USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1029 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 155 LYS NZ :NH3+ -124:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 157 ASN : amide:sc= 0.555 K(o=1.6,f=-3.2) USER MOD Set 2.1: A 131 HIS : no HE2:sc= -2.86 K(o=-5.7,f=-8.4!) USER MOD Set 2.2: A 142 CYS SG : rot 145:sc= -3.65! USER MOD Set 2.3: A 143 CYS SG : rot 150:sc= 0.758 USER MOD Set 2.4: A 145 GLN :FLIP amide:sc= 1.03 F(o=-11,f=-5.7) USER MOD Set 2.5: A 153 CYS SG : rot 160:sc= -0.958 USER MOD Set 3.1: A 121 LYS NZ :NH3+ 171:sc= 0.545 (180deg=-0.429) USER MOD Set 3.2: A 122 ASN : amide:sc= 0.619 K(o=1.2,f=-7.1!) USER MOD Set 4.1: A 105 SER OG : rot -170:sc= 0.836 USER MOD Set 4.2: A 108 SER OG : rot 75:sc= 0.763 USER MOD Set 5.1: A 91 GLN : amide:sc= 0.892 K(o=1.6,f=-1.1!) USER MOD Set 5.2: A 100 TYR OH : rot 49:sc= 0.674 USER MOD Set 6.1: A 76 LYS NZ :NH3+ -132:sc= 1.24 (180deg=0) USER MOD Set 6.2: A 130 TYR OH : rot -84:sc= 1.86 USER MOD Single : A 15 THR OG1 : rot 33:sc= 0.313 USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.577 (180deg=-1.13) USER MOD Single : A 25 SER OG : rot 85:sc= 0.158 USER MOD Single : A 35 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.27) USER MOD Single : A 36 TYR OH : rot 30:sc= 0.127 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -49:sc= 1.51 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -147:sc= -0.255 (180deg=-0.764) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.097 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 0.244 (180deg=0.0684) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= -1.77! (180deg=-1.89!) USER MOD Single : A 71 CYS SG : rot 67:sc= 1.27 USER MOD Single : A 84 CYS SG : rot 40:sc= -4.54! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.549 F(o=-1.2,f=-0.55) USER MOD Single : A 86 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.3!) USER MOD Single : A 97 ASN : amide:sc= -0.0601 K(o=-0.06,f=-4.3!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -133:sc= 0.807 (180deg=0.0257) USER MOD Single : A 123 ASN :FLIP amide:sc= -1.44 F(o=-2.6,f=-1.4) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 125 ASN : amide:sc= -0.681 K(o=-0.68,f=-3.4!) USER MOD Single : A 127 MET CE :methyl 172:sc= -0.162 (180deg=-0.353) USER MOD Single : A 129 LYS NZ :NH3+ -168:sc=-0.00532 (180deg=-0.148) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -110:sc= 0.276 USER MOD Single : A 139 SER OG : rot -160:sc= -0.288 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= 0.157 K(o=0.16,f=-0.68) USER MOD Single : A 146 THR OG1 : rot -32:sc= 0.11 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.0341 USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -8.844 -1.610 14.964 1.00 64.51 N ATOM 230 CA THR A 15 -8.746 -1.534 13.499 1.00 63.10 C ATOM 231 C THR A 15 -9.564 -0.353 12.939 1.00 23.13 C ATOM 232 O THR A 15 -10.693 -0.090 13.374 1.00 54.13 O ATOM 233 CB THR A 15 -9.195 -2.879 12.820 1.00 12.44 C ATOM 234 OG1 THR A 15 -9.114 -2.782 11.380 1.00 0.13 O ATOM 235 CG2 THR A 15 -10.620 -3.299 13.227 1.00 1.55 C ATOM 0 HA THR A 15 -7.696 -1.366 13.259 1.00 63.10 H new ATOM 0 HB THR A 15 -8.506 -3.646 13.174 1.00 12.44 H new ATOM 0 HG1 THR A 15 -8.368 -2.197 11.133 1.00 0.13 H new ATOM 0 HG21 THR A 15 -10.880 -4.234 12.730 1.00 1.55 H new ATOM 0 HG22 THR A 15 -10.664 -3.438 14.307 1.00 1.55 H new ATOM 0 HG23 THR A 15 -11.326 -2.523 12.932 1.00 1.55 H new ATOM 243 N ILE A 16 -8.942 0.368 12.001 1.00 50.32 N ATOM 244 CA ILE A 16 -9.589 1.408 11.190 1.00 44.31 C ATOM 245 C ILE A 16 -10.381 0.742 10.049 1.00 33.23 C ATOM 246 O ILE A 16 -11.491 1.166 9.717 1.00 43.01 O ATOM 247 CB ILE A 16 -8.515 2.384 10.578 1.00 23.01 C ATOM 248 CG1 ILE A 16 -7.546 2.903 11.686 1.00 45.25 C ATOM 249 CG2 ILE A 16 -9.191 3.562 9.828 1.00 42.01 C ATOM 250 CD1 ILE A 16 -6.387 3.739 11.182 1.00 72.22 C ATOM 0 H ILE A 16 -7.954 0.244 11.779 1.00 50.32 H new ATOM 0 HA ILE A 16 -10.261 1.983 11.827 1.00 44.31 H new ATOM 0 HB ILE A 16 -7.927 1.825 9.850 1.00 23.01 H new ATOM 0 HG12 ILE A 16 -8.118 3.495 12.400 1.00 45.25 H new ATOM 0 HG13 ILE A 16 -7.147 2.046 12.230 1.00 45.25 H new ATOM 0 HG21 ILE A 16 -8.425 4.219 9.416 1.00 42.01 H new ATOM 0 HG22 ILE A 16 -9.808 3.172 9.018 1.00 42.01 H new ATOM 0 HG23 ILE A 16 -9.816 4.124 10.522 1.00 42.01 H new ATOM 0 HD11 ILE A 16 -5.771 4.053 12.025 1.00 72.22 H new ATOM 0 HD12 ILE A 16 -5.785 3.148 10.492 1.00 72.22 H new ATOM 0 HD13 ILE A 16 -6.771 4.619 10.666 1.00 72.22 H new ATOM 262 N LEU A 17 -9.793 -0.329 9.487 1.00 61.41 N ATOM 263 CA LEU A 17 -10.298 -0.990 8.271 1.00 51.34 C ATOM 264 C LEU A 17 -9.580 -2.336 8.080 1.00 13.01 C ATOM 265 O LEU A 17 -8.373 -2.415 8.281 1.00 34.10 O ATOM 266 CB LEU A 17 -10.060 -0.064 7.040 1.00 24.20 C ATOM 267 CG LEU A 17 -10.495 -0.610 5.646 1.00 25.24 C ATOM 268 CD1 LEU A 17 -11.997 -0.970 5.611 1.00 2.51 C ATOM 269 CD2 LEU A 17 -10.124 0.397 4.536 1.00 55.12 C ATOM 0 H LEU A 17 -8.951 -0.762 9.865 1.00 61.41 H new ATOM 0 HA LEU A 17 -11.368 -1.176 8.370 1.00 51.34 H new ATOM 0 HB2 LEU A 17 -10.587 0.874 7.215 1.00 24.20 H new ATOM 0 HB3 LEU A 17 -8.997 0.171 6.994 1.00 24.20 H new ATOM 0 HG LEU A 17 -9.950 -1.536 5.462 1.00 25.24 H new ATOM 0 HD11 LEU A 17 -12.258 -1.346 4.622 1.00 2.51 H new ATOM 0 HD12 LEU A 17 -12.205 -1.737 6.357 1.00 2.51 H new ATOM 0 HD13 LEU A 17 -12.589 -0.081 5.829 1.00 2.51 H new ATOM 0 HD21 LEU A 17 -10.434 0.002 3.568 1.00 55.12 H new ATOM 0 HD22 LEU A 17 -10.630 1.345 4.720 1.00 55.12 H new ATOM 0 HD23 LEU A 17 -9.046 0.556 4.535 1.00 55.12 H new ATOM 281 N GLU A 18 -10.329 -3.386 7.695 1.00 65.13 N ATOM 282 CA GLU A 18 -9.762 -4.717 7.372 1.00 71.31 C ATOM 283 C GLU A 18 -10.466 -5.293 6.131 1.00 4.20 C ATOM 284 O GLU A 18 -11.659 -5.042 5.915 1.00 62.24 O ATOM 285 CB GLU A 18 -9.863 -5.697 8.582 1.00 55.40 C ATOM 286 CG GLU A 18 -11.280 -6.187 8.971 1.00 2.31 C ATOM 287 CD GLU A 18 -12.232 -5.050 9.386 1.00 73.20 C ATOM 288 OE1 GLU A 18 -12.046 -4.491 10.486 1.00 32.14 O ATOM 289 OE2 GLU A 18 -13.145 -4.697 8.604 1.00 0.03 O ATOM 0 H GLU A 18 -11.343 -3.340 7.598 1.00 65.13 H new ATOM 0 HA GLU A 18 -8.701 -4.594 7.153 1.00 71.31 H new ATOM 0 HB2 GLU A 18 -9.250 -6.571 8.362 1.00 55.40 H new ATOM 0 HB3 GLU A 18 -9.422 -5.209 9.451 1.00 55.40 H new ATOM 0 HG2 GLU A 18 -11.714 -6.724 8.128 1.00 2.31 H new ATOM 0 HG3 GLU A 18 -11.197 -6.898 9.793 1.00 2.31 H new ATOM 296 N GLU A 19 -9.710 -6.040 5.304 1.00 61.11 N ATOM 297 CA GLU A 19 -10.230 -6.648 4.064 1.00 73.02 C ATOM 298 C GLU A 19 -9.288 -7.756 3.563 1.00 14.31 C ATOM 299 O GLU A 19 -8.098 -7.778 3.903 1.00 62.12 O ATOM 300 CB GLU A 19 -10.426 -5.554 2.967 1.00 52.22 C ATOM 301 CG GLU A 19 -11.162 -6.004 1.685 1.00 71.54 C ATOM 302 CD GLU A 19 -12.594 -6.519 1.948 1.00 75.43 C ATOM 303 OE1 GLU A 19 -13.542 -5.710 1.931 1.00 65.33 O ATOM 304 OE2 GLU A 19 -12.769 -7.739 2.178 1.00 11.44 O ATOM 0 H GLU A 19 -8.724 -6.239 5.476 1.00 61.11 H new ATOM 0 HA GLU A 19 -11.198 -7.100 4.281 1.00 73.02 H new ATOM 0 HB2 GLU A 19 -10.978 -4.723 3.406 1.00 52.22 H new ATOM 0 HB3 GLU A 19 -9.445 -5.172 2.684 1.00 52.22 H new ATOM 0 HG2 GLU A 19 -11.207 -5.167 0.988 1.00 71.54 H new ATOM 0 HG3 GLU A 19 -10.584 -6.791 1.201 1.00 71.54 H new ATOM 311 N ILE A 20 -9.846 -8.678 2.753 1.00 54.13 N ATOM 312 CA ILE A 20 -9.092 -9.733 2.076 1.00 44.44 C ATOM 313 C ILE A 20 -8.455 -9.140 0.801 1.00 33.40 C ATOM 314 O ILE A 20 -9.137 -8.941 -0.216 1.00 43.31 O ATOM 315 CB ILE A 20 -10.040 -10.943 1.707 1.00 1.44 C ATOM 316 CG1 ILE A 20 -10.709 -11.556 2.982 1.00 23.21 C ATOM 317 CG2 ILE A 20 -9.295 -12.035 0.906 1.00 10.31 C ATOM 318 CD1 ILE A 20 -9.746 -12.226 3.957 1.00 10.12 C ATOM 0 H ILE A 20 -10.846 -8.705 2.553 1.00 54.13 H new ATOM 0 HA ILE A 20 -8.312 -10.110 2.738 1.00 44.44 H new ATOM 0 HB ILE A 20 -10.828 -10.542 1.069 1.00 1.44 H new ATOM 0 HG12 ILE A 20 -11.244 -10.766 3.509 1.00 23.21 H new ATOM 0 HG13 ILE A 20 -11.452 -12.289 2.667 1.00 23.21 H new ATOM 0 HG21 ILE A 20 -9.983 -12.848 0.673 1.00 10.31 H new ATOM 0 HG22 ILE A 20 -8.910 -11.608 -0.020 1.00 10.31 H new ATOM 0 HG23 ILE A 20 -8.466 -12.420 1.500 1.00 10.31 H new ATOM 0 HD11 ILE A 20 -10.304 -12.619 4.807 1.00 10.12 H new ATOM 0 HD12 ILE A 20 -9.228 -13.042 3.454 1.00 10.12 H new ATOM 0 HD13 ILE A 20 -9.017 -11.496 4.308 1.00 10.12 H new ATOM 330 N LEU A 21 -7.167 -8.802 0.894 1.00 35.21 N ATOM 331 CA LEU A 21 -6.401 -8.189 -0.205 1.00 55.10 C ATOM 332 C LEU A 21 -5.292 -9.148 -0.661 1.00 44.41 C ATOM 333 O LEU A 21 -4.825 -9.977 0.130 1.00 12.11 O ATOM 334 CB LEU A 21 -5.784 -6.853 0.273 1.00 13.02 C ATOM 335 CG LEU A 21 -6.767 -5.800 0.879 1.00 61.31 C ATOM 336 CD1 LEU A 21 -6.004 -4.595 1.465 1.00 13.53 C ATOM 337 CD2 LEU A 21 -7.805 -5.336 -0.159 1.00 21.31 C ATOM 0 H LEU A 21 -6.617 -8.946 1.741 1.00 35.21 H new ATOM 0 HA LEU A 21 -7.067 -7.993 -1.045 1.00 55.10 H new ATOM 0 HB2 LEU A 21 -5.024 -7.078 1.021 1.00 13.02 H new ATOM 0 HB3 LEU A 21 -5.273 -6.393 -0.573 1.00 13.02 H new ATOM 0 HG LEU A 21 -7.303 -6.288 1.693 1.00 61.31 H new ATOM 0 HD11 LEU A 21 -6.715 -3.880 1.879 1.00 13.53 H new ATOM 0 HD12 LEU A 21 -5.333 -4.937 2.253 1.00 13.53 H new ATOM 0 HD13 LEU A 21 -5.423 -4.114 0.678 1.00 13.53 H new ATOM 0 HD21 LEU A 21 -8.473 -4.604 0.296 1.00 21.31 H new ATOM 0 HD22 LEU A 21 -7.293 -4.882 -1.008 1.00 21.31 H new ATOM 0 HD23 LEU A 21 -8.385 -6.193 -0.501 1.00 21.31 H new ATOM 349 N ILE A 22 -4.858 -9.019 -1.927 1.00 21.13 N ATOM 350 CA ILE A 22 -3.803 -9.881 -2.497 1.00 20.03 C ATOM 351 C ILE A 22 -2.445 -9.161 -2.459 1.00 72.31 C ATOM 352 O ILE A 22 -2.255 -8.135 -3.098 1.00 43.33 O ATOM 353 CB ILE A 22 -4.142 -10.349 -3.962 1.00 43.20 C ATOM 354 CG1 ILE A 22 -5.479 -11.160 -3.958 1.00 54.01 C ATOM 355 CG2 ILE A 22 -2.975 -11.175 -4.573 1.00 54.31 C ATOM 356 CD1 ILE A 22 -5.822 -11.860 -5.255 1.00 30.34 C ATOM 0 H ILE A 22 -5.222 -8.324 -2.579 1.00 21.13 H new ATOM 0 HA ILE A 22 -3.748 -10.778 -1.880 1.00 20.03 H new ATOM 0 HB ILE A 22 -4.271 -9.470 -4.593 1.00 43.20 H new ATOM 0 HG12 ILE A 22 -5.428 -11.906 -3.165 1.00 54.01 H new ATOM 0 HG13 ILE A 22 -6.294 -10.482 -3.705 1.00 54.01 H new ATOM 0 HG21 ILE A 22 -3.239 -11.484 -5.585 1.00 54.31 H new ATOM 0 HG22 ILE A 22 -2.073 -10.563 -4.604 1.00 54.31 H new ATOM 0 HG23 ILE A 22 -2.794 -12.058 -3.960 1.00 54.31 H new ATOM 0 HD11 ILE A 22 -6.767 -12.392 -5.143 1.00 30.34 H new ATOM 0 HD12 ILE A 22 -5.913 -11.123 -6.053 1.00 30.34 H new ATOM 0 HD13 ILE A 22 -5.034 -12.570 -5.505 1.00 30.34 H new ATOM 368 N LYS A 23 -1.520 -9.729 -1.700 1.00 31.44 N ATOM 369 CA LYS A 23 -0.156 -9.223 -1.540 1.00 24.02 C ATOM 370 C LYS A 23 0.751 -9.738 -2.676 1.00 35.21 C ATOM 371 O LYS A 23 0.678 -10.901 -3.042 1.00 14.30 O ATOM 372 CB LYS A 23 0.366 -9.709 -0.157 1.00 74.41 C ATOM 373 CG LYS A 23 1.884 -9.574 0.073 1.00 11.13 C ATOM 374 CD LYS A 23 2.318 -9.981 1.500 1.00 65.13 C ATOM 375 CE LYS A 23 3.837 -10.222 1.600 1.00 50.23 C ATOM 376 NZ LYS A 23 4.634 -9.053 1.153 1.00 70.51 N ATOM 0 H LYS A 23 -1.697 -10.577 -1.162 1.00 31.44 H new ATOM 0 HA LYS A 23 -0.147 -8.134 -1.587 1.00 24.02 H new ATOM 0 HB2 LYS A 23 -0.151 -9.150 0.622 1.00 74.41 H new ATOM 0 HB3 LYS A 23 0.091 -10.756 -0.034 1.00 74.41 H new ATOM 0 HG2 LYS A 23 2.412 -10.194 -0.652 1.00 11.13 H new ATOM 0 HG3 LYS A 23 2.183 -8.542 -0.111 1.00 11.13 H new ATOM 0 HD2 LYS A 23 2.029 -9.199 2.203 1.00 65.13 H new ATOM 0 HD3 LYS A 23 1.788 -10.887 1.795 1.00 65.13 H new ATOM 0 HE2 LYS A 23 4.096 -10.459 2.632 1.00 50.23 H new ATOM 0 HE3 LYS A 23 4.103 -11.090 0.997 1.00 50.23 H new ATOM 0 HZ1 LYS A 23 5.589 -9.366 0.884 1.00 70.51 H new ATOM 0 HZ2 LYS A 23 4.171 -8.610 0.333 1.00 70.51 H new ATOM 0 HZ3 LYS A 23 4.701 -8.362 1.927 1.00 70.51 H new ATOM 390 N ARG A 24 1.592 -8.858 -3.230 1.00 44.20 N ATOM 391 CA ARG A 24 2.746 -9.281 -4.028 1.00 44.34 C ATOM 392 C ARG A 24 3.891 -9.585 -3.054 1.00 25.14 C ATOM 393 O ARG A 24 4.212 -8.756 -2.182 1.00 0.45 O ATOM 394 CB ARG A 24 3.187 -8.185 -5.039 1.00 62.32 C ATOM 395 CG ARG A 24 4.543 -8.485 -5.736 1.00 12.24 C ATOM 396 CD ARG A 24 4.987 -7.400 -6.729 1.00 34.44 C ATOM 397 NE ARG A 24 4.174 -7.396 -7.959 1.00 1.20 N ATOM 398 CZ ARG A 24 4.574 -6.901 -9.144 1.00 2.20 C ATOM 399 NH1 ARG A 24 5.786 -6.361 -9.291 1.00 5.21 N ATOM 400 NH2 ARG A 24 3.756 -6.960 -10.180 1.00 0.23 N ATOM 0 H ARG A 24 1.494 -7.847 -3.140 1.00 44.20 H new ATOM 0 HA ARG A 24 2.478 -10.160 -4.613 1.00 44.34 H new ATOM 0 HB2 ARG A 24 2.415 -8.074 -5.800 1.00 62.32 H new ATOM 0 HB3 ARG A 24 3.260 -7.231 -4.517 1.00 62.32 H new ATOM 0 HG2 ARG A 24 5.313 -8.603 -4.974 1.00 12.24 H new ATOM 0 HG3 ARG A 24 4.467 -9.436 -6.263 1.00 12.24 H new ATOM 0 HD2 ARG A 24 4.920 -6.423 -6.250 1.00 34.44 H new ATOM 0 HD3 ARG A 24 6.034 -7.556 -6.989 1.00 34.44 H new ATOM 0 HE ARG A 24 3.238 -7.799 -7.907 1.00 1.20 H new ATOM 0 HH11 ARG A 24 6.425 -6.319 -8.497 1.00 5.21 H new ATOM 0 HH12 ARG A 24 6.073 -5.990 -10.197 1.00 5.21 H new ATOM 0 HH21 ARG A 24 2.831 -7.378 -10.077 1.00 0.23 H new ATOM 0 HH22 ARG A 24 4.049 -6.588 -11.083 1.00 0.23 H new ATOM 414 N SER A 25 4.490 -10.767 -3.192 1.00 24.31 N ATOM 415 CA SER A 25 5.647 -11.152 -2.398 1.00 42.00 C ATOM 416 C SER A 25 6.891 -10.648 -3.141 1.00 14.05 C ATOM 417 O SER A 25 7.291 -11.231 -4.160 1.00 52.44 O ATOM 418 CB SER A 25 5.666 -12.691 -2.208 1.00 61.50 C ATOM 419 OG SER A 25 4.444 -13.146 -1.634 1.00 14.42 O ATOM 0 H SER A 25 4.186 -11.479 -3.856 1.00 24.31 H new ATOM 0 HA SER A 25 5.616 -10.713 -1.401 1.00 42.00 H new ATOM 0 HB2 SER A 25 5.825 -13.179 -3.170 1.00 61.50 H new ATOM 0 HB3 SER A 25 6.501 -12.972 -1.566 1.00 61.50 H new ATOM 0 HG SER A 25 3.781 -13.282 -2.342 1.00 14.42 H new ATOM 583 N ASN A 35 5.227 -14.587 -6.083 1.00 61.41 N ATOM 584 CA ASN A 35 3.998 -15.230 -5.599 1.00 74.13 C ATOM 585 C ASN A 35 3.024 -14.150 -5.114 1.00 72.15 C ATOM 586 O ASN A 35 3.438 -13.164 -4.502 1.00 31.44 O ATOM 587 CB ASN A 35 4.301 -16.230 -4.451 1.00 23.13 C ATOM 588 CG ASN A 35 3.049 -16.958 -3.923 1.00 63.10 C ATOM 589 OD1 ASN A 35 2.122 -17.255 -4.680 1.00 74.24 O ATOM 590 ND2 ASN A 35 3.001 -17.223 -2.628 1.00 5.50 N ATOM 0 HA ASN A 35 3.551 -15.792 -6.419 1.00 74.13 H new ATOM 0 HB2 ASN A 35 5.020 -16.970 -4.804 1.00 23.13 H new ATOM 0 HB3 ASN A 35 4.774 -15.694 -3.628 1.00 23.13 H new ATOM 0 HD21 ASN A 35 2.182 -17.685 -2.232 1.00 5.50 H new ATOM 0 HD22 ASN A 35 3.783 -16.966 -2.025 1.00 5.50 H new ATOM 597 N TYR A 36 1.738 -14.331 -5.405 1.00 15.11 N ATOM 598 CA TYR A 36 0.675 -13.436 -4.942 1.00 22.14 C ATOM 599 C TYR A 36 -0.118 -14.139 -3.841 1.00 71.25 C ATOM 600 O TYR A 36 -0.774 -15.152 -4.091 1.00 12.31 O ATOM 601 CB TYR A 36 -0.210 -13.018 -6.141 1.00 2.53 C ATOM 602 CG TYR A 36 0.506 -12.044 -7.089 1.00 60.51 C ATOM 603 CD1 TYR A 36 1.362 -12.501 -8.099 1.00 25.53 C ATOM 604 CD2 TYR A 36 0.361 -10.663 -6.943 1.00 42.23 C ATOM 605 CE1 TYR A 36 2.041 -11.619 -8.920 1.00 62.32 C ATOM 606 CE2 TYR A 36 1.033 -9.788 -7.768 1.00 72.14 C ATOM 607 CZ TYR A 36 1.869 -10.266 -8.746 1.00 61.25 C ATOM 608 OH TYR A 36 2.539 -9.380 -9.552 1.00 23.23 O ATOM 0 H TYR A 36 1.400 -15.108 -5.973 1.00 15.11 H new ATOM 0 HA TYR A 36 1.092 -12.522 -4.519 1.00 22.14 H new ATOM 0 HB2 TYR A 36 -0.508 -13.907 -6.696 1.00 2.53 H new ATOM 0 HB3 TYR A 36 -1.123 -12.553 -5.770 1.00 2.53 H new ATOM 0 HD1 TYR A 36 1.495 -13.564 -8.240 1.00 25.53 H new ATOM 0 HD2 TYR A 36 -0.288 -10.275 -6.172 1.00 42.23 H new ATOM 0 HE1 TYR A 36 2.700 -11.990 -9.691 1.00 62.32 H new ATOM 0 HE2 TYR A 36 0.902 -8.723 -7.645 1.00 72.14 H new ATOM 0 HH TYR A 36 2.689 -9.786 -10.431 1.00 23.23 H new ATOM 618 N LYS A 37 -0.009 -13.614 -2.608 1.00 3.33 N ATOM 619 CA LYS A 37 -0.588 -14.241 -1.417 1.00 3.31 C ATOM 620 C LYS A 37 -1.800 -13.428 -0.916 1.00 21.53 C ATOM 621 O LYS A 37 -1.645 -12.346 -0.348 1.00 4.30 O ATOM 622 CB LYS A 37 0.499 -14.349 -0.304 1.00 24.52 C ATOM 623 CG LYS A 37 0.269 -15.510 0.688 1.00 52.02 C ATOM 624 CD LYS A 37 0.432 -16.883 0.007 1.00 40.53 C ATOM 625 CE LYS A 37 0.236 -18.061 0.964 1.00 1.54 C ATOM 626 NZ LYS A 37 0.389 -19.362 0.254 1.00 64.14 N ATOM 0 H LYS A 37 0.484 -12.742 -2.414 1.00 3.33 H new ATOM 0 HA LYS A 37 -0.935 -15.242 -1.672 1.00 3.31 H new ATOM 0 HB2 LYS A 37 1.474 -14.474 -0.774 1.00 24.52 H new ATOM 0 HB3 LYS A 37 0.531 -13.411 0.251 1.00 24.52 H new ATOM 0 HG2 LYS A 37 0.975 -15.428 1.514 1.00 52.02 H new ATOM 0 HG3 LYS A 37 -0.731 -15.432 1.114 1.00 52.02 H new ATOM 0 HD2 LYS A 37 -0.286 -16.964 -0.809 1.00 40.53 H new ATOM 0 HD3 LYS A 37 1.426 -16.945 -0.436 1.00 40.53 H new ATOM 0 HE2 LYS A 37 0.961 -17.999 1.775 1.00 1.54 H new ATOM 0 HE3 LYS A 37 -0.754 -18.005 1.417 1.00 1.54 H new ATOM 0 HZ1 LYS A 37 0.251 -20.143 0.927 1.00 64.14 H new ATOM 0 HZ2 LYS A 37 -0.320 -19.429 -0.504 1.00 64.14 H new ATOM 0 HZ3 LYS A 37 1.342 -19.423 -0.157 1.00 64.14 H new ATOM 640 N GLU A 38 -2.988 -13.993 -1.121 1.00 31.25 N ATOM 641 CA GLU A 38 -4.263 -13.389 -0.711 1.00 44.44 C ATOM 642 C GLU A 38 -4.467 -13.589 0.803 1.00 41.24 C ATOM 643 O GLU A 38 -4.724 -14.712 1.253 1.00 70.50 O ATOM 644 CB GLU A 38 -5.400 -14.049 -1.521 1.00 42.14 C ATOM 645 CG GLU A 38 -6.792 -13.459 -1.284 1.00 3.54 C ATOM 646 CD GLU A 38 -7.879 -14.205 -2.067 1.00 53.41 C ATOM 647 OE1 GLU A 38 -7.927 -14.069 -3.312 1.00 5.21 O ATOM 648 OE2 GLU A 38 -8.677 -14.944 -1.446 1.00 61.12 O ATOM 0 H GLU A 38 -3.098 -14.896 -1.583 1.00 31.25 H new ATOM 0 HA GLU A 38 -4.262 -12.317 -0.909 1.00 44.44 H new ATOM 0 HB2 GLU A 38 -5.164 -13.968 -2.582 1.00 42.14 H new ATOM 0 HB3 GLU A 38 -5.427 -15.112 -1.281 1.00 42.14 H new ATOM 0 HG2 GLU A 38 -7.024 -13.496 -0.220 1.00 3.54 H new ATOM 0 HG3 GLU A 38 -6.794 -12.408 -1.575 1.00 3.54 H new ATOM 655 N ARG A 39 -4.317 -12.509 1.599 1.00 32.35 N ATOM 656 CA ARG A 39 -4.416 -12.570 3.076 1.00 74.42 C ATOM 657 C ARG A 39 -5.379 -11.503 3.623 1.00 60.22 C ATOM 658 O ARG A 39 -5.834 -10.614 2.893 1.00 34.05 O ATOM 659 CB ARG A 39 -3.008 -12.419 3.751 1.00 32.14 C ATOM 660 CG ARG A 39 -2.004 -13.576 3.496 1.00 14.32 C ATOM 661 CD ARG A 39 -2.612 -14.977 3.730 1.00 25.23 C ATOM 662 NE ARG A 39 -3.422 -15.049 4.968 1.00 13.11 N ATOM 663 CZ ARG A 39 -4.595 -15.703 5.104 1.00 3.20 C ATOM 664 NH1 ARG A 39 -5.128 -16.370 4.078 1.00 25.31 N ATOM 665 NH2 ARG A 39 -5.240 -15.660 6.269 1.00 14.32 N ATOM 0 H ARG A 39 -4.125 -11.574 1.240 1.00 32.35 H new ATOM 0 HA ARG A 39 -4.816 -13.553 3.325 1.00 74.42 H new ATOM 0 HB2 ARG A 39 -2.557 -11.490 3.402 1.00 32.14 H new ATOM 0 HB3 ARG A 39 -3.152 -12.319 4.827 1.00 32.14 H new ATOM 0 HG2 ARG A 39 -1.640 -13.512 2.470 1.00 14.32 H new ATOM 0 HG3 ARG A 39 -1.141 -13.449 4.149 1.00 14.32 H new ATOM 0 HD2 ARG A 39 -3.235 -15.245 2.877 1.00 25.23 H new ATOM 0 HD3 ARG A 39 -1.809 -15.713 3.782 1.00 25.23 H new ATOM 0 HE ARG A 39 -3.062 -14.562 5.789 1.00 13.11 H new ATOM 0 HH11 ARG A 39 -4.648 -16.390 3.178 1.00 25.31 H new ATOM 0 HH12 ARG A 39 -6.015 -16.860 4.194 1.00 25.31 H new ATOM 0 HH21 ARG A 39 -4.847 -15.135 7.050 1.00 14.32 H new ATOM 0 HH22 ARG A 39 -6.127 -16.152 6.379 1.00 14.32 H new ATOM 679 N LEU A 40 -5.662 -11.612 4.936 1.00 43.32 N ATOM 680 CA LEU A 40 -6.520 -10.670 5.660 1.00 1.21 C ATOM 681 C LEU A 40 -5.658 -9.502 6.165 1.00 31.13 C ATOM 682 O LEU A 40 -4.990 -9.613 7.201 1.00 30.32 O ATOM 683 CB LEU A 40 -7.253 -11.373 6.844 1.00 50.11 C ATOM 684 CG LEU A 40 -8.152 -10.449 7.737 1.00 35.34 C ATOM 685 CD1 LEU A 40 -9.292 -9.777 6.925 1.00 62.32 C ATOM 686 CD2 LEU A 40 -8.704 -11.225 8.953 1.00 21.00 C ATOM 0 H LEU A 40 -5.297 -12.363 5.522 1.00 43.32 H new ATOM 0 HA LEU A 40 -7.288 -10.291 4.986 1.00 1.21 H new ATOM 0 HB2 LEU A 40 -7.875 -12.171 6.439 1.00 50.11 H new ATOM 0 HB3 LEU A 40 -6.505 -11.845 7.481 1.00 50.11 H new ATOM 0 HG LEU A 40 -7.519 -9.644 8.110 1.00 35.34 H new ATOM 0 HD11 LEU A 40 -9.887 -9.147 7.586 1.00 62.32 H new ATOM 0 HD12 LEU A 40 -8.862 -9.166 6.132 1.00 62.32 H new ATOM 0 HD13 LEU A 40 -9.928 -10.546 6.486 1.00 62.32 H new ATOM 0 HD21 LEU A 40 -9.324 -10.562 9.557 1.00 21.00 H new ATOM 0 HD22 LEU A 40 -9.303 -12.067 8.606 1.00 21.00 H new ATOM 0 HD23 LEU A 40 -7.874 -11.594 9.556 1.00 21.00 H new ATOM 698 N PHE A 41 -5.627 -8.413 5.387 1.00 11.23 N ATOM 699 CA PHE A 41 -4.945 -7.171 5.770 1.00 32.41 C ATOM 700 C PHE A 41 -5.810 -6.391 6.757 1.00 72.13 C ATOM 701 O PHE A 41 -6.955 -6.054 6.454 1.00 15.41 O ATOM 702 CB PHE A 41 -4.628 -6.315 4.519 1.00 72.02 C ATOM 703 CG PHE A 41 -3.390 -6.778 3.753 1.00 62.12 C ATOM 704 CD1 PHE A 41 -3.434 -7.871 2.886 1.00 13.44 C ATOM 705 CD2 PHE A 41 -2.170 -6.123 3.927 1.00 34.41 C ATOM 706 CE1 PHE A 41 -2.299 -8.284 2.212 1.00 75.35 C ATOM 707 CE2 PHE A 41 -1.042 -6.540 3.258 1.00 34.25 C ATOM 708 CZ PHE A 41 -1.103 -7.616 2.403 1.00 10.21 C ATOM 0 H PHE A 41 -6.075 -8.368 4.472 1.00 11.23 H new ATOM 0 HA PHE A 41 -4.000 -7.420 6.253 1.00 32.41 H new ATOM 0 HB2 PHE A 41 -5.487 -6.336 3.849 1.00 72.02 H new ATOM 0 HB3 PHE A 41 -4.488 -5.278 4.825 1.00 72.02 H new ATOM 0 HD1 PHE A 41 -4.364 -8.400 2.740 1.00 13.44 H new ATOM 0 HD2 PHE A 41 -2.110 -5.277 4.596 1.00 34.41 H new ATOM 0 HE1 PHE A 41 -2.347 -9.126 1.538 1.00 75.35 H new ATOM 0 HE2 PHE A 41 -0.106 -6.021 3.405 1.00 34.25 H new ATOM 0 HZ PHE A 41 -0.215 -7.940 1.880 1.00 10.21 H new ATOM 718 N VAL A 42 -5.254 -6.142 7.941 1.00 24.30 N ATOM 719 CA VAL A 42 -5.902 -5.368 9.000 1.00 12.14 C ATOM 720 C VAL A 42 -5.052 -4.118 9.258 1.00 40.34 C ATOM 721 O VAL A 42 -3.866 -4.220 9.581 1.00 24.13 O ATOM 722 CB VAL A 42 -6.055 -6.222 10.321 1.00 35.14 C ATOM 723 CG1 VAL A 42 -6.733 -5.414 11.450 1.00 40.02 C ATOM 724 CG2 VAL A 42 -6.820 -7.542 10.042 1.00 24.42 C ATOM 0 H VAL A 42 -4.325 -6.478 8.196 1.00 24.30 H new ATOM 0 HA VAL A 42 -6.907 -5.084 8.687 1.00 12.14 H new ATOM 0 HB VAL A 42 -5.052 -6.477 10.663 1.00 35.14 H new ATOM 0 HG11 VAL A 42 -6.820 -6.036 12.341 1.00 40.02 H new ATOM 0 HG12 VAL A 42 -6.132 -4.534 11.679 1.00 40.02 H new ATOM 0 HG13 VAL A 42 -7.726 -5.101 11.128 1.00 40.02 H new ATOM 0 HG21 VAL A 42 -6.912 -8.112 10.967 1.00 24.42 H new ATOM 0 HG22 VAL A 42 -7.813 -7.312 9.657 1.00 24.42 H new ATOM 0 HG23 VAL A 42 -6.273 -8.131 9.306 1.00 24.42 H new ATOM 734 N LEU A 43 -5.664 -2.949 9.096 1.00 24.13 N ATOM 735 CA LEU A 43 -5.030 -1.660 9.369 1.00 22.11 C ATOM 736 C LEU A 43 -5.539 -1.203 10.723 1.00 21.02 C ATOM 737 O LEU A 43 -6.725 -0.921 10.879 1.00 22.13 O ATOM 738 CB LEU A 43 -5.396 -0.603 8.287 1.00 30.40 C ATOM 739 CG LEU A 43 -4.932 0.864 8.580 1.00 22.34 C ATOM 740 CD1 LEU A 43 -3.392 0.971 8.692 1.00 23.23 C ATOM 741 CD2 LEU A 43 -5.509 1.851 7.535 1.00 62.21 C ATOM 0 H LEU A 43 -6.626 -2.867 8.767 1.00 24.13 H new ATOM 0 HA LEU A 43 -3.945 -1.767 9.358 1.00 22.11 H new ATOM 0 HB2 LEU A 43 -4.963 -0.918 7.338 1.00 30.40 H new ATOM 0 HB3 LEU A 43 -6.478 -0.602 8.159 1.00 30.40 H new ATOM 0 HG LEU A 43 -5.334 1.148 9.553 1.00 22.34 H new ATOM 0 HD11 LEU A 43 -3.113 2.005 8.896 1.00 23.23 H new ATOM 0 HD12 LEU A 43 -3.041 0.334 9.504 1.00 23.23 H new ATOM 0 HD13 LEU A 43 -2.936 0.650 7.756 1.00 23.23 H new ATOM 0 HD21 LEU A 43 -5.170 2.862 7.763 1.00 62.21 H new ATOM 0 HD22 LEU A 43 -5.165 1.569 6.540 1.00 62.21 H new ATOM 0 HD23 LEU A 43 -6.598 1.818 7.566 1.00 62.21 H new ATOM 753 N THR A 44 -4.645 -1.193 11.701 1.00 63.13 N ATOM 754 CA THR A 44 -4.945 -0.742 13.055 1.00 71.23 C ATOM 755 C THR A 44 -4.384 0.672 13.244 1.00 41.14 C ATOM 756 O THR A 44 -3.654 1.186 12.377 1.00 74.12 O ATOM 757 CB THR A 44 -4.344 -1.733 14.106 1.00 4.03 C ATOM 758 OG1 THR A 44 -2.913 -1.617 14.163 1.00 10.34 O ATOM 759 CG2 THR A 44 -4.715 -3.191 13.762 1.00 73.32 C ATOM 0 H THR A 44 -3.680 -1.501 11.577 1.00 63.13 H new ATOM 0 HA THR A 44 -6.024 -0.719 13.206 1.00 71.23 H new ATOM 0 HB THR A 44 -4.766 -1.471 15.076 1.00 4.03 H new ATOM 0 HG1 THR A 44 -2.545 -1.655 13.255 1.00 10.34 H new ATOM 0 HG21 THR A 44 -4.286 -3.861 14.507 1.00 73.32 H new ATOM 0 HG22 THR A 44 -5.800 -3.299 13.758 1.00 73.32 H new ATOM 0 HG23 THR A 44 -4.322 -3.444 12.777 1.00 73.32 H new ATOM 767 N LYS A 45 -4.703 1.283 14.387 1.00 63.43 N ATOM 768 CA LYS A 45 -4.306 2.670 14.688 1.00 65.53 C ATOM 769 C LYS A 45 -2.835 2.793 15.139 1.00 73.44 C ATOM 770 O LYS A 45 -2.397 3.885 15.513 1.00 63.20 O ATOM 771 CB LYS A 45 -5.291 3.302 15.716 1.00 52.04 C ATOM 772 CG LYS A 45 -6.758 3.332 15.221 1.00 63.54 C ATOM 773 CD LYS A 45 -7.695 4.216 16.071 1.00 31.22 C ATOM 774 CE LYS A 45 -7.741 3.812 17.549 1.00 31.15 C ATOM 775 NZ LYS A 45 -8.781 4.576 18.289 1.00 23.33 N ATOM 0 H LYS A 45 -5.241 0.837 15.130 1.00 63.43 H new ATOM 0 HA LYS A 45 -4.370 3.236 13.759 1.00 65.53 H new ATOM 0 HB2 LYS A 45 -5.241 2.740 16.649 1.00 52.04 H new ATOM 0 HB3 LYS A 45 -4.969 4.319 15.939 1.00 52.04 H new ATOM 0 HG2 LYS A 45 -6.775 3.689 14.191 1.00 63.54 H new ATOM 0 HG3 LYS A 45 -7.147 2.314 15.211 1.00 63.54 H new ATOM 0 HD2 LYS A 45 -7.370 5.254 15.996 1.00 31.22 H new ATOM 0 HD3 LYS A 45 -8.702 4.167 15.657 1.00 31.22 H new ATOM 0 HE2 LYS A 45 -7.946 2.744 17.630 1.00 31.15 H new ATOM 0 HE3 LYS A 45 -6.766 3.985 18.006 1.00 31.15 H new ATOM 0 HZ1 LYS A 45 -8.786 4.279 19.286 1.00 23.33 H new ATOM 0 HZ2 LYS A 45 -8.571 5.593 18.232 1.00 23.33 H new ATOM 0 HZ3 LYS A 45 -9.714 4.391 17.868 1.00 23.33 H new ATOM 789 N SER A 46 -2.071 1.678 15.110 1.00 33.20 N ATOM 790 CA SER A 46 -0.623 1.686 15.409 1.00 63.05 C ATOM 791 C SER A 46 0.200 1.090 14.242 1.00 73.21 C ATOM 792 O SER A 46 1.267 1.623 13.896 1.00 4.31 O ATOM 793 CB SER A 46 -0.367 0.894 16.715 1.00 51.41 C ATOM 794 OG SER A 46 -1.155 1.401 17.784 1.00 0.03 O ATOM 0 H SER A 46 -2.438 0.754 14.880 1.00 33.20 H new ATOM 0 HA SER A 46 -0.300 2.719 15.539 1.00 63.05 H new ATOM 0 HB2 SER A 46 -0.598 -0.159 16.556 1.00 51.41 H new ATOM 0 HB3 SER A 46 0.689 0.952 16.978 1.00 51.41 H new ATOM 0 HG SER A 46 -0.976 0.883 18.596 1.00 0.03 H new ATOM 800 N MET A 47 -0.312 0.005 13.601 1.00 2.14 N ATOM 801 CA MET A 47 0.428 -0.724 12.524 1.00 33.40 C ATOM 802 C MET A 47 -0.532 -1.314 11.467 1.00 61.04 C ATOM 803 O MET A 47 -1.714 -1.523 11.721 1.00 20.11 O ATOM 804 CB MET A 47 1.300 -1.890 13.111 1.00 62.34 C ATOM 805 CG MET A 47 2.430 -1.475 14.072 1.00 74.52 C ATOM 806 SD MET A 47 3.318 -2.888 14.776 1.00 34.54 S ATOM 807 CE MET A 47 1.993 -3.827 15.543 1.00 0.31 C ATOM 0 H MET A 47 -1.231 -0.386 13.808 1.00 2.14 H new ATOM 0 HA MET A 47 1.076 0.013 12.050 1.00 33.40 H new ATOM 0 HB2 MET A 47 0.640 -2.581 13.636 1.00 62.34 H new ATOM 0 HB3 MET A 47 1.741 -2.440 12.280 1.00 62.34 H new ATOM 0 HG2 MET A 47 3.136 -0.838 13.539 1.00 74.52 H new ATOM 0 HG3 MET A 47 2.010 -0.878 14.881 1.00 74.52 H new ATOM 0 HE1 MET A 47 2.369 -4.323 16.438 1.00 0.31 H new ATOM 0 HE2 MET A 47 1.181 -3.154 15.816 1.00 0.31 H new ATOM 0 HE3 MET A 47 1.624 -4.575 14.841 1.00 0.31 H new ATOM 817 N LEU A 48 0.016 -1.577 10.276 1.00 64.11 N ATOM 818 CA LEU A 48 -0.645 -2.344 9.210 1.00 30.33 C ATOM 819 C LEU A 48 -0.117 -3.787 9.258 1.00 0.24 C ATOM 820 O LEU A 48 1.041 -4.039 8.915 1.00 24.22 O ATOM 821 CB LEU A 48 -0.354 -1.691 7.823 1.00 22.53 C ATOM 822 CG LEU A 48 -0.858 -2.474 6.556 1.00 61.14 C ATOM 823 CD1 LEU A 48 -2.397 -2.636 6.551 1.00 33.12 C ATOM 824 CD2 LEU A 48 -0.348 -1.805 5.251 1.00 22.13 C ATOM 0 H LEU A 48 0.950 -1.257 10.019 1.00 64.11 H new ATOM 0 HA LEU A 48 -1.725 -2.346 9.356 1.00 30.33 H new ATOM 0 HB2 LEU A 48 -0.805 -0.699 7.812 1.00 22.53 H new ATOM 0 HB3 LEU A 48 0.723 -1.552 7.731 1.00 22.53 H new ATOM 0 HG LEU A 48 -0.437 -3.478 6.602 1.00 61.14 H new ATOM 0 HD11 LEU A 48 -2.702 -3.182 5.659 1.00 33.12 H new ATOM 0 HD12 LEU A 48 -2.708 -3.188 7.438 1.00 33.12 H new ATOM 0 HD13 LEU A 48 -2.866 -1.652 6.553 1.00 33.12 H new ATOM 0 HD21 LEU A 48 -0.710 -2.366 4.389 1.00 22.13 H new ATOM 0 HD22 LEU A 48 -0.717 -0.781 5.199 1.00 22.13 H new ATOM 0 HD23 LEU A 48 0.742 -1.798 5.247 1.00 22.13 H new ATOM 836 N THR A 49 -0.952 -4.724 9.716 1.00 55.15 N ATOM 837 CA THR A 49 -0.568 -6.135 9.884 1.00 54.01 C ATOM 838 C THR A 49 -1.555 -7.057 9.146 1.00 2.31 C ATOM 839 O THR A 49 -2.767 -6.935 9.322 1.00 33.52 O ATOM 840 CB THR A 49 -0.543 -6.512 11.406 1.00 44.23 C ATOM 841 OG1 THR A 49 0.301 -5.589 12.126 1.00 61.15 O ATOM 842 CG2 THR A 49 -0.045 -7.952 11.649 1.00 44.33 C ATOM 0 H THR A 49 -1.917 -4.528 9.982 1.00 55.15 H new ATOM 0 HA THR A 49 0.427 -6.269 9.461 1.00 54.01 H new ATOM 0 HB THR A 49 -1.569 -6.451 11.768 1.00 44.23 H new ATOM 0 HG1 THR A 49 0.311 -5.828 13.076 1.00 61.15 H new ATOM 0 HG21 THR A 49 -0.047 -8.162 12.719 1.00 44.33 H new ATOM 0 HG22 THR A 49 -0.704 -8.656 11.140 1.00 44.33 H new ATOM 0 HG23 THR A 49 0.968 -8.057 11.261 1.00 44.33 H new ATOM 850 N TYR A 50 -1.024 -7.984 8.337 1.00 41.33 N ATOM 851 CA TYR A 50 -1.826 -9.020 7.672 1.00 43.43 C ATOM 852 C TYR A 50 -1.640 -10.344 8.421 1.00 60.23 C ATOM 853 O TYR A 50 -0.513 -10.704 8.799 1.00 55.41 O ATOM 854 CB TYR A 50 -1.452 -9.156 6.167 1.00 54.33 C ATOM 855 CG TYR A 50 0.038 -9.393 5.868 1.00 40.34 C ATOM 856 CD1 TYR A 50 0.947 -8.326 5.827 1.00 50.22 C ATOM 857 CD2 TYR A 50 0.541 -10.678 5.630 1.00 65.53 C ATOM 858 CE1 TYR A 50 2.283 -8.531 5.555 1.00 63.50 C ATOM 859 CE2 TYR A 50 1.879 -10.883 5.358 1.00 63.44 C ATOM 860 CZ TYR A 50 2.747 -9.807 5.327 1.00 72.35 C ATOM 861 OH TYR A 50 4.087 -10.008 5.061 1.00 4.13 O ATOM 0 H TYR A 50 -0.028 -8.037 8.125 1.00 41.33 H new ATOM 0 HA TYR A 50 -2.878 -8.735 7.701 1.00 43.43 H new ATOM 0 HB2 TYR A 50 -2.024 -9.981 5.743 1.00 54.33 H new ATOM 0 HB3 TYR A 50 -1.768 -8.250 5.650 1.00 54.33 H new ATOM 0 HD1 TYR A 50 0.593 -7.323 6.012 1.00 50.22 H new ATOM 0 HD2 TYR A 50 -0.130 -11.524 5.660 1.00 65.53 H new ATOM 0 HE1 TYR A 50 2.964 -7.693 5.521 1.00 63.50 H new ATOM 0 HE2 TYR A 50 2.247 -11.881 5.170 1.00 63.44 H new ATOM 0 HH TYR A 50 4.254 -10.964 4.924 1.00 4.13 H new ATOM 871 N TYR A 51 -2.762 -11.035 8.670 1.00 21.43 N ATOM 872 CA TYR A 51 -2.772 -12.294 9.428 1.00 4.04 C ATOM 873 C TYR A 51 -2.906 -13.504 8.505 1.00 12.53 C ATOM 874 O TYR A 51 -3.598 -13.473 7.475 1.00 12.15 O ATOM 875 CB TYR A 51 -3.933 -12.267 10.456 1.00 71.11 C ATOM 876 CG TYR A 51 -3.778 -11.156 11.500 1.00 52.00 C ATOM 877 CD1 TYR A 51 -2.930 -11.321 12.593 1.00 3.11 C ATOM 878 CD2 TYR A 51 -4.453 -9.938 11.381 1.00 63.45 C ATOM 879 CE1 TYR A 51 -2.767 -10.320 13.525 1.00 73.33 C ATOM 880 CE2 TYR A 51 -4.286 -8.928 12.317 1.00 72.34 C ATOM 881 CZ TYR A 51 -3.447 -9.125 13.387 1.00 72.11 C ATOM 882 OH TYR A 51 -3.272 -8.125 14.327 1.00 61.00 O ATOM 0 H TYR A 51 -3.685 -10.738 8.353 1.00 21.43 H new ATOM 0 HA TYR A 51 -1.821 -12.388 9.952 1.00 4.04 H new ATOM 0 HB2 TYR A 51 -4.877 -12.133 9.927 1.00 71.11 H new ATOM 0 HB3 TYR A 51 -3.985 -13.231 10.963 1.00 71.11 H new ATOM 0 HD1 TYR A 51 -2.391 -12.250 12.712 1.00 3.11 H new ATOM 0 HD2 TYR A 51 -5.117 -9.780 10.544 1.00 63.45 H new ATOM 0 HE1 TYR A 51 -2.106 -10.469 14.366 1.00 73.33 H new ATOM 0 HE2 TYR A 51 -4.813 -7.992 12.205 1.00 72.34 H new ATOM 0 HH TYR A 51 -3.819 -7.349 14.085 1.00 61.00 H new ATOM 1081 N PHE A 63 4.735 -6.542 9.326 1.00 10.32 N ATOM 1082 CA PHE A 63 3.903 -5.449 9.835 1.00 3.24 C ATOM 1083 C PHE A 63 4.613 -4.135 9.509 1.00 63.13 C ATOM 1084 O PHE A 63 5.852 -4.069 9.541 1.00 23.21 O ATOM 1085 CB PHE A 63 3.609 -5.592 11.361 1.00 10.12 C ATOM 1086 CG PHE A 63 4.839 -5.685 12.268 1.00 55.01 C ATOM 1087 CD1 PHE A 63 5.481 -6.907 12.490 1.00 75.11 C ATOM 1088 CD2 PHE A 63 5.342 -4.555 12.914 1.00 64.15 C ATOM 1089 CE1 PHE A 63 6.581 -6.992 13.323 1.00 34.14 C ATOM 1090 CE2 PHE A 63 6.442 -4.641 13.744 1.00 34.14 C ATOM 1091 CZ PHE A 63 7.060 -5.857 13.950 1.00 10.31 C ATOM 0 HA PHE A 63 2.926 -5.474 9.352 1.00 3.24 H new ATOM 0 HB2 PHE A 63 3.010 -4.738 11.678 1.00 10.12 H new ATOM 0 HB3 PHE A 63 3.000 -6.483 11.513 1.00 10.12 H new ATOM 0 HD1 PHE A 63 5.112 -7.798 12.003 1.00 75.11 H new ATOM 0 HD2 PHE A 63 4.864 -3.599 12.762 1.00 64.15 H new ATOM 0 HE1 PHE A 63 7.065 -7.944 13.484 1.00 34.14 H new ATOM 0 HE2 PHE A 63 6.819 -3.755 14.233 1.00 34.14 H new ATOM 0 HZ PHE A 63 7.919 -5.922 14.602 1.00 10.31 H new ATOM 1101 N ILE A 64 3.837 -3.103 9.183 1.00 12.45 N ATOM 1102 CA ILE A 64 4.365 -1.812 8.737 1.00 61.42 C ATOM 1103 C ILE A 64 3.858 -0.731 9.693 1.00 53.02 C ATOM 1104 O ILE A 64 2.655 -0.510 9.796 1.00 63.41 O ATOM 1105 CB ILE A 64 3.940 -1.492 7.255 1.00 63.05 C ATOM 1106 CG1 ILE A 64 4.361 -2.657 6.293 1.00 24.13 C ATOM 1107 CG2 ILE A 64 4.558 -0.152 6.792 1.00 0.01 C ATOM 1108 CD1 ILE A 64 3.934 -2.471 4.853 1.00 1.43 C ATOM 0 H ILE A 64 2.818 -3.138 9.221 1.00 12.45 H new ATOM 0 HA ILE A 64 5.454 -1.844 8.750 1.00 61.42 H new ATOM 0 HB ILE A 64 2.854 -1.400 7.222 1.00 63.05 H new ATOM 0 HG12 ILE A 64 5.445 -2.764 6.326 1.00 24.13 H new ATOM 0 HG13 ILE A 64 3.938 -3.590 6.666 1.00 24.13 H new ATOM 0 HG21 ILE A 64 4.254 0.054 5.766 1.00 0.01 H new ATOM 0 HG22 ILE A 64 4.211 0.652 7.441 1.00 0.01 H new ATOM 0 HG23 ILE A 64 5.645 -0.216 6.842 1.00 0.01 H new ATOM 0 HD11 ILE A 64 4.268 -3.324 4.262 1.00 1.43 H new ATOM 0 HD12 ILE A 64 2.848 -2.397 4.802 1.00 1.43 H new ATOM 0 HD13 ILE A 64 4.379 -1.558 4.457 1.00 1.43 H new ATOM 1120 N ASP A 65 4.785 -0.076 10.391 1.00 74.13 N ATOM 1121 CA ASP A 65 4.461 0.961 11.377 1.00 3.35 C ATOM 1122 C ASP A 65 3.896 2.187 10.624 1.00 44.44 C ATOM 1123 O ASP A 65 4.455 2.570 9.594 1.00 3.43 O ATOM 1124 CB ASP A 65 5.743 1.327 12.164 1.00 64.21 C ATOM 1125 CG ASP A 65 5.491 2.248 13.368 1.00 35.03 C ATOM 1126 OD1 ASP A 65 5.399 3.476 13.182 1.00 53.15 O ATOM 1127 OD2 ASP A 65 5.414 1.746 14.511 1.00 70.21 O ATOM 0 H ASP A 65 5.785 -0.248 10.290 1.00 74.13 H new ATOM 0 HA ASP A 65 3.714 0.608 12.088 1.00 3.35 H new ATOM 0 HB2 ASP A 65 6.218 0.410 12.513 1.00 64.21 H new ATOM 0 HB3 ASP A 65 6.447 1.813 11.488 1.00 64.21 H new ATOM 1132 N VAL A 66 2.799 2.784 11.134 1.00 22.45 N ATOM 1133 CA VAL A 66 2.084 3.893 10.451 1.00 31.11 C ATOM 1134 C VAL A 66 2.958 5.171 10.383 1.00 25.13 C ATOM 1135 O VAL A 66 2.926 5.903 9.383 1.00 10.12 O ATOM 1136 CB VAL A 66 0.682 4.183 11.126 1.00 35.10 C ATOM 1137 CG1 VAL A 66 -0.060 5.356 10.442 1.00 23.52 C ATOM 1138 CG2 VAL A 66 -0.196 2.903 11.125 1.00 42.41 C ATOM 0 H VAL A 66 2.382 2.516 12.026 1.00 22.45 H new ATOM 0 HA VAL A 66 1.890 3.575 9.427 1.00 31.11 H new ATOM 0 HB VAL A 66 0.871 4.480 12.158 1.00 35.10 H new ATOM 0 HG11 VAL A 66 -1.017 5.520 10.938 1.00 23.52 H new ATOM 0 HG12 VAL A 66 0.545 6.260 10.513 1.00 23.52 H new ATOM 0 HG13 VAL A 66 -0.231 5.116 9.393 1.00 23.52 H new ATOM 0 HG21 VAL A 66 -1.156 3.120 11.593 1.00 42.41 H new ATOM 0 HG22 VAL A 66 -0.358 2.574 10.099 1.00 42.41 H new ATOM 0 HG23 VAL A 66 0.309 2.115 11.683 1.00 42.41 H new ATOM 1148 N SER A 67 3.776 5.399 11.430 1.00 41.41 N ATOM 1149 CA SER A 67 4.754 6.516 11.466 1.00 61.33 C ATOM 1150 C SER A 67 5.982 6.233 10.572 1.00 72.22 C ATOM 1151 O SER A 67 6.836 7.106 10.395 1.00 62.11 O ATOM 1152 CB SER A 67 5.217 6.788 12.910 1.00 4.24 C ATOM 1153 OG SER A 67 4.127 7.077 13.762 1.00 11.41 O ATOM 0 H SER A 67 3.781 4.821 12.271 1.00 41.41 H new ATOM 0 HA SER A 67 4.246 7.398 11.077 1.00 61.33 H new ATOM 0 HB2 SER A 67 5.755 5.919 13.289 1.00 4.24 H new ATOM 0 HB3 SER A 67 5.916 7.624 12.917 1.00 4.24 H new ATOM 0 HG SER A 67 4.456 7.243 14.670 1.00 11.41 H new ATOM 1159 N LYS A 68 6.086 4.993 10.063 1.00 71.42 N ATOM 1160 CA LYS A 68 7.130 4.585 9.101 1.00 10.20 C ATOM 1161 C LYS A 68 6.584 4.480 7.666 1.00 23.23 C ATOM 1162 O LYS A 68 7.370 4.314 6.725 1.00 41.42 O ATOM 1163 CB LYS A 68 7.756 3.240 9.532 1.00 71.42 C ATOM 1164 CG LYS A 68 8.532 3.289 10.867 1.00 53.40 C ATOM 1165 CD LYS A 68 9.686 4.318 10.856 1.00 64.41 C ATOM 1166 CE LYS A 68 10.723 4.053 11.956 1.00 55.23 C ATOM 1167 NZ LYS A 68 11.448 2.774 11.718 1.00 3.03 N ATOM 0 H LYS A 68 5.444 4.239 10.308 1.00 71.42 H new ATOM 0 HA LYS A 68 7.897 5.359 9.104 1.00 10.20 H new ATOM 0 HB2 LYS A 68 6.964 2.496 9.615 1.00 71.42 H new ATOM 0 HB3 LYS A 68 8.431 2.901 8.747 1.00 71.42 H new ATOM 0 HG2 LYS A 68 7.841 3.534 11.674 1.00 53.40 H new ATOM 0 HG3 LYS A 68 8.936 2.300 11.083 1.00 53.40 H new ATOM 0 HD2 LYS A 68 10.179 4.295 9.884 1.00 64.41 H new ATOM 0 HD3 LYS A 68 9.276 5.320 10.982 1.00 64.41 H new ATOM 0 HE2 LYS A 68 11.436 4.877 11.993 1.00 55.23 H new ATOM 0 HE3 LYS A 68 10.227 4.017 12.926 1.00 55.23 H new ATOM 0 HZ1 LYS A 68 12.252 2.703 12.374 1.00 3.03 H new ATOM 0 HZ2 LYS A 68 10.802 1.974 11.874 1.00 3.03 H new ATOM 0 HZ3 LYS A 68 11.798 2.750 10.739 1.00 3.03 H new ATOM 1181 N ILE A 69 5.246 4.566 7.495 1.00 75.50 N ATOM 1182 CA ILE A 69 4.632 4.633 6.160 1.00 72.33 C ATOM 1183 C ILE A 69 4.870 6.047 5.585 1.00 73.55 C ATOM 1184 O ILE A 69 4.200 7.011 5.976 1.00 73.13 O ATOM 1185 CB ILE A 69 3.095 4.316 6.169 1.00 75.43 C ATOM 1186 CG1 ILE A 69 2.793 2.932 6.810 1.00 60.02 C ATOM 1187 CG2 ILE A 69 2.534 4.383 4.734 1.00 31.13 C ATOM 1188 CD1 ILE A 69 1.314 2.565 6.903 1.00 73.45 C ATOM 0 H ILE A 69 4.577 4.590 8.265 1.00 75.50 H new ATOM 0 HA ILE A 69 5.099 3.868 5.540 1.00 72.33 H new ATOM 0 HB ILE A 69 2.602 5.070 6.782 1.00 75.43 H new ATOM 0 HG12 ILE A 69 3.306 2.163 6.232 1.00 60.02 H new ATOM 0 HG13 ILE A 69 3.219 2.914 7.813 1.00 60.02 H new ATOM 0 HG21 ILE A 69 1.467 4.162 4.750 1.00 31.13 H new ATOM 0 HG22 ILE A 69 2.691 5.382 4.328 1.00 31.13 H new ATOM 0 HG23 ILE A 69 3.047 3.652 4.108 1.00 31.13 H new ATOM 0 HD11 ILE A 69 1.211 1.583 7.364 1.00 73.45 H new ATOM 0 HD12 ILE A 69 0.793 3.306 7.508 1.00 73.45 H new ATOM 0 HD13 ILE A 69 0.881 2.544 5.903 1.00 73.45 H new ATOM 1200 N LYS A 70 5.865 6.149 4.700 1.00 62.40 N ATOM 1201 CA LYS A 70 6.337 7.428 4.136 1.00 63.23 C ATOM 1202 C LYS A 70 5.487 7.876 2.932 1.00 54.32 C ATOM 1203 O LYS A 70 5.564 9.039 2.518 1.00 64.22 O ATOM 1204 CB LYS A 70 7.828 7.278 3.734 1.00 33.11 C ATOM 1205 CG LYS A 70 8.736 6.829 4.902 1.00 33.12 C ATOM 1206 CD LYS A 70 10.237 6.704 4.544 1.00 5.40 C ATOM 1207 CE LYS A 70 10.569 5.600 3.516 1.00 41.02 C ATOM 1208 NZ LYS A 70 10.429 6.063 2.106 1.00 44.45 N ATOM 0 H LYS A 70 6.375 5.339 4.347 1.00 62.40 H new ATOM 0 HA LYS A 70 6.234 8.204 4.895 1.00 63.23 H new ATOM 0 HB2 LYS A 70 7.907 6.554 2.923 1.00 33.11 H new ATOM 0 HB3 LYS A 70 8.190 8.231 3.347 1.00 33.11 H new ATOM 0 HG2 LYS A 70 8.630 7.541 5.721 1.00 33.12 H new ATOM 0 HG3 LYS A 70 8.383 5.865 5.269 1.00 33.12 H new ATOM 0 HD2 LYS A 70 10.584 7.661 4.153 1.00 5.40 H new ATOM 0 HD3 LYS A 70 10.799 6.511 5.458 1.00 5.40 H new ATOM 0 HE2 LYS A 70 11.589 5.252 3.680 1.00 41.02 H new ATOM 0 HE3 LYS A 70 9.911 4.747 3.681 1.00 41.02 H new ATOM 0 HZ1 LYS A 70 10.647 5.278 1.460 1.00 44.45 H new ATOM 0 HZ2 LYS A 70 9.454 6.386 1.942 1.00 44.45 H new ATOM 0 HZ3 LYS A 70 11.088 6.848 1.931 1.00 44.45 H new ATOM 1222 N CYS A 71 4.670 6.946 2.399 1.00 12.43 N ATOM 1223 CA CYS A 71 3.873 7.167 1.180 1.00 43.41 C ATOM 1224 C CYS A 71 2.893 6.010 0.958 1.00 72.34 C ATOM 1225 O CYS A 71 3.272 4.838 1.086 1.00 44.11 O ATOM 1226 CB CYS A 71 4.794 7.313 -0.061 1.00 71.25 C ATOM 1227 SG CYS A 71 3.928 7.445 -1.643 1.00 70.40 S ATOM 0 H CYS A 71 4.545 6.018 2.804 1.00 12.43 H new ATOM 0 HA CYS A 71 3.309 8.091 1.313 1.00 43.41 H new ATOM 0 HB2 CYS A 71 5.417 8.197 0.070 1.00 71.25 H new ATOM 0 HB3 CYS A 71 5.464 6.454 -0.101 1.00 71.25 H new ATOM 0 HG CYS A 71 3.265 8.563 -1.683 1.00 70.40 H new ATOM 1233 N VAL A 72 1.625 6.353 0.659 1.00 13.32 N ATOM 1234 CA VAL A 72 0.623 5.413 0.121 1.00 53.32 C ATOM 1235 C VAL A 72 -0.044 6.061 -1.089 1.00 74.34 C ATOM 1236 O VAL A 72 -0.719 7.092 -0.966 1.00 11.14 O ATOM 1237 CB VAL A 72 -0.483 4.970 1.155 1.00 44.24 C ATOM 1238 CG1 VAL A 72 -1.644 4.197 0.459 1.00 51.12 C ATOM 1239 CG2 VAL A 72 0.133 4.107 2.269 1.00 23.21 C ATOM 0 H VAL A 72 1.265 7.299 0.785 1.00 13.32 H new ATOM 0 HA VAL A 72 1.159 4.502 -0.144 1.00 53.32 H new ATOM 0 HB VAL A 72 -0.899 5.876 1.596 1.00 44.24 H new ATOM 0 HG11 VAL A 72 -2.386 3.908 1.203 1.00 51.12 H new ATOM 0 HG12 VAL A 72 -2.110 4.838 -0.289 1.00 51.12 H new ATOM 0 HG13 VAL A 72 -1.248 3.304 -0.024 1.00 51.12 H new ATOM 0 HG21 VAL A 72 -0.645 3.811 2.972 1.00 23.21 H new ATOM 0 HG22 VAL A 72 0.585 3.216 1.832 1.00 23.21 H new ATOM 0 HG23 VAL A 72 0.897 4.681 2.793 1.00 23.21 H new ATOM 1249 N GLU A 73 0.148 5.439 -2.247 1.00 14.13 N ATOM 1250 CA GLU A 73 -0.444 5.875 -3.506 1.00 22.33 C ATOM 1251 C GLU A 73 -0.645 4.644 -4.388 1.00 55.34 C ATOM 1252 O GLU A 73 -0.032 3.599 -4.147 1.00 52.53 O ATOM 1253 CB GLU A 73 0.482 6.935 -4.198 1.00 11.43 C ATOM 1254 CG GLU A 73 -0.247 8.192 -4.706 1.00 35.01 C ATOM 1255 CD GLU A 73 -1.287 7.939 -5.818 1.00 24.14 C ATOM 1256 OE1 GLU A 73 -2.465 7.677 -5.491 1.00 21.13 O ATOM 1257 OE2 GLU A 73 -0.943 8.021 -7.013 1.00 64.45 O ATOM 0 H GLU A 73 0.728 4.605 -2.339 1.00 14.13 H new ATOM 0 HA GLU A 73 -1.408 6.353 -3.333 1.00 22.33 H new ATOM 0 HB2 GLU A 73 1.254 7.240 -3.491 1.00 11.43 H new ATOM 0 HB3 GLU A 73 0.989 6.461 -5.038 1.00 11.43 H new ATOM 0 HG2 GLU A 73 -0.747 8.669 -3.863 1.00 35.01 H new ATOM 0 HG3 GLU A 73 0.495 8.899 -5.077 1.00 35.01 H new ATOM 1264 N ILE A 74 -1.500 4.765 -5.400 1.00 10.44 N ATOM 1265 CA ILE A 74 -1.688 3.707 -6.391 1.00 22.31 C ATOM 1266 C ILE A 74 -0.469 3.602 -7.309 1.00 20.41 C ATOM 1267 O ILE A 74 0.359 4.524 -7.391 1.00 55.35 O ATOM 1268 CB ILE A 74 -3.036 3.893 -7.200 1.00 2.24 C ATOM 1269 CG1 ILE A 74 -3.171 5.303 -7.892 1.00 55.31 C ATOM 1270 CG2 ILE A 74 -4.228 3.654 -6.244 1.00 4.25 C ATOM 1271 CD1 ILE A 74 -2.415 5.501 -9.203 1.00 3.43 C ATOM 0 H ILE A 74 -2.078 5.591 -5.557 1.00 10.44 H new ATOM 0 HA ILE A 74 -1.779 2.760 -5.860 1.00 22.31 H new ATOM 0 HB ILE A 74 -3.030 3.163 -8.009 1.00 2.24 H new ATOM 0 HG12 ILE A 74 -4.229 5.490 -8.078 1.00 55.31 H new ATOM 0 HG13 ILE A 74 -2.832 6.062 -7.186 1.00 55.31 H new ATOM 0 HG21 ILE A 74 -5.163 3.779 -6.790 1.00 4.25 H new ATOM 0 HG22 ILE A 74 -4.175 2.642 -5.842 1.00 4.25 H new ATOM 0 HG23 ILE A 74 -4.187 4.372 -5.425 1.00 4.25 H new ATOM 0 HD11 ILE A 74 -2.590 6.510 -9.575 1.00 3.43 H new ATOM 0 HD12 ILE A 74 -1.348 5.357 -9.033 1.00 3.43 H new ATOM 0 HD13 ILE A 74 -2.766 4.777 -9.938 1.00 3.43 H new ATOM 1283 N VAL A 75 -0.375 2.470 -7.989 1.00 52.33 N ATOM 1284 CA VAL A 75 0.679 2.198 -8.958 1.00 30.31 C ATOM 1285 C VAL A 75 0.100 2.528 -10.335 1.00 61.11 C ATOM 1286 O VAL A 75 -0.853 1.860 -10.766 1.00 12.24 O ATOM 1287 CB VAL A 75 1.129 0.686 -8.890 1.00 22.02 C ATOM 1288 CG1 VAL A 75 2.335 0.396 -9.815 1.00 34.43 C ATOM 1289 CG2 VAL A 75 1.426 0.274 -7.429 1.00 32.15 C ATOM 0 H VAL A 75 -1.038 1.702 -7.883 1.00 52.33 H new ATOM 0 HA VAL A 75 1.564 2.800 -8.750 1.00 30.31 H new ATOM 0 HB VAL A 75 0.301 0.079 -9.256 1.00 22.02 H new ATOM 0 HG11 VAL A 75 2.610 -0.656 -9.736 1.00 34.43 H new ATOM 0 HG12 VAL A 75 2.066 0.624 -10.846 1.00 34.43 H new ATOM 0 HG13 VAL A 75 3.180 1.015 -9.516 1.00 34.43 H new ATOM 0 HG21 VAL A 75 1.735 -0.771 -7.401 1.00 32.15 H new ATOM 0 HG22 VAL A 75 2.225 0.899 -7.030 1.00 32.15 H new ATOM 0 HG23 VAL A 75 0.528 0.403 -6.825 1.00 32.15 H new ATOM 1299 N LYS A 76 0.613 3.593 -10.991 1.00 62.02 N ATOM 1300 CA LYS A 76 0.180 3.946 -12.350 1.00 62.54 C ATOM 1301 C LYS A 76 0.655 2.828 -13.282 1.00 13.22 C ATOM 1302 O LYS A 76 1.813 2.796 -13.674 1.00 62.13 O ATOM 1303 CB LYS A 76 0.760 5.319 -12.808 1.00 10.31 C ATOM 1304 CG LYS A 76 0.529 6.492 -11.841 1.00 11.51 C ATOM 1305 CD LYS A 76 1.080 7.832 -12.424 1.00 54.23 C ATOM 1306 CE LYS A 76 1.587 8.798 -11.350 1.00 42.23 C ATOM 1307 NZ LYS A 76 0.533 9.183 -10.382 1.00 73.42 N ATOM 0 H LYS A 76 1.321 4.215 -10.600 1.00 62.02 H new ATOM 0 HA LYS A 76 -0.905 4.046 -12.375 1.00 62.54 H new ATOM 0 HB2 LYS A 76 1.833 5.206 -12.965 1.00 10.31 H new ATOM 0 HB3 LYS A 76 0.322 5.575 -13.773 1.00 10.31 H new ATOM 0 HG2 LYS A 76 -0.537 6.593 -11.639 1.00 11.51 H new ATOM 0 HG3 LYS A 76 1.016 6.281 -10.889 1.00 11.51 H new ATOM 0 HD2 LYS A 76 1.892 7.612 -13.117 1.00 54.23 H new ATOM 0 HD3 LYS A 76 0.293 8.320 -13.000 1.00 54.23 H new ATOM 0 HE2 LYS A 76 2.416 8.336 -10.814 1.00 42.23 H new ATOM 0 HE3 LYS A 76 1.979 9.695 -11.830 1.00 42.23 H new ATOM 0 HZ1 LYS A 76 0.536 10.216 -10.258 1.00 73.42 H new ATOM 0 HZ2 LYS A 76 -0.395 8.879 -10.740 1.00 73.42 H new ATOM 0 HZ3 LYS A 76 0.718 8.724 -9.467 1.00 73.42 H new ATOM 1382 N ILE A 82 -3.426 -5.795 -15.085 1.00 44.02 N ATOM 1383 CA ILE A 82 -3.004 -5.956 -13.687 1.00 23.30 C ATOM 1384 C ILE A 82 -2.570 -7.428 -13.479 1.00 23.44 C ATOM 1385 O ILE A 82 -3.333 -8.331 -13.828 1.00 75.20 O ATOM 1386 CB ILE A 82 -4.177 -5.577 -12.701 1.00 42.53 C ATOM 1387 CG1 ILE A 82 -4.701 -4.130 -12.989 1.00 22.31 C ATOM 1388 CG2 ILE A 82 -3.751 -5.713 -11.221 1.00 60.43 C ATOM 1389 CD1 ILE A 82 -3.666 -3.024 -12.828 1.00 1.12 C ATOM 0 HA ILE A 82 -2.170 -5.288 -13.473 1.00 23.30 H new ATOM 0 HB ILE A 82 -4.988 -6.284 -12.877 1.00 42.53 H new ATOM 0 HG12 ILE A 82 -5.090 -4.097 -14.007 1.00 22.31 H new ATOM 0 HG13 ILE A 82 -5.537 -3.924 -12.321 1.00 22.31 H new ATOM 0 HG21 ILE A 82 -4.587 -5.443 -10.576 1.00 60.43 H new ATOM 0 HG22 ILE A 82 -3.456 -6.743 -11.021 1.00 60.43 H new ATOM 0 HG23 ILE A 82 -2.910 -5.049 -11.022 1.00 60.43 H new ATOM 0 HD11 ILE A 82 -4.126 -2.061 -13.049 1.00 1.12 H new ATOM 0 HD12 ILE A 82 -3.293 -3.021 -11.804 1.00 1.12 H new ATOM 0 HD13 ILE A 82 -2.838 -3.197 -13.516 1.00 1.12 H new ATOM 1401 N PRO A 83 -1.342 -7.701 -12.932 1.00 70.25 N ATOM 1402 CA PRO A 83 -0.839 -9.090 -12.723 1.00 24.04 C ATOM 1403 C PRO A 83 -1.470 -9.797 -11.485 1.00 2.24 C ATOM 1404 O PRO A 83 -0.762 -10.255 -10.581 1.00 23.31 O ATOM 1405 CB PRO A 83 0.682 -8.859 -12.556 1.00 42.03 C ATOM 1406 CG PRO A 83 0.797 -7.507 -11.919 1.00 55.31 C ATOM 1407 CD PRO A 83 -0.331 -6.683 -12.498 1.00 64.23 C ATOM 0 HA PRO A 83 -1.098 -9.763 -13.541 1.00 24.04 H new ATOM 0 HB2 PRO A 83 1.133 -9.630 -11.931 1.00 42.03 H new ATOM 0 HB3 PRO A 83 1.194 -8.888 -13.518 1.00 42.03 H new ATOM 0 HG2 PRO A 83 0.714 -7.577 -10.834 1.00 55.31 H new ATOM 0 HG3 PRO A 83 1.764 -7.053 -12.136 1.00 55.31 H new ATOM 0 HD2 PRO A 83 -0.746 -5.999 -11.757 1.00 64.23 H new ATOM 0 HD3 PRO A 83 0.009 -6.076 -13.337 1.00 64.23 H new ATOM 1415 N CYS A 84 -2.808 -9.919 -11.499 1.00 4.12 N ATOM 1416 CA CYS A 84 -3.601 -10.516 -10.411 1.00 34.42 C ATOM 1417 C CYS A 84 -5.060 -10.695 -10.878 1.00 44.54 C ATOM 1418 O CYS A 84 -5.448 -10.149 -11.922 1.00 74.12 O ATOM 1419 CB CYS A 84 -3.546 -9.620 -9.151 1.00 53.13 C ATOM 1420 SG CYS A 84 -4.352 -10.329 -7.706 1.00 13.15 S ATOM 0 H CYS A 84 -3.379 -9.600 -12.281 1.00 4.12 H new ATOM 0 HA CYS A 84 -3.184 -11.490 -10.156 1.00 34.42 H new ATOM 0 HB2 CYS A 84 -2.503 -9.417 -8.908 1.00 53.13 H new ATOM 0 HB3 CYS A 84 -4.012 -8.662 -9.380 1.00 53.13 H new ATOM 0 HG CYS A 84 -4.095 -11.602 -7.647 1.00 13.15 H new ATOM 1426 N GLN A 85 -5.858 -11.486 -10.126 1.00 34.25 N ATOM 1427 CA GLN A 85 -7.326 -11.578 -10.346 1.00 51.02 C ATOM 1428 C GLN A 85 -8.003 -10.285 -9.838 1.00 22.32 C ATOM 1429 O GLN A 85 -9.064 -9.881 -10.328 1.00 53.24 O ATOM 1430 CB GLN A 85 -7.941 -12.839 -9.656 1.00 30.52 C ATOM 1431 CG GLN A 85 -7.970 -12.808 -8.110 1.00 1.42 C ATOM 1432 CD GLN A 85 -8.697 -14.000 -7.472 1.00 24.25 C ATOM 1433 OE1 GLN A 85 -8.339 -14.335 -6.244 1.00 71.53 O flip ATOM 1434 NE2 GLN A 85 -9.606 -14.589 -8.060 1.00 3.22 N flip ATOM 0 H GLN A 85 -5.515 -12.070 -9.363 1.00 34.25 H new ATOM 0 HA GLN A 85 -7.507 -11.685 -11.415 1.00 51.02 H new ATOM 0 HB2 GLN A 85 -8.961 -12.968 -10.018 1.00 30.52 H new ATOM 0 HB3 GLN A 85 -7.377 -13.716 -9.973 1.00 30.52 H new ATOM 0 HG2 GLN A 85 -6.946 -12.780 -7.739 1.00 1.42 H new ATOM 0 HG3 GLN A 85 -8.452 -11.886 -7.785 1.00 1.42 H new ATOM 0 HE21 GLN A 85 -9.864 -14.312 -9.007 1.00 3.22 H new ATOM 0 HE22 GLN A 85 -10.100 -15.353 -7.599 1.00 3.22 H new ATOM 1443 N ASN A 86 -7.349 -9.659 -8.837 1.00 62.33 N ATOM 1444 CA ASN A 86 -7.695 -8.326 -8.311 1.00 50.24 C ATOM 1445 C ASN A 86 -7.163 -7.240 -9.257 1.00 22.23 C ATOM 1446 O ASN A 86 -6.264 -7.495 -10.068 1.00 42.42 O ATOM 1447 CB ASN A 86 -7.101 -8.151 -6.885 1.00 3.52 C ATOM 1448 CG ASN A 86 -7.807 -8.989 -5.819 1.00 14.45 C ATOM 1449 OD1 ASN A 86 -8.402 -10.026 -6.106 1.00 53.01 O ATOM 1450 ND2 ASN A 86 -7.720 -8.564 -4.568 1.00 74.52 N ATOM 0 H ASN A 86 -6.548 -10.077 -8.363 1.00 62.33 H new ATOM 0 HA ASN A 86 -8.779 -8.231 -8.248 1.00 50.24 H new ATOM 0 HB2 ASN A 86 -6.045 -8.420 -6.905 1.00 3.52 H new ATOM 0 HB3 ASN A 86 -7.157 -7.099 -6.604 1.00 3.52 H new ATOM 0 HD21 ASN A 86 -8.152 -9.100 -3.816 1.00 74.52 H new ATOM 0 HD22 ASN A 86 -7.221 -7.700 -4.356 1.00 74.52 H new ATOM 1457 N LYS A 87 -7.709 -6.024 -9.129 1.00 64.24 N ATOM 1458 CA LYS A 87 -7.435 -4.907 -10.048 1.00 21.03 C ATOM 1459 C LYS A 87 -7.219 -3.603 -9.258 1.00 41.20 C ATOM 1460 O LYS A 87 -7.864 -3.390 -8.226 1.00 13.30 O ATOM 1461 CB LYS A 87 -8.608 -4.770 -11.056 1.00 20.03 C ATOM 1462 CG LYS A 87 -8.460 -3.615 -12.073 1.00 21.41 C ATOM 1463 CD LYS A 87 -9.603 -3.572 -13.113 1.00 51.35 C ATOM 1464 CE LYS A 87 -10.998 -3.432 -12.473 1.00 21.55 C ATOM 1465 NZ LYS A 87 -12.074 -3.331 -13.496 1.00 54.24 N ATOM 0 H LYS A 87 -8.358 -5.784 -8.380 1.00 64.24 H new ATOM 0 HA LYS A 87 -6.520 -5.108 -10.605 1.00 21.03 H new ATOM 0 HB2 LYS A 87 -8.708 -5.707 -11.604 1.00 20.03 H new ATOM 0 HB3 LYS A 87 -9.533 -4.627 -10.498 1.00 20.03 H new ATOM 0 HG2 LYS A 87 -8.430 -2.667 -11.535 1.00 21.41 H new ATOM 0 HG3 LYS A 87 -7.507 -3.717 -12.593 1.00 21.41 H new ATOM 0 HD2 LYS A 87 -9.436 -2.736 -13.793 1.00 51.35 H new ATOM 0 HD3 LYS A 87 -9.575 -4.482 -13.713 1.00 51.35 H new ATOM 0 HE2 LYS A 87 -11.189 -4.291 -11.829 1.00 21.55 H new ATOM 0 HE3 LYS A 87 -11.018 -2.547 -11.837 1.00 21.55 H new ATOM 0 HZ1 LYS A 87 -12.995 -3.238 -13.023 1.00 54.24 H new ATOM 0 HZ2 LYS A 87 -11.907 -2.497 -14.095 1.00 54.24 H new ATOM 0 HZ3 LYS A 87 -12.073 -4.187 -14.087 1.00 54.24 H new ATOM 1479 N TYR A 88 -6.326 -2.735 -9.794 1.00 54.00 N ATOM 1480 CA TYR A 88 -5.904 -1.464 -9.173 1.00 63.14 C ATOM 1481 C TYR A 88 -5.049 -1.730 -7.904 1.00 71.12 C ATOM 1482 O TYR A 88 -5.587 -1.833 -6.790 1.00 5.21 O ATOM 1483 CB TYR A 88 -7.100 -0.523 -8.852 1.00 12.44 C ATOM 1484 CG TYR A 88 -7.972 -0.116 -10.059 1.00 34.14 C ATOM 1485 CD1 TYR A 88 -7.412 0.523 -11.171 1.00 33.02 C ATOM 1486 CD2 TYR A 88 -9.352 -0.347 -10.076 1.00 51.21 C ATOM 1487 CE1 TYR A 88 -8.193 0.901 -12.252 1.00 43.23 C ATOM 1488 CE2 TYR A 88 -10.132 0.034 -11.155 1.00 52.32 C ATOM 1489 CZ TYR A 88 -9.550 0.660 -12.237 1.00 53.12 C ATOM 1490 OH TYR A 88 -10.337 1.045 -13.305 1.00 64.55 O ATOM 0 H TYR A 88 -5.871 -2.907 -10.691 1.00 54.00 H new ATOM 0 HA TYR A 88 -5.289 -0.943 -9.907 1.00 63.14 H new ATOM 0 HB2 TYR A 88 -7.737 -1.013 -8.115 1.00 12.44 H new ATOM 0 HB3 TYR A 88 -6.712 0.382 -8.386 1.00 12.44 H new ATOM 0 HD1 TYR A 88 -6.351 0.725 -11.187 1.00 33.02 H new ATOM 0 HD2 TYR A 88 -9.818 -0.832 -9.231 1.00 51.21 H new ATOM 0 HE1 TYR A 88 -7.739 1.384 -13.105 1.00 43.23 H new ATOM 0 HE2 TYR A 88 -11.195 -0.159 -11.149 1.00 52.32 H new ATOM 0 HH TYR A 88 -11.269 0.798 -13.130 1.00 64.55 H new ATOM 1500 N PRO A 89 -3.702 -1.904 -8.065 1.00 40.14 N ATOM 1501 CA PRO A 89 -2.781 -2.054 -6.926 1.00 23.03 C ATOM 1502 C PRO A 89 -2.360 -0.696 -6.330 1.00 22.45 C ATOM 1503 O PRO A 89 -2.180 0.291 -7.054 1.00 31.44 O ATOM 1504 CB PRO A 89 -1.578 -2.791 -7.550 1.00 14.30 C ATOM 1505 CG PRO A 89 -1.543 -2.335 -8.981 1.00 70.31 C ATOM 1506 CD PRO A 89 -2.973 -1.990 -9.361 1.00 3.03 C ATOM 0 HA PRO A 89 -3.233 -2.588 -6.090 1.00 23.03 H new ATOM 0 HB2 PRO A 89 -0.651 -2.542 -7.033 1.00 14.30 H new ATOM 0 HB3 PRO A 89 -1.699 -3.872 -7.483 1.00 14.30 H new ATOM 0 HG2 PRO A 89 -0.892 -1.469 -9.096 1.00 70.31 H new ATOM 0 HG3 PRO A 89 -1.148 -3.118 -9.628 1.00 70.31 H new ATOM 0 HD2 PRO A 89 -3.021 -1.047 -9.905 1.00 3.03 H new ATOM 0 HD3 PRO A 89 -3.405 -2.753 -10.008 1.00 3.03 H new ATOM 1514 N PHE A 90 -2.240 -0.650 -5.004 1.00 44.42 N ATOM 1515 CA PHE A 90 -1.635 0.467 -4.275 1.00 10.14 C ATOM 1516 C PHE A 90 -0.411 -0.044 -3.514 1.00 60.04 C ATOM 1517 O PHE A 90 -0.298 -1.241 -3.239 1.00 11.24 O ATOM 1518 CB PHE A 90 -2.664 1.132 -3.321 1.00 43.43 C ATOM 1519 CG PHE A 90 -3.308 0.203 -2.277 1.00 13.34 C ATOM 1520 CD1 PHE A 90 -4.397 -0.613 -2.615 1.00 30.40 C ATOM 1521 CD2 PHE A 90 -2.841 0.155 -0.958 1.00 22.43 C ATOM 1522 CE1 PHE A 90 -4.989 -1.441 -1.674 1.00 1.11 C ATOM 1523 CE2 PHE A 90 -3.435 -0.675 -0.022 1.00 32.43 C ATOM 1524 CZ PHE A 90 -4.508 -1.470 -0.380 1.00 65.12 C ATOM 0 H PHE A 90 -2.566 -1.400 -4.394 1.00 44.42 H new ATOM 0 HA PHE A 90 -1.319 1.235 -4.981 1.00 10.14 H new ATOM 0 HB2 PHE A 90 -2.169 1.949 -2.796 1.00 43.43 H new ATOM 0 HB3 PHE A 90 -3.457 1.574 -3.924 1.00 43.43 H new ATOM 0 HD1 PHE A 90 -4.781 -0.596 -3.624 1.00 30.40 H new ATOM 0 HD2 PHE A 90 -2.006 0.774 -0.666 1.00 22.43 H new ATOM 0 HE1 PHE A 90 -5.826 -2.063 -1.953 1.00 1.11 H new ATOM 0 HE2 PHE A 90 -3.059 -0.701 0.990 1.00 32.43 H new ATOM 0 HZ PHE A 90 -4.970 -2.114 0.353 1.00 65.12 H new ATOM 1534 N GLN A 91 0.493 0.871 -3.169 1.00 33.13 N ATOM 1535 CA GLN A 91 1.783 0.542 -2.549 1.00 44.11 C ATOM 1536 C GLN A 91 1.956 1.283 -1.221 1.00 72.32 C ATOM 1537 O GLN A 91 1.451 2.397 -1.046 1.00 15.01 O ATOM 1538 CB GLN A 91 2.933 0.875 -3.533 1.00 74.33 C ATOM 1539 CG GLN A 91 2.900 2.307 -4.111 1.00 70.02 C ATOM 1540 CD GLN A 91 3.985 2.581 -5.154 1.00 61.24 C ATOM 1541 OE1 GLN A 91 5.107 2.093 -5.048 1.00 40.21 O ATOM 1542 NE2 GLN A 91 3.637 3.316 -6.194 1.00 60.31 N ATOM 0 H GLN A 91 0.353 1.871 -3.312 1.00 33.13 H new ATOM 0 HA GLN A 91 1.810 -0.525 -2.330 1.00 44.11 H new ATOM 0 HB2 GLN A 91 3.884 0.727 -3.021 1.00 74.33 H new ATOM 0 HB3 GLN A 91 2.902 0.165 -4.359 1.00 74.33 H new ATOM 0 HG2 GLN A 91 1.924 2.483 -4.562 1.00 70.02 H new ATOM 0 HG3 GLN A 91 3.007 3.020 -3.294 1.00 70.02 H new ATOM 0 HE21 GLN A 91 2.696 3.706 -6.251 1.00 60.31 H new ATOM 0 HE22 GLN A 91 4.309 3.493 -6.941 1.00 60.31 H new ATOM 1551 N VAL A 92 2.684 0.635 -0.299 1.00 12.50 N ATOM 1552 CA VAL A 92 2.965 1.144 1.044 1.00 22.52 C ATOM 1553 C VAL A 92 4.495 1.194 1.208 1.00 72.45 C ATOM 1554 O VAL A 92 5.142 0.151 1.366 1.00 30.54 O ATOM 1555 CB VAL A 92 2.304 0.240 2.158 1.00 22.52 C ATOM 1556 CG1 VAL A 92 2.581 0.797 3.571 1.00 72.22 C ATOM 1557 CG2 VAL A 92 0.780 0.077 1.915 1.00 63.40 C ATOM 0 H VAL A 92 3.102 -0.279 -0.475 1.00 12.50 H new ATOM 0 HA VAL A 92 2.535 2.139 1.163 1.00 22.52 H new ATOM 0 HB VAL A 92 2.762 -0.747 2.094 1.00 22.52 H new ATOM 0 HG11 VAL A 92 2.113 0.152 4.315 1.00 72.22 H new ATOM 0 HG12 VAL A 92 3.657 0.830 3.745 1.00 72.22 H new ATOM 0 HG13 VAL A 92 2.170 1.803 3.653 1.00 72.22 H new ATOM 0 HG21 VAL A 92 0.352 -0.550 2.697 1.00 63.40 H new ATOM 0 HG22 VAL A 92 0.302 1.056 1.933 1.00 63.40 H new ATOM 0 HG23 VAL A 92 0.614 -0.390 0.944 1.00 63.40 H new ATOM 1567 N VAL A 93 5.060 2.404 1.110 1.00 61.24 N ATOM 1568 CA VAL A 93 6.514 2.637 1.150 1.00 64.13 C ATOM 1569 C VAL A 93 6.963 2.812 2.616 1.00 0.54 C ATOM 1570 O VAL A 93 6.346 3.582 3.356 1.00 33.22 O ATOM 1571 CB VAL A 93 6.889 3.914 0.301 1.00 4.22 C ATOM 1572 CG1 VAL A 93 8.414 4.140 0.244 1.00 31.54 C ATOM 1573 CG2 VAL A 93 6.281 3.845 -1.126 1.00 32.32 C ATOM 0 H VAL A 93 4.517 3.260 0.999 1.00 61.24 H new ATOM 0 HA VAL A 93 7.029 1.779 0.718 1.00 64.13 H new ATOM 0 HB VAL A 93 6.452 4.773 0.809 1.00 4.22 H new ATOM 0 HG11 VAL A 93 8.628 5.029 -0.350 1.00 31.54 H new ATOM 0 HG12 VAL A 93 8.800 4.277 1.254 1.00 31.54 H new ATOM 0 HG13 VAL A 93 8.893 3.274 -0.213 1.00 31.54 H new ATOM 0 HG21 VAL A 93 6.559 4.740 -1.683 1.00 32.32 H new ATOM 0 HG22 VAL A 93 6.662 2.963 -1.642 1.00 32.32 H new ATOM 0 HG23 VAL A 93 5.195 3.783 -1.056 1.00 32.32 H new ATOM 1583 N HIS A 94 8.027 2.091 3.024 1.00 73.13 N ATOM 1584 CA HIS A 94 8.541 2.107 4.414 1.00 12.20 C ATOM 1585 C HIS A 94 10.064 1.835 4.442 1.00 11.42 C ATOM 1586 O HIS A 94 10.714 1.891 3.394 1.00 64.53 O ATOM 1587 CB HIS A 94 7.756 1.095 5.292 1.00 43.42 C ATOM 1588 CG HIS A 94 7.778 -0.340 4.821 1.00 15.31 C ATOM 1589 ND1 HIS A 94 8.531 -1.321 5.430 1.00 12.12 N ATOM 1590 CD2 HIS A 94 7.085 -0.967 3.839 1.00 61.34 C ATOM 1591 CE1 HIS A 94 8.307 -2.477 4.838 1.00 53.02 C ATOM 1592 NE2 HIS A 94 7.433 -2.292 3.875 1.00 42.24 N ATOM 0 H HIS A 94 8.556 1.480 2.401 1.00 73.13 H new ATOM 0 HA HIS A 94 8.385 3.101 4.834 1.00 12.20 H new ATOM 0 HB2 HIS A 94 8.159 1.132 6.304 1.00 43.42 H new ATOM 0 HB3 HIS A 94 6.718 1.422 5.351 1.00 43.42 H new ATOM 0 HD2 HIS A 94 6.387 -0.507 3.155 1.00 61.34 H new ATOM 0 HE1 HIS A 94 8.765 -3.419 5.101 1.00 53.02 H new ATOM 0 HE2 HIS A 94 7.072 -3.017 3.255 1.00 42.24 H new ATOM 1601 N ASP A 95 10.612 1.551 5.655 1.00 54.11 N ATOM 1602 CA ASP A 95 12.074 1.355 5.893 1.00 0.20 C ATOM 1603 C ASP A 95 12.668 0.267 4.981 1.00 12.11 C ATOM 1604 O ASP A 95 13.795 0.387 4.508 1.00 60.43 O ATOM 1605 CB ASP A 95 12.355 0.949 7.372 1.00 72.42 C ATOM 1606 CG ASP A 95 11.653 1.835 8.409 1.00 73.12 C ATOM 1607 OD1 ASP A 95 12.214 2.887 8.797 1.00 75.52 O ATOM 1608 OD2 ASP A 95 10.537 1.471 8.850 1.00 50.23 O ATOM 0 H ASP A 95 10.051 1.451 6.501 1.00 54.11 H new ATOM 0 HA ASP A 95 12.546 2.312 5.668 1.00 0.20 H new ATOM 0 HB2 ASP A 95 12.040 -0.084 7.520 1.00 72.42 H new ATOM 0 HB3 ASP A 95 13.430 0.983 7.549 1.00 72.42 H new ATOM 1613 N ALA A 96 11.900 -0.810 4.788 1.00 54.03 N ATOM 1614 CA ALA A 96 12.310 -1.973 3.977 1.00 51.50 C ATOM 1615 C ALA A 96 11.670 -1.909 2.566 1.00 51.42 C ATOM 1616 O ALA A 96 11.419 -0.815 2.038 1.00 52.44 O ATOM 1617 CB ALA A 96 11.924 -3.254 4.746 1.00 14.34 C ATOM 0 H ALA A 96 10.968 -0.905 5.191 1.00 54.03 H new ATOM 0 HA ALA A 96 13.388 -1.972 3.819 1.00 51.50 H new ATOM 0 HB1 ALA A 96 12.217 -4.129 4.166 1.00 14.34 H new ATOM 0 HB2 ALA A 96 12.435 -3.269 5.708 1.00 14.34 H new ATOM 0 HB3 ALA A 96 10.846 -3.271 4.908 1.00 14.34 H new ATOM 1623 N ASN A 97 11.417 -3.091 1.972 1.00 52.51 N ATOM 1624 CA ASN A 97 10.814 -3.237 0.637 1.00 21.12 C ATOM 1625 C ASN A 97 9.383 -2.656 0.582 1.00 13.53 C ATOM 1626 O ASN A 97 8.602 -2.814 1.525 1.00 74.33 O ATOM 1627 CB ASN A 97 10.778 -4.742 0.245 1.00 21.50 C ATOM 1628 CG ASN A 97 10.035 -5.651 1.256 1.00 62.14 C ATOM 1629 OD1 ASN A 97 10.043 -5.417 2.465 1.00 61.45 O ATOM 1630 ND2 ASN A 97 9.383 -6.697 0.772 1.00 13.23 N ATOM 0 H ASN A 97 11.630 -3.985 2.415 1.00 52.51 H new ATOM 0 HA ASN A 97 11.428 -2.677 -0.068 1.00 21.12 H new ATOM 0 HB2 ASN A 97 10.301 -4.839 -0.730 1.00 21.50 H new ATOM 0 HB3 ASN A 97 11.801 -5.101 0.137 1.00 21.50 H new ATOM 0 HD21 ASN A 97 8.879 -7.320 1.403 1.00 13.23 H new ATOM 0 HD22 ASN A 97 9.385 -6.879 -0.232 1.00 13.23 H new ATOM 1637 N THR A 98 9.056 -1.998 -0.545 1.00 33.51 N ATOM 1638 CA THR A 98 7.731 -1.399 -0.781 1.00 22.53 C ATOM 1639 C THR A 98 6.680 -2.514 -0.997 1.00 72.33 C ATOM 1640 O THR A 98 6.868 -3.402 -1.843 1.00 73.25 O ATOM 1641 CB THR A 98 7.780 -0.438 -2.022 1.00 25.15 C ATOM 1642 OG1 THR A 98 8.831 0.532 -1.837 1.00 4.24 O ATOM 1643 CG2 THR A 98 6.439 0.293 -2.247 1.00 31.34 C ATOM 0 H THR A 98 9.706 -1.867 -1.320 1.00 33.51 H new ATOM 0 HA THR A 98 7.445 -0.814 0.093 1.00 22.53 H new ATOM 0 HB THR A 98 7.975 -1.048 -2.904 1.00 25.15 H new ATOM 0 HG1 THR A 98 8.863 1.131 -2.612 1.00 4.24 H new ATOM 0 HG21 THR A 98 6.522 0.946 -3.116 1.00 31.34 H new ATOM 0 HG22 THR A 98 5.650 -0.439 -2.417 1.00 31.34 H new ATOM 0 HG23 THR A 98 6.197 0.889 -1.367 1.00 31.34 H new ATOM 1651 N LEU A 99 5.592 -2.475 -0.203 1.00 43.04 N ATOM 1652 CA LEU A 99 4.551 -3.519 -0.214 1.00 14.23 C ATOM 1653 C LEU A 99 3.455 -3.183 -1.245 1.00 4.12 C ATOM 1654 O LEU A 99 2.734 -2.200 -1.086 1.00 73.34 O ATOM 1655 CB LEU A 99 3.941 -3.694 1.205 1.00 44.21 C ATOM 1656 CG LEU A 99 2.802 -4.761 1.329 1.00 21.35 C ATOM 1657 CD1 LEU A 99 3.253 -6.149 0.829 1.00 24.33 C ATOM 1658 CD2 LEU A 99 2.260 -4.842 2.772 1.00 61.23 C ATOM 0 H LEU A 99 5.411 -1.722 0.461 1.00 43.04 H new ATOM 0 HA LEU A 99 5.012 -4.463 -0.506 1.00 14.23 H new ATOM 0 HB2 LEU A 99 4.742 -3.963 1.894 1.00 44.21 H new ATOM 0 HB3 LEU A 99 3.549 -2.731 1.533 1.00 44.21 H new ATOM 0 HG LEU A 99 1.989 -4.432 0.682 1.00 21.35 H new ATOM 0 HD11 LEU A 99 2.432 -6.858 0.934 1.00 24.33 H new ATOM 0 HD12 LEU A 99 3.543 -6.081 -0.220 1.00 24.33 H new ATOM 0 HD13 LEU A 99 4.104 -6.490 1.419 1.00 24.33 H new ATOM 0 HD21 LEU A 99 1.471 -5.592 2.823 1.00 61.23 H new ATOM 0 HD22 LEU A 99 3.068 -5.119 3.449 1.00 61.23 H new ATOM 0 HD23 LEU A 99 1.858 -3.872 3.065 1.00 61.23 H new ATOM 1670 N TYR A 100 3.351 -4.013 -2.295 1.00 55.24 N ATOM 1671 CA TYR A 100 2.357 -3.846 -3.366 1.00 22.14 C ATOM 1672 C TYR A 100 1.127 -4.708 -3.077 1.00 54.21 C ATOM 1673 O TYR A 100 1.163 -5.930 -3.216 1.00 35.41 O ATOM 1674 CB TYR A 100 2.993 -4.190 -4.735 1.00 12.52 C ATOM 1675 CG TYR A 100 4.034 -3.147 -5.139 1.00 13.02 C ATOM 1676 CD1 TYR A 100 3.644 -1.993 -5.806 1.00 73.12 C ATOM 1677 CD2 TYR A 100 5.380 -3.281 -4.797 1.00 3.11 C ATOM 1678 CE1 TYR A 100 4.549 -1.010 -6.120 1.00 62.34 C ATOM 1679 CE2 TYR A 100 6.290 -2.297 -5.119 1.00 32.52 C ATOM 1680 CZ TYR A 100 5.861 -1.164 -5.777 1.00 42.43 C ATOM 1681 OH TYR A 100 6.755 -0.173 -6.082 1.00 60.24 O ATOM 0 H TYR A 100 3.957 -4.823 -2.425 1.00 55.24 H new ATOM 0 HA TYR A 100 2.031 -2.807 -3.404 1.00 22.14 H new ATOM 0 HB2 TYR A 100 3.460 -5.173 -4.685 1.00 12.52 H new ATOM 0 HB3 TYR A 100 2.215 -4.245 -5.497 1.00 12.52 H new ATOM 0 HD1 TYR A 100 2.608 -1.867 -6.083 1.00 73.12 H new ATOM 0 HD2 TYR A 100 5.713 -4.166 -4.274 1.00 3.11 H new ATOM 0 HE1 TYR A 100 4.224 -0.119 -6.636 1.00 62.34 H new ATOM 0 HE2 TYR A 100 7.332 -2.413 -4.858 1.00 32.52 H new ATOM 0 HH TYR A 100 6.394 0.692 -5.796 1.00 60.24 H new ATOM 1691 N ILE A 101 0.059 -4.040 -2.643 1.00 33.12 N ATOM 1692 CA ILE A 101 -1.219 -4.663 -2.293 1.00 65.31 C ATOM 1693 C ILE A 101 -2.230 -4.432 -3.439 1.00 42.31 C ATOM 1694 O ILE A 101 -2.353 -3.318 -3.937 1.00 44.32 O ATOM 1695 CB ILE A 101 -1.780 -4.056 -0.956 1.00 72.31 C ATOM 1696 CG1 ILE A 101 -0.685 -4.022 0.156 1.00 4.31 C ATOM 1697 CG2 ILE A 101 -3.012 -4.849 -0.483 1.00 32.21 C ATOM 1698 CD1 ILE A 101 -1.099 -3.320 1.439 1.00 41.22 C ATOM 0 H ILE A 101 0.057 -3.027 -2.522 1.00 33.12 H new ATOM 0 HA ILE A 101 -1.065 -5.732 -2.148 1.00 65.31 H new ATOM 0 HB ILE A 101 -2.082 -3.027 -1.154 1.00 72.31 H new ATOM 0 HG12 ILE A 101 -0.399 -5.046 0.395 1.00 4.31 H new ATOM 0 HG13 ILE A 101 0.201 -3.528 -0.242 1.00 4.31 H new ATOM 0 HG21 ILE A 101 -3.389 -4.417 0.444 1.00 32.21 H new ATOM 0 HG22 ILE A 101 -3.789 -4.804 -1.247 1.00 32.21 H new ATOM 0 HG23 ILE A 101 -2.732 -5.888 -0.311 1.00 32.21 H new ATOM 0 HD11 ILE A 101 -0.274 -3.347 2.151 1.00 41.22 H new ATOM 0 HD12 ILE A 101 -1.356 -2.283 1.220 1.00 41.22 H new ATOM 0 HD13 ILE A 101 -1.965 -3.825 1.867 1.00 41.22 H new ATOM 1710 N PHE A 102 -2.951 -5.490 -3.827 1.00 31.23 N ATOM 1711 CA PHE A 102 -3.905 -5.491 -4.949 1.00 11.22 C ATOM 1712 C PHE A 102 -5.331 -5.570 -4.384 1.00 22.02 C ATOM 1713 O PHE A 102 -5.653 -6.500 -3.626 1.00 31.11 O ATOM 1714 CB PHE A 102 -3.606 -6.695 -5.896 1.00 43.42 C ATOM 1715 CG PHE A 102 -2.273 -6.579 -6.662 1.00 71.31 C ATOM 1716 CD1 PHE A 102 -1.041 -6.606 -5.994 1.00 50.42 C ATOM 1717 CD2 PHE A 102 -2.253 -6.423 -8.047 1.00 31.20 C ATOM 1718 CE1 PHE A 102 0.152 -6.476 -6.689 1.00 51.53 C ATOM 1719 CE2 PHE A 102 -1.060 -6.292 -8.739 1.00 20.41 C ATOM 1720 CZ PHE A 102 0.142 -6.321 -8.061 1.00 40.42 C ATOM 0 H PHE A 102 -2.888 -6.394 -3.359 1.00 31.23 H new ATOM 0 HA PHE A 102 -3.806 -4.575 -5.532 1.00 11.22 H new ATOM 0 HB2 PHE A 102 -3.595 -7.612 -5.307 1.00 43.42 H new ATOM 0 HB3 PHE A 102 -4.419 -6.788 -6.616 1.00 43.42 H new ATOM 0 HD1 PHE A 102 -1.021 -6.730 -4.921 1.00 50.42 H new ATOM 0 HD2 PHE A 102 -3.186 -6.404 -8.591 1.00 31.20 H new ATOM 0 HE1 PHE A 102 1.091 -6.496 -6.156 1.00 51.53 H new ATOM 0 HE2 PHE A 102 -1.070 -6.167 -9.812 1.00 20.41 H new ATOM 0 HZ PHE A 102 1.072 -6.223 -8.602 1.00 40.42 H new ATOM 1730 N ALA A 103 -6.168 -4.588 -4.746 1.00 31.00 N ATOM 1731 CA ALA A 103 -7.539 -4.458 -4.224 1.00 73.33 C ATOM 1732 C ALA A 103 -8.542 -5.233 -5.108 1.00 61.22 C ATOM 1733 O ALA A 103 -8.414 -5.204 -6.328 1.00 33.34 O ATOM 1734 CB ALA A 103 -7.916 -2.974 -4.147 1.00 34.04 C ATOM 0 H ALA A 103 -5.914 -3.858 -5.411 1.00 31.00 H new ATOM 0 HA ALA A 103 -7.580 -4.890 -3.224 1.00 73.33 H new ATOM 0 HB1 ALA A 103 -8.931 -2.876 -3.761 1.00 34.04 H new ATOM 0 HB2 ALA A 103 -7.223 -2.457 -3.483 1.00 34.04 H new ATOM 0 HB3 ALA A 103 -7.862 -2.533 -5.142 1.00 34.04 H new ATOM 1740 N PRO A 104 -9.560 -5.946 -4.513 1.00 50.32 N ATOM 1741 CA PRO A 104 -10.593 -6.689 -5.294 1.00 22.11 C ATOM 1742 C PRO A 104 -11.522 -5.762 -6.107 1.00 34.13 C ATOM 1743 O PRO A 104 -12.176 -6.209 -7.056 1.00 13.21 O ATOM 1744 CB PRO A 104 -11.388 -7.468 -4.205 1.00 20.53 C ATOM 1745 CG PRO A 104 -10.509 -7.442 -2.988 1.00 45.52 C ATOM 1746 CD PRO A 104 -9.775 -6.126 -3.054 1.00 54.25 C ATOM 0 HA PRO A 104 -10.139 -7.335 -6.046 1.00 22.11 H new ATOM 0 HB2 PRO A 104 -12.351 -6.997 -4.007 1.00 20.53 H new ATOM 0 HB3 PRO A 104 -11.593 -8.491 -4.522 1.00 20.53 H new ATOM 0 HG2 PRO A 104 -11.099 -7.517 -2.075 1.00 45.52 H new ATOM 0 HG3 PRO A 104 -9.813 -8.281 -2.988 1.00 45.52 H new ATOM 0 HD2 PRO A 104 -10.362 -5.313 -2.628 1.00 54.25 H new ATOM 0 HD3 PRO A 104 -8.833 -6.160 -2.507 1.00 54.25 H new ATOM 1754 N SER A 105 -11.567 -4.479 -5.724 1.00 3.21 N ATOM 1755 CA SER A 105 -12.421 -3.474 -6.371 1.00 43.43 C ATOM 1756 C SER A 105 -11.784 -2.070 -6.251 1.00 53.55 C ATOM 1757 O SER A 105 -10.956 -1.846 -5.359 1.00 12.42 O ATOM 1758 CB SER A 105 -13.829 -3.496 -5.717 1.00 61.20 C ATOM 1759 OG SER A 105 -13.763 -3.193 -4.330 1.00 4.41 O ATOM 0 H SER A 105 -11.010 -4.108 -4.954 1.00 3.21 H new ATOM 0 HA SER A 105 -12.518 -3.710 -7.431 1.00 43.43 H new ATOM 0 HB2 SER A 105 -14.475 -2.775 -6.218 1.00 61.20 H new ATOM 0 HB3 SER A 105 -14.280 -4.479 -5.855 1.00 61.20 H new ATOM 0 HG SER A 105 -14.633 -3.368 -3.915 1.00 4.41 H new ATOM 1765 N PRO A 106 -12.178 -1.083 -7.136 1.00 62.01 N ATOM 1766 CA PRO A 106 -11.830 0.356 -6.956 1.00 2.41 C ATOM 1767 C PRO A 106 -12.465 0.971 -5.684 1.00 12.21 C ATOM 1768 O PRO A 106 -12.076 2.067 -5.265 1.00 12.13 O ATOM 1769 CB PRO A 106 -12.379 1.025 -8.243 1.00 61.43 C ATOM 1770 CG PRO A 106 -13.437 0.091 -8.741 1.00 71.20 C ATOM 1771 CD PRO A 106 -12.938 -1.294 -8.404 1.00 0.10 C ATOM 0 HA PRO A 106 -10.759 0.503 -6.817 1.00 2.41 H new ATOM 0 HB2 PRO A 106 -12.791 2.012 -8.031 1.00 61.43 H new ATOM 0 HB3 PRO A 106 -11.592 1.161 -8.984 1.00 61.43 H new ATOM 0 HG2 PRO A 106 -14.395 0.291 -8.262 1.00 71.20 H new ATOM 0 HG3 PRO A 106 -13.588 0.204 -9.815 1.00 71.20 H new ATOM 0 HD2 PRO A 106 -13.760 -1.997 -8.269 1.00 0.10 H new ATOM 0 HD3 PRO A 106 -12.302 -1.696 -9.193 1.00 0.10 H new ATOM 1779 N GLN A 107 -13.407 0.228 -5.066 1.00 23.14 N ATOM 1780 CA GLN A 107 -14.056 0.629 -3.810 1.00 2.41 C ATOM 1781 C GLN A 107 -13.077 0.377 -2.655 1.00 22.41 C ATOM 1782 O GLN A 107 -12.846 1.254 -1.814 1.00 34.12 O ATOM 1783 CB GLN A 107 -15.368 -0.165 -3.571 1.00 52.31 C ATOM 1784 CG GLN A 107 -16.448 0.021 -4.658 1.00 11.03 C ATOM 1785 CD GLN A 107 -17.788 -0.656 -4.320 1.00 42.23 C ATOM 1786 OE1 GLN A 107 -18.157 -0.800 -3.150 1.00 22.25 O ATOM 1787 NE2 GLN A 107 -18.526 -1.068 -5.340 1.00 54.32 N ATOM 0 H GLN A 107 -13.736 -0.667 -5.428 1.00 23.14 H new ATOM 0 HA GLN A 107 -14.317 1.686 -3.868 1.00 2.41 H new ATOM 0 HB2 GLN A 107 -15.126 -1.225 -3.498 1.00 52.31 H new ATOM 0 HB3 GLN A 107 -15.786 0.133 -2.610 1.00 52.31 H new ATOM 0 HG2 GLN A 107 -16.618 1.087 -4.811 1.00 11.03 H new ATOM 0 HG3 GLN A 107 -16.076 -0.381 -5.600 1.00 11.03 H new ATOM 0 HE21 GLN A 107 -18.195 -0.935 -6.296 1.00 54.32 H new ATOM 0 HE22 GLN A 107 -19.425 -1.518 -5.170 1.00 54.32 H new ATOM 1796 N SER A 108 -12.488 -0.840 -2.669 1.00 23.44 N ATOM 1797 CA SER A 108 -11.464 -1.261 -1.711 1.00 15.23 C ATOM 1798 C SER A 108 -10.212 -0.377 -1.855 1.00 14.22 C ATOM 1799 O SER A 108 -9.701 0.135 -0.865 1.00 13.31 O ATOM 1800 CB SER A 108 -11.102 -2.745 -1.946 1.00 44.52 C ATOM 1801 OG SER A 108 -12.255 -3.571 -1.888 1.00 54.12 O ATOM 0 H SER A 108 -12.719 -1.558 -3.356 1.00 23.44 H new ATOM 0 HA SER A 108 -11.855 -1.150 -0.700 1.00 15.23 H new ATOM 0 HB2 SER A 108 -10.621 -2.855 -2.918 1.00 44.52 H new ATOM 0 HB3 SER A 108 -10.381 -3.069 -1.195 1.00 44.52 H new ATOM 0 HG SER A 108 -12.781 -3.456 -2.707 1.00 54.12 H new ATOM 1807 N ARG A 109 -9.744 -0.212 -3.114 1.00 4.31 N ATOM 1808 CA ARG A 109 -8.618 0.679 -3.475 1.00 33.45 C ATOM 1809 C ARG A 109 -8.770 2.082 -2.856 1.00 63.41 C ATOM 1810 O ARG A 109 -7.917 2.519 -2.083 1.00 25.32 O ATOM 1811 CB ARG A 109 -8.521 0.826 -5.020 1.00 3.31 C ATOM 1812 CG ARG A 109 -7.343 1.714 -5.516 1.00 31.43 C ATOM 1813 CD ARG A 109 -7.646 2.410 -6.858 1.00 32.23 C ATOM 1814 NE ARG A 109 -8.740 3.395 -6.739 1.00 50.42 N ATOM 1815 CZ ARG A 109 -9.648 3.668 -7.691 1.00 13.53 C ATOM 1816 NH1 ARG A 109 -9.626 3.026 -8.864 1.00 42.22 N ATOM 1817 NH2 ARG A 109 -10.578 4.585 -7.461 1.00 64.13 N ATOM 0 H ARG A 109 -10.143 -0.700 -3.916 1.00 4.31 H new ATOM 0 HA ARG A 109 -7.712 0.220 -3.079 1.00 33.45 H new ATOM 0 HB2 ARG A 109 -8.421 -0.166 -5.460 1.00 3.31 H new ATOM 0 HB3 ARG A 109 -9.456 1.246 -5.391 1.00 3.31 H new ATOM 0 HG2 ARG A 109 -7.120 2.469 -4.762 1.00 31.43 H new ATOM 0 HG3 ARG A 109 -6.450 1.098 -5.624 1.00 31.43 H new ATOM 0 HD2 ARG A 109 -6.747 2.910 -7.218 1.00 32.23 H new ATOM 0 HD3 ARG A 109 -7.913 1.660 -7.602 1.00 32.23 H new ATOM 0 HE ARG A 109 -8.812 3.911 -5.862 1.00 50.42 H new ATOM 0 HH11 ARG A 109 -8.914 2.319 -9.045 1.00 42.22 H new ATOM 0 HH12 ARG A 109 -10.322 3.244 -9.578 1.00 42.22 H new ATOM 0 HH21 ARG A 109 -10.600 5.076 -6.567 1.00 64.13 H new ATOM 0 HH22 ARG A 109 -11.271 4.799 -8.178 1.00 64.13 H new ATOM 1831 N ASP A 110 -9.890 2.749 -3.194 1.00 35.43 N ATOM 1832 CA ASP A 110 -10.151 4.148 -2.809 1.00 32.31 C ATOM 1833 C ASP A 110 -10.172 4.319 -1.282 1.00 11.12 C ATOM 1834 O ASP A 110 -9.551 5.242 -0.753 1.00 30.30 O ATOM 1835 CB ASP A 110 -11.485 4.638 -3.431 1.00 74.34 C ATOM 1836 CG ASP A 110 -11.821 6.099 -3.069 1.00 74.43 C ATOM 1837 OD1 ASP A 110 -11.280 7.019 -3.723 1.00 53.42 O ATOM 1838 OD2 ASP A 110 -12.610 6.336 -2.116 1.00 3.41 O ATOM 0 H ASP A 110 -10.641 2.331 -3.743 1.00 35.43 H new ATOM 0 HA ASP A 110 -9.336 4.759 -3.197 1.00 32.31 H new ATOM 0 HB2 ASP A 110 -11.430 4.542 -4.515 1.00 74.34 H new ATOM 0 HB3 ASP A 110 -12.295 3.991 -3.094 1.00 74.34 H new ATOM 1843 N LEU A 111 -10.855 3.387 -0.595 1.00 42.12 N ATOM 1844 CA LEU A 111 -11.046 3.432 0.866 1.00 35.01 C ATOM 1845 C LEU A 111 -9.729 3.164 1.630 1.00 3.44 C ATOM 1846 O LEU A 111 -9.422 3.865 2.593 1.00 14.23 O ATOM 1847 CB LEU A 111 -12.137 2.414 1.288 1.00 63.52 C ATOM 1848 CG LEU A 111 -12.607 2.480 2.775 1.00 2.12 C ATOM 1849 CD1 LEU A 111 -13.241 3.852 3.117 1.00 45.34 C ATOM 1850 CD2 LEU A 111 -13.571 1.314 3.096 1.00 23.44 C ATOM 0 H LEU A 111 -11.292 2.579 -1.038 1.00 42.12 H new ATOM 0 HA LEU A 111 -11.371 4.439 1.129 1.00 35.01 H new ATOM 0 HB2 LEU A 111 -13.007 2.560 0.648 1.00 63.52 H new ATOM 0 HB3 LEU A 111 -11.762 1.410 1.092 1.00 63.52 H new ATOM 0 HG LEU A 111 -11.726 2.373 3.407 1.00 2.12 H new ATOM 0 HD11 LEU A 111 -13.555 3.858 4.161 1.00 45.34 H new ATOM 0 HD12 LEU A 111 -12.508 4.642 2.954 1.00 45.34 H new ATOM 0 HD13 LEU A 111 -14.106 4.023 2.477 1.00 45.34 H new ATOM 0 HD21 LEU A 111 -13.886 1.379 4.137 1.00 23.44 H new ATOM 0 HD22 LEU A 111 -14.445 1.375 2.448 1.00 23.44 H new ATOM 0 HD23 LEU A 111 -13.062 0.365 2.930 1.00 23.44 H new ATOM 1862 N TRP A 112 -8.973 2.139 1.193 1.00 21.43 N ATOM 1863 CA TRP A 112 -7.667 1.788 1.794 1.00 34.11 C ATOM 1864 C TRP A 112 -6.629 2.913 1.631 1.00 63.50 C ATOM 1865 O TRP A 112 -6.039 3.344 2.626 1.00 20.11 O ATOM 1866 CB TRP A 112 -7.127 0.445 1.222 1.00 74.54 C ATOM 1867 CG TRP A 112 -7.685 -0.769 1.927 1.00 32.31 C ATOM 1868 CD1 TRP A 112 -8.796 -1.495 1.598 1.00 62.34 C ATOM 1869 CD2 TRP A 112 -7.150 -1.376 3.111 1.00 32.13 C ATOM 1870 NE1 TRP A 112 -8.987 -2.500 2.505 1.00 62.33 N ATOM 1871 CE2 TRP A 112 -7.987 -2.456 3.437 1.00 11.35 C ATOM 1872 CE3 TRP A 112 -6.039 -1.114 3.920 1.00 72.12 C ATOM 1873 CZ2 TRP A 112 -7.754 -3.267 4.542 1.00 74.12 C ATOM 1874 CZ3 TRP A 112 -5.811 -1.922 5.014 1.00 32.44 C ATOM 1875 CH2 TRP A 112 -6.662 -2.991 5.315 1.00 42.03 C ATOM 0 H TRP A 112 -9.246 1.533 0.419 1.00 21.43 H new ATOM 0 HA TRP A 112 -7.836 1.660 2.863 1.00 34.11 H new ATOM 0 HB2 TRP A 112 -7.371 0.385 0.161 1.00 74.54 H new ATOM 0 HB3 TRP A 112 -6.040 0.435 1.300 1.00 74.54 H new ATOM 0 HD1 TRP A 112 -9.430 -1.302 0.745 1.00 62.34 H new ATOM 0 HE1 TRP A 112 -9.752 -3.174 2.489 1.00 62.33 H new ATOM 0 HE3 TRP A 112 -5.373 -0.295 3.692 1.00 72.12 H new ATOM 0 HZ2 TRP A 112 -8.414 -4.088 4.781 1.00 74.12 H new ATOM 0 HZ3 TRP A 112 -4.960 -1.726 5.650 1.00 32.44 H new ATOM 0 HH2 TRP A 112 -6.452 -3.610 6.175 1.00 42.03 H new ATOM 1886 N VAL A 113 -6.433 3.401 0.386 1.00 12.41 N ATOM 1887 CA VAL A 113 -5.490 4.509 0.098 1.00 52.35 C ATOM 1888 C VAL A 113 -5.887 5.769 0.900 1.00 45.13 C ATOM 1889 O VAL A 113 -5.019 6.469 1.429 1.00 11.22 O ATOM 1890 CB VAL A 113 -5.416 4.845 -1.445 1.00 2.42 C ATOM 1891 CG1 VAL A 113 -4.472 6.038 -1.749 1.00 62.15 C ATOM 1892 CG2 VAL A 113 -4.984 3.606 -2.255 1.00 40.40 C ATOM 0 H VAL A 113 -6.916 3.045 -0.439 1.00 12.41 H new ATOM 0 HA VAL A 113 -4.498 4.180 0.406 1.00 52.35 H new ATOM 0 HB VAL A 113 -6.420 5.140 -1.749 1.00 2.42 H new ATOM 0 HG11 VAL A 113 -4.458 6.226 -2.822 1.00 62.15 H new ATOM 0 HG12 VAL A 113 -4.830 6.927 -1.229 1.00 62.15 H new ATOM 0 HG13 VAL A 113 -3.464 5.800 -1.409 1.00 62.15 H new ATOM 0 HG21 VAL A 113 -4.940 3.861 -3.314 1.00 40.40 H new ATOM 0 HG22 VAL A 113 -4.000 3.277 -1.920 1.00 40.40 H new ATOM 0 HG23 VAL A 113 -5.706 2.803 -2.105 1.00 40.40 H new ATOM 1902 N LYS A 114 -7.213 5.995 1.028 1.00 2.30 N ATOM 1903 CA LYS A 114 -7.775 7.105 1.811 1.00 53.45 C ATOM 1904 C LYS A 114 -7.356 7.009 3.287 1.00 3.23 C ATOM 1905 O LYS A 114 -6.649 7.884 3.766 1.00 52.11 O ATOM 1906 CB LYS A 114 -9.323 7.137 1.691 1.00 50.52 C ATOM 1907 CG LYS A 114 -10.003 8.332 2.391 1.00 13.13 C ATOM 1908 CD LYS A 114 -11.520 8.394 2.095 1.00 54.30 C ATOM 1909 CE LYS A 114 -12.181 9.647 2.682 1.00 12.43 C ATOM 1910 NZ LYS A 114 -13.608 9.769 2.277 1.00 1.21 N ATOM 0 H LYS A 114 -7.921 5.408 0.588 1.00 2.30 H new ATOM 0 HA LYS A 114 -7.376 8.034 1.403 1.00 53.45 H new ATOM 0 HB2 LYS A 114 -9.591 7.153 0.635 1.00 50.52 H new ATOM 0 HB3 LYS A 114 -9.725 6.213 2.108 1.00 50.52 H new ATOM 0 HG2 LYS A 114 -9.847 8.258 3.467 1.00 13.13 H new ATOM 0 HG3 LYS A 114 -9.532 9.259 2.064 1.00 13.13 H new ATOM 0 HD2 LYS A 114 -11.678 8.375 1.017 1.00 54.30 H new ATOM 0 HD3 LYS A 114 -12.003 7.507 2.504 1.00 54.30 H new ATOM 0 HE2 LYS A 114 -12.115 9.616 3.770 1.00 12.43 H new ATOM 0 HE3 LYS A 114 -11.635 10.532 2.355 1.00 12.43 H new ATOM 0 HZ1 LYS A 114 -14.015 10.629 2.696 1.00 1.21 H new ATOM 0 HZ2 LYS A 114 -13.671 9.825 1.240 1.00 1.21 H new ATOM 0 HZ3 LYS A 114 -14.136 8.938 2.611 1.00 1.21 H new ATOM 1924 N LYS A 115 -7.741 5.898 3.953 1.00 11.12 N ATOM 1925 CA LYS A 115 -7.507 5.686 5.403 1.00 32.03 C ATOM 1926 C LYS A 115 -6.015 5.735 5.772 1.00 63.14 C ATOM 1927 O LYS A 115 -5.642 6.355 6.774 1.00 1.21 O ATOM 1928 CB LYS A 115 -8.129 4.333 5.868 1.00 53.43 C ATOM 1929 CG LYS A 115 -9.671 4.294 5.834 1.00 75.25 C ATOM 1930 CD LYS A 115 -10.301 5.446 6.648 1.00 21.12 C ATOM 1931 CE LYS A 115 -11.829 5.370 6.722 1.00 50.34 C ATOM 1932 NZ LYS A 115 -12.386 6.495 7.518 1.00 71.20 N ATOM 0 H LYS A 115 -8.223 5.121 3.502 1.00 11.12 H new ATOM 0 HA LYS A 115 -7.998 6.508 5.924 1.00 32.03 H new ATOM 0 HB2 LYS A 115 -7.744 3.534 5.235 1.00 53.43 H new ATOM 0 HB3 LYS A 115 -7.795 4.124 6.884 1.00 53.43 H new ATOM 0 HG2 LYS A 115 -10.012 4.353 4.800 1.00 75.25 H new ATOM 0 HG3 LYS A 115 -10.018 3.339 6.230 1.00 75.25 H new ATOM 0 HD2 LYS A 115 -9.894 5.432 7.659 1.00 21.12 H new ATOM 0 HD3 LYS A 115 -10.013 6.397 6.201 1.00 21.12 H new ATOM 0 HE2 LYS A 115 -12.246 5.392 5.715 1.00 50.34 H new ATOM 0 HE3 LYS A 115 -12.127 4.422 7.170 1.00 50.34 H new ATOM 0 HZ1 LYS A 115 -13.423 6.417 7.551 1.00 71.20 H new ATOM 0 HZ2 LYS A 115 -12.005 6.458 8.485 1.00 71.20 H new ATOM 0 HZ3 LYS A 115 -12.120 7.398 7.076 1.00 71.20 H new ATOM 1946 N LEU A 116 -5.185 5.096 4.933 1.00 11.30 N ATOM 1947 CA LEU A 116 -3.720 5.081 5.087 1.00 14.23 C ATOM 1948 C LEU A 116 -3.146 6.522 5.051 1.00 24.10 C ATOM 1949 O LEU A 116 -2.446 6.933 5.986 1.00 3.20 O ATOM 1950 CB LEU A 116 -3.084 4.171 3.993 1.00 51.24 C ATOM 1951 CG LEU A 116 -3.260 2.622 4.201 1.00 13.03 C ATOM 1952 CD1 LEU A 116 -2.965 1.827 2.906 1.00 55.20 C ATOM 1953 CD2 LEU A 116 -2.366 2.120 5.357 1.00 55.03 C ATOM 0 H LEU A 116 -5.513 4.571 4.122 1.00 11.30 H new ATOM 0 HA LEU A 116 -3.466 4.664 6.061 1.00 14.23 H new ATOM 0 HB2 LEU A 116 -3.515 4.440 3.029 1.00 51.24 H new ATOM 0 HB3 LEU A 116 -2.018 4.392 3.939 1.00 51.24 H new ATOM 0 HG LEU A 116 -4.304 2.449 4.463 1.00 13.03 H new ATOM 0 HD11 LEU A 116 -3.099 0.762 3.095 1.00 55.20 H new ATOM 0 HD12 LEU A 116 -3.650 2.145 2.120 1.00 55.20 H new ATOM 0 HD13 LEU A 116 -1.939 2.014 2.590 1.00 55.20 H new ATOM 0 HD21 LEU A 116 -2.504 1.046 5.483 1.00 55.03 H new ATOM 0 HD22 LEU A 116 -1.321 2.327 5.125 1.00 55.03 H new ATOM 0 HD23 LEU A 116 -2.642 2.632 6.279 1.00 55.03 H new ATOM 1965 N LYS A 117 -3.494 7.290 3.991 1.00 21.53 N ATOM 1966 CA LYS A 117 -3.111 8.718 3.861 1.00 1.42 C ATOM 1967 C LYS A 117 -3.635 9.590 5.027 1.00 71.21 C ATOM 1968 O LYS A 117 -2.887 10.419 5.544 1.00 22.02 O ATOM 1969 CB LYS A 117 -3.568 9.311 2.495 1.00 44.04 C ATOM 1970 CG LYS A 117 -2.815 8.742 1.265 1.00 43.23 C ATOM 1971 CD LYS A 117 -3.280 9.384 -0.069 1.00 41.43 C ATOM 1972 CE LYS A 117 -2.973 10.895 -0.145 1.00 32.44 C ATOM 1973 NZ LYS A 117 -3.482 11.512 -1.400 1.00 54.54 N ATOM 0 H LYS A 117 -4.044 6.941 3.206 1.00 21.53 H new ATOM 0 HA LYS A 117 -2.022 8.740 3.905 1.00 1.42 H new ATOM 0 HB2 LYS A 117 -4.635 9.125 2.371 1.00 44.04 H new ATOM 0 HB3 LYS A 117 -3.434 10.392 2.519 1.00 44.04 H new ATOM 0 HG2 LYS A 117 -1.745 8.908 1.390 1.00 43.23 H new ATOM 0 HG3 LYS A 117 -2.967 7.664 1.217 1.00 43.23 H new ATOM 0 HD2 LYS A 117 -2.792 8.876 -0.901 1.00 41.43 H new ATOM 0 HD3 LYS A 117 -4.353 9.229 -0.187 1.00 41.43 H new ATOM 0 HE2 LYS A 117 -3.421 11.398 0.712 1.00 32.44 H new ATOM 0 HE3 LYS A 117 -1.896 11.049 -0.078 1.00 32.44 H new ATOM 0 HZ1 LYS A 117 -2.739 12.106 -1.821 1.00 54.54 H new ATOM 0 HZ2 LYS A 117 -3.748 10.764 -2.072 1.00 54.54 H new ATOM 0 HZ3 LYS A 117 -4.315 12.097 -1.186 1.00 54.54 H new ATOM 1987 N GLU A 118 -4.899 9.369 5.451 1.00 5.33 N ATOM 1988 CA GLU A 118 -5.544 10.141 6.544 1.00 53.41 C ATOM 1989 C GLU A 118 -4.764 10.072 7.865 1.00 1.15 C ATOM 1990 O GLU A 118 -4.815 11.014 8.678 1.00 24.32 O ATOM 1991 CB GLU A 118 -7.013 9.674 6.778 1.00 64.32 C ATOM 1992 CG GLU A 118 -7.992 10.024 5.642 1.00 33.23 C ATOM 1993 CD GLU A 118 -8.039 11.534 5.319 1.00 54.33 C ATOM 1994 OE1 GLU A 118 -8.746 12.284 6.030 1.00 54.55 O ATOM 1995 OE2 GLU A 118 -7.385 11.972 4.342 1.00 51.23 O ATOM 0 H GLU A 118 -5.503 8.652 5.048 1.00 5.33 H new ATOM 0 HA GLU A 118 -5.544 11.180 6.214 1.00 53.41 H new ATOM 0 HB2 GLU A 118 -7.017 8.594 6.922 1.00 64.32 H new ATOM 0 HB3 GLU A 118 -7.378 10.120 7.703 1.00 64.32 H new ATOM 0 HG2 GLU A 118 -7.706 9.476 4.744 1.00 33.23 H new ATOM 0 HG3 GLU A 118 -8.992 9.687 5.917 1.00 33.23 H new ATOM 2002 N GLU A 119 -4.061 8.960 8.088 1.00 72.21 N ATOM 2003 CA GLU A 119 -3.225 8.798 9.281 1.00 13.14 C ATOM 2004 C GLU A 119 -1.832 9.399 9.041 1.00 51.14 C ATOM 2005 O GLU A 119 -1.408 10.301 9.778 1.00 32.42 O ATOM 2006 CB GLU A 119 -3.126 7.303 9.688 1.00 34.12 C ATOM 2007 CG GLU A 119 -4.484 6.562 9.755 1.00 34.15 C ATOM 2008 CD GLU A 119 -5.634 7.373 10.401 1.00 1.53 C ATOM 2009 OE1 GLU A 119 -5.543 7.712 11.606 1.00 25.30 O ATOM 2010 OE2 GLU A 119 -6.641 7.668 9.710 1.00 1.13 O ATOM 0 H GLU A 119 -4.053 8.158 7.458 1.00 72.21 H new ATOM 0 HA GLU A 119 -3.692 9.336 10.106 1.00 13.14 H new ATOM 0 HB2 GLU A 119 -2.481 6.788 8.976 1.00 34.12 H new ATOM 0 HB3 GLU A 119 -2.642 7.237 10.663 1.00 34.12 H new ATOM 0 HG2 GLU A 119 -4.779 6.281 8.744 1.00 34.15 H new ATOM 0 HG3 GLU A 119 -4.350 5.637 10.316 1.00 34.15 H new ATOM 2017 N ILE A 120 -1.163 8.966 7.952 1.00 11.25 N ATOM 2018 CA ILE A 120 0.265 9.282 7.707 1.00 55.41 C ATOM 2019 C ILE A 120 0.488 10.759 7.324 1.00 34.34 C ATOM 2020 O ILE A 120 1.615 11.249 7.390 1.00 13.24 O ATOM 2021 CB ILE A 120 0.891 8.335 6.613 1.00 22.40 C ATOM 2022 CG1 ILE A 120 0.337 8.649 5.179 1.00 24.44 C ATOM 2023 CG2 ILE A 120 0.645 6.857 6.988 1.00 21.54 C ATOM 2024 CD1 ILE A 120 0.937 7.816 4.051 1.00 12.24 C ATOM 0 H ILE A 120 -1.589 8.393 7.223 1.00 11.25 H new ATOM 0 HA ILE A 120 0.778 9.107 8.653 1.00 55.41 H new ATOM 0 HB ILE A 120 1.965 8.519 6.586 1.00 22.40 H new ATOM 0 HG12 ILE A 120 -0.743 8.500 5.184 1.00 24.44 H new ATOM 0 HG13 ILE A 120 0.512 9.703 4.963 1.00 24.44 H new ATOM 0 HG21 ILE A 120 1.081 6.211 6.226 1.00 21.54 H new ATOM 0 HG22 ILE A 120 1.107 6.644 7.952 1.00 21.54 H new ATOM 0 HG23 ILE A 120 -0.427 6.671 7.051 1.00 21.54 H new ATOM 0 HD11 ILE A 120 0.487 8.110 3.103 1.00 12.24 H new ATOM 0 HD12 ILE A 120 2.014 7.982 4.009 1.00 12.24 H new ATOM 0 HD13 ILE A 120 0.739 6.760 4.234 1.00 12.24 H new ATOM 2036 N LYS A 121 -0.599 11.474 6.979 1.00 40.44 N ATOM 2037 CA LYS A 121 -0.544 12.909 6.608 1.00 64.11 C ATOM 2038 C LYS A 121 -0.152 13.789 7.811 1.00 71.02 C ATOM 2039 O LYS A 121 0.260 14.942 7.647 1.00 1.23 O ATOM 2040 CB LYS A 121 -1.910 13.377 6.036 1.00 42.30 C ATOM 2041 CG LYS A 121 -3.065 13.386 7.059 1.00 11.14 C ATOM 2042 CD LYS A 121 -4.408 13.860 6.460 1.00 3.15 C ATOM 2043 CE LYS A 121 -5.496 14.017 7.535 1.00 45.23 C ATOM 2044 NZ LYS A 121 -5.083 14.967 8.608 1.00 15.02 N ATOM 0 H LYS A 121 -1.539 11.079 6.948 1.00 40.44 H new ATOM 0 HA LYS A 121 0.223 13.019 5.841 1.00 64.11 H new ATOM 0 HB2 LYS A 121 -1.794 14.382 5.630 1.00 42.30 H new ATOM 0 HB3 LYS A 121 -2.183 12.727 5.205 1.00 42.30 H new ATOM 0 HG2 LYS A 121 -3.190 12.382 7.464 1.00 11.14 H new ATOM 0 HG3 LYS A 121 -2.798 14.035 7.893 1.00 11.14 H new ATOM 0 HD2 LYS A 121 -4.262 14.813 5.951 1.00 3.15 H new ATOM 0 HD3 LYS A 121 -4.742 13.145 5.708 1.00 3.15 H new ATOM 0 HE2 LYS A 121 -6.417 14.371 7.071 1.00 45.23 H new ATOM 0 HE3 LYS A 121 -5.715 13.044 7.975 1.00 45.23 H new ATOM 0 HZ1 LYS A 121 -5.894 15.163 9.229 1.00 15.02 H new ATOM 0 HZ2 LYS A 121 -4.313 14.546 9.167 1.00 15.02 H new ATOM 0 HZ3 LYS A 121 -4.753 15.855 8.178 1.00 15.02 H new ATOM 2058 N ASN A 122 -0.313 13.220 9.011 1.00 74.20 N ATOM 2059 CA ASN A 122 -0.010 13.876 10.290 1.00 53.52 C ATOM 2060 C ASN A 122 1.446 13.595 10.727 1.00 33.24 C ATOM 2061 O ASN A 122 1.944 14.225 11.664 1.00 14.24 O ATOM 2062 CB ASN A 122 -1.025 13.371 11.346 1.00 41.35 C ATOM 2063 CG ASN A 122 -2.489 13.657 10.954 1.00 54.03 C ATOM 2064 OD1 ASN A 122 -2.799 14.700 10.375 1.00 24.41 O ATOM 2065 ND2 ASN A 122 -3.382 12.717 11.215 1.00 34.30 N ATOM 0 H ASN A 122 -0.665 12.269 9.123 1.00 74.20 H new ATOM 0 HA ASN A 122 -0.101 14.957 10.184 1.00 53.52 H new ATOM 0 HB2 ASN A 122 -0.894 12.298 11.485 1.00 41.35 H new ATOM 0 HB3 ASN A 122 -0.811 13.845 12.304 1.00 41.35 H new ATOM 0 HD21 ASN A 122 -4.355 12.846 10.936 1.00 34.30 H new ATOM 0 HD22 ASN A 122 -3.098 11.863 11.696 1.00 34.30 H new ATOM 2072 N ASN A 123 2.116 12.650 10.040 1.00 64.13 N ATOM 2073 CA ASN A 123 3.527 12.284 10.304 1.00 43.12 C ATOM 2074 C ASN A 123 4.487 13.200 9.517 1.00 65.21 C ATOM 2075 O ASN A 123 4.089 13.823 8.526 1.00 64.20 O ATOM 2076 CB ASN A 123 3.780 10.802 9.914 1.00 44.23 C ATOM 2077 CG ASN A 123 2.974 9.798 10.737 1.00 44.12 C ATOM 2078 OD1 ASN A 123 2.590 8.692 10.115 1.00 55.12 O flip ATOM 2079 ND2 ASN A 123 2.702 10.012 11.918 1.00 52.03 N flip ATOM 0 H ASN A 123 1.694 12.114 9.281 1.00 64.13 H new ATOM 0 HA ASN A 123 3.717 12.413 11.370 1.00 43.12 H new ATOM 0 HB2 ASN A 123 3.540 10.668 8.859 1.00 44.23 H new ATOM 0 HB3 ASN A 123 4.841 10.582 10.029 1.00 44.23 H new ATOM 0 HD21 ASN A 123 3.014 10.874 12.365 1.00 52.03 H new ATOM 0 HD22 ASN A 123 2.165 9.327 12.450 1.00 52.03 H new ATOM 2086 N ASN A 124 5.757 13.253 9.959 1.00 72.22 N ATOM 2087 CA ASN A 124 6.810 14.100 9.346 1.00 45.40 C ATOM 2088 C ASN A 124 7.777 13.263 8.484 1.00 60.21 C ATOM 2089 O ASN A 124 8.829 13.761 8.067 1.00 41.21 O ATOM 2090 CB ASN A 124 7.594 14.863 10.458 1.00 73.12 C ATOM 2091 CG ASN A 124 6.737 15.869 11.241 1.00 75.01 C ATOM 2092 OD1 ASN A 124 5.801 16.463 10.704 1.00 35.11 O ATOM 2093 ND2 ASN A 124 7.045 16.068 12.515 1.00 52.24 N ATOM 0 H ASN A 124 6.088 12.709 10.755 1.00 72.22 H new ATOM 0 HA ASN A 124 6.324 14.822 8.690 1.00 45.40 H new ATOM 0 HB2 ASN A 124 8.015 14.138 11.155 1.00 73.12 H new ATOM 0 HB3 ASN A 124 8.432 15.391 10.002 1.00 73.12 H new ATOM 0 HD21 ASN A 124 6.502 16.726 13.074 1.00 52.24 H new ATOM 0 HD22 ASN A 124 7.825 15.563 12.936 1.00 52.24 H new ATOM 2100 N ASN A 125 7.398 12.006 8.189 1.00 22.20 N ATOM 2101 CA ASN A 125 8.233 11.056 7.415 1.00 72.51 C ATOM 2102 C ASN A 125 7.829 11.030 5.929 1.00 11.41 C ATOM 2103 O ASN A 125 8.344 10.215 5.158 1.00 14.32 O ATOM 2104 CB ASN A 125 8.102 9.627 8.010 1.00 75.51 C ATOM 2105 CG ASN A 125 6.713 8.993 7.791 1.00 73.04 C ATOM 2106 OD1 ASN A 125 5.691 9.676 7.738 1.00 20.21 O ATOM 2107 ND2 ASN A 125 6.667 7.688 7.654 1.00 10.01 N ATOM 0 H ASN A 125 6.502 11.615 8.480 1.00 22.20 H new ATOM 0 HA ASN A 125 9.267 11.393 7.483 1.00 72.51 H new ATOM 0 HB2 ASN A 125 8.860 8.985 7.562 1.00 75.51 H new ATOM 0 HB3 ASN A 125 8.310 9.667 9.079 1.00 75.51 H new ATOM 0 HD21 ASN A 125 5.772 7.223 7.500 1.00 10.01 H new ATOM 0 HD22 ASN A 125 7.526 7.140 7.701 1.00 10.01 H new ATOM 2114 N ILE A 126 6.930 11.943 5.534 1.00 44.22 N ATOM 2115 CA ILE A 126 6.280 11.885 4.222 1.00 23.13 C ATOM 2116 C ILE A 126 7.255 12.338 3.135 1.00 55.15 C ATOM 2117 O ILE A 126 7.656 13.513 3.079 1.00 13.32 O ATOM 2118 CB ILE A 126 4.950 12.727 4.177 1.00 13.44 C ATOM 2119 CG1 ILE A 126 3.904 12.133 5.176 1.00 61.30 C ATOM 2120 CG2 ILE A 126 4.363 12.803 2.738 1.00 34.32 C ATOM 2121 CD1 ILE A 126 3.533 10.676 4.910 1.00 75.03 C ATOM 0 H ILE A 126 6.637 12.733 6.109 1.00 44.22 H new ATOM 0 HA ILE A 126 5.998 10.849 4.037 1.00 23.13 H new ATOM 0 HB ILE A 126 5.188 13.747 4.480 1.00 13.44 H new ATOM 0 HG12 ILE A 126 4.299 12.215 6.188 1.00 61.30 H new ATOM 0 HG13 ILE A 126 2.998 12.738 5.137 1.00 61.30 H new ATOM 0 HG21 ILE A 126 3.446 13.392 2.750 1.00 34.32 H new ATOM 0 HG22 ILE A 126 5.088 13.273 2.074 1.00 34.32 H new ATOM 0 HG23 ILE A 126 4.143 11.797 2.381 1.00 34.32 H new ATOM 0 HD11 ILE A 126 2.803 10.346 5.649 1.00 75.03 H new ATOM 0 HD12 ILE A 126 3.105 10.586 3.912 1.00 75.03 H new ATOM 0 HD13 ILE A 126 4.426 10.055 4.979 1.00 75.03 H new ATOM 2133 N MET A 127 7.646 11.371 2.294 1.00 14.22 N ATOM 2134 CA MET A 127 8.464 11.617 1.114 1.00 65.14 C ATOM 2135 C MET A 127 7.556 12.269 0.054 1.00 10.31 C ATOM 2136 O MET A 127 6.530 11.699 -0.336 1.00 11.12 O ATOM 2137 CB MET A 127 9.132 10.290 0.619 1.00 34.12 C ATOM 2138 CG MET A 127 8.165 9.118 0.378 1.00 35.25 C ATOM 2139 SD MET A 127 8.988 7.528 0.112 1.00 3.21 S ATOM 2140 CE MET A 127 9.866 7.784 -1.431 1.00 13.50 C ATOM 0 H MET A 127 7.398 10.390 2.421 1.00 14.22 H new ATOM 0 HA MET A 127 9.290 12.293 1.335 1.00 65.14 H new ATOM 0 HB2 MET A 127 9.666 10.495 -0.309 1.00 34.12 H new ATOM 0 HB3 MET A 127 9.876 9.981 1.353 1.00 34.12 H new ATOM 0 HG2 MET A 127 7.496 9.030 1.234 1.00 35.25 H new ATOM 0 HG3 MET A 127 7.545 9.344 -0.489 1.00 35.25 H new ATOM 0 HE1 MET A 127 10.518 6.932 -1.624 1.00 13.50 H new ATOM 0 HE2 MET A 127 9.149 7.884 -2.246 1.00 13.50 H new ATOM 0 HE3 MET A 127 10.465 8.692 -1.362 1.00 13.50 H new ATOM 2150 N ILE A 128 7.930 13.492 -0.361 1.00 12.11 N ATOM 2151 CA ILE A 128 7.120 14.354 -1.263 1.00 13.24 C ATOM 2152 C ILE A 128 6.933 13.696 -2.653 1.00 11.14 C ATOM 2153 O ILE A 128 6.061 14.094 -3.427 1.00 44.01 O ATOM 2154 CB ILE A 128 7.801 15.776 -1.426 1.00 41.43 C ATOM 2155 CG1 ILE A 128 8.147 16.387 -0.031 1.00 63.12 C ATOM 2156 CG2 ILE A 128 6.922 16.769 -2.248 1.00 14.23 C ATOM 2157 CD1 ILE A 128 8.959 17.671 -0.074 1.00 32.14 C ATOM 0 H ILE A 128 8.812 13.922 -0.081 1.00 12.11 H new ATOM 0 HA ILE A 128 6.137 14.477 -0.809 1.00 13.24 H new ATOM 0 HB ILE A 128 8.723 15.620 -1.987 1.00 41.43 H new ATOM 0 HG12 ILE A 128 7.217 16.581 0.504 1.00 63.12 H new ATOM 0 HG13 ILE A 128 8.699 15.645 0.547 1.00 63.12 H new ATOM 0 HG21 ILE A 128 7.435 17.727 -2.330 1.00 14.23 H new ATOM 0 HG22 ILE A 128 6.750 16.363 -3.245 1.00 14.23 H new ATOM 0 HG23 ILE A 128 5.966 16.911 -1.744 1.00 14.23 H new ATOM 0 HD11 ILE A 128 9.148 18.016 0.942 1.00 32.14 H new ATOM 0 HD12 ILE A 128 9.908 17.485 -0.576 1.00 32.14 H new ATOM 0 HD13 ILE A 128 8.404 18.434 -0.619 1.00 32.14 H new ATOM 2169 N LYS A 129 7.773 12.688 -2.955 1.00 74.24 N ATOM 2170 CA LYS A 129 7.806 11.975 -4.250 1.00 54.03 C ATOM 2171 C LYS A 129 7.679 10.448 -4.009 1.00 22.24 C ATOM 2172 O LYS A 129 7.957 9.958 -2.912 1.00 0.02 O ATOM 2173 CB LYS A 129 9.134 12.284 -5.033 1.00 51.34 C ATOM 2174 CG LYS A 129 9.186 13.609 -5.836 1.00 54.03 C ATOM 2175 CD LYS A 129 9.090 14.877 -4.963 1.00 21.41 C ATOM 2176 CE LYS A 129 9.345 16.169 -5.749 1.00 4.02 C ATOM 2177 NZ LYS A 129 10.748 16.251 -6.230 1.00 12.41 N ATOM 0 H LYS A 129 8.464 12.337 -2.292 1.00 74.24 H new ATOM 0 HA LYS A 129 6.967 12.321 -4.854 1.00 54.03 H new ATOM 0 HB2 LYS A 129 9.956 12.289 -4.317 1.00 51.34 H new ATOM 0 HB3 LYS A 129 9.319 11.462 -5.724 1.00 51.34 H new ATOM 0 HG2 LYS A 129 10.116 13.641 -6.404 1.00 54.03 H new ATOM 0 HG3 LYS A 129 8.370 13.616 -6.559 1.00 54.03 H new ATOM 0 HD2 LYS A 129 8.100 14.924 -4.509 1.00 21.41 H new ATOM 0 HD3 LYS A 129 9.811 14.806 -4.149 1.00 21.41 H new ATOM 0 HE2 LYS A 129 8.665 16.218 -6.600 1.00 4.02 H new ATOM 0 HE3 LYS A 129 9.126 17.029 -5.116 1.00 4.02 H new ATOM 0 HZ1 LYS A 129 10.941 17.213 -6.575 1.00 12.41 H new ATOM 0 HZ2 LYS A 129 11.397 16.027 -5.448 1.00 12.41 H new ATOM 0 HZ3 LYS A 129 10.890 15.571 -7.004 1.00 12.41 H new ATOM 2191 N TYR A 130 7.235 9.722 -5.051 1.00 44.13 N ATOM 2192 CA TYR A 130 7.191 8.243 -5.080 1.00 2.42 C ATOM 2193 C TYR A 130 7.477 7.759 -6.524 1.00 61.24 C ATOM 2194 O TYR A 130 7.627 8.579 -7.434 1.00 24.01 O ATOM 2195 CB TYR A 130 5.813 7.718 -4.562 1.00 2.53 C ATOM 2196 CG TYR A 130 4.663 7.716 -5.591 1.00 35.14 C ATOM 2197 CD1 TYR A 130 4.147 8.900 -6.141 1.00 54.14 C ATOM 2198 CD2 TYR A 130 4.081 6.513 -6.006 1.00 25.33 C ATOM 2199 CE1 TYR A 130 3.121 8.864 -7.074 1.00 11.33 C ATOM 2200 CE2 TYR A 130 3.065 6.482 -6.932 1.00 44.42 C ATOM 2201 CZ TYR A 130 2.583 7.653 -7.456 1.00 73.11 C ATOM 2202 OH TYR A 130 1.564 7.606 -8.374 1.00 63.25 O ATOM 0 H TYR A 130 6.891 10.150 -5.911 1.00 44.13 H new ATOM 0 HA TYR A 130 7.955 7.841 -4.415 1.00 2.42 H new ATOM 0 HB2 TYR A 130 5.948 6.701 -4.195 1.00 2.53 H new ATOM 0 HB3 TYR A 130 5.511 8.327 -3.710 1.00 2.53 H new ATOM 0 HD1 TYR A 130 4.554 9.852 -5.834 1.00 54.14 H new ATOM 0 HD2 TYR A 130 4.439 5.584 -5.588 1.00 25.33 H new ATOM 0 HE1 TYR A 130 2.744 9.782 -7.500 1.00 11.33 H new ATOM 0 HE2 TYR A 130 2.648 5.537 -7.246 1.00 44.42 H new ATOM 0 HH TYR A 130 0.707 7.745 -7.919 1.00 63.25 H new ATOM 2212 N HIS A 131 7.568 6.433 -6.723 1.00 35.23 N ATOM 2213 CA HIS A 131 7.764 5.831 -8.064 1.00 0.41 C ATOM 2214 C HIS A 131 6.441 5.179 -8.514 1.00 40.05 C ATOM 2215 O HIS A 131 5.862 4.406 -7.749 1.00 13.24 O ATOM 2216 CB HIS A 131 8.896 4.777 -8.041 1.00 63.24 C ATOM 2217 CG HIS A 131 10.238 5.306 -7.585 1.00 2.11 C ATOM 2218 ND1 HIS A 131 11.300 5.412 -8.442 1.00 45.54 N ATOM 2219 CD2 HIS A 131 10.636 5.701 -6.349 1.00 72.13 C ATOM 2220 CE1 HIS A 131 12.310 5.861 -7.724 1.00 32.04 C ATOM 2221 NE2 HIS A 131 11.956 6.051 -6.446 1.00 13.34 N ATOM 0 H HIS A 131 7.509 5.748 -5.969 1.00 35.23 H new ATOM 0 HA HIS A 131 8.053 6.613 -8.766 1.00 0.41 H new ATOM 0 HB2 HIS A 131 8.600 3.959 -7.384 1.00 63.24 H new ATOM 0 HB3 HIS A 131 9.006 4.359 -9.041 1.00 63.24 H new ATOM 0 HD1 HIS A 131 11.308 5.188 -9.437 1.00 45.54 H new ATOM 0 HD2 HIS A 131 10.027 5.733 -5.458 1.00 72.13 H new ATOM 0 HE1 HIS A 131 13.298 6.052 -8.116 1.00 32.04 H new ATOM 2229 N PRO A 132 5.943 5.459 -9.761 1.00 51.20 N ATOM 2230 CA PRO A 132 4.597 5.027 -10.213 1.00 52.23 C ATOM 2231 C PRO A 132 4.545 3.565 -10.695 1.00 63.04 C ATOM 2232 O PRO A 132 3.475 3.089 -11.071 1.00 5.51 O ATOM 2233 CB PRO A 132 4.333 5.999 -11.379 1.00 21.04 C ATOM 2234 CG PRO A 132 5.676 6.185 -12.001 1.00 43.12 C ATOM 2235 CD PRO A 132 6.656 6.200 -10.841 1.00 63.12 C ATOM 0 HA PRO A 132 3.860 5.056 -9.410 1.00 52.23 H new ATOM 0 HB2 PRO A 132 3.617 5.586 -12.090 1.00 21.04 H new ATOM 0 HB3 PRO A 132 3.922 6.945 -11.026 1.00 21.04 H new ATOM 0 HG2 PRO A 132 5.902 5.377 -12.697 1.00 43.12 H new ATOM 0 HG3 PRO A 132 5.722 7.115 -12.567 1.00 43.12 H new ATOM 0 HD2 PRO A 132 7.596 5.715 -11.105 1.00 63.12 H new ATOM 0 HD3 PRO A 132 6.898 7.218 -10.535 1.00 63.12 H new ATOM 2243 N LYS A 133 5.703 2.879 -10.716 1.00 54.15 N ATOM 2244 CA LYS A 133 5.820 1.482 -11.186 1.00 45.32 C ATOM 2245 C LYS A 133 6.326 0.566 -10.050 1.00 4.01 C ATOM 2246 O LYS A 133 6.546 1.023 -8.923 1.00 64.21 O ATOM 2247 CB LYS A 133 6.744 1.411 -12.438 1.00 42.02 C ATOM 2248 CG LYS A 133 6.247 2.201 -13.674 1.00 14.11 C ATOM 2249 CD LYS A 133 4.869 1.713 -14.173 1.00 61.54 C ATOM 2250 CE LYS A 133 4.353 2.512 -15.383 1.00 23.34 C ATOM 2251 NZ LYS A 133 5.146 2.266 -16.609 1.00 65.23 N ATOM 0 H LYS A 133 6.589 3.278 -10.406 1.00 54.15 H new ATOM 0 HA LYS A 133 4.833 1.123 -11.479 1.00 45.32 H new ATOM 0 HB2 LYS A 133 7.731 1.783 -12.162 1.00 42.02 H new ATOM 0 HB3 LYS A 133 6.865 0.365 -12.721 1.00 42.02 H new ATOM 0 HG2 LYS A 133 6.185 3.260 -13.423 1.00 14.11 H new ATOM 0 HG3 LYS A 133 6.976 2.106 -14.479 1.00 14.11 H new ATOM 0 HD2 LYS A 133 4.938 0.659 -14.443 1.00 61.54 H new ATOM 0 HD3 LYS A 133 4.147 1.787 -13.360 1.00 61.54 H new ATOM 0 HE2 LYS A 133 3.312 2.249 -15.570 1.00 23.34 H new ATOM 0 HE3 LYS A 133 4.376 3.576 -15.147 1.00 23.34 H new ATOM 0 HZ1 LYS A 133 4.757 2.828 -17.393 1.00 65.23 H new ATOM 0 HZ2 LYS A 133 6.135 2.541 -16.444 1.00 65.23 H new ATOM 0 HZ3 LYS A 133 5.104 1.256 -16.853 1.00 65.23 H new ATOM 2265 N PHE A 134 6.518 -0.729 -10.371 1.00 11.01 N ATOM 2266 CA PHE A 134 6.779 -1.781 -9.373 1.00 42.42 C ATOM 2267 C PHE A 134 8.279 -1.889 -9.002 1.00 71.14 C ATOM 2268 O PHE A 134 9.148 -2.029 -9.874 1.00 14.05 O ATOM 2269 CB PHE A 134 6.259 -3.144 -9.902 1.00 14.52 C ATOM 2270 CG PHE A 134 4.742 -3.200 -10.091 1.00 42.24 C ATOM 2271 CD1 PHE A 134 3.901 -3.370 -8.993 1.00 30.23 C ATOM 2272 CD2 PHE A 134 4.159 -3.099 -11.355 1.00 61.24 C ATOM 2273 CE1 PHE A 134 2.531 -3.421 -9.143 1.00 4.31 C ATOM 2274 CE2 PHE A 134 2.784 -3.151 -11.509 1.00 4.12 C ATOM 2275 CZ PHE A 134 1.970 -3.322 -10.402 1.00 24.22 C ATOM 0 H PHE A 134 6.496 -1.073 -11.331 1.00 11.01 H new ATOM 0 HA PHE A 134 6.246 -1.507 -8.463 1.00 42.42 H new ATOM 0 HB2 PHE A 134 6.742 -3.360 -10.855 1.00 14.52 H new ATOM 0 HB3 PHE A 134 6.558 -3.929 -9.208 1.00 14.52 H new ATOM 0 HD1 PHE A 134 4.330 -3.464 -8.006 1.00 30.23 H new ATOM 0 HD2 PHE A 134 4.789 -2.979 -12.224 1.00 61.24 H new ATOM 0 HE1 PHE A 134 1.897 -3.538 -8.277 1.00 4.31 H new ATOM 0 HE2 PHE A 134 2.347 -3.058 -12.492 1.00 4.12 H new ATOM 0 HZ PHE A 134 0.898 -3.378 -10.522 1.00 24.22 H new ATOM 2285 N TRP A 135 8.549 -1.786 -7.692 1.00 4.41 N ATOM 2286 CA TRP A 135 9.836 -2.113 -7.067 1.00 71.54 C ATOM 2287 C TRP A 135 9.967 -3.632 -6.940 1.00 64.24 C ATOM 2288 O TRP A 135 9.369 -4.256 -6.047 1.00 73.12 O ATOM 2289 CB TRP A 135 9.944 -1.430 -5.675 1.00 10.34 C ATOM 2290 CG TRP A 135 10.304 0.033 -5.752 1.00 11.13 C ATOM 2291 CD1 TRP A 135 9.563 1.054 -6.278 1.00 62.33 C ATOM 2292 CD2 TRP A 135 11.517 0.622 -5.296 1.00 42.32 C ATOM 2293 NE1 TRP A 135 10.259 2.226 -6.187 1.00 61.01 N ATOM 2294 CE2 TRP A 135 11.454 1.992 -5.582 1.00 62.30 C ATOM 2295 CE3 TRP A 135 12.657 0.113 -4.672 1.00 14.51 C ATOM 2296 CZ2 TRP A 135 12.484 2.866 -5.264 1.00 51.00 C ATOM 2297 CZ3 TRP A 135 13.677 0.982 -4.357 1.00 21.20 C ATOM 2298 CH2 TRP A 135 13.579 2.345 -4.658 1.00 24.13 C ATOM 0 H TRP A 135 7.855 -1.462 -7.019 1.00 4.41 H new ATOM 0 HA TRP A 135 10.649 -1.740 -7.690 1.00 71.54 H new ATOM 0 HB2 TRP A 135 8.994 -1.536 -5.152 1.00 10.34 H new ATOM 0 HB3 TRP A 135 10.695 -1.951 -5.080 1.00 10.34 H new ATOM 0 HD1 TRP A 135 8.575 0.950 -6.702 1.00 62.33 H new ATOM 0 HE1 TRP A 135 9.934 3.133 -6.520 1.00 61.01 H new ATOM 0 HE3 TRP A 135 12.737 -0.939 -4.441 1.00 14.51 H new ATOM 0 HZ2 TRP A 135 12.416 3.920 -5.490 1.00 51.00 H new ATOM 0 HZ3 TRP A 135 14.565 0.607 -3.871 1.00 21.20 H new ATOM 0 HH2 TRP A 135 14.398 3.000 -4.400 1.00 24.13 H new ATOM 2309 N THR A 136 10.719 -4.217 -7.868 1.00 50.23 N ATOM 2310 CA THR A 136 10.917 -5.659 -7.975 1.00 53.15 C ATOM 2311 C THR A 136 12.305 -5.909 -8.589 1.00 62.02 C ATOM 2312 O THR A 136 12.708 -5.188 -9.520 1.00 62.34 O ATOM 2313 CB THR A 136 9.777 -6.310 -8.848 1.00 10.31 C ATOM 2314 OG1 THR A 136 8.502 -6.222 -8.169 1.00 1.53 O ATOM 2315 CG2 THR A 136 10.065 -7.777 -9.203 1.00 25.21 C ATOM 0 H THR A 136 11.219 -3.689 -8.583 1.00 50.23 H new ATOM 0 HA THR A 136 10.868 -6.121 -6.989 1.00 53.15 H new ATOM 0 HB THR A 136 9.742 -5.744 -9.779 1.00 10.31 H new ATOM 0 HG1 THR A 136 8.222 -7.116 -7.882 1.00 1.53 H new ATOM 0 HG21 THR A 136 9.247 -8.173 -9.804 1.00 25.21 H new ATOM 0 HG22 THR A 136 10.994 -7.839 -9.769 1.00 25.21 H new ATOM 0 HG23 THR A 136 10.158 -8.361 -8.288 1.00 25.21 H new ATOM 2323 N ASP A 137 13.037 -6.901 -8.043 1.00 1.41 N ATOM 2324 CA ASP A 137 14.366 -7.306 -8.538 1.00 32.14 C ATOM 2325 C ASP A 137 14.282 -7.776 -10.006 1.00 20.14 C ATOM 2326 O ASP A 137 13.747 -8.852 -10.278 1.00 31.31 O ATOM 2327 CB ASP A 137 14.957 -8.447 -7.654 1.00 71.23 C ATOM 2328 CG ASP A 137 15.403 -8.000 -6.251 1.00 30.42 C ATOM 2329 OD1 ASP A 137 14.548 -7.570 -5.444 1.00 35.35 O ATOM 2330 OD2 ASP A 137 16.621 -8.060 -5.957 1.00 43.01 O ATOM 0 H ASP A 137 12.720 -7.446 -7.241 1.00 1.41 H new ATOM 0 HA ASP A 137 15.023 -6.438 -8.483 1.00 32.14 H new ATOM 0 HB2 ASP A 137 14.210 -9.234 -7.551 1.00 71.23 H new ATOM 0 HB3 ASP A 137 15.811 -8.885 -8.171 1.00 71.23 H new ATOM 2335 N GLY A 138 14.769 -6.930 -10.938 1.00 51.51 N ATOM 2336 CA GLY A 138 14.853 -7.275 -12.367 1.00 43.51 C ATOM 2337 C GLY A 138 13.860 -6.518 -13.240 1.00 14.33 C ATOM 2338 O GLY A 138 14.000 -6.515 -14.473 1.00 51.22 O ATOM 0 H GLY A 138 15.112 -5.995 -10.720 1.00 51.51 H new ATOM 0 HA2 GLY A 138 15.863 -7.072 -12.722 1.00 43.51 H new ATOM 0 HA3 GLY A 138 14.683 -8.345 -12.484 1.00 43.51 H new ATOM 2342 N SER A 139 12.857 -5.881 -12.616 1.00 43.12 N ATOM 2343 CA SER A 139 11.819 -5.127 -13.340 1.00 23.43 C ATOM 2344 C SER A 139 12.340 -3.749 -13.790 1.00 25.03 C ATOM 2345 O SER A 139 12.869 -2.976 -12.973 1.00 61.14 O ATOM 2346 CB SER A 139 10.567 -4.955 -12.457 1.00 14.02 C ATOM 2347 OG SER A 139 10.016 -6.216 -12.109 1.00 64.25 O ATOM 0 H SER A 139 12.742 -5.873 -11.603 1.00 43.12 H new ATOM 0 HA SER A 139 11.553 -5.697 -14.230 1.00 23.43 H new ATOM 0 HB2 SER A 139 10.828 -4.405 -11.553 1.00 14.02 H new ATOM 0 HB3 SER A 139 9.822 -4.362 -12.987 1.00 14.02 H new ATOM 0 HG SER A 139 9.082 -6.101 -11.835 1.00 64.25 H new ATOM 2353 N TYR A 140 12.190 -3.459 -15.098 1.00 34.44 N ATOM 2354 CA TYR A 140 12.475 -2.138 -15.667 1.00 14.32 C ATOM 2355 C TYR A 140 11.287 -1.218 -15.368 1.00 10.20 C ATOM 2356 O TYR A 140 10.355 -1.091 -16.173 1.00 63.22 O ATOM 2357 CB TYR A 140 12.749 -2.235 -17.196 1.00 2.04 C ATOM 2358 CG TYR A 140 13.895 -3.191 -17.559 1.00 11.21 C ATOM 2359 CD1 TYR A 140 15.219 -2.893 -17.213 1.00 43.42 C ATOM 2360 CD2 TYR A 140 13.659 -4.390 -18.241 1.00 24.42 C ATOM 2361 CE1 TYR A 140 16.252 -3.753 -17.533 1.00 1.30 C ATOM 2362 CE2 TYR A 140 14.691 -5.247 -18.561 1.00 50.42 C ATOM 2363 CZ TYR A 140 15.981 -4.926 -18.205 1.00 62.31 C ATOM 2364 OH TYR A 140 17.010 -5.778 -18.531 1.00 42.51 O ATOM 0 H TYR A 140 11.867 -4.139 -15.786 1.00 34.44 H new ATOM 0 HA TYR A 140 13.377 -1.726 -15.214 1.00 14.32 H new ATOM 0 HB2 TYR A 140 11.840 -2.565 -17.699 1.00 2.04 H new ATOM 0 HB3 TYR A 140 12.982 -1.241 -17.578 1.00 2.04 H new ATOM 0 HD1 TYR A 140 15.436 -1.975 -16.687 1.00 43.42 H new ATOM 0 HD2 TYR A 140 12.649 -4.649 -18.522 1.00 24.42 H new ATOM 0 HE1 TYR A 140 17.267 -3.507 -17.258 1.00 1.30 H new ATOM 0 HE2 TYR A 140 14.488 -6.167 -19.089 1.00 50.42 H new ATOM 0 HH TYR A 140 16.651 -6.559 -19.001 1.00 42.51 H new ATOM 2374 N GLN A 141 11.306 -0.639 -14.158 1.00 45.13 N ATOM 2375 CA GLN A 141 10.262 0.284 -13.688 1.00 43.31 C ATOM 2376 C GLN A 141 10.377 1.655 -14.404 1.00 50.22 C ATOM 2377 O GLN A 141 10.913 1.734 -15.513 1.00 42.25 O ATOM 2378 CB GLN A 141 10.347 0.415 -12.134 1.00 2.45 C ATOM 2379 CG GLN A 141 11.689 0.962 -11.596 1.00 0.21 C ATOM 2380 CD GLN A 141 11.720 1.244 -10.085 1.00 11.10 C ATOM 2381 OE1 GLN A 141 12.427 2.142 -9.634 1.00 32.15 O ATOM 2382 NE2 GLN A 141 10.992 0.468 -9.289 1.00 25.32 N ATOM 0 H GLN A 141 12.048 -0.798 -13.476 1.00 45.13 H new ATOM 0 HA GLN A 141 9.279 -0.115 -13.939 1.00 43.31 H new ATOM 0 HB2 GLN A 141 9.544 1.069 -11.795 1.00 2.45 H new ATOM 0 HB3 GLN A 141 10.168 -0.565 -11.692 1.00 2.45 H new ATOM 0 HG2 GLN A 141 12.476 0.246 -11.832 1.00 0.21 H new ATOM 0 HG3 GLN A 141 11.927 1.884 -12.127 1.00 0.21 H new ATOM 0 HE21 GLN A 141 10.413 -0.271 -9.688 1.00 25.32 H new ATOM 0 HE22 GLN A 141 11.012 0.611 -8.279 1.00 25.32 H new ATOM 2391 N CYS A 142 9.840 2.711 -13.779 1.00 33.23 N ATOM 2392 CA CYS A 142 9.876 4.085 -14.293 1.00 45.25 C ATOM 2393 C CYS A 142 11.316 4.552 -14.628 1.00 11.13 C ATOM 2394 O CYS A 142 11.679 4.645 -15.808 1.00 50.31 O ATOM 2395 CB CYS A 142 9.205 4.985 -13.244 1.00 53.21 C ATOM 2396 SG CYS A 142 9.600 4.488 -11.538 1.00 62.24 S ATOM 0 H CYS A 142 9.359 2.631 -12.883 1.00 33.23 H new ATOM 0 HA CYS A 142 9.335 4.142 -15.238 1.00 45.25 H new ATOM 0 HB2 CYS A 142 9.521 6.016 -13.400 1.00 53.21 H new ATOM 0 HB3 CYS A 142 8.125 4.958 -13.385 1.00 53.21 H new ATOM 0 HG CYS A 142 9.695 5.546 -10.789 1.00 62.24 H new ATOM 2401 N CYS A 143 12.139 4.811 -13.593 1.00 70.43 N ATOM 2402 CA CYS A 143 13.532 5.288 -13.766 1.00 60.31 C ATOM 2403 C CYS A 143 14.567 4.164 -13.553 1.00 0.52 C ATOM 2404 O CYS A 143 15.776 4.419 -13.633 1.00 45.21 O ATOM 2405 CB CYS A 143 13.779 6.466 -12.801 1.00 62.33 C ATOM 2406 SG CYS A 143 13.316 6.128 -11.078 1.00 42.12 S ATOM 0 H CYS A 143 11.862 4.697 -12.618 1.00 70.43 H new ATOM 0 HA CYS A 143 13.659 5.623 -14.795 1.00 60.31 H new ATOM 0 HB2 CYS A 143 14.835 6.734 -12.836 1.00 62.33 H new ATOM 0 HB3 CYS A 143 13.219 7.332 -13.153 1.00 62.33 H new ATOM 0 HG CYS A 143 14.079 6.815 -10.281 1.00 42.12 H new ATOM 2411 N ARG A 144 14.072 2.931 -13.265 1.00 43.31 N ATOM 2412 CA ARG A 144 14.900 1.704 -13.060 1.00 30.02 C ATOM 2413 C ARG A 144 15.712 1.787 -11.742 1.00 50.33 C ATOM 2414 O ARG A 144 16.652 1.010 -11.527 1.00 15.13 O ATOM 2415 CB ARG A 144 15.833 1.375 -14.285 1.00 35.22 C ATOM 2416 CG ARG A 144 15.141 0.789 -15.552 1.00 32.12 C ATOM 2417 CD ARG A 144 14.168 1.760 -16.254 1.00 50.02 C ATOM 2418 NE ARG A 144 13.744 1.242 -17.567 1.00 0.03 N ATOM 2419 CZ ARG A 144 12.715 1.700 -18.306 1.00 2.40 C ATOM 2420 NH1 ARG A 144 11.957 2.706 -17.886 1.00 45.13 N ATOM 2421 NH2 ARG A 144 12.459 1.144 -19.484 1.00 50.31 N ATOM 0 H ARG A 144 13.072 2.755 -13.167 1.00 43.31 H new ATOM 0 HA ARG A 144 14.199 0.874 -12.979 1.00 30.02 H new ATOM 0 HB2 ARG A 144 16.352 2.289 -14.573 1.00 35.22 H new ATOM 0 HB3 ARG A 144 16.593 0.667 -13.954 1.00 35.22 H new ATOM 0 HG2 ARG A 144 15.909 0.486 -16.263 1.00 32.12 H new ATOM 0 HG3 ARG A 144 14.596 -0.111 -15.270 1.00 32.12 H new ATOM 0 HD2 ARG A 144 13.293 1.919 -15.624 1.00 50.02 H new ATOM 0 HD3 ARG A 144 14.649 2.730 -16.382 1.00 50.02 H new ATOM 0 HE ARG A 144 14.280 0.464 -17.952 1.00 0.03 H new ATOM 0 HH11 ARG A 144 12.149 3.148 -16.987 1.00 45.13 H new ATOM 0 HH12 ARG A 144 11.183 3.036 -18.462 1.00 45.13 H new ATOM 0 HH21 ARG A 144 13.039 0.377 -19.823 1.00 50.31 H new ATOM 0 HH22 ARG A 144 11.682 1.484 -20.050 1.00 50.31 H new ATOM 2435 N GLN A 145 15.288 2.686 -10.828 1.00 2.04 N ATOM 2436 CA GLN A 145 15.977 2.944 -9.546 1.00 75.43 C ATOM 2437 C GLN A 145 15.438 2.036 -8.417 1.00 14.11 C ATOM 2438 O GLN A 145 15.383 2.445 -7.252 1.00 2.30 O ATOM 2439 CB GLN A 145 15.838 4.447 -9.170 1.00 51.15 C ATOM 2440 CG GLN A 145 16.643 5.416 -10.064 1.00 11.42 C ATOM 2441 CD GLN A 145 16.530 6.892 -9.644 1.00 4.21 C ATOM 2442 OE1 GLN A 145 15.354 7.312 -9.188 1.00 33.51 O flip ATOM 2443 NE2 GLN A 145 17.479 7.667 -9.785 1.00 55.41 N flip ATOM 0 H GLN A 145 14.453 3.256 -10.960 1.00 2.04 H new ATOM 0 HA GLN A 145 17.033 2.705 -9.668 1.00 75.43 H new ATOM 0 HB2 GLN A 145 14.784 4.723 -9.216 1.00 51.15 H new ATOM 0 HB3 GLN A 145 16.157 4.579 -8.136 1.00 51.15 H new ATOM 0 HG2 GLN A 145 17.693 5.123 -10.047 1.00 11.42 H new ATOM 0 HG3 GLN A 145 16.300 5.314 -11.094 1.00 11.42 H new ATOM 0 HE21 GLN A 145 18.372 7.321 -10.137 1.00 55.41 H new ATOM 0 HE22 GLN A 145 17.371 8.654 -9.550 1.00 55.41 H new ATOM 2452 N THR A 146 15.105 0.778 -8.766 1.00 31.24 N ATOM 2453 CA THR A 146 14.697 -0.243 -7.784 1.00 65.42 C ATOM 2454 C THR A 146 15.916 -0.729 -6.952 1.00 25.13 C ATOM 2455 O THR A 146 15.732 -1.393 -5.932 1.00 73.32 O ATOM 2456 CB THR A 146 13.982 -1.457 -8.485 1.00 32.14 C ATOM 2457 OG1 THR A 146 13.396 -2.345 -7.508 1.00 75.01 O ATOM 2458 CG2 THR A 146 14.935 -2.256 -9.400 1.00 55.55 C ATOM 0 H THR A 146 15.111 0.444 -9.730 1.00 31.24 H new ATOM 0 HA THR A 146 13.981 0.219 -7.104 1.00 65.42 H new ATOM 0 HB THR A 146 13.196 -1.031 -9.109 1.00 32.14 H new ATOM 0 HG1 THR A 146 13.939 -2.338 -6.692 1.00 75.01 H new ATOM 0 HG21 THR A 146 14.391 -3.082 -9.859 1.00 55.55 H new ATOM 0 HG22 THR A 146 15.325 -1.601 -10.179 1.00 55.55 H new ATOM 0 HG23 THR A 146 15.762 -2.650 -8.809 1.00 55.55 H new ATOM 2466 N GLU A 147 17.142 -0.346 -7.401 1.00 52.13 N ATOM 2467 CA GLU A 147 18.442 -0.734 -6.803 1.00 4.24 C ATOM 2468 C GLU A 147 18.498 -0.460 -5.282 1.00 11.41 C ATOM 2469 O GLU A 147 18.932 -1.314 -4.503 1.00 74.12 O ATOM 2470 CB GLU A 147 19.578 0.039 -7.540 1.00 72.23 C ATOM 2471 CG GLU A 147 21.020 -0.344 -7.137 1.00 44.10 C ATOM 2472 CD GLU A 147 21.393 -1.801 -7.483 1.00 64.03 C ATOM 2473 OE1 GLU A 147 21.531 -2.116 -8.687 1.00 30.35 O ATOM 2474 OE2 GLU A 147 21.537 -2.640 -6.560 1.00 3.51 O ATOM 0 H GLU A 147 17.252 0.260 -8.214 1.00 52.13 H new ATOM 0 HA GLU A 147 18.571 -1.809 -6.927 1.00 4.24 H new ATOM 0 HB2 GLU A 147 19.465 -0.122 -8.612 1.00 72.23 H new ATOM 0 HB3 GLU A 147 19.442 1.106 -7.361 1.00 72.23 H new ATOM 0 HG2 GLU A 147 21.718 0.329 -7.635 1.00 44.10 H new ATOM 0 HG3 GLU A 147 21.141 -0.192 -6.064 1.00 44.10 H new ATOM 2481 N LYS A 148 18.034 0.726 -4.878 1.00 30.34 N ATOM 2482 CA LYS A 148 17.963 1.132 -3.458 1.00 1.10 C ATOM 2483 C LYS A 148 16.938 2.278 -3.310 1.00 2.11 C ATOM 2484 O LYS A 148 16.647 2.972 -4.284 1.00 5.03 O ATOM 2485 CB LYS A 148 19.382 1.529 -2.915 1.00 45.35 C ATOM 2486 CG LYS A 148 19.450 1.902 -1.411 1.00 71.20 C ATOM 2487 CD LYS A 148 18.912 0.796 -0.468 1.00 2.40 C ATOM 2488 CE LYS A 148 19.723 -0.510 -0.508 1.00 45.12 C ATOM 2489 NZ LYS A 148 19.091 -1.565 0.338 1.00 64.43 N ATOM 0 H LYS A 148 17.694 1.439 -5.523 1.00 30.34 H new ATOM 0 HA LYS A 148 17.627 0.291 -2.852 1.00 1.10 H new ATOM 0 HB2 LYS A 148 20.064 0.698 -3.095 1.00 45.35 H new ATOM 0 HB3 LYS A 148 19.749 2.375 -3.496 1.00 45.35 H new ATOM 0 HG2 LYS A 148 20.485 2.120 -1.147 1.00 71.20 H new ATOM 0 HG3 LYS A 148 18.879 2.816 -1.247 1.00 71.20 H new ATOM 0 HD2 LYS A 148 18.905 1.176 0.554 1.00 2.40 H new ATOM 0 HD3 LYS A 148 17.878 0.578 -0.734 1.00 2.40 H new ATOM 0 HE2 LYS A 148 19.799 -0.862 -1.537 1.00 45.12 H new ATOM 0 HE3 LYS A 148 20.739 -0.321 -0.160 1.00 45.12 H new ATOM 0 HZ1 LYS A 148 19.660 -2.434 0.291 1.00 64.43 H new ATOM 0 HZ2 LYS A 148 19.041 -1.236 1.323 1.00 64.43 H new ATOM 0 HZ3 LYS A 148 18.131 -1.761 -0.011 1.00 64.43 H new ATOM 2503 N LEU A 149 16.399 2.437 -2.083 1.00 11.32 N ATOM 2504 CA LEU A 149 15.291 3.353 -1.749 1.00 73.02 C ATOM 2505 C LEU A 149 15.585 4.812 -2.162 1.00 11.22 C ATOM 2506 O LEU A 149 16.195 5.582 -1.408 1.00 1.23 O ATOM 2507 CB LEU A 149 14.994 3.260 -0.231 1.00 72.12 C ATOM 2508 CG LEU A 149 14.773 1.824 0.341 1.00 73.41 C ATOM 2509 CD1 LEU A 149 14.631 1.866 1.876 1.00 74.20 C ATOM 2510 CD2 LEU A 149 13.567 1.122 -0.327 1.00 41.21 C ATOM 0 H LEU A 149 16.734 1.915 -1.273 1.00 11.32 H new ATOM 0 HA LEU A 149 14.414 3.044 -2.318 1.00 73.02 H new ATOM 0 HB2 LEU A 149 15.821 3.720 0.309 1.00 72.12 H new ATOM 0 HB3 LEU A 149 14.105 3.854 -0.019 1.00 72.12 H new ATOM 0 HG LEU A 149 15.654 1.229 0.103 1.00 73.41 H new ATOM 0 HD11 LEU A 149 14.478 0.856 2.255 1.00 74.20 H new ATOM 0 HD12 LEU A 149 15.537 2.284 2.314 1.00 74.20 H new ATOM 0 HD13 LEU A 149 13.777 2.488 2.146 1.00 74.20 H new ATOM 0 HD21 LEU A 149 13.445 0.125 0.097 1.00 41.21 H new ATOM 0 HD22 LEU A 149 12.663 1.705 -0.150 1.00 41.21 H new ATOM 0 HD23 LEU A 149 13.742 1.041 -1.400 1.00 41.21 H new ATOM 2522 N ALA A 150 15.177 5.145 -3.392 1.00 13.02 N ATOM 2523 CA ALA A 150 15.311 6.491 -3.957 1.00 43.32 C ATOM 2524 C ALA A 150 14.199 7.418 -3.407 1.00 31.52 C ATOM 2525 O ALA A 150 13.084 6.942 -3.148 1.00 21.53 O ATOM 2526 CB ALA A 150 15.265 6.410 -5.498 1.00 4.41 C ATOM 0 H ALA A 150 14.740 4.479 -4.029 1.00 13.02 H new ATOM 0 HA ALA A 150 16.270 6.916 -3.663 1.00 43.32 H new ATOM 0 HB1 ALA A 150 15.365 7.411 -5.918 1.00 4.41 H new ATOM 0 HB2 ALA A 150 16.083 5.784 -5.854 1.00 4.41 H new ATOM 0 HB3 ALA A 150 14.315 5.978 -5.811 1.00 4.41 H new ATOM 2532 N PRO A 151 14.486 8.759 -3.231 1.00 62.23 N ATOM 2533 CA PRO A 151 13.489 9.757 -2.732 1.00 5.00 C ATOM 2534 C PRO A 151 12.192 9.855 -3.582 1.00 40.10 C ATOM 2535 O PRO A 151 11.191 10.423 -3.128 1.00 34.11 O ATOM 2536 CB PRO A 151 14.279 11.095 -2.765 1.00 21.14 C ATOM 2537 CG PRO A 151 15.719 10.691 -2.672 1.00 4.10 C ATOM 2538 CD PRO A 151 15.820 9.398 -3.450 1.00 1.33 C ATOM 0 HA PRO A 151 13.118 9.476 -1.746 1.00 5.00 H new ATOM 0 HB2 PRO A 151 14.082 11.648 -3.683 1.00 21.14 H new ATOM 0 HB3 PRO A 151 13.995 11.743 -1.935 1.00 21.14 H new ATOM 0 HG2 PRO A 151 16.371 11.456 -3.094 1.00 4.10 H new ATOM 0 HG3 PRO A 151 16.022 10.551 -1.634 1.00 4.10 H new ATOM 0 HD2 PRO A 151 16.010 9.579 -4.508 1.00 1.33 H new ATOM 0 HD3 PRO A 151 16.632 8.770 -3.083 1.00 1.33 H new ATOM 2546 N GLY A 152 12.240 9.304 -4.807 1.00 43.31 N ATOM 2547 CA GLY A 152 11.087 9.254 -5.712 1.00 4.43 C ATOM 2548 C GLY A 152 11.311 10.058 -6.981 1.00 62.51 C ATOM 2549 O GLY A 152 12.154 10.968 -7.004 1.00 4.12 O ATOM 0 H GLY A 152 13.083 8.881 -5.195 1.00 43.31 H new ATOM 0 HA2 GLY A 152 10.879 8.217 -5.974 1.00 4.43 H new ATOM 0 HA3 GLY A 152 10.206 9.634 -5.195 1.00 4.43 H new ATOM 2553 N CYS A 153 10.560 9.723 -8.040 1.00 2.42 N ATOM 2554 CA CYS A 153 10.674 10.370 -9.365 1.00 12.13 C ATOM 2555 C CYS A 153 9.429 11.218 -9.683 1.00 74.41 C ATOM 2556 O CYS A 153 9.542 12.337 -10.190 1.00 31.34 O ATOM 2557 CB CYS A 153 10.885 9.284 -10.435 1.00 40.24 C ATOM 2558 SG CYS A 153 9.614 7.990 -10.425 1.00 34.50 S ATOM 0 H CYS A 153 9.850 8.991 -8.006 1.00 2.42 H new ATOM 0 HA CYS A 153 11.529 11.046 -9.358 1.00 12.13 H new ATOM 0 HB2 CYS A 153 10.904 9.754 -11.418 1.00 40.24 H new ATOM 0 HB3 CYS A 153 11.861 8.823 -10.284 1.00 40.24 H new ATOM 0 HG CYS A 153 9.608 7.378 -11.572 1.00 34.50 H new ATOM 2563 N GLU A 154 8.248 10.682 -9.348 1.00 2.12 N ATOM 2564 CA GLU A 154 6.946 11.339 -9.585 1.00 12.42 C ATOM 2565 C GLU A 154 6.459 12.013 -8.304 1.00 14.04 C ATOM 2566 O GLU A 154 6.781 11.553 -7.213 1.00 53.33 O ATOM 2567 CB GLU A 154 5.902 10.295 -10.059 1.00 43.54 C ATOM 2568 CG GLU A 154 6.151 9.767 -11.473 1.00 75.01 C ATOM 2569 CD GLU A 154 6.078 10.869 -12.542 1.00 42.03 C ATOM 2570 OE1 GLU A 154 4.982 11.437 -12.730 1.00 60.25 O ATOM 2571 OE2 GLU A 154 7.110 11.183 -13.185 1.00 70.53 O ATOM 0 H GLU A 154 8.164 9.770 -8.899 1.00 2.12 H new ATOM 0 HA GLU A 154 7.070 12.095 -10.360 1.00 12.42 H new ATOM 0 HB2 GLU A 154 5.900 9.456 -9.363 1.00 43.54 H new ATOM 0 HB3 GLU A 154 4.910 10.744 -10.019 1.00 43.54 H new ATOM 0 HG2 GLU A 154 7.132 9.294 -11.512 1.00 75.01 H new ATOM 0 HG3 GLU A 154 5.416 8.995 -11.702 1.00 75.01 H new ATOM 2578 N LYS A 155 5.679 13.101 -8.451 1.00 24.40 N ATOM 2579 CA LYS A 155 5.107 13.830 -7.313 1.00 32.21 C ATOM 2580 C LYS A 155 4.100 12.932 -6.560 1.00 44.20 C ATOM 2581 O LYS A 155 3.262 12.261 -7.174 1.00 44.43 O ATOM 2582 CB LYS A 155 4.485 15.203 -7.781 1.00 22.52 C ATOM 2583 CG LYS A 155 3.414 15.153 -8.918 1.00 60.33 C ATOM 2584 CD LYS A 155 1.978 14.836 -8.428 1.00 50.34 C ATOM 2585 CE LYS A 155 0.984 14.633 -9.587 1.00 22.34 C ATOM 2586 NZ LYS A 155 -0.344 14.159 -9.104 1.00 53.12 N ATOM 0 H LYS A 155 5.431 13.494 -9.359 1.00 24.40 H new ATOM 0 HA LYS A 155 5.899 14.081 -6.607 1.00 32.21 H new ATOM 0 HB2 LYS A 155 4.033 15.682 -6.913 1.00 22.52 H new ATOM 0 HB3 LYS A 155 5.300 15.847 -8.113 1.00 22.52 H new ATOM 0 HG2 LYS A 155 3.405 16.112 -9.435 1.00 60.33 H new ATOM 0 HG3 LYS A 155 3.711 14.400 -9.648 1.00 60.33 H new ATOM 0 HD2 LYS A 155 1.999 13.937 -7.812 1.00 50.34 H new ATOM 0 HD3 LYS A 155 1.628 15.650 -7.793 1.00 50.34 H new ATOM 0 HE2 LYS A 155 0.860 15.571 -10.127 1.00 22.34 H new ATOM 0 HE3 LYS A 155 1.393 13.910 -10.293 1.00 22.34 H new ATOM 0 HZ1 LYS A 155 -0.591 13.270 -9.584 1.00 53.12 H new ATOM 0 HZ2 LYS A 155 -0.303 13.998 -8.077 1.00 53.12 H new ATOM 0 HZ3 LYS A 155 -1.066 14.878 -9.313 1.00 53.12 H new ATOM 2600 N TYR A 156 4.262 12.852 -5.241 1.00 74.24 N ATOM 2601 CA TYR A 156 3.285 12.251 -4.333 1.00 70.24 C ATOM 2602 C TYR A 156 2.492 13.387 -3.682 1.00 33.41 C ATOM 2603 O TYR A 156 3.015 14.107 -2.817 1.00 45.04 O ATOM 2604 CB TYR A 156 4.003 11.385 -3.260 1.00 30.52 C ATOM 2605 CG TYR A 156 3.091 10.874 -2.124 1.00 14.24 C ATOM 2606 CD1 TYR A 156 1.968 10.095 -2.404 1.00 4.10 C ATOM 2607 CD2 TYR A 156 3.350 11.176 -0.780 1.00 41.03 C ATOM 2608 CE1 TYR A 156 1.146 9.637 -1.395 1.00 31.14 C ATOM 2609 CE2 TYR A 156 2.527 10.713 0.229 1.00 5.13 C ATOM 2610 CZ TYR A 156 1.431 9.945 -0.084 1.00 23.51 C ATOM 2611 OH TYR A 156 0.615 9.476 0.924 1.00 22.24 O ATOM 0 H TYR A 156 5.090 13.209 -4.764 1.00 74.24 H new ATOM 0 HA TYR A 156 2.609 11.593 -4.880 1.00 70.24 H new ATOM 0 HB2 TYR A 156 4.461 10.527 -3.753 1.00 30.52 H new ATOM 0 HB3 TYR A 156 4.811 11.971 -2.822 1.00 30.52 H new ATOM 0 HD1 TYR A 156 1.738 9.846 -3.429 1.00 4.10 H new ATOM 0 HD2 TYR A 156 4.208 11.781 -0.528 1.00 41.03 H new ATOM 0 HE1 TYR A 156 0.280 9.037 -1.633 1.00 31.14 H new ATOM 0 HE2 TYR A 156 2.744 10.954 1.259 1.00 5.13 H new ATOM 0 HH TYR A 156 0.956 9.782 1.790 1.00 22.24 H new ATOM 2621 N ASN A 157 1.242 13.576 -4.130 1.00 73.13 N ATOM 2622 CA ASN A 157 0.341 14.578 -3.569 1.00 51.14 C ATOM 2623 C ASN A 157 -0.355 13.990 -2.335 1.00 12.20 C ATOM 2624 O ASN A 157 -1.289 13.180 -2.436 1.00 41.24 O ATOM 2625 CB ASN A 157 -0.677 15.102 -4.627 1.00 40.43 C ATOM 2626 CG ASN A 157 -1.448 14.019 -5.389 1.00 3.11 C ATOM 2627 OD1 ASN A 157 -1.003 13.556 -6.440 1.00 25.44 O ATOM 2628 ND2 ASN A 157 -2.610 13.625 -4.883 1.00 64.13 N ATOM 0 H ASN A 157 0.833 13.035 -4.892 1.00 73.13 H new ATOM 0 HA ASN A 157 0.921 15.448 -3.262 1.00 51.14 H new ATOM 0 HB2 ASN A 157 -1.395 15.751 -4.125 1.00 40.43 H new ATOM 0 HB3 ASN A 157 -0.141 15.718 -5.349 1.00 40.43 H new ATOM 0 HD21 ASN A 157 -3.164 12.918 -5.367 1.00 64.13 H new ATOM 0 HD22 ASN A 157 -2.949 14.029 -4.010 1.00 64.13 H new ATOM 2635 N LEU A 158 0.177 14.356 -1.165 1.00 70.04 N ATOM 2636 CA LEU A 158 -0.411 14.009 0.129 1.00 5.42 C ATOM 2637 C LEU A 158 -1.781 14.709 0.273 1.00 74.43 C ATOM 2638 O LEU A 158 -2.741 14.128 0.786 1.00 12.14 O ATOM 2639 CB LEU A 158 0.559 14.417 1.266 1.00 0.51 C ATOM 2640 CG LEU A 158 0.160 13.969 2.704 1.00 64.43 C ATOM 2641 CD1 LEU A 158 0.142 12.424 2.840 1.00 21.14 C ATOM 2642 CD2 LEU A 158 1.086 14.621 3.750 1.00 44.52 C ATOM 0 H LEU A 158 1.033 14.905 -1.090 1.00 70.04 H new ATOM 0 HA LEU A 158 -0.571 12.933 0.194 1.00 5.42 H new ATOM 0 HB2 LEU A 158 1.543 14.007 1.040 1.00 0.51 H new ATOM 0 HB3 LEU A 158 0.657 15.503 1.260 1.00 0.51 H new ATOM 0 HG LEU A 158 -0.857 14.313 2.893 1.00 64.43 H new ATOM 0 HD11 LEU A 158 -0.141 12.152 3.857 1.00 21.14 H new ATOM 0 HD12 LEU A 158 -0.579 12.005 2.138 1.00 21.14 H new ATOM 0 HD13 LEU A 158 1.133 12.028 2.621 1.00 21.14 H new ATOM 0 HD21 LEU A 158 0.792 14.297 4.748 1.00 44.52 H new ATOM 0 HD22 LEU A 158 2.117 14.322 3.560 1.00 44.52 H new ATOM 0 HD23 LEU A 158 1.004 15.706 3.682 1.00 44.52 H new ATOM 2654 N PHE A 159 -1.845 15.965 -0.217 1.00 41.01 N ATOM 2655 CA PHE A 159 -3.086 16.762 -0.288 1.00 32.13 C ATOM 2656 C PHE A 159 -3.274 17.289 -1.722 1.00 50.44 C ATOM 2657 O PHE A 159 -4.203 16.884 -2.428 1.00 71.01 O ATOM 2658 CB PHE A 159 -3.041 17.952 0.707 1.00 10.32 C ATOM 2659 CG PHE A 159 -2.828 17.555 2.166 1.00 41.42 C ATOM 2660 CD1 PHE A 159 -3.870 17.008 2.912 1.00 14.14 C ATOM 2661 CD2 PHE A 159 -1.592 17.737 2.794 1.00 60.42 C ATOM 2662 CE1 PHE A 159 -3.680 16.655 4.235 1.00 75.24 C ATOM 2663 CE2 PHE A 159 -1.406 17.385 4.118 1.00 1.23 C ATOM 2664 CZ PHE A 159 -2.453 16.846 4.838 1.00 32.12 C ATOM 0 H PHE A 159 -1.028 16.458 -0.578 1.00 41.01 H new ATOM 0 HA PHE A 159 -3.926 16.122 -0.016 1.00 32.13 H new ATOM 0 HB2 PHE A 159 -2.240 18.628 0.408 1.00 10.32 H new ATOM 0 HB3 PHE A 159 -3.975 18.509 0.629 1.00 10.32 H new ATOM 0 HD1 PHE A 159 -4.836 16.858 2.452 1.00 14.14 H new ATOM 0 HD2 PHE A 159 -0.769 18.159 2.236 1.00 60.42 H new ATOM 0 HE1 PHE A 159 -4.496 16.228 4.800 1.00 75.24 H new ATOM 0 HE2 PHE A 159 -0.444 17.531 4.587 1.00 1.23 H new ATOM 0 HZ PHE A 159 -2.312 16.574 5.874 1.00 32.12 H new