.552 0.806 -0.575 1.00 40.33 O ATOM 0 H GLY A 40 -14.671 -2.565 -1.709 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.931 -1.922 -1.243 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.501 -1.618 0.428 1.00 3.24 H new ATOM 716 N GLU A 41 -14.704 0.071 -1.651 1.00 33.32 N ATOM 717 CA GLU A 41 -14.274 1.400 -2.054 1.00 32.55 C ATOM 718 C GLU A 41 -14.453 1.582 -3.562 1.00 20.11 C ATOM 719 O GLU A 41 -13.713 1.001 -4.353 1.00 31.05 O ATOM 720 CB GLU A 41 -12.824 1.656 -1.640 1.00 62.14 C ATOM 721 CG GLU A 41 -12.289 2.939 -2.280 1.00 52.41 C ATOM 722 CD GLU A 41 -11.836 2.685 -3.719 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.508 3.119 -4.667 1.00 62.12 O ATOM 724 OE2 GLU A 41 -10.742 2.010 -3.836 1.00 34.32 O ATOM 0 H GLU A 41 -14.092 -0.686 -1.956 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.899 2.133 -1.543 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.760 1.733 -0.555 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.203 0.811 -1.937 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -13.064 3.706 -2.269 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.453 3.321 -1.694 1.00 52.41 H new ATOM 732 N LYS A 42 -15.442 2.390 -3.915 1.00 64.40 N ATOM 733 CA LYS A 42 -15.729 2.655 -5.315 1.00 2.11 C ATOM 734 C LYS A 42 -15.462 4.132 -5.614 1.00 14.01 C ATOM 735 O LYS A 42 -14.995 4.474 -6.700 1.00 33.23 O ATOM 736 CB LYS A 42 -17.148 2.203 -5.666 1.00 13.31 C ATOM 737 CG LYS A 42 -18.189 3.132 -5.041 1.00 45.50 C ATOM 738 CD LYS A 42 -18.483 4.322 -5.956 1.00 43.25 C ATOM 739 CE LYS A 42 -19.899 4.855 -5.726 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.076 6.162 -6.398 1.00 23.20 N ATOM 0 H LYS A 42 -16.055 2.870 -3.256 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.067 2.074 -5.957 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.272 2.189 -6.749 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.307 1.184 -5.314 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -19.109 2.578 -4.852 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.829 3.491 -4.077 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.758 5.115 -5.772 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.369 4.021 -6.997 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.629 4.141 -6.108 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -20.085 4.961 -4.657 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.042 6.510 -6.232 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -19.392 6.845 -6.015 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.919 6.051 -7.420 1.00 23.20 H new ATOM 753 N GLN A 43 -15.770 4.967 -4.633 1.00 63.45 N ATOM 754 CA GLN A 43 -15.568 6.398 -4.778 1.00 43.21 C ATOM 755 C GLN A 43 -14.272 6.679 -5.539 1.00 65.15 C ATOM 756 O GLN A 43 -14.301 6.998 -6.726 1.00 23.23 O ATOM 757 CB GLN A 43 -15.564 7.092 -3.414 1.00 65.43 C ATOM 758 CG GLN A 43 -16.989 7.405 -2.954 1.00 61.32 C ATOM 759 CD GLN A 43 -16.989 8.024 -1.554 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.826 9.220 -1.376 1.00 34.35 O ATOM 761 NE2 GLN A 43 -17.182 7.146 -0.574 1.00 61.50 N ATOM 0 H GLN A 43 -16.158 4.680 -3.734 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.399 6.805 -5.354 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -15.073 6.454 -2.679 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.986 8.014 -3.473 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.460 8.090 -3.659 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -17.583 6.491 -2.952 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -17.312 6.158 -0.793 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -17.200 7.460 0.396 1.00 61.50 H new ATOM 770 N LEU A 44 -13.164 6.548 -4.825 1.00 70.13 N ATOM 771 CA LEU A 44 -11.858 6.783 -5.419 1.00 74.32 C ATOM 772 C LEU A 44 -11.701 5.902 -6.660 1.00 11.20 C ATOM 773 O LEU A 44 -12.305 4.834 -6.748 1.00 43.35 O ATOM 774 CB LEU A 44 -10.753 6.583 -4.379 1.00 23.41 C ATOM 775 CG LEU A 44 -10.646 7.660 -3.299 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.331 7.040 -1.936 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.626 8.731 -3.691 1.00 10.25 C ATOM 0 H LEU A 44 -13.143 6.282 -3.840 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.770 7.818 -5.749 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.911 5.621 -3.891 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.798 6.523 -4.900 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.614 8.154 -3.212 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.260 7.827 -1.186 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -11.125 6.346 -1.660 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.383 6.504 -1.990 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.570 9.485 -2.906 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.647 8.270 -3.823 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.934 9.202 -4.624 1.00 10.25 H new ATOM 789 N PRO A 45 -10.866 6.395 -7.613 1.00 31.11 N ATOM 790 CA PRO A 45 -10.623 5.665 -8.846 1.00 72.02 C ATOM 791 C PRO A 45 -9.696 4.472 -8.603 1.00 4.31 C ATOM 792 O PRO A 45 -9.069 4.373 -7.548 1.00 31.03 O ATOM 793 CB PRO A 45 -10.033 6.691 -9.800 1.00 14.10 C ATOM 794 CG PRO A 45 -9.537 7.834 -8.929 1.00 24.31 C ATOM 795 CD PRO A 45 -10.134 7.657 -7.543 1.00 12.34 C ATOM 0 HA PRO A 45 -11.531 5.228 -9.263 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.217 6.260 -10.381 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.782 7.039 -10.511 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.448 7.831 -8.879 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.834 8.793 -9.353 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.358 7.623 -6.779 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.796 8.485 -7.288 1.00 12.34 H new ATOM 803 N VAL A 46 -9.638 3.597 -9.595 1.00 55.41 N ATOM 804 CA VAL A 46 -8.799 2.414 -9.501 1.00 62.40 C ATOM 805 C VAL A 46 -7.355 2.792 -9.838 1.00 24.11 C ATOM 806 O VAL A 46 -7.079 3.298 -10.925 1.00 23.43 O ATOM 807 CB VAL A 46 -9.352 1.308 -10.401 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.640 -0.021 -10.138 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.865 1.163 -10.224 1.00 2.32 C ATOM 0 H VAL A 46 -10.158 3.683 -10.468 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.805 2.021 -8.484 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.161 1.591 -11.436 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.052 -0.790 -10.791 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.574 0.091 -10.338 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.785 -0.312 -9.098 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.233 0.370 -10.875 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -11.088 0.913 -9.187 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.353 2.102 -10.484 1.00 2.32 H new ATOM 819 N LEU A 47 -6.472 2.531 -8.886 1.00 70.21 N ATOM 820 CA LEU A 47 -5.063 2.837 -9.068 1.00 52.54 C ATOM 821 C LEU A 47 -4.650 2.489 -10.498 1.00 0.41 C ATOM 822 O LEU A 47 -5.210 1.577 -11.106 1.00 44.05 O ATOM 823 CB LEU A 47 -4.221 2.139 -7.997 1.00 21.34 C ATOM 824 CG LEU A 47 -3.159 3.001 -7.312 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.260 3.688 -8.344 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.801 4.005 -6.353 1.00 2.31 C ATOM 0 H LEU A 47 -6.705 2.111 -7.986 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.885 3.904 -8.936 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.893 1.749 -7.232 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.726 1.282 -8.454 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.523 2.347 -6.715 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.514 4.294 -7.830 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.759 2.933 -8.950 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.866 4.326 -8.987 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.023 4.605 -5.880 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.476 4.658 -6.907 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.362 3.469 -5.587 1.00 2.31 H new ATOM 838 N ASP A 48 -3.674 3.233 -10.996 1.00 34.23 N ATOM 839 CA ASP A 48 -3.179 3.014 -12.346 1.00 65.12 C ATOM 840 C ASP A 48 -2.661 1.579 -12.468 1.00 61.25 C ATOM 841 O ASP A 48 -2.838 0.937 -13.502 1.00 1.55 O ATOM 842 CB ASP A 48 -2.024 3.963 -12.670 1.00 32.20 C ATOM 843 CG ASP A 48 -1.599 3.986 -14.139 1.00 54.14 C ATOM 844 OD1 ASP A 48 -1.175 5.026 -14.666 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.718 2.861 -14.759 1.00 33.14 O ATOM 0 H ASP A 48 -3.212 3.988 -10.490 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.000 3.196 -13.040 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.309 4.973 -12.374 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.163 3.684 -12.063 1.00 32.20 H new ATOM 851 N LYS A 49 -2.030 1.119 -11.398 1.00 34.30 N ATOM 852 CA LYS A 49 -1.485 -0.227 -11.372 1.00 13.11 C ATOM 853 C LYS A 49 -1.630 -0.805 -9.962 1.00 55.44 C ATOM 854 O LYS A 49 -2.181 -0.156 -9.075 1.00 64.03 O ATOM 855 CB LYS A 49 -0.046 -0.233 -11.893 1.00 53.23 C ATOM 856 CG LYS A 49 0.905 0.412 -10.884 1.00 52.12 C ATOM 857 CD LYS A 49 0.931 1.933 -11.048 1.00 15.23 C ATOM 858 CE LYS A 49 1.681 2.334 -12.320 1.00 51.44 C ATOM 859 NZ LYS A 49 0.728 2.605 -13.420 1.00 4.25 N ATOM 0 H LYS A 49 -1.884 1.655 -10.542 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.046 -0.877 -12.043 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.269 -1.258 -12.091 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.004 0.304 -12.840 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.593 0.157 -9.871 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.910 0.011 -11.018 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.089 2.316 -11.087 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.409 2.388 -10.181 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.286 3.220 -12.128 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.366 1.538 -12.612 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.039 2.108 -14.279 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.219 2.270 -13.149 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.694 3.628 -13.606 1.00 4.25 H new ATOM 872 N THR A 50 -1.126 -2.019 -9.800 1.00 62.40 N ATOM 873 CA THR A 50 -1.192 -2.692 -8.514 1.00 12.42 C ATOM 874 C THR A 50 0.211 -2.864 -7.928 1.00 13.32 C ATOM 875 O THR A 50 0.386 -2.845 -6.711 1.00 13.53 O ATOM 876 CB THR A 50 -1.936 -4.015 -8.709 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.973 -3.697 -9.634 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.682 -4.459 -7.451 1.00 4.14 C ATOM 0 H THR A 50 -0.670 -2.555 -10.538 1.00 62.40 H new ATOM 0 HA THR A 50 -1.743 -2.097 -7.785 1.00 12.42 H new ATOM 0 HB THR A 50 -1.227 -4.790 -9.002 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.504 -4.500 -9.818 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.192 -5.403 -7.645 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.972 -4.591 -6.635 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.415 -3.700 -7.176 1.00 4.14 H new ATOM 886 N LYS A 51 1.174 -3.028 -8.823 1.00 63.11 N ATOM 887 CA LYS A 51 2.556 -3.203 -8.411 1.00 2.24 C ATOM 888 C LYS A 51 3.258 -1.843 -8.405 1.00 2.53 C ATOM 889 O LYS A 51 3.097 -1.053 -9.334 1.00 22.21 O ATOM 890 CB LYS A 51 3.248 -4.249 -9.288 1.00 62.34 C ATOM 891 CG LYS A 51 2.591 -5.621 -9.128 1.00 12.21 C ATOM 892 CD LYS A 51 3.620 -6.743 -9.278 1.00 14.34 C ATOM 893 CE LYS A 51 3.826 -7.103 -10.751 1.00 70.11 C ATOM 894 NZ LYS A 51 3.726 -5.895 -11.599 1.00 74.50 N ATOM 0 H LYS A 51 1.024 -3.043 -9.832 1.00 63.11 H new ATOM 0 HA LYS A 51 2.604 -3.591 -7.394 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.203 -3.940 -10.332 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.302 -4.313 -9.020 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.115 -5.688 -8.150 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.805 -5.741 -9.874 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.568 -6.433 -8.839 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.287 -7.623 -8.728 1.00 14.34 H new ATOM 0 HE2 LYS A 51 4.803 -7.568 -10.884 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.079 -7.834 -11.060 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 3.918 -6.149 -12.589 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 2.768 -5.496 -11.524 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 4.421 -5.189 -11.281 1.00 74.50 H new ATOM 907 N PHE A 52 4.022 -1.613 -7.347 1.00 55.52 N ATOM 908 CA PHE A 52 4.749 -0.363 -7.207 1.00 12.53 C ATOM 909 C PHE A 52 6.148 -0.603 -6.637 1.00 23.41 C ATOM 910 O PHE A 52 6.324 -1.430 -5.742 1.00 20.35 O ATOM 911 CB PHE A 52 3.956 0.509 -6.232 1.00 64.54 C ATOM 912 CG PHE A 52 2.538 0.837 -6.703 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.602 -0.147 -6.777 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.213 2.113 -7.047 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.285 0.158 -7.214 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.897 2.416 -7.484 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.040 1.433 -7.558 1.00 13.42 C ATOM 0 H PHE A 52 4.153 -2.271 -6.579 1.00 55.52 H new ATOM 0 HA PHE A 52 4.860 0.114 -8.181 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.900 0.001 -5.269 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.499 1.440 -6.070 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.860 -1.160 -6.504 1.00 50.44 H new ATOM 0 HD2 PHE A 52 2.956 2.895 -6.988 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.458 -0.623 -7.273 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.639 3.428 -7.758 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.041 1.665 -7.890 1.00 13.42 H new ATOM 927 N LEU A 53 7.108 0.134 -7.177 1.00 0.05 N ATOM 928 CA LEU A 53 8.485 0.011 -6.731 1.00 15.10 C ATOM 929 C LEU A 53 8.879 1.268 -5.953 1.00 53.33 C ATOM 930 O LEU A 53 9.123 2.318 -6.544 1.00 23.21 O ATOM 931 CB LEU A 53 9.406 -0.291 -7.916 1.00 22.22 C ATOM 932 CG LEU A 53 9.474 -1.755 -8.355 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.404 -1.924 -9.559 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.877 -2.660 -7.189 1.00 70.04 C ATOM 0 H LEU A 53 6.959 0.818 -7.919 1.00 0.05 H new ATOM 0 HA LEU A 53 8.591 -0.833 -6.049 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.080 0.308 -8.766 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.413 0.039 -7.661 1.00 22.22 H new ATOM 0 HG LEU A 53 8.477 -2.063 -8.671 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.434 -2.974 -9.851 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.033 -1.326 -10.392 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.408 -1.592 -9.293 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.918 -3.695 -7.529 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.857 -2.361 -6.818 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.143 -2.570 -6.388 1.00 70.04 H new ATOM 946 N VAL A 54 8.929 1.118 -4.638 1.00 12.25 N ATOM 947 CA VAL A 54 9.289 2.228 -3.770 1.00 54.11 C ATOM 948 C VAL A 54 10.800 2.215 -3.533 1.00 53.14 C ATOM 949 O VAL A 54 11.399 1.151 -3.385 1.00 2.34 O ATOM 950 CB VAL A 54 8.479 2.163 -2.474 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.453 3.525 -1.776 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.060 1.656 -2.739 1.00 33.12 C ATOM 0 H VAL A 54 8.726 0.245 -4.151 1.00 12.25 H new ATOM 0 HA VAL A 54 9.043 3.179 -4.243 1.00 54.11 H new ATOM 0 HB VAL A 54 8.969 1.453 -1.807 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.871 3.452 -0.857 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.472 3.831 -1.537 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.998 4.263 -2.436 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.506 1.619 -1.801 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.556 2.330 -3.432 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.106 0.657 -3.173 1.00 33.12 H new ATOM 962 N PRO A 55 11.389 3.440 -3.502 1.00 45.33 N ATOM 963 CA PRO A 55 12.818 3.579 -3.285 1.00 0.21 C ATOM 964 C PRO A 55 13.176 3.332 -1.818 1.00 50.22 C ATOM 965 O PRO A 55 12.502 3.831 -0.918 1.00 54.10 O ATOM 966 CB PRO A 55 13.152 4.987 -3.749 1.00 72.21 C ATOM 967 CG PRO A 55 11.833 5.742 -3.773 1.00 64.33 C ATOM 968 CD PRO A 55 10.710 4.721 -3.674 1.00 22.13 C ATOM 0 HA PRO A 55 13.401 2.843 -3.839 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.862 5.463 -3.073 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.612 4.974 -4.737 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.782 6.448 -2.944 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.742 6.322 -4.691 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.052 4.937 -2.832 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.091 4.724 -4.571 1.00 22.13 H new ATOM 976 N ASP A 56 14.237 2.563 -1.622 1.00 15.23 N ATOM 977 CA ASP A 56 14.694 2.245 -0.280 1.00 24.22 C ATOM 978 C ASP A 56 15.622 3.355 0.216 1.00 33.22 C ATOM 979 O ASP A 56 16.707 3.079 0.726 1.00 24.04 O ATOM 980 CB ASP A 56 15.475 0.931 -0.261 1.00 14.44 C ATOM 981 CG ASP A 56 16.896 1.015 -0.826 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.868 0.615 -0.170 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.983 1.524 -2.008 1.00 53.21 O ATOM 0 H ASP A 56 14.794 2.151 -2.371 1.00 15.23 H new ATOM 0 HA ASP A 56 13.817 2.152 0.361 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.529 0.573 0.767 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.918 0.186 -0.829 1.00 14.44 H new ATOM 989 N HIS A 57 15.163 4.586 0.047 1.00 42.54 N ATOM 990 CA HIS A 57 15.940 5.739 0.471 1.00 33.12 C ATOM 991 C HIS A 57 14.998 6.893 0.818 1.00 34.15 C ATOM 992 O HIS A 57 15.404 8.054 0.815 1.00 74.42 O ATOM 993 CB HIS A 57 16.974 6.118 -0.592 1.00 42.14 C ATOM 994 CG HIS A 57 16.458 7.082 -1.634 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.121 7.168 -1.979 1.00 2.30 N ATOM 996 CD2 HIS A 57 17.114 7.998 -2.402 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.989 8.097 -2.914 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.226 8.611 -3.175 1.00 2.34 N ATOM 0 H HIS A 57 14.263 4.811 -0.378 1.00 42.54 H new ATOM 0 HA HIS A 57 16.503 5.491 1.371 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.840 6.560 -0.100 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.318 5.211 -1.089 1.00 42.14 H new ATOM 0 HD2 HIS A 57 18.176 8.192 -2.384 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.065 8.395 -3.387 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.434 9.345 -3.852 1.00 2.34 H new ATOM 1006 N VAL A 58 13.756 6.533 1.111 1.00 51.30 N ATOM 1007 CA VAL A 58 12.752 7.524 1.460 1.00 21.42 C ATOM 1008 C VAL A 58 11.931 7.015 2.647 1.00 52.34 C ATOM 1009 O VAL A 58 12.313 6.045 3.299 1.00 3.12 O ATOM 1010 CB VAL A 58 11.894 7.853 0.238 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.750 8.421 -0.896 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.110 6.625 -0.230 1.00 52.14 C ATOM 0 H VAL A 58 13.423 5.569 1.114 1.00 51.30 H new ATOM 0 HA VAL A 58 13.226 8.456 1.768 1.00 21.42 H new ATOM 0 HB VAL A 58 11.175 8.618 0.531 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.115 8.646 -1.753 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.242 9.333 -0.559 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.503 7.688 -1.185 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.508 6.887 -1.100 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.805 5.829 -0.496 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.457 6.283 0.573 1.00 52.14 H new ATOM 1022 N ASN A 59 10.820 7.694 2.891 1.00 3.10 N ATOM 1023 CA ASN A 59 9.942 7.322 3.988 1.00 53.34 C ATOM 1024 C ASN A 59 8.585 6.896 3.427 1.00 32.55 C ATOM 1025 O ASN A 59 8.149 7.400 2.393 1.00 53.32 O ATOM 1026 CB ASN A 59 9.713 8.503 4.933 1.00 31.55 C ATOM 1027 CG ASN A 59 9.986 9.833 4.227 1.00 54.00 C ATOM 1028 OD1 ASN A 59 8.984 10.252 3.459 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.036 10.437 4.369 1.00 14.31 N flip ATOM 0 H ASN A 59 10.508 8.499 2.348 1.00 3.10 H new ATOM 0 HA ASN A 59 10.413 6.506 4.536 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.687 8.486 5.300 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.364 8.409 5.802 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.764 10.058 4.974 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.186 11.321 3.882 1.00 14.31 H new ATOM 1036 N MET A 60 7.953 5.970 4.134 1.00 53.42 N ATOM 1037 CA MET A 60 6.653 5.469 3.720 1.00 63.50 C ATOM 1038 C MET A 60 5.748 6.612 3.254 1.00 72.03 C ATOM 1039 O MET A 60 4.850 6.404 2.440 1.00 33.53 O ATOM 1040 CB MET A 60 5.991 4.738 4.890 1.00 54.13 C ATOM 1041 CG MET A 60 5.302 5.724 5.833 1.00 71.53 C ATOM 1042 SD MET A 60 3.632 6.032 5.283 1.00 50.24 S ATOM 1043 CE MET A 60 3.009 4.361 5.236 1.00 24.12 C ATOM 0 H MET A 60 8.317 5.554 4.991 1.00 53.42 H new ATOM 0 HA MET A 60 6.798 4.782 2.886 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.262 4.022 4.510 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.741 4.168 5.439 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.291 5.323 6.847 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.861 6.659 5.866 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.919 4.379 5.245 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.356 3.869 4.328 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.370 3.813 6.106 1.00 24.12 H new ATOM 1053 N SER A 61 6.016 7.793 3.791 1.00 31.15 N ATOM 1054 CA SER A 61 5.238 8.968 3.441 1.00 60.52 C ATOM 1055 C SER A 61 5.263 9.181 1.926 1.00 5.42 C ATOM 1056 O SER A 61 4.222 9.402 1.309 1.00 42.35 O ATOM 1057 CB SER A 61 5.763 10.212 4.161 1.00 24.14 C ATOM 1058 OG SER A 61 5.969 11.301 3.264 1.00 33.42 O ATOM 0 H SER A 61 6.762 7.961 4.466 1.00 31.15 H new ATOM 0 HA SER A 61 4.209 8.804 3.761 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.055 10.509 4.935 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.701 9.972 4.662 1.00 24.14 H new ATOM 0 HG SER A 61 6.913 11.335 3.002 1.00 33.42 H new ATOM 1064 N GLU A 62 6.464 9.107 1.371 1.00 43.34 N ATOM 1065 CA GLU A 62 6.638 9.289 -0.060 1.00 62.30 C ATOM 1066 C GLU A 62 5.611 8.457 -0.831 1.00 2.22 C ATOM 1067 O GLU A 62 4.903 8.979 -1.689 1.00 1.22 O ATOM 1068 CB GLU A 62 8.064 8.932 -0.487 1.00 23.32 C ATOM 1069 CG GLU A 62 8.984 10.152 -0.400 1.00 33.21 C ATOM 1070 CD GLU A 62 10.059 10.107 -1.488 1.00 21.13 C ATOM 1071 OE1 GLU A 62 10.806 11.082 -1.662 1.00 65.32 O ATOM 1072 OE2 GLU A 62 10.105 9.009 -2.164 1.00 22.24 O ATOM 0 H GLU A 62 7.325 8.924 1.886 1.00 43.34 H new ATOM 0 HA GLU A 62 6.474 10.341 -0.296 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.449 8.135 0.149 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.057 8.549 -1.508 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.396 11.064 -0.503 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.456 10.186 0.582 1.00 33.21 H new ATOM 1080 N LEU A 63 5.564 7.176 -0.495 1.00 75.35 N ATOM 1081 CA LEU A 63 4.635 6.267 -1.145 1.00 71.31 C ATOM 1082 C LEU A 63 3.247 6.910 -1.192 1.00 34.30 C ATOM 1083 O LEU A 63 2.485 6.683 -2.131 1.00 74.31 O ATOM 1084 CB LEU A 63 4.656 4.899 -0.459 1.00 53.52 C ATOM 1085 CG LEU A 63 3.346 4.108 -0.500 1.00 3.21 C ATOM 1086 CD1 LEU A 63 2.955 3.768 -1.939 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.432 2.861 0.382 1.00 23.34 C ATOM 0 H LEU A 63 6.153 6.746 0.218 1.00 75.35 H new ATOM 0 HA LEU A 63 4.938 6.086 -2.176 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.437 4.295 -0.921 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.939 5.042 0.584 1.00 53.52 H new ATOM 0 HG LEU A 63 2.554 4.736 -0.093 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.021 3.206 -1.939 1.00 21.14 H new ATOM 0 HD12 LEU A 63 2.825 4.689 -2.508 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.740 3.167 -2.397 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.489 2.317 0.335 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.239 2.220 0.028 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.630 3.157 1.412 1.00 23.34 H new ATOM 1099 N ILE A 64 2.961 7.700 -0.168 1.00 23.04 N ATOM 1100 CA ILE A 64 1.678 8.378 -0.080 1.00 61.52 C ATOM 1101 C ILE A 64 1.621 9.488 -1.131 1.00 62.30 C ATOM 1102 O ILE A 64 0.596 9.677 -1.784 1.00 14.00 O ATOM 1103 CB ILE A 64 1.429 8.868 1.347 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.842 7.810 2.372 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.027 9.305 1.529 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.238 6.447 2.026 1.00 54.44 C ATOM 0 H ILE A 64 3.596 7.886 0.608 1.00 23.04 H new ATOM 0 HA ILE A 64 0.865 7.687 -0.301 1.00 61.52 H new ATOM 0 HB ILE A 64 2.054 9.744 1.521 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.929 7.733 2.403 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.516 8.115 3.366 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.178 9.649 2.552 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.253 10.116 0.836 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.688 8.462 1.328 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.547 5.713 2.770 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.151 6.522 2.020 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.586 6.134 1.041 1.00 54.44 H new ATOM 1118 N LYS A 65 2.734 10.193 -1.263 1.00 65.21 N ATOM 1119 CA LYS A 65 2.823 11.280 -2.223 1.00 4.50 C ATOM 1120 C LYS A 65 2.701 10.714 -3.639 1.00 41.42 C ATOM 1121 O LYS A 65 2.115 11.347 -4.516 1.00 64.31 O ATOM 1122 CB LYS A 65 4.098 12.094 -1.995 1.00 50.41 C ATOM 1123 CG LYS A 65 4.184 12.584 -0.548 1.00 31.50 C ATOM 1124 CD LYS A 65 5.536 13.246 -0.273 1.00 14.42 C ATOM 1125 CE LYS A 65 5.779 14.415 -1.229 1.00 43.24 C ATOM 1126 NZ LYS A 65 4.718 15.435 -1.080 1.00 21.21 N ATOM 0 H LYS A 65 3.583 10.033 -0.721 1.00 65.21 H new ATOM 0 HA LYS A 65 1.998 11.978 -2.085 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.970 11.483 -2.228 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.115 12.947 -2.673 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.381 13.294 -0.352 1.00 31.50 H new ATOM 0 HG3 LYS A 65 4.041 11.745 0.133 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.568 13.601 0.757 1.00 14.42 H new ATOM 0 HD3 LYS A 65 6.334 12.511 -0.382 1.00 14.42 H new ATOM 0 HE2 LYS A 65 6.752 14.862 -1.026 1.00 43.24 H new ATOM 0 HE3 LYS A 65 5.802 14.053 -2.257 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.048 16.339 -1.474 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 3.865 15.126 -1.589 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 4.494 15.558 -0.072 1.00 21.21 H new ATOM 1139 N ILE A 66 3.262 9.528 -3.819 1.00 54.04 N ATOM 1140 CA ILE A 66 3.223 8.869 -5.114 1.00 32.11 C ATOM 1141 C ILE A 66 1.795 8.398 -5.398 1.00 63.23 C ATOM 1142 O ILE A 66 1.201 8.778 -6.405 1.00 3.21 O ATOM 1143 CB ILE A 66 4.264 7.750 -5.178 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.637 8.253 -4.729 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.311 7.123 -6.573 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.252 9.179 -5.780 1.00 42.45 C ATOM 0 H ILE A 66 3.747 9.005 -3.089 1.00 54.04 H new ATOM 0 HA ILE A 66 3.492 9.568 -5.906 1.00 32.11 H new ATOM 0 HB ILE A 66 3.965 6.965 -4.483 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.542 8.784 -3.782 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.299 7.405 -4.554 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.059 6.331 -6.591 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.334 6.705 -6.817 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.573 7.886 -7.306 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.228 9.523 -5.436 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.368 8.637 -6.719 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.599 10.038 -5.935 1.00 42.45 H new ATOM 1158 N ILE A 67 1.286 7.576 -4.492 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.061 7.048 -4.633 1.00 32.34 C ATOM 1160 C ILE A 67 -1.012 8.186 -5.011 1.00 73.40 C ATOM 1161 O ILE A 67 -1.525 8.224 -6.129 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.475 6.294 -3.368 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.318 4.995 -3.219 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.986 6.050 -3.346 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.105 3.970 -4.272 1.00 74.11 C ATOM 0 H ILE A 67 1.782 7.263 -3.658 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.102 6.316 -5.440 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.236 6.916 -2.506 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.384 5.202 -3.316 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.163 4.583 -2.222 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.255 5.512 -2.437 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.509 7.006 -3.370 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.272 5.458 -4.215 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.474 3.056 -4.143 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.166 3.747 -4.157 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.074 4.376 -5.268 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.219 9.083 -4.059 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.099 10.217 -4.278 1.00 13.42 C ATOM 1179 C ARG A 68 -1.834 10.838 -5.652 1.00 51.22 C ATOM 1180 O ARG A 68 -2.769 11.186 -6.370 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.904 11.283 -3.198 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.523 11.932 -3.312 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.241 12.837 -2.111 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.391 13.739 -1.877 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.628 14.377 -0.711 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.794 14.217 0.339 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -2.686 15.159 -0.613 1.00 64.55 N ATOM 0 H ARG A 68 -0.792 9.047 -3.133 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.125 9.853 -4.232 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.677 12.046 -3.291 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.018 10.832 -2.212 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.242 11.158 -3.376 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.466 12.514 -4.232 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.057 12.231 -1.224 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.661 13.423 -2.290 1.00 24.23 H new ATOM 0 HE ARG A 68 -2.046 13.888 -2.645 1.00 63.13 H new ATOM 0 HH11 ARG A 68 0.022 13.611 0.254 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -0.980 14.703 1.217 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -3.311 15.274 -1.411 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.879 15.648 0.261 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.554 10.956 -5.975 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.154 11.528 -7.248 1.00 45.24 C ATOM 1202 C ARG A 69 -0.679 10.673 -8.403 1.00 0.14 C ATOM 1203 O ARG A 69 -1.060 11.199 -9.447 1.00 4.20 O ATOM 1204 CB ARG A 69 1.368 11.632 -7.351 1.00 70.32 C ATOM 1205 CG ARG A 69 1.855 13.013 -6.906 1.00 44.21 C ATOM 1206 CD ARG A 69 1.742 14.028 -8.045 1.00 0.22 C ATOM 1207 NE ARG A 69 2.742 13.726 -9.093 1.00 10.40 N ATOM 1208 CZ ARG A 69 2.656 14.159 -10.369 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.611 14.919 -10.766 1.00 43.44 N ATOM 1210 NH2 ARG A 69 3.606 13.829 -11.224 1.00 11.44 N ATOM 0 H ARG A 69 0.219 10.665 -5.376 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.580 12.529 -7.310 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.831 10.863 -6.733 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.680 11.446 -8.379 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.268 13.352 -6.053 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.891 12.948 -6.574 1.00 44.21 H new ATOM 0 HD2 ARG A 69 0.738 14.000 -8.470 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.898 15.036 -7.661 1.00 0.22 H new ATOM 0 HE ARG A 69 3.547 13.155 -8.835 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.880 15.169 -10.100 1.00 43.44 H new ATOM 0 HH12 ARG A 69 1.553 15.242 -11.732 1.00 43.44 H new ATOM 0 HH21 ARG A 69 4.391 13.254 -10.917 1.00 11.44 H new ATOM 0 HH22 ARG A 69 3.555 14.148 -12.191 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.682 9.367 -8.176 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.155 8.433 -9.185 1.00 12.55 C ATOM 1225 C ARG A 70 -2.660 8.600 -9.398 1.00 23.22 C ATOM 1226 O ARG A 70 -3.127 8.654 -10.535 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.861 6.989 -8.777 1.00 25.13 C ATOM 1228 CG ARG A 70 0.615 6.810 -8.415 1.00 50.40 C ATOM 1229 CD ARG A 70 1.322 5.904 -9.425 1.00 24.25 C ATOM 1230 NE ARG A 70 2.115 6.722 -10.370 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.110 6.234 -11.142 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.442 4.926 -11.088 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.754 7.056 -11.951 1.00 40.12 N ATOM 0 H ARG A 70 -0.365 8.934 -7.309 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.628 8.651 -10.114 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.484 6.714 -7.926 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.123 6.316 -9.594 1.00 25.13 H new ATOM 0 HG2 ARG A 70 1.107 7.782 -8.387 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.699 6.382 -7.416 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.973 5.202 -8.903 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.588 5.312 -9.971 1.00 24.25 H new ATOM 0 HE ARG A 70 1.897 7.716 -10.443 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.940 4.298 -10.461 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.195 4.566 -11.675 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.497 8.043 -11.986 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.508 6.704 -12.541 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.378 8.677 -8.288 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.822 8.836 -8.340 1.00 61.25 C ATOM 1248 C LEU A 71 -5.159 10.184 -8.979 1.00 45.53 C ATOM 1249 O LEU A 71 -6.309 10.434 -9.338 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.432 8.644 -6.950 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.262 7.256 -6.329 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.215 7.341 -4.801 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.352 6.299 -6.815 1.00 31.15 C ATOM 0 H LEU A 71 -2.987 8.632 -7.347 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.268 8.065 -8.968 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.990 9.378 -6.276 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.498 8.866 -7.009 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.306 6.850 -6.660 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.094 6.341 -4.385 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.375 7.965 -4.497 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.143 7.777 -4.432 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.207 5.320 -6.358 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.330 6.689 -6.534 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.296 6.205 -7.900 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.137 11.017 -9.101 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.310 12.334 -9.690 1.00 2.32 C ATOM 1267 C GLN A 72 -5.550 13.017 -9.110 1.00 41.52 C ATOM 1268 O GLN A 72 -6.305 13.662 -9.835 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.398 12.245 -11.216 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.584 11.381 -11.648 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.805 11.469 -13.159 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.776 12.532 -13.756 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -6.024 10.294 -13.743 1.00 53.14 N ATOM 0 H GLN A 72 -3.185 10.806 -8.802 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.437 12.938 -9.443 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.500 13.245 -11.637 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.474 11.825 -11.613 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.406 10.344 -11.363 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.484 11.705 -11.126 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -6.035 9.441 -13.184 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -6.181 10.246 -14.750 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.722 12.851 -7.806 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.858 13.443 -7.120 1.00 53.22 C ATOM 1284 C LEU A 73 -6.568 14.919 -6.844 1.00 1.12 C ATOM 1285 O LEU A 73 -5.529 15.438 -7.250 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.203 12.639 -5.865 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.190 11.117 -6.018 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.770 10.437 -4.714 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.542 10.605 -6.521 1.00 40.04 C ATOM 0 H LEU A 73 -5.094 12.315 -7.207 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.747 13.405 -7.750 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.499 12.911 -5.079 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.193 12.941 -5.525 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.446 10.857 -6.771 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.769 9.356 -4.851 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.769 10.768 -4.437 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.472 10.702 -3.923 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.506 9.520 -6.621 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.322 10.878 -5.810 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.762 11.052 -7.491 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.504 15.555 -6.155 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.363 16.961 -5.820 1.00 74.20 C ATOM 1303 C ASN A 74 -7.411 17.127 -4.299 1.00 51.40 C ATOM 1304 O ASN A 74 -7.525 16.144 -3.568 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.501 17.788 -6.422 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.165 18.226 -7.849 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.145 18.841 -8.113 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.077 17.875 -8.751 1.00 1.30 N ATOM 0 H ASN A 74 -8.364 15.121 -5.819 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.412 17.309 -6.223 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.420 17.201 -6.425 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -8.685 18.666 -5.802 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -8.945 18.120 -9.732 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -9.909 17.360 -8.462 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.322 18.376 -3.869 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.356 18.682 -2.449 1.00 24.42 C ATOM 1317 C ALA A 75 -8.769 18.446 -1.912 1.00 44.43 C ATOM 1318 O ALA A 75 -8.963 18.297 -0.707 1.00 11.42 O ATOM 1319 CB ALA A 75 -6.880 20.120 -2.226 1.00 14.40 C ATOM 0 H ALA A 75 -7.226 19.188 -4.478 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.682 18.025 -1.899 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.905 20.351 -1.161 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.861 20.227 -2.597 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.535 20.807 -2.762 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.720 18.419 -2.835 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.109 18.203 -2.470 1.00 24.12 C ATOM 1327 C ASN A 76 -11.338 16.713 -2.205 1.00 74.34 C ATOM 1328 O ASN A 76 -12.241 16.343 -1.456 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.049 18.632 -3.599 1.00 13.50 C ATOM 1330 CG ASN A 76 -13.507 18.614 -3.137 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.028 19.580 -2.605 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -14.133 17.464 -3.368 1.00 33.55 N ATOM 0 H ASN A 76 -9.555 18.543 -3.834 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.319 18.797 -1.580 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -11.783 19.634 -3.937 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -11.926 17.965 -4.452 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -15.109 17.351 -3.095 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -13.637 16.695 -3.818 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.504 15.899 -2.835 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.604 14.457 -2.677 1.00 23.14 C ATOM 1341 C GLN A 77 -9.713 13.988 -1.525 1.00 75.30 C ATOM 1342 O GLN A 77 -8.533 14.332 -1.467 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.243 13.738 -3.978 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.068 12.236 -3.743 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.409 11.571 -3.425 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.524 11.160 -2.166 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.282 11.440 -4.268 1.00 2.12 N flip ATOM 0 H GLN A 77 -9.756 16.210 -3.455 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.637 14.206 -2.437 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.024 13.905 -4.719 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.322 14.156 -4.385 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.630 11.774 -4.628 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.372 12.072 -2.920 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.129 11.779 -5.218 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -13.165 10.992 -4.023 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.312 13.208 -0.637 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.588 12.687 0.510 1.00 43.41 C ATOM 1358 C ALA A 78 -9.054 11.291 0.180 1.00 61.31 C ATOM 1359 O ALA A 78 -9.802 10.431 -0.283 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.505 12.687 1.735 1.00 61.34 C ATOM 0 H ALA A 78 -11.290 12.924 -0.689 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.732 13.320 0.744 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.962 12.296 2.596 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.833 13.705 1.944 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.374 12.059 1.539 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.767 11.110 0.431 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.124 9.834 0.167 1.00 50.43 C ATOM 1368 C PHE A 79 -6.220 9.424 1.331 1.00 43.02 C ATOM 1369 O PHE A 79 -5.454 10.239 1.844 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.270 10.016 -1.088 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.998 9.166 -1.103 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -5.079 7.823 -1.308 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.786 9.752 -0.912 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.898 7.034 -1.322 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.605 8.963 -0.926 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.686 7.620 -1.131 1.00 20.55 C ATOM 0 H PHE A 79 -7.151 11.826 0.815 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.877 9.057 0.037 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.871 9.768 -1.963 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.994 11.067 -1.178 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -6.041 7.357 -1.460 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.721 10.818 -0.750 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.963 5.968 -1.484 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.643 9.429 -0.774 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.788 7.020 -1.142 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.337 8.161 1.712 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.540 7.632 2.806 1.00 53.43 C ATOM 1388 C PHE A 80 -5.125 6.185 2.532 1.00 1.31 C ATOM 1389 O PHE A 80 -5.973 5.298 2.444 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.417 7.670 4.059 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.491 9.046 4.725 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.353 9.663 5.141 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.696 9.651 4.901 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -5.422 10.940 5.758 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -7.766 10.929 5.520 1.00 2.11 C ATOM 1396 CZ PHE A 80 -6.626 11.545 5.935 1.00 53.22 C ATOM 0 H PHE A 80 -6.972 7.488 1.283 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.634 8.225 2.926 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.425 7.351 3.794 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.034 6.949 4.781 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.396 9.182 5.002 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.600 9.161 4.571 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -4.518 11.431 6.087 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -8.723 11.410 5.661 1.00 2.11 H new ATOM 0 HZ PHE A 80 -6.678 12.516 6.406 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.820 5.992 2.407 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.281 4.667 2.145 1.00 10.45 C ATOM 1408 C LEU A 81 -3.112 3.920 3.469 1.00 41.41 C ATOM 1409 O LEU A 81 -2.364 4.358 4.343 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.995 4.764 1.324 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.806 3.698 0.243 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.329 3.541 -0.120 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.438 2.370 0.666 1.00 32.24 C ATOM 0 H LEU A 81 -3.120 6.730 2.482 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.975 4.086 1.537 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.964 5.744 0.848 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.147 4.714 2.007 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.324 4.028 -0.657 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.223 2.777 -0.890 1.00 70.10 H new ATOM 0 HD12 LEU A 81 0.057 4.490 -0.494 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.234 3.244 0.765 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -2.289 1.630 -0.120 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.970 2.021 1.586 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.506 2.512 0.833 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.819 2.805 3.577 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.755 1.992 4.781 1.00 2.41 C ATOM 1427 C LEU A 82 -2.694 0.904 4.601 1.00 23.30 C ATOM 1428 O LEU A 82 -2.791 0.082 3.691 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.141 1.447 5.133 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.213 2.493 5.445 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -6.004 3.092 6.837 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.263 3.569 4.359 1.00 2.33 C ATOM 0 H LEU A 82 -4.439 2.445 2.851 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.449 2.598 5.634 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.490 0.834 4.302 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.042 0.788 5.996 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.184 1.997 5.450 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.779 3.833 7.034 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -6.059 2.301 7.585 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -5.025 3.569 6.884 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.033 4.300 4.606 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.296 4.068 4.297 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.495 3.107 3.399 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.707 0.935 5.484 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.629 -0.038 5.434 1.00 54.23 C ATOM 1446 C VAL A 83 -1.032 -1.281 6.230 1.00 0.12 C ATOM 1447 O VAL A 83 -1.084 -1.245 7.459 1.00 11.13 O ATOM 1448 CB VAL A 83 0.673 0.595 5.933 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.630 -0.469 6.471 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.337 1.423 4.830 1.00 25.30 C ATOM 0 H VAL A 83 -1.631 1.618 6.238 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.448 -0.354 4.407 1.00 54.23 H new ATOM 0 HB VAL A 83 0.425 1.267 6.754 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.546 0.008 6.819 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.159 -0.997 7.300 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.868 -1.178 5.678 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.260 1.862 5.210 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.564 0.780 3.979 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.661 2.217 4.514 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.305 -2.351 5.498 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.702 -3.602 6.121 1.00 22.42 C ATOM 1462 C ASN A 84 -3.130 -3.470 6.657 1.00 41.23 C ATOM 1463 O ASN A 84 -3.605 -4.338 7.388 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.786 -3.947 7.296 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.146 -5.323 7.106 1.00 20.31 C ATOM 1466 OD1 ASN A 84 0.993 -5.300 6.419 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.651 -6.340 7.554 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.259 -2.377 4.479 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.636 -4.389 5.369 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.008 -3.190 7.390 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.358 -3.933 8.224 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.528 -6.288 8.073 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.196 -7.242 7.410 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.773 -2.377 6.273 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.136 -2.120 6.706 1.00 4.21 C ATOM 1476 C GLY A 85 -5.172 -1.056 7.804 1.00 61.15 C ATOM 1477 O GLY A 85 -6.235 -0.745 8.339 1.00 20.01 O ATOM 0 H GLY A 85 -3.375 -1.659 5.667 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.735 -1.791 5.857 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.584 -3.043 7.074 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.995 -0.526 8.109 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.878 0.497 9.134 1.00 11.12 C ATOM 1483 C HIS A 86 -3.195 1.735 8.548 1.00 50.33 C ATOM 1484 O HIS A 86 -2.143 1.629 7.919 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.156 -0.050 10.367 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.757 -0.546 10.090 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.774 0.254 9.537 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.188 -1.768 10.298 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.333 -0.464 9.419 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.074 -1.718 9.891 1.00 4.14 N ATOM 0 H HIS A 86 -3.115 -0.786 7.664 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.871 0.797 9.469 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -3.110 0.732 11.125 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.743 -0.867 10.787 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.883 1.231 9.266 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.681 -2.630 10.722 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.275 -0.118 9.020 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.740 -2.489 9.925 1.00 4.14 H new ATOM 1498 N SER A 87 -3.822 2.879 8.773 1.00 21.12 N ATOM 1499 CA SER A 87 -3.289 4.136 8.275 1.00 35.33 C ATOM 1500 C SER A 87 -1.875 4.356 8.818 1.00 12.03 C ATOM 1501 O SER A 87 -1.409 3.601 9.670 1.00 44.20 O ATOM 1502 CB SER A 87 -4.192 5.309 8.660 1.00 21.01 C ATOM 1503 OG SER A 87 -4.990 5.016 9.804 1.00 72.54 O ATOM 0 H SER A 87 -4.695 2.963 9.294 1.00 21.12 H new ATOM 0 HA SER A 87 -3.251 4.084 7.187 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.579 6.188 8.861 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.840 5.558 7.820 1.00 21.01 H new ATOM 0 HG SER A 87 -5.811 4.561 9.522 1.00 72.54 H new ATOM 1509 N MET A 88 -1.232 5.392 8.302 1.00 23.44 N ATOM 1510 CA MET A 88 0.120 5.720 8.723 1.00 70.11 C ATOM 1511 C MET A 88 0.171 7.106 9.371 1.00 34.21 C ATOM 1512 O MET A 88 1.103 7.872 9.132 1.00 30.24 O ATOM 1513 CB MET A 88 1.055 5.688 7.512 1.00 23.21 C ATOM 1514 CG MET A 88 0.356 6.235 6.266 1.00 12.04 C ATOM 1515 SD MET A 88 -0.079 7.950 6.513 1.00 73.31 S ATOM 1516 CE MET A 88 -1.837 7.870 6.213 1.00 51.33 C ATOM 0 H MET A 88 -1.622 6.016 7.596 1.00 23.44 H new ATOM 0 HA MET A 88 0.440 4.983 9.459 1.00 70.11 H new ATOM 0 HB2 MET A 88 1.947 6.278 7.721 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.384 4.665 7.329 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.011 6.138 5.400 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.540 5.651 6.055 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.158 8.771 5.691 1.00 51.33 H new ATOM 0 HE2 MET A 88 -2.062 6.996 5.601 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.365 7.794 7.163 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.843 7.385 10.177 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.925 8.664 10.861 1.00 62.21 C ATOM 1528 C VAL A 89 0.472 9.079 11.328 1.00 24.13 C ATOM 1529 O VAL A 89 0.776 10.268 11.406 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.936 8.582 12.006 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.331 7.880 13.223 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.459 9.970 12.377 1.00 72.21 C ATOM 0 H VAL A 89 -1.615 6.747 10.372 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.285 9.437 10.182 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.782 7.987 11.663 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.071 7.835 14.022 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -1.032 6.868 12.948 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.458 8.435 13.567 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.176 9.882 13.193 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.627 10.600 12.691 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.948 10.418 11.512 1.00 72.21 H new ATOM 1542 N SER A 90 1.285 8.075 11.623 1.00 43.15 N ATOM 1543 CA SER A 90 2.642 8.322 12.079 1.00 5.54 C ATOM 1544 C SER A 90 3.643 7.689 11.108 1.00 40.34 C ATOM 1545 O SER A 90 3.835 6.475 11.114 1.00 35.33 O ATOM 1546 CB SER A 90 2.856 7.776 13.492 1.00 14.32 C ATOM 1547 OG SER A 90 2.451 8.707 14.491 1.00 2.52 O ATOM 0 H SER A 90 1.030 7.090 11.555 1.00 43.15 H new ATOM 0 HA SER A 90 2.803 9.400 12.107 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.295 6.849 13.611 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.909 7.531 13.630 1.00 14.32 H new ATOM 0 HG SER A 90 2.602 8.320 15.379 1.00 2.52 H new ATOM 1553 N VAL A 91 4.253 8.543 10.299 1.00 73.43 N ATOM 1554 CA VAL A 91 5.228 8.083 9.325 1.00 23.12 C ATOM 1555 C VAL A 91 6.627 8.516 9.768 1.00 2.11 C ATOM 1556 O VAL A 91 7.113 9.570 9.360 1.00 34.04 O ATOM 1557 CB VAL A 91 4.858 8.594 7.932 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.118 9.931 8.016 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.097 8.708 7.042 1.00 15.53 C ATOM 0 H VAL A 91 4.091 9.550 10.298 1.00 73.43 H new ATOM 0 HA VAL A 91 5.226 6.994 9.268 1.00 23.12 H new ATOM 0 HB VAL A 91 4.185 7.867 7.477 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.867 10.272 7.012 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.204 9.805 8.596 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.756 10.670 8.501 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.805 9.073 6.057 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.805 9.403 7.492 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.564 7.728 6.942 1.00 15.53 H new ATOM 1569 N SER A 92 7.237 7.681 10.597 1.00 1.13 N ATOM 1570 CA SER A 92 8.569 7.964 11.099 1.00 51.40 C ATOM 1571 C SER A 92 9.506 6.794 10.788 1.00 74.42 C ATOM 1572 O SER A 92 10.568 6.667 11.393 1.00 22.05 O ATOM 1573 CB SER A 92 8.545 8.238 12.604 1.00 12.45 C ATOM 1574 OG SER A 92 9.706 8.940 13.039 1.00 11.51 O ATOM 0 H SER A 92 6.832 6.807 10.933 1.00 1.13 H new ATOM 0 HA SER A 92 8.938 8.860 10.600 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.656 8.819 12.852 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.470 7.294 13.143 1.00 12.45 H new ATOM 0 HG SER A 92 10.506 8.507 12.675 1.00 11.51 H new ATOM 1580 N THR A 93 9.076 5.969 9.843 1.00 61.14 N ATOM 1581 CA THR A 93 9.863 4.815 9.445 1.00 63.22 C ATOM 1582 C THR A 93 10.013 4.772 7.923 1.00 21.35 C ATOM 1583 O THR A 93 9.105 5.167 7.194 1.00 40.15 O ATOM 1584 CB THR A 93 9.195 3.565 10.024 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.554 3.588 11.402 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.819 2.271 9.497 1.00 72.01 C ATOM 0 H THR A 93 8.194 6.077 9.343 1.00 61.14 H new ATOM 0 HA THR A 93 10.877 4.873 9.840 1.00 63.22 H new ATOM 0 HB THR A 93 8.131 3.578 9.786 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.161 2.813 11.855 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.309 1.415 9.939 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.718 2.234 8.412 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.875 2.241 9.764 1.00 72.01 H new ATOM 1594 N PRO A 94 11.200 4.277 7.476 1.00 14.14 N ATOM 1595 CA PRO A 94 11.481 4.178 6.055 1.00 74.20 C ATOM 1596 C PRO A 94 10.717 3.012 5.424 1.00 15.02 C ATOM 1597 O PRO A 94 10.550 1.965 6.047 1.00 45.33 O ATOM 1598 CB PRO A 94 12.990 4.018 5.962 1.00 44.34 C ATOM 1599 CG PRO A 94 13.446 3.569 7.342 1.00 22.42 C ATOM 1600 CD PRO A 94 12.298 3.800 8.310 1.00 54.04 C ATOM 0 HA PRO A 94 11.152 5.056 5.500 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.259 3.283 5.203 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.466 4.957 5.679 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.727 2.516 7.327 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.327 4.130 7.654 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.029 2.881 8.831 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.564 4.533 9.072 1.00 54.04 H new ATOM 1608 N ILE A 95 10.274 3.232 4.195 1.00 43.23 N ATOM 1609 CA ILE A 95 9.531 2.213 3.473 1.00 11.34 C ATOM 1610 C ILE A 95 10.334 0.910 3.469 1.00 4.52 C ATOM 1611 O ILE A 95 9.774 -0.168 3.272 1.00 11.01 O ATOM 1612 CB ILE A 95 9.159 2.711 2.075 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.122 1.793 1.424 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.405 2.877 1.203 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.778 2.507 1.267 1.00 23.35 C ATOM 0 H ILE A 95 10.415 4.101 3.681 1.00 43.23 H new ATOM 0 HA ILE A 95 8.585 2.004 3.973 1.00 11.34 H new ATOM 0 HB ILE A 95 8.701 3.695 2.173 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.481 1.468 0.448 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.993 0.897 2.031 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.113 3.232 0.215 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.078 3.600 1.664 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.913 1.917 1.108 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.060 1.832 0.802 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.410 2.809 2.247 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.906 3.389 0.640 1.00 23.35 H new ATOM 1627 N SER A 96 11.633 1.053 3.689 1.00 11.42 N ATOM 1628 CA SER A 96 12.518 -0.099 3.713 1.00 51.52 C ATOM 1629 C SER A 96 12.266 -0.927 4.975 1.00 41.31 C ATOM 1630 O SER A 96 12.347 -2.154 4.943 1.00 24.42 O ATOM 1631 CB SER A 96 13.984 0.332 3.646 1.00 73.11 C ATOM 1632 OG SER A 96 14.518 0.613 4.937 1.00 50.12 O ATOM 0 H SER A 96 12.093 1.948 3.852 1.00 11.42 H new ATOM 0 HA SER A 96 12.306 -0.711 2.836 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.572 -0.455 3.174 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.073 1.217 3.016 1.00 73.11 H new ATOM 0 HG SER A 96 15.456 0.883 4.851 1.00 50.12 H new ATOM 1638 N GLU A 97 11.965 -0.223 6.055 1.00 73.25 N ATOM 1639 CA GLU A 97 11.700 -0.877 7.326 1.00 22.40 C ATOM 1640 C GLU A 97 10.217 -1.234 7.439 1.00 74.43 C ATOM 1641 O GLU A 97 9.871 -2.378 7.731 1.00 53.53 O ATOM 1642 CB GLU A 97 12.145 0.001 8.498 1.00 24.31 C ATOM 1643 CG GLU A 97 13.642 0.303 8.419 1.00 14.32 C ATOM 1644 CD GLU A 97 14.466 -0.861 8.973 1.00 13.10 C ATOM 1645 OE1 GLU A 97 13.986 -1.602 9.844 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.646 -0.982 8.467 1.00 21.14 O ATOM 0 H GLU A 97 11.898 0.795 6.077 1.00 73.25 H new ATOM 0 HA GLU A 97 12.280 -1.799 7.366 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.581 0.934 8.493 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.921 -0.501 9.439 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.924 0.493 7.383 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.864 1.210 8.981 1.00 14.32 H new ATOM 1654 N VAL A 98 9.380 -0.234 7.205 1.00 73.03 N ATOM 1655 CA VAL A 98 7.942 -0.428 7.278 1.00 14.31 C ATOM 1656 C VAL A 98 7.564 -1.697 6.511 1.00 14.23 C ATOM 1657 O VAL A 98 6.624 -2.397 6.887 1.00 62.31 O ATOM 1658 CB VAL A 98 7.219 0.817 6.762 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.789 0.484 6.336 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.233 1.932 7.811 1.00 53.40 C ATOM 0 H VAL A 98 9.671 0.714 6.965 1.00 73.03 H new ATOM 0 HA VAL A 98 7.628 -0.566 8.313 1.00 14.31 H new ATOM 0 HB VAL A 98 7.755 1.176 5.883 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.298 1.387 5.973 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.810 -0.262 5.541 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.238 0.089 7.189 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.713 2.806 7.420 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.733 1.587 8.716 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.264 2.198 8.045 1.00 53.40 H new ATOM 1670 N TYR A 99 8.316 -1.957 5.452 1.00 23.41 N ATOM 1671 CA TYR A 99 8.071 -3.130 4.629 1.00 72.23 C ATOM 1672 C TYR A 99 8.655 -4.387 5.280 1.00 41.42 C ATOM 1673 O TYR A 99 8.060 -5.461 5.208 1.00 44.51 O ATOM 1674 CB TYR A 99 8.792 -2.874 3.305 1.00 73.42 C ATOM 1675 CG TYR A 99 9.105 -4.144 2.511 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.226 -4.889 2.813 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.265 -4.545 1.491 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.520 -6.085 2.066 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.559 -5.739 0.744 1.00 65.15 C ATOM 1680 CZ TYR A 99 9.672 -6.451 1.068 1.00 12.34 C ATOM 1681 OH TYR A 99 9.949 -7.580 0.362 1.00 34.03 O ATOM 0 H TYR A 99 9.096 -1.376 5.144 1.00 23.41 H new ATOM 0 HA TYR A 99 7.001 -3.291 4.498 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.178 -2.216 2.690 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.723 -2.345 3.507 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.884 -4.575 3.610 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.387 -3.962 1.254 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.394 -6.677 2.293 1.00 13.41 H new ATOM 0 HE2 TYR A 99 7.910 -6.063 -0.056 1.00 65.15 H new ATOM 0 HH TYR A 99 9.217 -7.762 -0.264 1.00 34.03 H new ATOM 1691 N GLU A 100 9.813 -4.210 5.899 1.00 24.12 N ATOM 1692 CA GLU A 100 10.483 -5.316 6.561 1.00 10.14 C ATOM 1693 C GLU A 100 9.829 -5.599 7.915 1.00 24.24 C ATOM 1694 O GLU A 100 10.210 -6.542 8.607 1.00 64.34 O ATOM 1695 CB GLU A 100 11.979 -5.034 6.723 1.00 52.12 C ATOM 1696 CG GLU A 100 12.272 -4.398 8.083 1.00 41.55 C ATOM 1697 CD GLU A 100 13.764 -4.093 8.234 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.315 -4.224 9.337 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.354 -3.708 7.154 1.00 74.24 O ATOM 0 H GLU A 100 10.304 -3.318 5.956 1.00 24.12 H new ATOM 0 HA GLU A 100 10.380 -6.203 5.937 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.541 -5.963 6.623 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.316 -4.370 5.927 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.696 -3.479 8.190 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.952 -5.070 8.879 1.00 41.55 H new ATOM 1707 N SER A 101 8.857 -4.765 8.253 1.00 23.43 N ATOM 1708 CA SER A 101 8.146 -4.914 9.512 1.00 33.22 C ATOM 1709 C SER A 101 6.676 -5.238 9.248 1.00 63.15 C ATOM 1710 O SER A 101 5.882 -5.345 10.181 1.00 0.10 O ATOM 1711 CB SER A 101 8.266 -3.649 10.364 1.00 23.11 C ATOM 1712 OG SER A 101 8.528 -3.950 11.732 1.00 11.13 O ATOM 0 H SER A 101 8.545 -3.983 7.677 1.00 23.43 H new ATOM 0 HA SER A 101 8.598 -5.737 10.065 1.00 33.22 H new ATOM 0 HB2 SER A 101 9.066 -3.022 9.971 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.344 -3.073 10.290 1.00 23.11 H new ATOM 0 HG SER A 101 8.599 -3.117 12.243 1.00 11.13 H new ATOM 1718 N GLU A 102 6.356 -5.388 7.970 1.00 74.03 N ATOM 1719 CA GLU A 102 4.994 -5.699 7.571 1.00 73.55 C ATOM 1720 C GLU A 102 4.988 -6.822 6.531 1.00 44.54 C ATOM 1721 O GLU A 102 4.278 -7.814 6.688 1.00 34.43 O ATOM 1722 CB GLU A 102 4.281 -4.455 7.037 1.00 0.30 C ATOM 1723 CG GLU A 102 4.181 -3.376 8.117 1.00 75.10 C ATOM 1724 CD GLU A 102 2.726 -3.152 8.536 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.359 -2.036 8.932 1.00 30.04 O ATOM 1726 OE2 GLU A 102 1.965 -4.189 8.436 1.00 73.01 O ATOM 0 H GLU A 102 7.017 -5.300 7.198 1.00 74.03 H new ATOM 0 HA GLU A 102 4.449 -6.041 8.450 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.821 -4.063 6.175 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.282 -4.723 6.692 1.00 0.30 H new ATOM 0 HG2 GLU A 102 4.772 -3.669 8.985 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.603 -2.443 7.744 1.00 75.10 H new ATOM 1734 N ARG A 103 5.789 -6.628 5.494 1.00 73.01 N ATOM 1735 CA ARG A 103 5.885 -7.612 4.429 1.00 11.32 C ATOM 1736 C ARG A 103 5.743 -9.025 4.998 1.00 10.30 C ATOM 1737 O ARG A 103 6.097 -9.273 6.149 1.00 22.34 O ATOM 1738 CB ARG A 103 7.222 -7.498 3.693 1.00 73.24 C ATOM 1739 CG ARG A 103 8.380 -7.943 4.588 1.00 1.11 C ATOM 1740 CD ARG A 103 8.617 -9.451 4.470 1.00 64.23 C ATOM 1741 NE ARG A 103 10.017 -9.772 4.825 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.435 -10.991 5.225 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.562 -12.016 5.327 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.711 -11.167 5.518 1.00 53.31 N ATOM 0 H ARG A 103 6.377 -5.804 5.368 1.00 73.01 H new ATOM 0 HA ARG A 103 5.077 -7.418 3.724 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.198 -8.110 2.792 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.379 -6.468 3.374 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.287 -7.406 4.309 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.163 -7.685 5.625 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.934 -9.988 5.129 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.406 -9.782 3.453 1.00 64.23 H new ATOM 0 HE ARG A 103 10.709 -9.025 4.764 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.578 -11.872 5.101 1.00 40.42 H new ATOM 0 HH12 ARG A 103 9.887 -12.934 5.630 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.364 -10.388 5.440 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.043 -12.082 5.822 1.00 53.31 H new ATOM 1757 N ASP A 104 5.224 -9.915 4.164 1.00 3.22 N ATOM 1758 CA ASP A 104 5.030 -11.296 4.569 1.00 24.23 C ATOM 1759 C ASP A 104 6.214 -12.136 4.086 1.00 52.11 C ATOM 1760 O ASP A 104 7.178 -11.601 3.542 1.00 14.33 O ATOM 1761 CB ASP A 104 3.755 -11.878 3.953 1.00 21.34 C ATOM 1762 CG ASP A 104 3.697 -11.831 2.425 1.00 33.24 C ATOM 1763 OD1 ASP A 104 4.625 -11.340 1.765 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.628 -12.333 1.904 1.00 12.42 O ATOM 0 H ASP A 104 4.932 -9.706 3.209 1.00 3.22 H new ATOM 0 HA ASP A 104 4.949 -11.320 5.656 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.655 -12.915 4.274 1.00 21.34 H new ATOM 0 HB3 ASP A 104 2.897 -11.337 4.351 1.00 21.34 H new ATOM 1770 N GLU A 105 6.102 -13.439 4.303 1.00 4.45 N ATOM 1771 CA GLU A 105 7.152 -14.357 3.896 1.00 23.41 C ATOM 1772 C GLU A 105 7.464 -14.183 2.409 1.00 43.50 C ATOM 1773 O GLU A 105 8.623 -14.246 2.002 1.00 71.12 O ATOM 1774 CB GLU A 105 6.766 -15.804 4.210 1.00 74.25 C ATOM 1775 CG GLU A 105 6.133 -15.914 5.598 1.00 61.33 C ATOM 1776 CD GLU A 105 6.856 -15.016 6.603 1.00 54.43 C ATOM 1777 OE1 GLU A 105 6.272 -14.038 7.094 1.00 41.24 O ATOM 1778 OE2 GLU A 105 8.069 -15.365 6.872 1.00 31.11 O ATOM 0 H GLU A 105 5.301 -13.880 4.755 1.00 4.45 H new ATOM 0 HA GLU A 105 8.052 -14.123 4.465 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.067 -16.169 3.458 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.650 -16.439 4.158 1.00 74.25 H new ATOM 0 HG2 GLU A 105 5.081 -15.633 5.545 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.170 -16.949 5.937 1.00 61.33 H new ATOM 1786 N ASP A 106 6.409 -13.967 1.637 1.00 14.21 N ATOM 1787 CA ASP A 106 6.555 -13.783 0.204 1.00 71.01 C ATOM 1788 C ASP A 106 7.500 -12.609 -0.062 1.00 12.41 C ATOM 1789 O ASP A 106 8.415 -12.716 -0.876 1.00 41.35 O ATOM 1790 CB ASP A 106 5.209 -13.464 -0.452 1.00 4.22 C ATOM 1791 CG ASP A 106 5.294 -12.627 -1.729 1.00 72.31 C ATOM 1792 OD1 ASP A 106 6.355 -12.081 -2.065 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.196 -12.545 -2.401 1.00 55.23 O ATOM 0 H ASP A 106 5.449 -13.915 1.978 1.00 14.21 H new ATOM 0 HA ASP A 106 6.950 -14.708 -0.215 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.703 -14.402 -0.683 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.586 -12.936 0.270 1.00 4.22 H new ATOM 1799 N GLY A 107 7.243 -11.515 0.640 1.00 33.44 N ATOM 1800 CA GLY A 107 8.060 -10.322 0.491 1.00 23.13 C ATOM 1801 C GLY A 107 7.290 -9.219 -0.238 1.00 31.21 C ATOM 1802 O GLY A 107 7.889 -8.369 -0.897 1.00 13.31 O ATOM 0 H GLY A 107 6.481 -11.429 1.313 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.372 -9.965 1.473 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.967 -10.565 -0.063 1.00 23.13 H new ATOM 1806 N PHE A 108 5.974 -9.266 -0.095 1.00 52.33 N ATOM 1807 CA PHE A 108 5.116 -8.281 -0.731 1.00 14.14 C ATOM 1808 C PHE A 108 4.290 -7.521 0.309 1.00 21.33 C ATOM 1809 O PHE A 108 3.701 -8.126 1.203 1.00 22.32 O ATOM 1810 CB PHE A 108 4.168 -9.046 -1.657 1.00 51.42 C ATOM 1811 CG PHE A 108 4.343 -8.710 -3.140 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.557 -7.424 -3.526 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.286 -9.700 -4.071 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.719 -7.113 -4.902 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.449 -9.389 -5.448 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.662 -8.103 -5.834 1.00 4.21 C ATOM 0 H PHE A 108 5.481 -9.971 0.452 1.00 52.33 H new ATOM 0 HA PHE A 108 5.721 -7.556 -1.276 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.323 -10.116 -1.516 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.140 -8.832 -1.365 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.604 -6.639 -2.786 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.117 -10.722 -3.764 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.887 -6.091 -5.209 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.404 -10.174 -6.188 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.786 -7.867 -6.881 1.00 4.21 H new ATOM 1826 N LEU A 109 4.273 -6.204 0.156 1.00 21.41 N ATOM 1827 CA LEU A 109 3.529 -5.355 1.071 1.00 35.21 C ATOM 1828 C LEU A 109 2.063 -5.308 0.639 1.00 20.13 C ATOM 1829 O LEU A 109 1.760 -5.391 -0.551 1.00 53.12 O ATOM 1830 CB LEU A 109 4.184 -3.975 1.173 1.00 71.00 C ATOM 1831 CG LEU A 109 4.912 -3.674 2.485 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.282 -2.192 2.578 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.088 -4.135 3.688 1.00 53.35 C ATOM 0 H LEU A 109 4.762 -5.705 -0.587 1.00 21.41 H new ATOM 0 HA LEU A 109 3.552 -5.770 2.079 1.00 35.21 H new ATOM 0 HB2 LEU A 109 4.895 -3.871 0.354 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.414 -3.217 1.025 1.00 71.00 H new ATOM 0 HG LEU A 109 5.843 -4.241 2.497 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.798 -2.004 3.519 1.00 10.31 H new ATOM 0 HD12 LEU A 109 5.936 -1.927 1.747 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.376 -1.587 2.534 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.628 -3.909 4.607 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.130 -3.615 3.693 1.00 53.35 H new ATOM 0 HD23 LEU A 109 3.918 -5.210 3.622 1.00 53.35 H new ATOM 1845 N TYR A 110 1.192 -5.177 1.629 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.236 -5.119 1.365 1.00 32.34 C ATOM 1847 C TYR A 110 -0.862 -3.880 2.008 1.00 41.52 C ATOM 1848 O TYR A 110 -1.020 -3.821 3.226 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.835 -6.371 2.009 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.230 -7.681 1.503 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.723 -8.274 0.359 1.00 65.35 C ATOM 1852 CD2 TYR A 110 0.811 -8.272 2.191 1.00 40.13 C ATOM 1853 CE1 TYR A 110 -0.154 -9.506 -0.118 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.382 -9.505 1.714 1.00 12.12 C ATOM 1855 CZ TYR A 110 0.871 -10.062 0.583 1.00 64.21 C ATOM 1856 OH TYR A 110 1.409 -11.227 0.134 1.00 75.44 O ATOM 0 H TYR A 110 1.447 -5.109 2.614 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.427 -5.068 0.293 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.698 -6.313 3.089 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.909 -6.384 1.824 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.538 -7.812 -0.179 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.197 -7.809 3.087 1.00 40.13 H new ATOM 0 HE1 TYR A 110 -0.532 -9.979 -1.012 1.00 23.30 H new ATOM 0 HE2 TYR A 110 2.197 -9.977 2.242 1.00 12.12 H new ATOM 0 HH TYR A 110 1.571 -11.826 0.892 1.00 75.44 H new ATOM 1866 N MET A 111 -1.203 -2.920 1.160 1.00 11.54 N ATOM 1867 CA MET A 111 -1.809 -1.686 1.630 1.00 54.55 C ATOM 1868 C MET A 111 -3.089 -1.373 0.854 1.00 15.42 C ATOM 1869 O MET A 111 -3.110 -1.450 -0.373 1.00 64.01 O ATOM 1870 CB MET A 111 -0.816 -0.534 1.463 1.00 60.14 C ATOM 1871 CG MET A 111 0.617 -1.002 1.726 1.00 4.13 C ATOM 1872 SD MET A 111 1.691 0.408 1.937 1.00 11.21 S ATOM 1873 CE MET A 111 3.205 -0.250 1.258 1.00 41.54 C ATOM 0 H MET A 111 -1.071 -2.972 0.150 1.00 11.54 H new ATOM 0 HA MET A 111 -2.065 -1.807 2.682 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.890 -0.129 0.454 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.071 0.273 2.150 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.646 -1.628 2.618 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.967 -1.615 0.895 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.057 0.176 1.788 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.213 -1.334 1.370 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.271 0.006 0.200 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.127 -1.028 1.603 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.408 -0.704 1.000 1.00 51.41 C ATOM 1885 C VAL A 112 -5.676 0.795 1.157 1.00 34.21 C ATOM 1886 O VAL A 112 -5.665 1.318 2.270 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.509 -1.574 1.611 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.876 -0.898 1.485 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.524 -2.965 0.975 1.00 14.04 C ATOM 0 H VAL A 112 -4.106 -0.966 2.621 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.393 -0.923 -0.068 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.292 -1.693 2.672 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.640 -1.537 1.927 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.858 0.059 2.006 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.105 -0.734 0.432 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.315 -3.563 1.427 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.705 -2.873 -0.096 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.562 -3.451 1.140 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.910 1.444 0.025 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.179 2.871 0.022 1.00 64.13 C ATOM 1901 C TYR A 113 -7.672 3.147 -0.173 1.00 45.34 C ATOM 1902 O TYR A 113 -8.384 2.337 -0.764 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.407 3.444 -1.168 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.107 3.254 -2.514 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.175 4.058 -2.857 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.672 2.277 -3.387 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.835 3.880 -4.124 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.332 2.098 -4.655 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.381 2.909 -4.961 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.003 2.740 -6.158 1.00 43.21 O ATOM 0 H TYR A 113 -5.919 1.007 -0.896 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.880 3.320 0.969 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.243 4.509 -1.003 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.425 2.973 -1.211 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.516 4.822 -2.174 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.837 1.647 -3.119 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.672 4.503 -4.403 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.002 1.337 -5.347 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.312 3.608 -6.491 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.100 4.294 0.332 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.495 4.687 0.221 1.00 1.44 C ATOM 1922 C ALA A 114 -9.663 6.112 0.751 1.00 2.12 C ATOM 1923 O ALA A 114 -8.699 6.726 1.208 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.370 3.680 0.968 1.00 12.02 C ATOM 0 H ALA A 114 -7.506 4.964 0.819 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.813 4.684 -0.822 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.416 3.975 0.885 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.236 2.689 0.534 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.082 3.657 2.019 1.00 12.02 H new ATOM 1930 N SER A 115 -10.893 6.597 0.673 1.00 54.31 N ATOM 1931 CA SER A 115 -11.199 7.938 1.140 1.00 61.52 C ATOM 1932 C SER A 115 -11.604 7.900 2.615 1.00 53.55 C ATOM 1933 O SER A 115 -12.405 8.718 3.064 1.00 63.34 O ATOM 1934 CB SER A 115 -12.311 8.572 0.301 1.00 1.23 C ATOM 1935 OG SER A 115 -12.461 9.963 0.577 1.00 60.44 O ATOM 0 H SER A 115 -11.690 6.085 0.293 1.00 54.31 H new ATOM 0 HA SER A 115 -10.304 8.550 1.032 1.00 61.52 H new ATOM 0 HB2 SER A 115 -12.090 8.434 -0.757 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.252 8.059 0.500 1.00 1.23 H new ATOM 0 HG SER A 115 -11.686 10.451 0.229 1.00 60.44 H new ATOM 1941 N GLN A 116 -11.031 6.941 3.327 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.321 6.785 4.743 1.00 53.23 C ATOM 1943 C GLN A 116 -10.108 6.206 5.474 1.00 50.42 C ATOM 1944 O GLN A 116 -9.587 5.162 5.087 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.559 5.910 4.955 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.184 4.427 4.967 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.413 3.549 4.719 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -13.413 2.656 3.887 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.457 3.851 5.486 1.00 55.11 N ATOM 0 H GLN A 116 -10.367 6.264 2.950 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.535 7.769 5.161 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.040 6.175 5.897 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -13.283 6.100 4.163 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -11.433 4.232 4.202 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.736 4.169 5.927 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.390 4.611 6.163 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.325 3.322 5.397 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.694 6.911 6.516 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.552 6.481 7.304 1.00 34.21 C ATOM 1960 C GLU A 117 -9.009 6.011 8.687 1.00 42.32 C ATOM 1961 O GLU A 117 -8.211 5.484 9.461 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.514 7.598 7.421 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.717 7.473 8.720 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.567 8.481 8.758 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.480 8.165 9.264 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.832 9.631 8.235 1.00 14.44 O ATOM 0 H GLU A 117 -10.129 7.777 6.833 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.079 5.642 6.794 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.835 7.559 6.569 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -8.012 8.567 7.388 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.376 7.636 9.572 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.322 6.461 8.812 1.00 44.23 H new ATOM 1974 N THR A 118 -10.289 6.217 8.955 1.00 32.30 N ATOM 1975 CA THR A 118 -10.861 5.822 10.230 1.00 34.24 C ATOM 1976 C THR A 118 -12.185 5.086 10.015 1.00 33.31 C ATOM 1977 O THR A 118 -13.248 5.603 10.355 1.00 43.32 O ATOM 1978 CB THR A 118 -10.995 7.074 11.097 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.784 7.960 10.308 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.666 7.812 11.270 1.00 11.22 C ATOM 0 H THR A 118 -10.948 6.653 8.310 1.00 32.30 H new ATOM 0 HA THR A 118 -10.214 5.117 10.752 1.00 34.24 H new ATOM 0 HB THR A 118 -11.386 6.797 12.076 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.645 7.539 10.106 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.818 8.693 11.894 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.942 7.151 11.746 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.290 8.119 10.294 1.00 11.22 H new ATOM 2085 N ASP B 337 8.693 -5.550 -14.962 1.00 34.41 N ATOM 2086 CA ASP B 337 9.068 -4.322 -14.283 1.00 41.12 C ATOM 2087 C ASP B 337 7.804 -3.569 -13.864 1.00 44.23 C ATOM 2088 O ASP B 337 7.096 -3.020 -14.708 1.00 22.34 O ATOM 2089 CB ASP B 337 9.879 -3.409 -15.204 1.00 74.41 C ATOM 2090 CG ASP B 337 11.016 -4.098 -15.960 1.00 74.24 C ATOM 2091 OD1 ASP B 337 11.377 -3.697 -17.076 1.00 11.21 O ATOM 2092 OD2 ASP B 337 11.547 -5.103 -15.349 1.00 24.22 O ATOM 0 HA ASP B 337 9.672 -4.588 -13.416 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.203 -2.956 -15.929 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.298 -2.597 -14.609 1.00 74.41 H new ATOM 2098 N TRP B 338 7.558 -3.568 -12.563 1.00 31.21 N ATOM 2099 CA TRP B 338 6.390 -2.892 -12.022 1.00 33.50 C ATOM 2100 C TRP B 338 6.511 -1.402 -12.353 1.00 43.13 C ATOM 2101 O TRP B 338 7.138 -1.032 -13.346 1.00 24.04 O ATOM 2102 CB TRP B 338 6.245 -3.161 -10.524 1.00 13.13 C ATOM 2103 CG TRP B 338 6.552 -4.603 -10.119 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.757 -5.660 -10.917 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.684 -5.109 -8.773 1.00 60.44 C ATOM 2106 NE1 TRP B 338 7.009 -6.805 -10.189 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.962 -6.459 -8.843 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.570 -4.448 -7.537 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.151 -7.263 -7.712 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.760 -5.266 -6.417 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.043 -6.626 -6.471 1.00 22.23 C ATOM 0 H TRP B 338 8.147 -4.024 -11.867 1.00 31.21 H new ATOM 0 HA TRP B 338 5.477 -3.277 -12.476 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.911 -2.492 -9.979 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.228 -2.917 -10.218 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.729 -5.621 -11.996 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.195 -7.733 -10.568 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.353 -3.393 -7.458 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.368 -8.318 -7.793 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.681 -4.808 -5.442 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.179 -7.188 -5.559 1.00 22.23 H new ATOM 2122 N THR B 339 5.902 -0.589 -11.504 1.00 11.15 N ATOM 2123 CA THR B 339 5.933 0.851 -11.694 1.00 63.24 C ATOM 2124 C THR B 339 6.983 1.487 -10.780 1.00 75.25 C ATOM 2125 O THR B 339 7.216 1.010 -9.670 1.00 55.55 O ATOM 2126 CB THR B 339 4.520 1.390 -11.462 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.379 2.423 -12.432 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.383 2.116 -10.121 1.00 73.05 C ATOM 0 H THR B 339 5.384 -0.900 -10.682 1.00 11.15 H new ATOM 0 HA THR B 339 6.232 1.109 -12.710 1.00 63.24 H new ATOM 0 HB THR B 339 3.806 0.567 -11.504 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.312 2.026 -13.325 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.362 2.479 -10.006 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.617 1.428 -9.309 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.073 2.959 -10.092 1.00 73.05 H new ATOM 2136 N HIS B 340 7.589 2.553 -11.280 1.00 23.10 N ATOM 2137 CA HIS B 340 8.609 3.259 -10.524 1.00 53.35 C ATOM 2138 C HIS B 340 8.002 4.511 -9.888 1.00 55.35 C ATOM 2139 O HIS B 340 7.446 5.358 -10.586 1.00 75.31 O ATOM 2140 CB HIS B 340 9.821 3.569 -11.403 1.00 52.13 C ATOM 2141 CG HIS B 340 9.517 3.596 -12.882 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.646 2.484 -13.695 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.086 4.612 -13.684 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.307 2.825 -14.929 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.962 4.145 -14.921 1.00 32.50 N ATOM 0 H HIS B 340 7.393 2.946 -12.201 1.00 23.10 H new ATOM 0 HA HIS B 340 8.973 2.623 -9.717 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.232 4.535 -11.109 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.593 2.823 -11.215 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.881 5.624 -13.367 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.304 2.173 -15.790 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.659 4.684 -15.732 1.00 32.50 H new ATOM 2153 N LEU B 341 8.129 4.589 -8.571 1.00 42.45 N ATOM 2154 CA LEU B 341 7.601 5.724 -7.834 1.00 42.21 C ATOM 2155 C LEU B 341 8.672 6.811 -7.741 1.00 60.12 C ATOM 2156 O LEU B 341 9.748 6.581 -7.191 1.00 1.40 O ATOM 2157 CB LEU B 341 7.060 5.274 -6.474 1.00 45.14 C ATOM 2158 CG LEU B 341 6.304 3.945 -6.460 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.226 3.940 -5.374 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.729 3.626 -7.840 1.00 55.44 C ATOM 0 H LEU B 341 8.590 3.884 -7.996 1.00 42.45 H new ATOM 0 HA LEU B 341 6.752 6.159 -8.361 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.896 5.201 -5.779 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.396 6.051 -6.094 1.00 45.14 H new ATOM 0 HG LEU B 341 7.011 3.152 -6.216 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.703 2.984 -5.385 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.691 4.088 -4.399 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.515 4.745 -5.563 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.197 2.676 -7.802 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.040 4.416 -8.139 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.540 3.558 -8.565 1.00 55.44 H new ATOM 2172 N SER B 342 8.341 7.972 -8.288 1.00 53.43 N ATOM 2173 CA SER B 342 9.262 9.096 -8.273 1.00 62.22 C ATOM 2174 C SER B 342 8.708 10.216 -7.391 1.00 15.10 C ATOM 2175 O SER B 342 7.624 10.736 -7.650 1.00 21.54 O ATOM 2176 CB SER B 342 9.521 9.614 -9.690 1.00 33.03 C ATOM 2177 OG SER B 342 9.241 8.626 -10.678 1.00 21.10 O ATOM 0 H SER B 342 7.448 8.158 -8.744 1.00 53.43 H new ATOM 0 HA SER B 342 10.211 8.755 -7.860 1.00 62.22 H new ATOM 0 HB2 SER B 342 8.905 10.494 -9.873 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.561 9.929 -9.777 1.00 33.03 H new ATOM 0 HG SER B 342 9.417 8.995 -11.569 1.00 21.10 H new ATOM 2183 N SER B 343 9.478 10.554 -6.367 1.00 0.25 N ATOM 2184 CA SER B 343 9.076 11.603 -5.445 1.00 53.03 C ATOM 2185 C SER B 343 9.597 12.956 -5.933 1.00 5.52 C ATOM 2186 O SER B 343 9.730 13.894 -5.148 1.00 30.55 O ATOM 2187 CB SER B 343 9.584 11.317 -4.031 1.00 24.32 C ATOM 2188 OG SER B 343 9.637 12.498 -3.233 1.00 14.53 O ATOM 0 H SER B 343 10.377 10.121 -6.156 1.00 0.25 H new ATOM 0 HA SER B 343 7.987 11.631 -5.412 1.00 53.03 H new ATOM 0 HB2 SER B 343 8.933 10.585 -3.553 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.577 10.872 -4.086 1.00 24.32 H new ATOM 0 HG SER B 343 10.380 12.430 -2.598 1.00 14.53 H new ATOM 2194 N LYS B 344 9.881 13.014 -7.226 1.00 41.31 N ATOM 2195 CA LYS B 344 10.385 14.236 -7.828 1.00 25.42 C ATOM 2196 C LYS B 344 9.272 14.893 -8.648 1.00 71.41 C ATOM 2197 O LYS B 344 9.241 16.114 -8.793 1.00 5.30 O ATOM 2198 CB LYS B 344 11.656 13.953 -8.632 1.00 31.02 C ATOM 2199 CG LYS B 344 11.603 12.564 -9.269 1.00 5.42 C ATOM 2200 CD LYS B 344 12.141 11.500 -8.310 1.00 64.43 C ATOM 2201 CE LYS B 344 13.536 11.873 -7.805 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.304 10.656 -7.459 1.00 22.20 N ATOM 0 H LYS B 344 9.771 12.234 -7.874 1.00 41.31 H new ATOM 0 HA LYS B 344 10.676 14.949 -7.056 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.775 14.709 -9.408 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.527 14.025 -7.980 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.576 12.325 -9.544 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.188 12.559 -10.189 1.00 5.42 H new ATOM 0 HD2 LYS B 344 11.462 11.390 -7.465 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.179 10.535 -8.816 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.067 12.440 -8.570 1.00 14.43 H new ATOM 0 HE3 LYS B 344 13.452 12.518 -6.931 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.248 10.927 -7.118 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.804 10.130 -6.714 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.400 10.055 -8.302 1.00 22.20 H new ATOM 2215 N GLU B 345 8.386 14.053 -9.163 1.00 53.15 N ATOM 2216 CA GLU B 345 7.274 14.536 -9.965 1.00 4.44 C ATOM 2217 C GLU B 345 6.040 14.748 -9.086 1.00 23.22 C ATOM 2218 O GLU B 345 5.000 15.193 -9.569 1.00 21.12 O ATOM 2219 CB GLU B 345 6.971 13.576 -11.116 1.00 53.02 C ATOM 2220 CG GLU B 345 8.251 12.912 -11.628 1.00 14.22 C ATOM 2221 CD GLU B 345 8.198 12.715 -13.144 1.00 0.42 C ATOM 2222 OE1 GLU B 345 7.238 12.123 -13.659 1.00 61.52 O ATOM 2223 OE2 GLU B 345 9.200 13.205 -13.793 1.00 24.43 O ATOM 0 H GLU B 345 8.415 13.041 -9.041 1.00 53.15 H new ATOM 0 HA GLU B 345 7.554 15.495 -10.401 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.269 12.812 -10.782 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.488 14.118 -11.929 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.113 13.526 -11.367 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.386 11.948 -11.137 1.00 14.22 H new ATOM 2231 N VAL B 346 6.195 14.418 -7.812 1.00 4.42 N ATOM 2232 CA VAL B 346 5.104 14.566 -6.863 1.00 33.24 C ATOM 2233 C VAL B 346 4.963 16.041 -6.482 1.00 64.22 C ATOM 2234 O VAL B 346 5.612 16.903 -7.073 1.00 4.44 O ATOM 2235 CB VAL B 346 5.336 13.655 -5.655 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.481 12.195 -6.090 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.554 14.112 -4.850 1.00 13.23 C ATOM 0 H VAL B 346 7.059 14.049 -7.415 1.00 4.42 H new ATOM 0 HA VAL B 346 4.161 14.255 -7.312 1.00 33.24 H new ATOM 0 HB VAL B 346 4.462 13.726 -5.008 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.645 11.569 -5.213 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.572 11.875 -6.600 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.329 12.100 -6.768 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.697 13.448 -3.997 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.440 14.084 -5.484 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.394 15.130 -4.494 1.00 13.23 H new ATOM 2247 N ASP B 347 4.112 16.285 -5.496 1.00 64.45 N ATOM 2248 CA ASP B 347 3.877 17.640 -5.029 1.00 13.23 C ATOM 2249 C ASP B 347 4.533 17.823 -3.659 1.00 41.10 C ATOM 2250 O ASP B 347 5.462 18.616 -3.512 1.00 60.02 O ATOM 2251 CB ASP B 347 2.380 17.920 -4.877 1.00 11.14 C ATOM 2252 CG ASP B 347 2.021 19.378 -4.588 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.263 19.888 -3.484 1.00 44.22 O ATOM 2254 OD2 ASP B 347 1.460 20.006 -5.565 1.00 54.24 O ATOM 0 H ASP B 347 3.577 15.567 -5.008 1.00 64.45 H new ATOM 0 HA ASP B 347 4.299 18.327 -5.763 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.873 17.611 -5.791 1.00 11.14 H new ATOM 0 HB3 ASP B 347 1.990 17.299 -4.071 1.00 11.14 H new