USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=38 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 117 LYS NZ :NH3+ -172:sc= 0.853 (180deg=0.762) USER MOD Set 1.2: A 156 TYR OH : rot 23:sc= 0.355 USER MOD Set 1.3: A 157 ASN : amide:sc= -0.022 X(o=1.2,f=0.72) USER MOD Set 2.1: A 131 HIS : no HD1:sc= -1.97 K(o=-7.8,f=-11!) USER MOD Set 2.2: A 142 CYS SG : rot 121:sc= -2.14! USER MOD Set 2.3: A 143 CYS SG : rot -7:sc= -2.76! USER MOD Set 2.4: A 145 GLN :FLIP amide:sc= -0.159 F(o=-8.4,f=-7.8) USER MOD Set 2.5: A 153 CYS SG : rot -73:sc= -0.786 USER MOD Set 3.1: A 91 GLN : amide:sc= -0.292 K(o=-0.0053,f=-3.1!) USER MOD Set 3.2: A 100 TYR OH : rot 150:sc= 0.287 USER MOD Single : A 15 THR OG1 : rot 27:sc= 1.12 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.195 (180deg=-1.16) USER MOD Single : A 25 SER OG : rot -93:sc= 0.134 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 90:sc= 0.762 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -24:sc= 0.955 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0.536 (180deg=0.321) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -156:sc= -0.22 (180deg=-0.937) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 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+ 171:sc= 0.352 (180deg=0.15) USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -0.66 (180deg=-2!) USER MOD Single : A 71 CYS SG : rot 17:sc= -3.39! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -95:sc= -4.2! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.313 F(o=-1,f=-0.31) USER MOD Single : A 86 ASN : amide:sc= -0.187 K(o=-0.19,f=-4.3!) 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= -1.98 X(o=-2,f=-1.7) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 98 THR OG1 : rot 99:sc= 0.839 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 107 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.014) USER MOD Single : A 108 SER OG : rot -140:sc= -0.0769 USER MOD Single : A 114 LYS NZ :NH3+ -128:sc= 0.0817 (180deg=-0.232) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.141) USER MOD Single : A 122 ASN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 123 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.4) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 125 ASN : amide:sc= -1.44 K(o=-1.4,f=-5!) USER MOD Single : A 127 MET CE :methyl 166:sc= 0 (180deg=-0.247) USER MOD Single : A 129 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0296) USER MOD Single : A 130 TYR OH : rot -98:sc= 0.373 USER MOD Single : A 133 LYS NZ :NH3+ 148:sc= 0.0676 (180deg=-1.03!) USER MOD Single : A 136 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 139 SER OG : rot 67:sc= -1.18! USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= -0.475 K(o=-0.47,f=-6.4!) USER MOD Single : A 146 THR OG1 : rot -20:sc= 0.292 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -10.277 -1.073 14.987 1.00 23.12 N ATOM 230 CA THR A 15 -9.575 -1.125 13.695 1.00 34.42 C ATOM 231 C THR A 15 -10.137 -0.065 12.723 1.00 53.41 C ATOM 232 O THR A 15 -11.346 0.204 12.710 1.00 44.41 O ATOM 233 CB THR A 15 -9.693 -2.556 13.052 1.00 52.35 C ATOM 234 OG1 THR A 15 -8.990 -2.608 11.799 1.00 73.15 O ATOM 235 CG2 THR A 15 -11.159 -2.973 12.829 1.00 65.52 C ATOM 0 HA THR A 15 -8.523 -0.909 13.879 1.00 34.42 H new ATOM 0 HB THR A 15 -9.243 -3.255 13.757 1.00 52.35 H new ATOM 0 HG1 THR A 15 -8.270 -1.943 11.800 1.00 73.15 H new ATOM 0 HG21 THR A 15 -11.191 -3.967 12.383 1.00 65.52 H new ATOM 0 HG22 THR A 15 -11.683 -2.987 13.785 1.00 65.52 H new ATOM 0 HG23 THR A 15 -11.642 -2.260 12.161 1.00 65.52 H new ATOM 243 N ILE A 16 -9.239 0.553 11.950 1.00 61.10 N ATOM 244 CA ILE A 16 -9.589 1.525 10.904 1.00 32.31 C ATOM 245 C ILE A 16 -10.346 0.816 9.767 1.00 72.44 C ATOM 246 O ILE A 16 -11.408 1.279 9.336 1.00 71.42 O ATOM 247 CB ILE A 16 -8.300 2.227 10.342 1.00 62.11 C ATOM 248 CG1 ILE A 16 -7.463 2.844 11.508 1.00 73.52 C ATOM 249 CG2 ILE A 16 -8.651 3.308 9.280 1.00 3.23 C ATOM 250 CD1 ILE A 16 -6.132 3.409 11.079 1.00 14.34 C ATOM 0 H ILE A 16 -8.235 0.392 12.032 1.00 61.10 H new ATOM 0 HA ILE A 16 -10.231 2.290 11.340 1.00 32.31 H new ATOM 0 HB ILE A 16 -7.697 1.467 9.844 1.00 62.11 H new ATOM 0 HG12 ILE A 16 -8.046 3.635 11.980 1.00 73.52 H new ATOM 0 HG13 ILE A 16 -7.293 2.078 12.264 1.00 73.52 H new ATOM 0 HG21 ILE A 16 -7.734 3.771 8.915 1.00 3.23 H new ATOM 0 HG22 ILE A 16 -9.179 2.842 8.448 1.00 3.23 H new ATOM 0 HG23 ILE A 16 -9.287 4.069 9.732 1.00 3.23 H new ATOM 0 HD11 ILE A 16 -5.614 3.818 11.946 1.00 14.34 H new ATOM 0 HD12 ILE A 16 -5.528 2.619 10.634 1.00 14.34 H new ATOM 0 HD13 ILE A 16 -6.292 4.200 10.346 1.00 14.34 H new ATOM 262 N LEU A 17 -9.808 -0.345 9.333 1.00 30.03 N ATOM 263 CA LEU A 17 -10.391 -1.142 8.233 1.00 12.01 C ATOM 264 C LEU A 17 -9.734 -2.537 8.154 1.00 40.23 C ATOM 265 O LEU A 17 -8.540 -2.679 8.426 1.00 24.43 O ATOM 266 CB LEU A 17 -10.236 -0.379 6.879 1.00 41.22 C ATOM 267 CG LEU A 17 -10.853 -1.051 5.611 1.00 61.30 C ATOM 268 CD1 LEU A 17 -12.364 -1.364 5.798 1.00 44.41 C ATOM 269 CD2 LEU A 17 -10.609 -0.168 4.365 1.00 52.33 C ATOM 0 H LEU A 17 -8.963 -0.753 9.733 1.00 30.03 H new ATOM 0 HA LEU A 17 -11.453 -1.285 8.434 1.00 12.01 H new ATOM 0 HB2 LEU A 17 -10.686 0.607 6.993 1.00 41.22 H new ATOM 0 HB3 LEU A 17 -9.172 -0.225 6.697 1.00 41.22 H new ATOM 0 HG LEU A 17 -10.352 -2.007 5.460 1.00 61.30 H new ATOM 0 HD11 LEU A 17 -12.754 -1.830 4.893 1.00 44.41 H new ATOM 0 HD12 LEU A 17 -12.493 -2.043 6.641 1.00 44.41 H new ATOM 0 HD13 LEU A 17 -12.906 -0.438 5.991 1.00 44.41 H new ATOM 0 HD21 LEU A 17 -11.044 -0.648 3.488 1.00 52.33 H new ATOM 0 HD22 LEU A 17 -11.074 0.807 4.513 1.00 52.33 H new ATOM 0 HD23 LEU A 17 -9.537 -0.040 4.214 1.00 52.33 H new ATOM 281 N GLU A 18 -10.537 -3.564 7.793 1.00 22.32 N ATOM 282 CA GLU A 18 -10.048 -4.928 7.513 1.00 11.04 C ATOM 283 C GLU A 18 -10.661 -5.430 6.189 1.00 75.11 C ATOM 284 O GLU A 18 -11.834 -5.164 5.910 1.00 22.43 O ATOM 285 CB GLU A 18 -10.369 -5.912 8.685 1.00 5.21 C ATOM 286 CG GLU A 18 -11.861 -6.276 8.905 1.00 14.44 C ATOM 287 CD GLU A 18 -12.721 -5.126 9.466 1.00 40.14 C ATOM 288 OE1 GLU A 18 -13.273 -4.321 8.680 1.00 73.54 O ATOM 289 OE2 GLU A 18 -12.843 -5.019 10.706 1.00 35.33 O ATOM 0 H GLU A 18 -11.547 -3.466 7.688 1.00 22.32 H new ATOM 0 HA GLU A 18 -8.963 -4.893 7.419 1.00 11.04 H new ATOM 0 HB2 GLU A 18 -9.816 -6.836 8.514 1.00 5.21 H new ATOM 0 HB3 GLU A 18 -9.986 -5.477 9.608 1.00 5.21 H new ATOM 0 HG2 GLU A 18 -12.287 -6.602 7.956 1.00 14.44 H new ATOM 0 HG3 GLU A 18 -11.919 -7.123 9.588 1.00 14.44 H new ATOM 296 N GLU A 19 -9.849 -6.128 5.376 1.00 51.22 N ATOM 297 CA GLU A 19 -10.292 -6.681 4.075 1.00 53.31 C ATOM 298 C GLU A 19 -9.286 -7.735 3.570 1.00 43.45 C ATOM 299 O GLU A 19 -8.108 -7.717 3.943 1.00 12.42 O ATOM 300 CB GLU A 19 -10.471 -5.534 3.027 1.00 43.45 C ATOM 301 CG GLU A 19 -10.902 -5.953 1.601 1.00 14.14 C ATOM 302 CD GLU A 19 -12.296 -6.604 1.521 1.00 42.41 C ATOM 303 OE1 GLU A 19 -13.304 -5.874 1.560 1.00 42.41 O ATOM 304 OE2 GLU A 19 -12.396 -7.844 1.413 1.00 42.23 O ATOM 0 H GLU A 19 -8.873 -6.326 5.596 1.00 51.22 H new ATOM 0 HA GLU A 19 -11.257 -7.169 4.213 1.00 53.31 H new ATOM 0 HB2 GLU A 19 -11.211 -4.833 3.413 1.00 43.45 H new ATOM 0 HB3 GLU A 19 -9.528 -4.992 2.952 1.00 43.45 H new ATOM 0 HG2 GLU A 19 -10.888 -5.073 0.958 1.00 14.14 H new ATOM 0 HG3 GLU A 19 -10.165 -6.651 1.203 1.00 14.14 H new ATOM 311 N ILE A 20 -9.781 -8.639 2.713 1.00 51.41 N ATOM 312 CA ILE A 20 -8.994 -9.678 2.051 1.00 10.20 C ATOM 313 C ILE A 20 -8.227 -9.060 0.848 1.00 23.30 C ATOM 314 O ILE A 20 -8.793 -8.870 -0.241 1.00 23.41 O ATOM 315 CB ILE A 20 -9.962 -10.828 1.569 1.00 5.25 C ATOM 316 CG1 ILE A 20 -10.796 -11.413 2.756 1.00 54.15 C ATOM 317 CG2 ILE A 20 -9.204 -11.949 0.842 1.00 43.00 C ATOM 318 CD1 ILE A 20 -9.977 -12.144 3.814 1.00 15.35 C ATOM 0 H ILE A 20 -10.768 -8.665 2.457 1.00 51.41 H new ATOM 0 HA ILE A 20 -8.265 -10.098 2.744 1.00 10.20 H new ATOM 0 HB ILE A 20 -10.653 -10.376 0.857 1.00 5.25 H new ATOM 0 HG12 ILE A 20 -11.339 -10.599 3.236 1.00 54.15 H new ATOM 0 HG13 ILE A 20 -11.541 -12.100 2.354 1.00 54.15 H new ATOM 0 HG21 ILE A 20 -9.908 -12.720 0.527 1.00 43.00 H new ATOM 0 HG22 ILE A 20 -8.700 -11.539 -0.033 1.00 43.00 H new ATOM 0 HG23 ILE A 20 -8.466 -12.385 1.515 1.00 43.00 H new ATOM 0 HD11 ILE A 20 -10.640 -12.514 4.596 1.00 15.35 H new ATOM 0 HD12 ILE A 20 -9.454 -12.983 3.354 1.00 15.35 H new ATOM 0 HD13 ILE A 20 -9.250 -11.458 4.249 1.00 15.35 H new ATOM 330 N LEU A 21 -6.951 -8.699 1.079 1.00 2.31 N ATOM 331 CA LEU A 21 -6.082 -8.078 0.055 1.00 53.13 C ATOM 332 C LEU A 21 -4.991 -9.074 -0.399 1.00 14.23 C ATOM 333 O LEU A 21 -4.514 -9.897 0.397 1.00 73.41 O ATOM 334 CB LEU A 21 -5.394 -6.806 0.621 1.00 5.42 C ATOM 335 CG LEU A 21 -6.305 -5.737 1.302 1.00 21.52 C ATOM 336 CD1 LEU A 21 -5.464 -4.585 1.903 1.00 21.41 C ATOM 337 CD2 LEU A 21 -7.357 -5.188 0.327 1.00 65.32 C ATOM 0 H LEU A 21 -6.491 -8.829 1.980 1.00 2.31 H new ATOM 0 HA LEU A 21 -6.708 -7.805 -0.795 1.00 53.13 H new ATOM 0 HB2 LEU A 21 -4.646 -7.123 1.348 1.00 5.42 H new ATOM 0 HB3 LEU A 21 -4.859 -6.321 -0.196 1.00 5.42 H new ATOM 0 HG LEU A 21 -6.832 -6.234 2.116 1.00 21.52 H new ATOM 0 HD11 LEU A 21 -6.126 -3.856 2.370 1.00 21.41 H new ATOM 0 HD12 LEU A 21 -4.780 -4.986 2.651 1.00 21.41 H new ATOM 0 HD13 LEU A 21 -4.892 -4.101 1.111 1.00 21.41 H new ATOM 0 HD21 LEU A 21 -7.973 -4.446 0.836 1.00 65.32 H new ATOM 0 HD22 LEU A 21 -6.858 -4.723 -0.523 1.00 65.32 H new ATOM 0 HD23 LEU A 21 -7.988 -6.004 -0.025 1.00 65.32 H new ATOM 349 N ILE A 22 -4.583 -8.961 -1.676 1.00 15.10 N ATOM 350 CA ILE A 22 -3.475 -9.758 -2.263 1.00 24.33 C ATOM 351 C ILE A 22 -2.179 -8.915 -2.266 1.00 51.34 C ATOM 352 O ILE A 22 -2.239 -7.691 -2.262 1.00 50.33 O ATOM 353 CB ILE A 22 -3.855 -10.252 -3.723 1.00 75.54 C ATOM 354 CG1 ILE A 22 -5.107 -11.193 -3.660 1.00 2.42 C ATOM 355 CG2 ILE A 22 -2.670 -10.961 -4.438 1.00 20.54 C ATOM 356 CD1 ILE A 22 -5.510 -11.840 -4.975 1.00 31.34 C ATOM 0 H ILE A 22 -5.010 -8.313 -2.338 1.00 15.10 H new ATOM 0 HA ILE A 22 -3.306 -10.647 -1.655 1.00 24.33 H new ATOM 0 HB ILE A 22 -4.095 -9.369 -4.316 1.00 75.54 H new ATOM 0 HG12 ILE A 22 -4.910 -11.981 -2.933 1.00 2.42 H new ATOM 0 HG13 ILE A 22 -5.953 -10.617 -3.285 1.00 2.42 H new ATOM 0 HG21 ILE A 22 -2.983 -11.279 -5.432 1.00 20.54 H new ATOM 0 HG22 ILE A 22 -1.832 -10.270 -4.525 1.00 20.54 H new ATOM 0 HG23 ILE A 22 -2.364 -11.832 -3.858 1.00 20.54 H new ATOM 0 HD11 ILE A 22 -6.386 -12.469 -4.818 1.00 31.34 H new ATOM 0 HD12 ILE A 22 -5.746 -11.065 -5.704 1.00 31.34 H new ATOM 0 HD13 ILE A 22 -4.687 -12.450 -5.347 1.00 31.34 H new ATOM 368 N LYS A 23 -1.014 -9.584 -2.225 1.00 21.32 N ATOM 369 CA LYS A 23 0.308 -8.925 -2.168 1.00 61.24 C ATOM 370 C LYS A 23 1.235 -9.515 -3.226 1.00 72.33 C ATOM 371 O LYS A 23 1.205 -10.719 -3.454 1.00 4.44 O ATOM 372 CB LYS A 23 0.976 -9.182 -0.790 1.00 34.31 C ATOM 373 CG LYS A 23 0.156 -8.754 0.433 1.00 4.24 C ATOM 374 CD LYS A 23 0.749 -9.284 1.766 1.00 1.34 C ATOM 375 CE LYS A 23 0.861 -10.818 1.807 1.00 73.41 C ATOM 376 NZ LYS A 23 -0.419 -11.486 1.433 1.00 0.11 N ATOM 0 H LYS A 23 -0.960 -10.603 -2.230 1.00 21.32 H new ATOM 0 HA LYS A 23 0.155 -7.859 -2.334 1.00 61.24 H new ATOM 0 HB2 LYS A 23 1.194 -10.247 -0.705 1.00 34.31 H new ATOM 0 HB3 LYS A 23 1.932 -8.658 -0.766 1.00 34.31 H new ATOM 0 HG2 LYS A 23 0.106 -7.666 0.469 1.00 4.24 H new ATOM 0 HG3 LYS A 23 -0.866 -9.117 0.325 1.00 4.24 H new ATOM 0 HD2 LYS A 23 1.737 -8.849 1.916 1.00 1.34 H new ATOM 0 HD3 LYS A 23 0.124 -8.949 2.594 1.00 1.34 H new ATOM 0 HE2 LYS A 23 1.650 -11.141 1.128 1.00 73.41 H new ATOM 0 HE3 LYS A 23 1.154 -11.133 2.809 1.00 73.41 H new ATOM 0 HZ1 LYS A 23 -0.454 -12.434 1.860 1.00 0.11 H new ATOM 0 HZ2 LYS A 23 -1.220 -10.921 1.780 1.00 0.11 H new ATOM 0 HZ3 LYS A 23 -0.477 -11.570 0.398 1.00 0.11 H new ATOM 390 N ARG A 24 2.086 -8.673 -3.815 1.00 14.10 N ATOM 391 CA ARG A 24 3.300 -9.136 -4.494 1.00 54.42 C ATOM 392 C ARG A 24 4.370 -9.316 -3.404 1.00 53.13 C ATOM 393 O ARG A 24 4.617 -8.391 -2.613 1.00 13.21 O ATOM 394 CB ARG A 24 3.787 -8.110 -5.562 1.00 0.12 C ATOM 395 CG ARG A 24 5.173 -8.448 -6.171 1.00 23.40 C ATOM 396 CD ARG A 24 5.742 -7.337 -7.076 1.00 20.13 C ATOM 397 NE ARG A 24 5.094 -7.275 -8.405 1.00 20.35 N ATOM 398 CZ ARG A 24 5.647 -6.701 -9.491 1.00 72.32 C ATOM 399 NH1 ARG A 24 6.848 -6.142 -9.411 1.00 40.15 N ATOM 400 NH2 ARG A 24 5.002 -6.714 -10.650 1.00 62.34 N ATOM 0 H ARG A 24 1.957 -7.661 -3.836 1.00 14.10 H new ATOM 0 HA ARG A 24 3.104 -10.068 -5.024 1.00 54.42 H new ATOM 0 HB2 ARG A 24 3.051 -8.059 -6.364 1.00 0.12 H new ATOM 0 HB3 ARG A 24 3.832 -7.120 -5.107 1.00 0.12 H new ATOM 0 HG2 ARG A 24 5.878 -8.641 -5.362 1.00 23.40 H new ATOM 0 HG3 ARG A 24 5.091 -9.368 -6.749 1.00 23.40 H new ATOM 0 HD2 ARG A 24 5.624 -6.375 -6.577 1.00 20.13 H new ATOM 0 HD3 ARG A 24 6.812 -7.498 -7.208 1.00 20.13 H new ATOM 0 HE ARG A 24 4.169 -7.694 -8.505 1.00 20.35 H new ATOM 0 HH11 ARG A 24 7.355 -6.146 -8.526 1.00 40.15 H new ATOM 0 HH12 ARG A 24 7.264 -5.708 -10.235 1.00 40.15 H new ATOM 0 HH21 ARG A 24 4.087 -7.159 -10.719 1.00 62.34 H new ATOM 0 HH22 ARG A 24 5.421 -6.279 -11.472 1.00 62.34 H new ATOM 414 N SER A 25 4.995 -10.502 -3.366 1.00 3.52 N ATOM 415 CA SER A 25 5.960 -10.862 -2.320 1.00 63.41 C ATOM 416 C SER A 25 7.288 -10.108 -2.521 1.00 53.40 C ATOM 417 O SER A 25 7.756 -9.950 -3.659 1.00 24.34 O ATOM 418 CB SER A 25 6.169 -12.390 -2.341 1.00 1.44 C ATOM 419 OG SER A 25 6.506 -12.840 -3.641 1.00 60.52 O ATOM 0 H SER A 25 4.845 -11.236 -4.058 1.00 3.52 H new ATOM 0 HA SER A 25 5.572 -10.570 -1.344 1.00 63.41 H new ATOM 0 HB2 SER A 25 6.960 -12.662 -1.642 1.00 1.44 H new ATOM 0 HB3 SER A 25 5.261 -12.889 -2.004 1.00 1.44 H new ATOM 0 HG SER A 25 5.691 -13.103 -4.117 1.00 60.52 H new ATOM 583 N ASN A 35 5.405 -13.948 -6.306 1.00 21.23 N ATOM 584 CA ASN A 35 4.031 -14.436 -6.492 1.00 64.52 C ATOM 585 C ASN A 35 3.041 -13.529 -5.764 1.00 74.12 C ATOM 586 O ASN A 35 3.410 -12.767 -4.859 1.00 64.55 O ATOM 587 CB ASN A 35 3.892 -15.890 -5.995 1.00 73.12 C ATOM 588 CG ASN A 35 4.739 -16.871 -6.801 1.00 41.22 C ATOM 589 OD1 ASN A 35 5.894 -17.137 -6.464 1.00 14.34 O ATOM 590 ND2 ASN A 35 4.181 -17.395 -7.884 1.00 65.42 N ATOM 0 HA ASN A 35 3.805 -14.417 -7.558 1.00 64.52 H new ATOM 0 HB2 ASN A 35 4.184 -15.941 -4.946 1.00 73.12 H new ATOM 0 HB3 ASN A 35 2.845 -16.190 -6.049 1.00 73.12 H new ATOM 0 HD21 ASN A 35 4.711 -18.041 -8.469 1.00 65.42 H new ATOM 0 HD22 ASN A 35 3.222 -17.152 -8.132 1.00 65.42 H new ATOM 597 N TYR A 36 1.777 -13.627 -6.186 1.00 43.15 N ATOM 598 CA TYR A 36 0.693 -12.791 -5.684 1.00 24.45 C ATOM 599 C TYR A 36 -0.203 -13.652 -4.789 1.00 54.32 C ATOM 600 O TYR A 36 -0.953 -14.508 -5.276 1.00 64.12 O ATOM 601 CB TYR A 36 -0.065 -12.162 -6.880 1.00 52.32 C ATOM 602 CG TYR A 36 0.833 -11.255 -7.751 1.00 4.40 C ATOM 603 CD1 TYR A 36 1.794 -11.801 -8.607 1.00 32.00 C ATOM 604 CD2 TYR A 36 0.736 -9.870 -7.698 1.00 33.20 C ATOM 605 CE1 TYR A 36 2.612 -11.000 -9.372 1.00 12.22 C ATOM 606 CE2 TYR A 36 1.553 -9.069 -8.467 1.00 3.04 C ATOM 607 CZ TYR A 36 2.483 -9.633 -9.295 1.00 10.54 C ATOM 608 OH TYR A 36 3.284 -8.820 -10.060 1.00 13.40 O ATOM 0 H TYR A 36 1.479 -14.298 -6.894 1.00 43.15 H new ATOM 0 HA TYR A 36 1.068 -11.964 -5.081 1.00 24.45 H new ATOM 0 HB2 TYR A 36 -0.479 -12.957 -7.500 1.00 52.32 H new ATOM 0 HB3 TYR A 36 -0.906 -11.579 -6.505 1.00 52.32 H new ATOM 0 HD1 TYR A 36 1.897 -12.874 -8.670 1.00 32.00 H new ATOM 0 HD2 TYR A 36 0.008 -9.413 -7.043 1.00 33.20 H new ATOM 0 HE1 TYR A 36 3.349 -11.441 -10.027 1.00 12.22 H new ATOM 0 HE2 TYR A 36 1.458 -7.994 -8.415 1.00 3.04 H new ATOM 0 HH TYR A 36 2.849 -8.648 -10.921 1.00 13.40 H new ATOM 618 N LYS A 37 -0.071 -13.446 -3.468 1.00 32.41 N ATOM 619 CA LYS A 37 -0.696 -14.309 -2.451 1.00 33.43 C ATOM 620 C LYS A 37 -1.701 -13.499 -1.612 1.00 1.23 C ATOM 621 O LYS A 37 -1.434 -12.347 -1.235 1.00 70.23 O ATOM 622 CB LYS A 37 0.404 -14.946 -1.554 1.00 53.11 C ATOM 623 CG LYS A 37 -0.079 -16.118 -0.665 1.00 2.42 C ATOM 624 CD LYS A 37 -0.546 -17.338 -1.483 1.00 31.11 C ATOM 625 CE LYS A 37 -1.149 -18.451 -0.604 1.00 73.05 C ATOM 626 NZ LYS A 37 -1.779 -19.514 -1.429 1.00 72.14 N ATOM 0 H LYS A 37 0.472 -12.677 -3.075 1.00 32.41 H new ATOM 0 HA LYS A 37 -1.243 -15.112 -2.944 1.00 33.43 H new ATOM 0 HB2 LYS A 37 1.212 -15.303 -2.193 1.00 53.11 H new ATOM 0 HB3 LYS A 37 0.823 -14.171 -0.912 1.00 53.11 H new ATOM 0 HG2 LYS A 37 0.730 -16.421 -0.000 1.00 2.42 H new ATOM 0 HG3 LYS A 37 -0.899 -15.775 -0.034 1.00 2.42 H new ATOM 0 HD2 LYS A 37 -1.288 -17.017 -2.214 1.00 31.11 H new ATOM 0 HD3 LYS A 37 0.299 -17.740 -2.042 1.00 31.11 H new ATOM 0 HE2 LYS A 37 -0.368 -18.887 0.019 1.00 73.05 H new ATOM 0 HE3 LYS A 37 -1.892 -18.023 0.069 1.00 73.05 H new ATOM 0 HZ1 LYS A 37 -2.175 -20.247 -0.807 1.00 72.14 H new ATOM 0 HZ2 LYS A 37 -2.540 -19.101 -2.005 1.00 72.14 H new ATOM 0 HZ3 LYS A 37 -1.064 -19.939 -2.053 1.00 72.14 H new ATOM 640 N GLU A 38 -2.822 -14.156 -1.271 1.00 64.43 N ATOM 641 CA GLU A 38 -4.016 -13.523 -0.679 1.00 52.21 C ATOM 642 C GLU A 38 -3.981 -13.660 0.850 1.00 4.14 C ATOM 643 O GLU A 38 -3.583 -14.713 1.341 1.00 4.03 O ATOM 644 CB GLU A 38 -5.272 -14.227 -1.261 1.00 50.22 C ATOM 645 CG GLU A 38 -6.621 -13.704 -0.752 1.00 4.24 C ATOM 646 CD GLU A 38 -7.810 -14.614 -1.130 1.00 23.11 C ATOM 647 OE1 GLU A 38 -8.417 -14.427 -2.199 1.00 24.42 O ATOM 648 OE2 GLU A 38 -8.137 -15.540 -0.352 1.00 55.23 O ATOM 0 H GLU A 38 -2.927 -15.162 -1.401 1.00 64.43 H new ATOM 0 HA GLU A 38 -4.042 -12.460 -0.919 1.00 52.21 H new ATOM 0 HB2 GLU A 38 -5.251 -14.129 -2.346 1.00 50.22 H new ATOM 0 HB3 GLU A 38 -5.207 -15.291 -1.036 1.00 50.22 H new ATOM 0 HG2 GLU A 38 -6.579 -13.605 0.333 1.00 4.24 H new ATOM 0 HG3 GLU A 38 -6.793 -12.707 -1.157 1.00 4.24 H new ATOM 655 N ARG A 39 -4.420 -12.603 1.580 1.00 41.33 N ATOM 656 CA ARG A 39 -4.432 -12.561 3.067 1.00 12.45 C ATOM 657 C ARG A 39 -5.488 -11.568 3.592 1.00 33.50 C ATOM 658 O ARG A 39 -6.013 -10.751 2.837 1.00 72.35 O ATOM 659 CB ARG A 39 -3.030 -12.198 3.674 1.00 2.12 C ATOM 660 CG ARG A 39 -1.985 -13.344 3.720 1.00 15.32 C ATOM 661 CD ARG A 39 -2.412 -14.540 4.598 1.00 25.21 C ATOM 662 NE ARG A 39 -3.376 -15.453 3.941 1.00 33.03 N ATOM 663 CZ ARG A 39 -4.593 -15.829 4.421 1.00 72.42 C ATOM 664 NH1 ARG A 39 -5.054 -15.366 5.571 1.00 31.51 N ATOM 665 NH2 ARG A 39 -5.346 -16.654 3.725 1.00 65.23 N ATOM 0 H ARG A 39 -4.778 -11.750 1.151 1.00 41.33 H new ATOM 0 HA ARG A 39 -4.689 -13.569 3.391 1.00 12.45 H new ATOM 0 HB2 ARG A 39 -2.610 -11.374 3.097 1.00 2.12 H new ATOM 0 HB3 ARG A 39 -3.181 -11.831 4.689 1.00 2.12 H new ATOM 0 HG2 ARG A 39 -1.802 -13.697 2.705 1.00 15.32 H new ATOM 0 HG3 ARG A 39 -1.041 -12.948 4.095 1.00 15.32 H new ATOM 0 HD2 ARG A 39 -1.524 -15.106 4.880 1.00 25.21 H new ATOM 0 HD3 ARG A 39 -2.855 -14.162 5.519 1.00 25.21 H new ATOM 0 HE ARG A 39 -3.100 -15.839 3.038 1.00 33.03 H new ATOM 0 HH11 ARG A 39 -4.494 -14.712 6.119 1.00 31.51 H new ATOM 0 HH12 ARG A 39 -5.969 -15.662 5.910 1.00 31.51 H new ATOM 0 HH21 ARG A 39 -5.017 -17.010 2.828 1.00 65.23 H new ATOM 0 HH22 ARG A 39 -6.258 -16.937 4.083 1.00 65.23 H new ATOM 679 N LEU A 40 -5.756 -11.642 4.916 1.00 51.24 N ATOM 680 CA LEU A 40 -6.680 -10.729 5.612 1.00 13.52 C ATOM 681 C LEU A 40 -5.854 -9.671 6.351 1.00 63.25 C ATOM 682 O LEU A 40 -5.163 -9.987 7.322 1.00 2.31 O ATOM 683 CB LEU A 40 -7.583 -11.499 6.619 1.00 41.05 C ATOM 684 CG LEU A 40 -8.488 -10.617 7.552 1.00 2.22 C ATOM 685 CD1 LEU A 40 -9.446 -9.699 6.743 1.00 45.20 C ATOM 686 CD2 LEU A 40 -9.268 -11.494 8.563 1.00 74.42 C ATOM 0 H LEU A 40 -5.335 -12.340 5.529 1.00 51.24 H new ATOM 0 HA LEU A 40 -7.334 -10.256 4.879 1.00 13.52 H new ATOM 0 HB2 LEU A 40 -8.227 -12.174 6.055 1.00 41.05 H new ATOM 0 HB3 LEU A 40 -6.944 -12.119 7.248 1.00 41.05 H new ATOM 0 HG LEU A 40 -7.824 -9.962 8.116 1.00 2.22 H new ATOM 0 HD11 LEU A 40 -10.051 -9.109 7.431 1.00 45.20 H new ATOM 0 HD12 LEU A 40 -8.862 -9.032 6.109 1.00 45.20 H new ATOM 0 HD13 LEU A 40 -10.098 -10.312 6.121 1.00 45.20 H new ATOM 0 HD21 LEU A 40 -9.886 -10.857 9.196 1.00 74.42 H new ATOM 0 HD22 LEU A 40 -9.904 -12.195 8.022 1.00 74.42 H new ATOM 0 HD23 LEU A 40 -8.564 -12.048 9.183 1.00 74.42 H new ATOM 698 N PHE A 41 -5.916 -8.431 5.864 1.00 11.24 N ATOM 699 CA PHE A 41 -5.268 -7.279 6.504 1.00 40.54 C ATOM 700 C PHE A 41 -6.164 -6.707 7.598 1.00 51.21 C ATOM 701 O PHE A 41 -7.383 -6.675 7.450 1.00 22.40 O ATOM 702 CB PHE A 41 -4.969 -6.178 5.461 1.00 5.10 C ATOM 703 CG PHE A 41 -3.763 -6.459 4.560 1.00 11.32 C ATOM 704 CD1 PHE A 41 -3.722 -7.580 3.732 1.00 32.12 C ATOM 705 CD2 PHE A 41 -2.672 -5.596 4.546 1.00 30.01 C ATOM 706 CE1 PHE A 41 -2.635 -7.814 2.913 1.00 5.45 C ATOM 707 CE2 PHE A 41 -1.590 -5.830 3.729 1.00 30.14 C ATOM 708 CZ PHE A 41 -1.569 -6.937 2.917 1.00 42.22 C ATOM 0 H PHE A 41 -6.420 -8.193 5.009 1.00 11.24 H new ATOM 0 HA PHE A 41 -4.331 -7.619 6.945 1.00 40.54 H new ATOM 0 HB2 PHE A 41 -5.850 -6.042 4.834 1.00 5.10 H new ATOM 0 HB3 PHE A 41 -4.802 -5.237 5.984 1.00 5.10 H new ATOM 0 HD1 PHE A 41 -4.550 -8.273 3.731 1.00 32.12 H new ATOM 0 HD2 PHE A 41 -2.674 -4.727 5.188 1.00 30.01 H new ATOM 0 HE1 PHE A 41 -2.619 -8.682 2.270 1.00 5.45 H new ATOM 0 HE2 PHE A 41 -0.757 -5.143 3.726 1.00 30.14 H new ATOM 0 HZ PHE A 41 -0.717 -7.122 2.280 1.00 42.22 H new ATOM 718 N VAL A 42 -5.533 -6.278 8.698 1.00 54.42 N ATOM 719 CA VAL A 42 -6.177 -5.529 9.782 1.00 63.14 C ATOM 720 C VAL A 42 -5.338 -4.261 10.025 1.00 12.55 C ATOM 721 O VAL A 42 -4.158 -4.344 10.400 1.00 4.21 O ATOM 722 CB VAL A 42 -6.295 -6.381 11.108 1.00 23.30 C ATOM 723 CG1 VAL A 42 -6.940 -5.558 12.255 1.00 75.35 C ATOM 724 CG2 VAL A 42 -7.076 -7.699 10.853 1.00 51.00 C ATOM 0 H VAL A 42 -4.540 -6.446 8.862 1.00 54.42 H new ATOM 0 HA VAL A 42 -7.197 -5.275 9.493 1.00 63.14 H new ATOM 0 HB VAL A 42 -5.286 -6.645 11.424 1.00 23.30 H new ATOM 0 HG11 VAL A 42 -7.006 -6.174 13.152 1.00 75.35 H new ATOM 0 HG12 VAL A 42 -6.328 -4.680 12.462 1.00 75.35 H new ATOM 0 HG13 VAL A 42 -7.940 -5.241 11.958 1.00 75.35 H new ATOM 0 HG21 VAL A 42 -7.143 -8.267 11.781 1.00 51.00 H new ATOM 0 HG22 VAL A 42 -8.079 -7.464 10.497 1.00 51.00 H new ATOM 0 HG23 VAL A 42 -6.554 -8.292 10.102 1.00 51.00 H new ATOM 734 N LEU A 43 -5.949 -3.098 9.781 1.00 62.13 N ATOM 735 CA LEU A 43 -5.280 -1.793 9.876 1.00 10.41 C ATOM 736 C LEU A 43 -5.681 -1.100 11.180 1.00 12.21 C ATOM 737 O LEU A 43 -6.861 -0.865 11.419 1.00 10.35 O ATOM 738 CB LEU A 43 -5.675 -0.915 8.652 1.00 13.42 C ATOM 739 CG LEU A 43 -5.137 0.549 8.637 1.00 14.22 C ATOM 740 CD1 LEU A 43 -3.587 0.598 8.673 1.00 34.42 C ATOM 741 CD2 LEU A 43 -5.709 1.344 7.430 1.00 1.22 C ATOM 0 H LEU A 43 -6.930 -3.033 9.510 1.00 62.13 H new ATOM 0 HA LEU A 43 -4.199 -1.936 9.874 1.00 10.41 H new ATOM 0 HB2 LEU A 43 -5.327 -1.415 7.748 1.00 13.42 H new ATOM 0 HB3 LEU A 43 -6.763 -0.878 8.597 1.00 13.42 H new ATOM 0 HG LEU A 43 -5.488 1.034 9.548 1.00 14.22 H new ATOM 0 HD11 LEU A 43 -3.255 1.636 8.661 1.00 34.42 H new ATOM 0 HD12 LEU A 43 -3.229 0.113 9.581 1.00 34.42 H new ATOM 0 HD13 LEU A 43 -3.186 0.079 7.802 1.00 34.42 H new ATOM 0 HD21 LEU A 43 -5.317 2.361 7.445 1.00 1.22 H new ATOM 0 HD22 LEU A 43 -5.415 0.856 6.501 1.00 1.22 H new ATOM 0 HD23 LEU A 43 -6.797 1.374 7.496 1.00 1.22 H new ATOM 753 N THR A 44 -4.686 -0.816 12.021 1.00 2.13 N ATOM 754 CA THR A 44 -4.823 0.030 13.217 1.00 24.32 C ATOM 755 C THR A 44 -3.930 1.267 13.035 1.00 52.12 C ATOM 756 O THR A 44 -3.092 1.299 12.122 1.00 62.24 O ATOM 757 CB THR A 44 -4.414 -0.741 14.522 1.00 70.33 C ATOM 758 OG1 THR A 44 -3.049 -1.190 14.434 1.00 74.42 O ATOM 759 CG2 THR A 44 -5.341 -1.945 14.786 1.00 13.44 C ATOM 0 H THR A 44 -3.740 -1.173 11.891 1.00 2.13 H new ATOM 0 HA THR A 44 -5.867 0.322 13.329 1.00 24.32 H new ATOM 0 HB THR A 44 -4.514 -0.046 15.356 1.00 70.33 H new ATOM 0 HG1 THR A 44 -2.790 -1.268 13.492 1.00 74.42 H new ATOM 0 HG21 THR A 44 -5.026 -2.453 15.697 1.00 13.44 H new ATOM 0 HG22 THR A 44 -6.367 -1.596 14.901 1.00 13.44 H new ATOM 0 HG23 THR A 44 -5.286 -2.638 13.946 1.00 13.44 H new ATOM 767 N LYS A 45 -4.104 2.276 13.905 1.00 13.20 N ATOM 768 CA LYS A 45 -3.333 3.539 13.832 1.00 35.11 C ATOM 769 C LYS A 45 -1.847 3.333 14.186 1.00 64.54 C ATOM 770 O LYS A 45 -1.006 4.185 13.871 1.00 51.21 O ATOM 771 CB LYS A 45 -3.954 4.626 14.752 1.00 41.55 C ATOM 772 CG LYS A 45 -5.426 4.968 14.441 1.00 24.32 C ATOM 773 CD LYS A 45 -5.972 6.140 15.295 1.00 54.53 C ATOM 774 CE LYS A 45 -5.215 7.461 15.060 1.00 43.42 C ATOM 775 NZ LYS A 45 -5.277 7.901 13.642 1.00 23.14 N ATOM 0 H LYS A 45 -4.775 2.245 14.673 1.00 13.20 H new ATOM 0 HA LYS A 45 -3.385 3.879 12.798 1.00 35.11 H new ATOM 0 HB2 LYS A 45 -3.884 4.291 15.787 1.00 41.55 H new ATOM 0 HB3 LYS A 45 -3.359 5.535 14.670 1.00 41.55 H new ATOM 0 HG2 LYS A 45 -5.518 5.222 13.385 1.00 24.32 H new ATOM 0 HG3 LYS A 45 -6.042 4.085 14.611 1.00 24.32 H new ATOM 0 HD2 LYS A 45 -7.028 6.287 15.067 1.00 54.53 H new ATOM 0 HD3 LYS A 45 -5.908 5.874 16.350 1.00 54.53 H new ATOM 0 HE2 LYS A 45 -5.637 8.238 15.698 1.00 43.42 H new ATOM 0 HE3 LYS A 45 -4.173 7.338 15.355 1.00 43.42 H new ATOM 0 HZ1 LYS A 45 -4.920 8.875 13.565 1.00 23.14 H new ATOM 0 HZ2 LYS A 45 -4.692 7.271 13.057 1.00 23.14 H new ATOM 0 HZ3 LYS A 45 -6.262 7.866 13.310 1.00 23.14 H new ATOM 789 N SER A 46 -1.532 2.213 14.854 1.00 0.34 N ATOM 790 CA SER A 46 -0.153 1.886 15.234 1.00 51.30 C ATOM 791 C SER A 46 0.523 0.987 14.179 1.00 51.12 C ATOM 792 O SER A 46 1.684 1.225 13.822 1.00 63.45 O ATOM 793 CB SER A 46 -0.153 1.189 16.616 1.00 11.40 C ATOM 794 OG SER A 46 -0.778 2.006 17.601 1.00 34.44 O ATOM 0 H SER A 46 -2.219 1.516 15.143 1.00 0.34 H new ATOM 0 HA SER A 46 0.420 2.812 15.291 1.00 51.30 H new ATOM 0 HB2 SER A 46 -0.675 0.235 16.546 1.00 11.40 H new ATOM 0 HB3 SER A 46 0.872 0.970 16.917 1.00 11.40 H new ATOM 0 HG SER A 46 -0.767 1.543 18.465 1.00 34.44 H new ATOM 800 N MET A 47 -0.225 -0.002 13.635 1.00 63.33 N ATOM 801 CA MET A 47 0.353 -1.050 12.743 1.00 25.54 C ATOM 802 C MET A 47 -0.661 -1.546 11.696 1.00 72.22 C ATOM 803 O MET A 47 -1.864 -1.601 11.937 1.00 70.33 O ATOM 804 CB MET A 47 0.858 -2.285 13.564 1.00 75.34 C ATOM 805 CG MET A 47 2.090 -2.046 14.451 1.00 64.33 C ATOM 806 SD MET A 47 2.515 -3.497 15.450 1.00 25.12 S ATOM 807 CE MET A 47 1.019 -3.713 16.421 1.00 44.22 C ATOM 0 H MET A 47 -1.228 -0.101 13.794 1.00 63.33 H new ATOM 0 HA MET A 47 1.191 -0.577 12.231 1.00 25.54 H new ATOM 0 HB2 MET A 47 0.042 -2.634 14.196 1.00 75.34 H new ATOM 0 HB3 MET A 47 1.088 -3.091 12.867 1.00 75.34 H new ATOM 0 HG2 MET A 47 2.940 -1.779 13.823 1.00 64.33 H new ATOM 0 HG3 MET A 47 1.901 -1.198 15.109 1.00 64.33 H new ATOM 0 HE1 MET A 47 1.256 -4.251 17.339 1.00 44.22 H new ATOM 0 HE2 MET A 47 0.602 -2.737 16.669 1.00 44.22 H new ATOM 0 HE3 MET A 47 0.290 -4.283 15.844 1.00 44.22 H new ATOM 817 N LEU A 48 -0.125 -1.919 10.529 1.00 71.54 N ATOM 818 CA LEU A 48 -0.835 -2.683 9.501 1.00 21.52 C ATOM 819 C LEU A 48 -0.312 -4.131 9.548 1.00 41.23 C ATOM 820 O LEU A 48 0.833 -4.398 9.155 1.00 4.15 O ATOM 821 CB LEU A 48 -0.590 -2.043 8.106 1.00 33.50 C ATOM 822 CG LEU A 48 -1.259 -2.758 6.884 1.00 51.55 C ATOM 823 CD1 LEU A 48 -2.803 -2.798 7.019 1.00 3.15 C ATOM 824 CD2 LEU A 48 -0.820 -2.101 5.542 1.00 42.31 C ATOM 0 H LEU A 48 0.835 -1.693 10.269 1.00 71.54 H new ATOM 0 HA LEU A 48 -1.910 -2.676 9.682 1.00 21.52 H new ATOM 0 HB2 LEU A 48 -0.946 -1.013 8.136 1.00 33.50 H new ATOM 0 HB3 LEU A 48 0.485 -2.004 7.932 1.00 33.50 H new ATOM 0 HG LEU A 48 -0.912 -3.791 6.877 1.00 51.55 H new ATOM 0 HD11 LEU A 48 -3.231 -3.302 6.152 1.00 3.15 H new ATOM 0 HD12 LEU A 48 -3.075 -3.340 7.925 1.00 3.15 H new ATOM 0 HD13 LEU A 48 -3.190 -1.780 7.075 1.00 3.15 H new ATOM 0 HD21 LEU A 48 -1.299 -2.617 4.710 1.00 42.31 H new ATOM 0 HD22 LEU A 48 -1.116 -1.052 5.537 1.00 42.31 H new ATOM 0 HD23 LEU A 48 0.263 -2.173 5.438 1.00 42.31 H new ATOM 836 N THR A 49 -1.133 -5.054 10.082 1.00 12.24 N ATOM 837 CA THR A 49 -0.747 -6.473 10.249 1.00 54.45 C ATOM 838 C THR A 49 -1.759 -7.391 9.542 1.00 4.42 C ATOM 839 O THR A 49 -2.965 -7.265 9.765 1.00 52.32 O ATOM 840 CB THR A 49 -0.667 -6.858 11.772 1.00 40.42 C ATOM 841 OG1 THR A 49 0.211 -5.948 12.463 1.00 70.14 O ATOM 842 CG2 THR A 49 -0.167 -8.312 11.989 1.00 21.32 C ATOM 0 H THR A 49 -2.076 -4.843 10.408 1.00 12.24 H new ATOM 0 HA THR A 49 0.237 -6.606 9.800 1.00 54.45 H new ATOM 0 HB THR A 49 -1.678 -6.789 12.173 1.00 40.42 H new ATOM 0 HG1 THR A 49 0.255 -6.192 13.411 1.00 70.14 H new ATOM 0 HG21 THR A 49 -0.130 -8.528 13.057 1.00 21.32 H new ATOM 0 HG22 THR A 49 -0.850 -9.008 11.501 1.00 21.32 H new ATOM 0 HG23 THR A 49 0.830 -8.422 11.561 1.00 21.32 H new ATOM 850 N TYR A 50 -1.260 -8.312 8.690 1.00 22.34 N ATOM 851 CA TYR A 50 -2.099 -9.315 8.007 1.00 44.11 C ATOM 852 C TYR A 50 -1.937 -10.701 8.660 1.00 11.23 C ATOM 853 O TYR A 50 -0.824 -11.113 9.013 1.00 22.41 O ATOM 854 CB TYR A 50 -1.801 -9.360 6.480 1.00 61.30 C ATOM 855 CG TYR A 50 -0.310 -9.407 6.078 1.00 73.53 C ATOM 856 CD1 TYR A 50 0.370 -10.621 5.920 1.00 4.22 C ATOM 857 CD2 TYR A 50 0.410 -8.231 5.835 1.00 63.33 C ATOM 858 CE1 TYR A 50 1.696 -10.653 5.538 1.00 13.23 C ATOM 859 CE2 TYR A 50 1.735 -8.265 5.457 1.00 21.33 C ATOM 860 CZ TYR A 50 2.373 -9.473 5.310 1.00 14.04 C ATOM 861 OH TYR A 50 3.689 -9.503 4.914 1.00 72.14 O ATOM 0 H TYR A 50 -0.269 -8.380 8.458 1.00 22.34 H new ATOM 0 HA TYR A 50 -3.141 -9.016 8.121 1.00 44.11 H new ATOM 0 HB2 TYR A 50 -2.297 -10.235 6.060 1.00 61.30 H new ATOM 0 HB3 TYR A 50 -2.254 -8.483 6.016 1.00 61.30 H new ATOM 0 HD1 TYR A 50 -0.152 -11.549 6.100 1.00 4.22 H new ATOM 0 HD2 TYR A 50 -0.083 -7.277 5.946 1.00 63.33 H new ATOM 0 HE1 TYR A 50 2.202 -11.599 5.418 1.00 13.23 H new ATOM 0 HE2 TYR A 50 2.270 -7.345 5.277 1.00 21.33 H new ATOM 0 HH TYR A 50 4.016 -8.587 4.796 1.00 72.14 H new ATOM 871 N TYR A 51 -3.077 -11.391 8.833 1.00 23.42 N ATOM 872 CA TYR A 51 -3.149 -12.724 9.467 1.00 53.54 C ATOM 873 C TYR A 51 -3.390 -13.822 8.436 1.00 24.14 C ATOM 874 O TYR A 51 -3.924 -13.564 7.357 1.00 23.15 O ATOM 875 CB TYR A 51 -4.301 -12.726 10.502 1.00 25.52 C ATOM 876 CG TYR A 51 -4.065 -11.742 11.655 1.00 2.52 C ATOM 877 CD1 TYR A 51 -3.324 -12.122 12.773 1.00 22.31 C ATOM 878 CD2 TYR A 51 -4.536 -10.423 11.605 1.00 64.23 C ATOM 879 CE1 TYR A 51 -3.071 -11.237 13.792 1.00 20.33 C ATOM 880 CE2 TYR A 51 -4.268 -9.534 12.625 1.00 32.22 C ATOM 881 CZ TYR A 51 -3.538 -9.950 13.715 1.00 24.12 C ATOM 882 OH TYR A 51 -3.258 -9.067 14.730 1.00 23.30 O ATOM 0 H TYR A 51 -3.986 -11.037 8.534 1.00 23.42 H new ATOM 0 HA TYR A 51 -2.196 -12.926 9.955 1.00 53.54 H new ATOM 0 HB2 TYR A 51 -5.235 -12.473 10.000 1.00 25.52 H new ATOM 0 HB3 TYR A 51 -4.418 -13.731 10.906 1.00 25.52 H new ATOM 0 HD1 TYR A 51 -2.942 -13.130 12.839 1.00 22.31 H new ATOM 0 HD2 TYR A 51 -5.118 -10.098 10.755 1.00 64.23 H new ATOM 0 HE1 TYR A 51 -2.504 -11.555 14.654 1.00 20.33 H new ATOM 0 HE2 TYR A 51 -4.629 -8.518 12.569 1.00 32.22 H new ATOM 0 HH TYR A 51 -3.658 -8.196 14.526 1.00 23.30 H new ATOM 1081 N PHE A 63 4.733 -7.246 8.939 1.00 73.35 N ATOM 1082 CA PHE A 63 3.820 -6.184 9.369 1.00 11.22 C ATOM 1083 C PHE A 63 4.600 -4.875 9.483 1.00 63.41 C ATOM 1084 O PHE A 63 5.805 -4.869 9.766 1.00 43.02 O ATOM 1085 CB PHE A 63 3.112 -6.544 10.712 1.00 34.50 C ATOM 1086 CG PHE A 63 4.008 -6.648 11.964 1.00 73.34 C ATOM 1087 CD1 PHE A 63 4.735 -7.806 12.236 1.00 2.01 C ATOM 1088 CD2 PHE A 63 4.100 -5.590 12.876 1.00 70.43 C ATOM 1089 CE1 PHE A 63 5.522 -7.904 13.371 1.00 51.43 C ATOM 1090 CE2 PHE A 63 4.889 -5.690 14.006 1.00 11.02 C ATOM 1091 CZ PHE A 63 5.601 -6.847 14.253 1.00 54.31 C ATOM 0 HA PHE A 63 3.032 -6.069 8.625 1.00 11.22 H new ATOM 0 HB2 PHE A 63 2.346 -5.793 10.904 1.00 34.50 H new ATOM 0 HB3 PHE A 63 2.599 -7.497 10.581 1.00 34.50 H new ATOM 0 HD1 PHE A 63 4.684 -8.639 11.551 1.00 2.01 H new ATOM 0 HD2 PHE A 63 3.546 -4.681 12.694 1.00 70.43 H new ATOM 0 HE1 PHE A 63 6.075 -8.811 13.566 1.00 51.43 H new ATOM 0 HE2 PHE A 63 4.949 -4.862 14.697 1.00 11.02 H new ATOM 0 HZ PHE A 63 6.219 -6.924 15.136 1.00 54.31 H new ATOM 1101 N ILE A 64 3.892 -3.767 9.276 1.00 10.53 N ATOM 1102 CA ILE A 64 4.498 -2.439 9.102 1.00 13.25 C ATOM 1103 C ILE A 64 3.936 -1.514 10.186 1.00 61.55 C ATOM 1104 O ILE A 64 2.746 -1.588 10.490 1.00 65.24 O ATOM 1105 CB ILE A 64 4.176 -1.846 7.663 1.00 74.31 C ATOM 1106 CG1 ILE A 64 4.536 -2.870 6.529 1.00 23.54 C ATOM 1107 CG2 ILE A 64 4.921 -0.500 7.438 1.00 71.44 C ATOM 1108 CD1 ILE A 64 4.103 -2.452 5.132 1.00 44.44 C ATOM 0 H ILE A 64 2.873 -3.760 9.223 1.00 10.53 H new ATOM 0 HA ILE A 64 5.581 -2.520 9.190 1.00 13.25 H new ATOM 0 HB ILE A 64 3.103 -1.658 7.618 1.00 74.31 H new ATOM 0 HG12 ILE A 64 5.615 -3.026 6.528 1.00 23.54 H new ATOM 0 HG13 ILE A 64 4.075 -3.829 6.765 1.00 23.54 H new ATOM 0 HG21 ILE A 64 4.684 -0.115 6.446 1.00 71.44 H new ATOM 0 HG22 ILE A 64 4.606 0.221 8.192 1.00 71.44 H new ATOM 0 HG23 ILE A 64 5.996 -0.661 7.517 1.00 71.44 H new ATOM 0 HD11 ILE A 64 4.394 -3.220 4.416 1.00 44.44 H new ATOM 0 HD12 ILE A 64 3.021 -2.326 5.109 1.00 44.44 H new ATOM 0 HD13 ILE A 64 4.584 -1.510 4.869 1.00 44.44 H new ATOM 1120 N ASP A 65 4.786 -0.659 10.765 1.00 63.53 N ATOM 1121 CA ASP A 65 4.324 0.411 11.666 1.00 50.31 C ATOM 1122 C ASP A 65 3.843 1.554 10.766 1.00 72.51 C ATOM 1123 O ASP A 65 4.511 1.863 9.771 1.00 21.04 O ATOM 1124 CB ASP A 65 5.464 0.915 12.586 1.00 52.32 C ATOM 1125 CG ASP A 65 6.251 -0.217 13.266 1.00 75.04 C ATOM 1126 OD1 ASP A 65 5.825 -0.714 14.334 1.00 60.50 O ATOM 1127 OD2 ASP A 65 7.306 -0.620 12.723 1.00 75.10 O ATOM 0 H ASP A 65 5.796 -0.684 10.628 1.00 63.53 H new ATOM 0 HA ASP A 65 3.533 0.040 12.317 1.00 50.31 H new ATOM 0 HB2 ASP A 65 6.152 1.523 11.998 1.00 52.32 H new ATOM 0 HB3 ASP A 65 5.041 1.564 13.353 1.00 52.32 H new ATOM 1132 N VAL A 66 2.702 2.175 11.103 1.00 12.53 N ATOM 1133 CA VAL A 66 2.134 3.295 10.317 1.00 74.14 C ATOM 1134 C VAL A 66 3.087 4.516 10.323 1.00 4.33 C ATOM 1135 O VAL A 66 3.147 5.273 9.349 1.00 52.43 O ATOM 1136 CB VAL A 66 0.690 3.678 10.828 1.00 53.41 C ATOM 1137 CG1 VAL A 66 0.100 4.849 10.004 1.00 22.10 C ATOM 1138 CG2 VAL A 66 -0.253 2.438 10.782 1.00 43.33 C ATOM 0 H VAL A 66 2.147 1.922 11.920 1.00 12.53 H new ATOM 0 HA VAL A 66 2.033 2.964 9.283 1.00 74.14 H new ATOM 0 HB VAL A 66 0.774 4.008 11.863 1.00 53.41 H new ATOM 0 HG11 VAL A 66 -0.895 5.092 10.377 1.00 22.10 H new ATOM 0 HG12 VAL A 66 0.746 5.722 10.098 1.00 22.10 H new ATOM 0 HG13 VAL A 66 0.033 4.559 8.956 1.00 22.10 H new ATOM 0 HG21 VAL A 66 -1.244 2.721 11.138 1.00 43.33 H new ATOM 0 HG22 VAL A 66 -0.326 2.074 9.757 1.00 43.33 H new ATOM 0 HG23 VAL A 66 0.150 1.651 11.419 1.00 43.33 H new ATOM 1148 N SER A 67 3.886 4.631 11.398 1.00 33.45 N ATOM 1149 CA SER A 67 4.893 5.699 11.558 1.00 3.23 C ATOM 1150 C SER A 67 6.099 5.484 10.617 1.00 1.31 C ATOM 1151 O SER A 67 6.807 6.433 10.289 1.00 33.13 O ATOM 1152 CB SER A 67 5.364 5.758 13.027 1.00 13.54 C ATOM 1153 OG SER A 67 4.263 5.918 13.910 1.00 41.00 O ATOM 0 H SER A 67 3.853 3.983 12.185 1.00 33.45 H new ATOM 0 HA SER A 67 4.428 6.647 11.289 1.00 3.23 H new ATOM 0 HB2 SER A 67 5.904 4.845 13.276 1.00 13.54 H new ATOM 0 HB3 SER A 67 6.061 6.586 13.156 1.00 13.54 H new ATOM 0 HG SER A 67 4.587 5.951 14.834 1.00 41.00 H new ATOM 1159 N LYS A 68 6.312 4.232 10.180 1.00 44.04 N ATOM 1160 CA LYS A 68 7.430 3.860 9.278 1.00 42.44 C ATOM 1161 C LYS A 68 7.063 4.128 7.810 1.00 62.14 C ATOM 1162 O LYS A 68 7.948 4.183 6.950 1.00 62.31 O ATOM 1163 CB LYS A 68 7.793 2.359 9.463 1.00 3.33 C ATOM 1164 CG LYS A 68 8.309 1.990 10.865 1.00 0.43 C ATOM 1165 CD LYS A 68 9.731 2.491 11.158 1.00 55.21 C ATOM 1166 CE LYS A 68 10.197 2.094 12.564 1.00 72.11 C ATOM 1167 NZ LYS A 68 10.122 0.624 12.788 1.00 64.21 N ATOM 0 H LYS A 68 5.718 3.444 10.438 1.00 44.04 H new ATOM 0 HA LYS A 68 8.293 4.474 9.538 1.00 42.44 H new ATOM 0 HB2 LYS A 68 6.911 1.757 9.245 1.00 3.33 H new ATOM 0 HB3 LYS A 68 8.552 2.090 8.729 1.00 3.33 H new ATOM 0 HG2 LYS A 68 7.629 2.401 11.611 1.00 0.43 H new ATOM 0 HG3 LYS A 68 8.287 0.906 10.976 1.00 0.43 H new ATOM 0 HD2 LYS A 68 10.420 2.083 10.418 1.00 55.21 H new ATOM 0 HD3 LYS A 68 9.762 3.576 11.058 1.00 55.21 H new ATOM 0 HE2 LYS A 68 11.223 2.431 12.713 1.00 72.11 H new ATOM 0 HE3 LYS A 68 9.583 2.605 13.306 1.00 72.11 H new ATOM 0 HZ1 LYS A 68 10.586 0.386 13.688 1.00 64.21 H new ATOM 0 HZ2 LYS A 68 9.125 0.329 12.823 1.00 64.21 H new ATOM 0 HZ3 LYS A 68 10.602 0.129 12.009 1.00 64.21 H new ATOM 1181 N ILE A 69 5.759 4.287 7.536 1.00 73.12 N ATOM 1182 CA ILE A 69 5.255 4.490 6.174 1.00 63.44 C ATOM 1183 C ILE A 69 5.543 5.928 5.701 1.00 75.23 C ATOM 1184 O ILE A 69 5.114 6.894 6.336 1.00 62.43 O ATOM 1185 CB ILE A 69 3.722 4.196 6.065 1.00 1.03 C ATOM 1186 CG1 ILE A 69 3.383 2.769 6.601 1.00 41.02 C ATOM 1187 CG2 ILE A 69 3.254 4.363 4.598 1.00 43.23 C ATOM 1188 CD1 ILE A 69 1.904 2.414 6.586 1.00 60.43 C ATOM 0 H ILE A 69 5.030 4.278 8.249 1.00 73.12 H new ATOM 0 HA ILE A 69 5.778 3.783 5.531 1.00 63.44 H new ATOM 0 HB ILE A 69 3.187 4.914 6.686 1.00 1.03 H new ATOM 0 HG12 ILE A 69 3.924 2.035 6.004 1.00 41.02 H new ATOM 0 HG13 ILE A 69 3.752 2.684 7.623 1.00 41.02 H new ATOM 0 HG21 ILE A 69 2.186 4.156 4.531 1.00 43.23 H new ATOM 0 HG22 ILE A 69 3.448 5.384 4.268 1.00 43.23 H new ATOM 0 HG23 ILE A 69 3.799 3.666 3.961 1.00 43.23 H new ATOM 0 HD11 ILE A 69 1.768 1.405 6.976 1.00 60.43 H new ATOM 0 HD12 ILE A 69 1.354 3.121 7.208 1.00 60.43 H new ATOM 0 HD13 ILE A 69 1.529 2.461 5.564 1.00 60.43 H new ATOM 1200 N LYS A 70 6.290 6.034 4.591 1.00 25.03 N ATOM 1201 CA LYS A 70 6.724 7.311 4.004 1.00 12.14 C ATOM 1202 C LYS A 70 5.843 7.719 2.800 1.00 71.33 C ATOM 1203 O LYS A 70 5.807 8.899 2.445 1.00 62.22 O ATOM 1204 CB LYS A 70 8.223 7.190 3.589 1.00 55.40 C ATOM 1205 CG LYS A 70 9.161 6.810 4.762 1.00 61.44 C ATOM 1206 CD LYS A 70 10.683 6.840 4.434 1.00 63.01 C ATOM 1207 CE LYS A 70 11.195 5.618 3.641 1.00 75.21 C ATOM 1208 NZ LYS A 70 10.724 5.584 2.228 1.00 61.35 N ATOM 0 H LYS A 70 6.615 5.221 4.068 1.00 25.03 H new ATOM 0 HA LYS A 70 6.613 8.099 4.749 1.00 12.14 H new ATOM 0 HB2 LYS A 70 8.315 6.440 2.803 1.00 55.40 H new ATOM 0 HB3 LYS A 70 8.552 8.138 3.164 1.00 55.40 H new ATOM 0 HG2 LYS A 70 8.972 7.491 5.592 1.00 61.44 H new ATOM 0 HG3 LYS A 70 8.900 5.809 5.105 1.00 61.44 H new ATOM 0 HD2 LYS A 70 10.900 7.743 3.864 1.00 63.01 H new ATOM 0 HD3 LYS A 70 11.241 6.910 5.368 1.00 63.01 H new ATOM 0 HE2 LYS A 70 12.285 5.619 3.652 1.00 75.21 H new ATOM 0 HE3 LYS A 70 10.872 4.707 4.145 1.00 75.21 H new ATOM 0 HZ1 LYS A 70 11.410 5.062 1.646 1.00 61.35 H new ATOM 0 HZ2 LYS A 70 9.799 5.111 2.182 1.00 61.35 H new ATOM 0 HZ3 LYS A 70 10.634 6.556 1.869 1.00 61.35 H new ATOM 1222 N CYS A 71 5.133 6.742 2.189 1.00 21.43 N ATOM 1223 CA CYS A 71 4.258 6.972 1.009 1.00 62.12 C ATOM 1224 C CYS A 71 3.267 5.803 0.824 1.00 65.44 C ATOM 1225 O CYS A 71 3.653 4.644 0.952 1.00 23.54 O ATOM 1226 CB CYS A 71 5.088 7.148 -0.299 1.00 24.25 C ATOM 1227 SG CYS A 71 5.988 8.714 -0.427 1.00 55.44 S ATOM 0 H CYS A 71 5.149 5.770 2.498 1.00 21.43 H new ATOM 0 HA CYS A 71 3.706 7.893 1.199 1.00 62.12 H new ATOM 0 HB2 CYS A 71 5.803 6.328 -0.371 1.00 24.25 H new ATOM 0 HB3 CYS A 71 4.416 7.061 -1.153 1.00 24.25 H new ATOM 0 HG CYS A 71 6.061 9.270 0.746 1.00 55.44 H new ATOM 1233 N VAL A 72 1.984 6.131 0.555 1.00 73.14 N ATOM 1234 CA VAL A 72 0.971 5.171 0.048 1.00 22.30 C ATOM 1235 C VAL A 72 0.149 5.850 -1.052 1.00 51.11 C ATOM 1236 O VAL A 72 -0.443 6.912 -0.810 1.00 14.11 O ATOM 1237 CB VAL A 72 -0.044 4.645 1.145 1.00 11.53 C ATOM 1238 CG1 VAL A 72 -1.153 3.757 0.501 1.00 72.41 C ATOM 1239 CG2 VAL A 72 0.677 3.872 2.263 1.00 23.43 C ATOM 0 H VAL A 72 1.617 7.074 0.683 1.00 73.14 H new ATOM 0 HA VAL A 72 1.534 4.309 -0.311 1.00 22.30 H new ATOM 0 HB VAL A 72 -0.515 5.520 1.593 1.00 11.53 H new ATOM 0 HG11 VAL A 72 -1.836 3.409 1.276 1.00 72.41 H new ATOM 0 HG12 VAL A 72 -1.706 4.342 -0.234 1.00 72.41 H new ATOM 0 HG13 VAL A 72 -0.693 2.899 0.011 1.00 72.41 H new ATOM 0 HG21 VAL A 72 -0.052 3.527 2.996 1.00 23.43 H new ATOM 0 HG22 VAL A 72 1.195 3.014 1.836 1.00 23.43 H new ATOM 0 HG23 VAL A 72 1.400 4.527 2.750 1.00 23.43 H new ATOM 1249 N GLU A 73 0.126 5.237 -2.247 1.00 35.32 N ATOM 1250 CA GLU A 73 -0.802 5.626 -3.324 1.00 64.34 C ATOM 1251 C GLU A 73 -0.901 4.492 -4.356 1.00 52.43 C ATOM 1252 O GLU A 73 -0.103 3.543 -4.323 1.00 62.45 O ATOM 1253 CB GLU A 73 -0.377 6.985 -3.962 1.00 32.13 C ATOM 1254 CG GLU A 73 -1.507 7.725 -4.709 1.00 35.34 C ATOM 1255 CD GLU A 73 -1.208 9.214 -4.925 1.00 35.14 C ATOM 1256 OE1 GLU A 73 -1.247 9.977 -3.934 1.00 60.13 O ATOM 1257 OE2 GLU A 73 -0.918 9.624 -6.068 1.00 43.43 O ATOM 0 H GLU A 73 0.744 4.464 -2.493 1.00 35.32 H new ATOM 0 HA GLU A 73 -1.797 5.782 -2.908 1.00 64.34 H new ATOM 0 HB2 GLU A 73 0.008 7.635 -3.177 1.00 32.13 H new ATOM 0 HB3 GLU A 73 0.443 6.804 -4.657 1.00 32.13 H new ATOM 0 HG2 GLU A 73 -1.669 7.249 -5.676 1.00 35.34 H new ATOM 0 HG3 GLU A 73 -2.434 7.624 -4.145 1.00 35.34 H new ATOM 1264 N ILE A 74 -1.903 4.597 -5.245 1.00 51.42 N ATOM 1265 CA ILE A 74 -2.167 3.616 -6.311 1.00 10.23 C ATOM 1266 C ILE A 74 -0.989 3.506 -7.298 1.00 4.25 C ATOM 1267 O ILE A 74 -0.186 4.442 -7.440 1.00 62.21 O ATOM 1268 CB ILE A 74 -3.491 3.964 -7.087 1.00 52.23 C ATOM 1269 CG1 ILE A 74 -3.403 5.372 -7.781 1.00 4.14 C ATOM 1270 CG2 ILE A 74 -4.699 3.897 -6.124 1.00 44.40 C ATOM 1271 CD1 ILE A 74 -4.609 5.744 -8.639 1.00 11.12 C ATOM 0 H ILE A 74 -2.561 5.376 -5.243 1.00 51.42 H new ATOM 0 HA ILE A 74 -2.289 2.648 -5.825 1.00 10.23 H new ATOM 0 HB ILE A 74 -3.627 3.225 -7.877 1.00 52.23 H new ATOM 0 HG12 ILE A 74 -3.275 6.133 -7.011 1.00 4.14 H new ATOM 0 HG13 ILE A 74 -2.510 5.398 -8.405 1.00 4.14 H new ATOM 0 HG21 ILE A 74 -5.612 4.139 -6.668 1.00 44.40 H new ATOM 0 HG22 ILE A 74 -4.779 2.892 -5.710 1.00 44.40 H new ATOM 0 HG23 ILE A 74 -4.559 4.613 -5.314 1.00 44.40 H new ATOM 0 HD11 ILE A 74 -4.455 6.731 -9.075 1.00 11.12 H new ATOM 0 HD12 ILE A 74 -4.729 5.010 -9.436 1.00 11.12 H new ATOM 0 HD13 ILE A 74 -5.506 5.757 -8.020 1.00 11.12 H new ATOM 1283 N VAL A 75 -0.911 2.358 -7.993 1.00 3.13 N ATOM 1284 CA VAL A 75 0.205 2.040 -8.901 1.00 0.11 C ATOM 1285 C VAL A 75 -0.341 1.886 -10.323 1.00 41.11 C ATOM 1286 O VAL A 75 -1.322 1.156 -10.537 1.00 40.33 O ATOM 1287 CB VAL A 75 0.951 0.702 -8.503 1.00 25.02 C ATOM 1288 CG1 VAL A 75 2.269 0.550 -9.296 1.00 25.33 C ATOM 1289 CG2 VAL A 75 1.203 0.634 -6.991 1.00 51.31 C ATOM 0 H VAL A 75 -1.619 1.625 -7.941 1.00 3.13 H new ATOM 0 HA VAL A 75 0.924 2.857 -8.833 1.00 0.11 H new ATOM 0 HB VAL A 75 0.302 -0.134 -8.766 1.00 25.02 H new ATOM 0 HG11 VAL A 75 2.764 -0.377 -9.005 1.00 25.33 H new ATOM 0 HG12 VAL A 75 2.051 0.525 -10.364 1.00 25.33 H new ATOM 0 HG13 VAL A 75 2.924 1.394 -9.079 1.00 25.33 H new ATOM 0 HG21 VAL A 75 1.717 -0.296 -6.749 1.00 51.31 H new ATOM 0 HG22 VAL A 75 1.820 1.479 -6.687 1.00 51.31 H new ATOM 0 HG23 VAL A 75 0.251 0.671 -6.461 1.00 51.31 H new ATOM 1299 N LYS A 76 0.286 2.578 -11.284 1.00 74.20 N ATOM 1300 CA LYS A 76 -0.014 2.409 -12.708 1.00 65.30 C ATOM 1301 C LYS A 76 0.874 1.293 -13.293 1.00 44.13 C ATOM 1302 O LYS A 76 2.026 1.101 -12.871 1.00 5.53 O ATOM 1303 CB LYS A 76 0.155 3.749 -13.456 1.00 51.12 C ATOM 1304 CG LYS A 76 1.558 4.386 -13.363 1.00 35.31 C ATOM 1305 CD LYS A 76 1.601 5.813 -13.957 1.00 41.22 C ATOM 1306 CE LYS A 76 0.706 6.791 -13.185 1.00 65.41 C ATOM 1307 NZ LYS A 76 0.635 8.125 -13.830 1.00 20.25 N ATOM 0 H LYS A 76 1.013 3.268 -11.095 1.00 74.20 H new ATOM 0 HA LYS A 76 -1.053 2.106 -12.834 1.00 65.30 H new ATOM 0 HB2 LYS A 76 -0.085 3.592 -14.508 1.00 51.12 H new ATOM 0 HB3 LYS A 76 -0.574 4.458 -13.065 1.00 51.12 H new ATOM 0 HG2 LYS A 76 1.869 4.421 -12.319 1.00 35.31 H new ATOM 0 HG3 LYS A 76 2.275 3.755 -13.888 1.00 35.31 H new ATOM 0 HD2 LYS A 76 2.628 6.178 -13.947 1.00 41.22 H new ATOM 0 HD3 LYS A 76 1.285 5.780 -15.000 1.00 41.22 H new ATOM 0 HE2 LYS A 76 -0.298 6.375 -13.106 1.00 65.41 H new ATOM 0 HE3 LYS A 76 1.086 6.902 -12.169 1.00 65.41 H new ATOM 0 HZ1 LYS A 76 0.019 8.749 -13.271 1.00 20.25 H new ATOM 0 HZ2 LYS A 76 1.589 8.537 -13.882 1.00 20.25 H new ATOM 0 HZ3 LYS A 76 0.248 8.026 -14.790 1.00 20.25 H new ATOM 1382 N ILE A 82 -1.891 -8.000 -15.154 1.00 31.34 N ATOM 1383 CA ILE A 82 -2.206 -8.179 -13.728 1.00 63.24 C ATOM 1384 C ILE A 82 -2.630 -9.649 -13.464 1.00 61.41 C ATOM 1385 O ILE A 82 -3.714 -10.066 -13.892 1.00 44.10 O ATOM 1386 CB ILE A 82 -3.322 -7.175 -13.249 1.00 34.43 C ATOM 1387 CG1 ILE A 82 -2.835 -5.692 -13.406 1.00 20.34 C ATOM 1388 CG2 ILE A 82 -3.765 -7.469 -11.791 1.00 24.22 C ATOM 1389 CD1 ILE A 82 -1.580 -5.324 -12.605 1.00 25.11 C ATOM 0 HA ILE A 82 -1.309 -7.959 -13.149 1.00 63.24 H new ATOM 0 HB ILE A 82 -4.195 -7.316 -13.886 1.00 34.43 H new ATOM 0 HG12 ILE A 82 -2.641 -5.501 -14.461 1.00 20.34 H new ATOM 0 HG13 ILE A 82 -3.645 -5.028 -13.105 1.00 20.34 H new ATOM 0 HG21 ILE A 82 -4.535 -6.757 -11.494 1.00 24.22 H new ATOM 0 HG22 ILE A 82 -4.163 -8.482 -11.729 1.00 24.22 H new ATOM 0 HG23 ILE A 82 -2.908 -7.375 -11.124 1.00 24.22 H new ATOM 0 HD11 ILE A 82 -1.328 -4.279 -12.783 1.00 25.11 H new ATOM 0 HD12 ILE A 82 -1.769 -5.475 -11.542 1.00 25.11 H new ATOM 0 HD13 ILE A 82 -0.749 -5.956 -12.919 1.00 25.11 H new ATOM 1401 N PRO A 83 -1.768 -10.451 -12.761 1.00 34.53 N ATOM 1402 CA PRO A 83 -1.983 -11.890 -12.538 1.00 24.42 C ATOM 1403 C PRO A 83 -2.680 -12.140 -11.184 1.00 41.34 C ATOM 1404 O PRO A 83 -2.367 -13.090 -10.453 1.00 41.43 O ATOM 1405 CB PRO A 83 -0.527 -12.397 -12.566 1.00 72.24 C ATOM 1406 CG PRO A 83 0.268 -11.307 -11.913 1.00 53.53 C ATOM 1407 CD PRO A 83 -0.505 -10.013 -12.105 1.00 13.24 C ATOM 0 HA PRO A 83 -2.633 -12.386 -13.259 1.00 24.42 H new ATOM 0 HB2 PRO A 83 -0.425 -13.339 -12.027 1.00 72.24 H new ATOM 0 HB3 PRO A 83 -0.190 -12.576 -13.587 1.00 72.24 H new ATOM 0 HG2 PRO A 83 0.411 -11.517 -10.853 1.00 53.53 H new ATOM 0 HG3 PRO A 83 1.260 -11.233 -12.360 1.00 53.53 H new ATOM 0 HD2 PRO A 83 -0.699 -9.517 -11.154 1.00 13.24 H new ATOM 0 HD3 PRO A 83 0.045 -9.306 -12.726 1.00 13.24 H new ATOM 1415 N CYS A 84 -3.662 -11.281 -10.907 1.00 32.01 N ATOM 1416 CA CYS A 84 -4.339 -11.182 -9.615 1.00 44.23 C ATOM 1417 C CYS A 84 -5.825 -10.893 -9.848 1.00 71.42 C ATOM 1418 O CYS A 84 -6.170 -10.133 -10.757 1.00 22.10 O ATOM 1419 CB CYS A 84 -3.689 -10.056 -8.784 1.00 73.23 C ATOM 1420 SG CYS A 84 -4.574 -9.632 -7.279 1.00 22.32 S ATOM 0 H CYS A 84 -4.018 -10.617 -11.595 1.00 32.01 H new ATOM 0 HA CYS A 84 -4.244 -12.119 -9.067 1.00 44.23 H new ATOM 0 HB2 CYS A 84 -2.674 -10.355 -8.521 1.00 73.23 H new ATOM 0 HB3 CYS A 84 -3.607 -9.164 -9.406 1.00 73.23 H new ATOM 0 HG CYS A 84 -5.356 -8.619 -7.506 1.00 22.32 H new ATOM 1426 N GLN A 85 -6.697 -11.515 -9.030 1.00 41.04 N ATOM 1427 CA GLN A 85 -8.166 -11.308 -9.105 1.00 41.42 C ATOM 1428 C GLN A 85 -8.543 -9.903 -8.587 1.00 12.51 C ATOM 1429 O GLN A 85 -9.477 -9.281 -9.090 1.00 75.24 O ATOM 1430 CB GLN A 85 -8.918 -12.410 -8.303 1.00 35.44 C ATOM 1431 CG GLN A 85 -8.600 -12.434 -6.799 1.00 21.32 C ATOM 1432 CD GLN A 85 -9.348 -13.501 -6.005 1.00 40.05 C ATOM 1433 OE1 GLN A 85 -8.739 -13.979 -4.934 1.00 1.30 O flip ATOM 1434 NE2 GLN A 85 -10.466 -13.878 -6.340 1.00 33.13 N flip ATOM 0 H GLN A 85 -6.411 -12.171 -8.303 1.00 41.04 H new ATOM 0 HA GLN A 85 -8.469 -11.381 -10.149 1.00 41.42 H new ATOM 0 HB2 GLN A 85 -9.991 -12.267 -8.432 1.00 35.44 H new ATOM 0 HB3 GLN A 85 -8.672 -13.383 -8.729 1.00 35.44 H new ATOM 0 HG2 GLN A 85 -7.529 -12.590 -6.671 1.00 21.32 H new ATOM 0 HG3 GLN A 85 -8.833 -11.456 -6.377 1.00 21.32 H new ATOM 0 HE21 GLN A 85 -10.907 -13.488 -7.173 1.00 33.13 H new ATOM 0 HE22 GLN A 85 -10.954 -14.581 -5.786 1.00 33.13 H new ATOM 1443 N ASN A 86 -7.794 -9.428 -7.575 1.00 20.31 N ATOM 1444 CA ASN A 86 -7.974 -8.097 -6.975 1.00 31.02 C ATOM 1445 C ASN A 86 -7.517 -7.005 -7.966 1.00 41.33 C ATOM 1446 O ASN A 86 -6.432 -7.115 -8.562 1.00 62.43 O ATOM 1447 CB ASN A 86 -7.185 -8.014 -5.637 1.00 41.55 C ATOM 1448 CG ASN A 86 -7.794 -8.831 -4.487 1.00 24.14 C ATOM 1449 OD1 ASN A 86 -8.447 -9.843 -4.707 1.00 1.34 O ATOM 1450 ND2 ASN A 86 -7.571 -8.393 -3.251 1.00 65.43 N ATOM 0 H ASN A 86 -7.039 -9.965 -7.148 1.00 20.31 H new ATOM 0 HA ASN A 86 -9.030 -7.933 -6.759 1.00 31.02 H new ATOM 0 HB2 ASN A 86 -6.165 -8.357 -5.809 1.00 41.55 H new ATOM 0 HB3 ASN A 86 -7.122 -6.970 -5.331 1.00 41.55 H new ATOM 0 HD21 ASN A 86 -7.948 -8.904 -2.453 1.00 65.43 H new ATOM 0 HD22 ASN A 86 -7.023 -7.546 -3.101 1.00 65.43 H new ATOM 1457 N LYS A 87 -8.345 -5.947 -8.123 1.00 4.25 N ATOM 1458 CA LYS A 87 -8.219 -4.970 -9.225 1.00 73.12 C ATOM 1459 C LYS A 87 -7.823 -3.575 -8.696 1.00 22.32 C ATOM 1460 O LYS A 87 -8.338 -3.137 -7.661 1.00 44.42 O ATOM 1461 CB LYS A 87 -9.574 -4.889 -9.989 1.00 2.14 C ATOM 1462 CG LYS A 87 -9.509 -4.160 -11.344 1.00 40.20 C ATOM 1463 CD LYS A 87 -8.596 -4.896 -12.344 1.00 5.40 C ATOM 1464 CE LYS A 87 -8.540 -4.208 -13.715 1.00 53.30 C ATOM 1465 NZ LYS A 87 -7.742 -4.993 -14.687 1.00 15.44 N ATOM 0 H LYS A 87 -9.119 -5.748 -7.489 1.00 4.25 H new ATOM 0 HA LYS A 87 -7.430 -5.303 -9.900 1.00 73.12 H new ATOM 0 HB2 LYS A 87 -9.943 -5.901 -10.154 1.00 2.14 H new ATOM 0 HB3 LYS A 87 -10.303 -4.384 -9.355 1.00 2.14 H new ATOM 0 HG2 LYS A 87 -10.513 -4.077 -11.761 1.00 40.20 H new ATOM 0 HG3 LYS A 87 -9.141 -3.145 -11.194 1.00 40.20 H new ATOM 0 HD2 LYS A 87 -7.589 -4.958 -11.932 1.00 5.40 H new ATOM 0 HD3 LYS A 87 -8.952 -5.918 -12.470 1.00 5.40 H new ATOM 0 HE2 LYS A 87 -9.552 -4.075 -14.098 1.00 53.30 H new ATOM 0 HE3 LYS A 87 -8.107 -3.214 -13.606 1.00 53.30 H new ATOM 0 HZ1 LYS A 87 -7.725 -4.499 -15.602 1.00 15.44 H new ATOM 0 HZ2 LYS A 87 -6.770 -5.099 -14.333 1.00 15.44 H new ATOM 0 HZ3 LYS A 87 -8.170 -5.933 -14.809 1.00 15.44 H new ATOM 1479 N TYR A 88 -6.956 -2.878 -9.470 1.00 72.05 N ATOM 1480 CA TYR A 88 -6.340 -1.590 -9.088 1.00 61.10 C ATOM 1481 C TYR A 88 -5.475 -1.734 -7.808 1.00 72.31 C ATOM 1482 O TYR A 88 -5.997 -1.659 -6.683 1.00 60.14 O ATOM 1483 CB TYR A 88 -7.387 -0.441 -8.945 1.00 5.45 C ATOM 1484 CG TYR A 88 -7.721 0.303 -10.257 1.00 33.12 C ATOM 1485 CD1 TYR A 88 -8.563 -0.258 -11.217 1.00 23.42 C ATOM 1486 CD2 TYR A 88 -7.193 1.575 -10.522 1.00 72.31 C ATOM 1487 CE1 TYR A 88 -8.865 0.412 -12.390 1.00 61.24 C ATOM 1488 CE2 TYR A 88 -7.493 2.249 -11.695 1.00 33.03 C ATOM 1489 CZ TYR A 88 -8.327 1.665 -12.626 1.00 5.12 C ATOM 1490 OH TYR A 88 -8.629 2.345 -13.795 1.00 44.20 O ATOM 0 H TYR A 88 -6.662 -3.203 -10.391 1.00 72.05 H new ATOM 0 HA TYR A 88 -5.680 -1.306 -9.908 1.00 61.10 H new ATOM 0 HB2 TYR A 88 -8.308 -0.857 -8.536 1.00 5.45 H new ATOM 0 HB3 TYR A 88 -7.014 0.282 -8.219 1.00 5.45 H new ATOM 0 HD1 TYR A 88 -8.988 -1.235 -11.042 1.00 23.42 H new ATOM 0 HD2 TYR A 88 -6.540 2.038 -9.798 1.00 72.31 H new ATOM 0 HE1 TYR A 88 -9.519 -0.042 -13.120 1.00 61.24 H new ATOM 0 HE2 TYR A 88 -7.076 3.228 -11.880 1.00 33.03 H new ATOM 0 HH TYR A 88 -8.168 3.210 -13.799 1.00 44.20 H new ATOM 1500 N PRO A 89 -4.139 -1.964 -7.963 1.00 1.14 N ATOM 1501 CA PRO A 89 -3.221 -2.071 -6.820 1.00 42.32 C ATOM 1502 C PRO A 89 -2.809 -0.700 -6.260 1.00 75.32 C ATOM 1503 O PRO A 89 -2.929 0.339 -6.927 1.00 70.15 O ATOM 1504 CB PRO A 89 -2.007 -2.809 -7.424 1.00 54.22 C ATOM 1505 CG PRO A 89 -1.971 -2.369 -8.852 1.00 61.22 C ATOM 1506 CD PRO A 89 -3.419 -2.155 -9.259 1.00 72.13 C ATOM 0 HA PRO A 89 -3.674 -2.584 -5.972 1.00 42.32 H new ATOM 0 HB2 PRO A 89 -1.085 -2.547 -6.905 1.00 54.22 H new ATOM 0 HB3 PRO A 89 -2.121 -3.890 -7.345 1.00 54.22 H new ATOM 0 HG2 PRO A 89 -1.394 -1.451 -8.963 1.00 61.22 H new ATOM 0 HG3 PRO A 89 -1.496 -3.122 -9.481 1.00 61.22 H new ATOM 0 HD2 PRO A 89 -3.526 -1.285 -9.906 1.00 72.13 H new ATOM 0 HD3 PRO A 89 -3.809 -3.011 -9.809 1.00 72.13 H new ATOM 1514 N PHE A 90 -2.334 -0.733 -5.023 1.00 42.01 N ATOM 1515 CA PHE A 90 -1.616 0.371 -4.389 1.00 44.12 C ATOM 1516 C PHE A 90 -0.305 -0.164 -3.816 1.00 10.25 C ATOM 1517 O PHE A 90 -0.052 -1.371 -3.847 1.00 71.32 O ATOM 1518 CB PHE A 90 -2.479 1.067 -3.305 1.00 72.50 C ATOM 1519 CG PHE A 90 -3.002 0.172 -2.164 1.00 32.04 C ATOM 1520 CD1 PHE A 90 -4.192 -0.544 -2.304 1.00 14.52 C ATOM 1521 CD2 PHE A 90 -2.318 0.073 -0.948 1.00 1.13 C ATOM 1522 CE1 PHE A 90 -4.678 -1.326 -1.276 1.00 3.30 C ATOM 1523 CE2 PHE A 90 -2.805 -0.713 0.080 1.00 42.31 C ATOM 1524 CZ PHE A 90 -3.986 -1.413 -0.084 1.00 3.54 C ATOM 0 H PHE A 90 -2.438 -1.546 -4.416 1.00 42.01 H new ATOM 0 HA PHE A 90 -1.395 1.135 -5.134 1.00 44.12 H new ATOM 0 HB2 PHE A 90 -1.890 1.872 -2.865 1.00 72.50 H new ATOM 0 HB3 PHE A 90 -3.335 1.530 -3.796 1.00 72.50 H new ATOM 0 HD1 PHE A 90 -4.741 -0.485 -3.232 1.00 14.52 H new ATOM 0 HD2 PHE A 90 -1.396 0.618 -0.810 1.00 1.13 H new ATOM 0 HE1 PHE A 90 -5.602 -1.871 -1.404 1.00 3.30 H new ATOM 0 HE2 PHE A 90 -2.263 -0.780 1.012 1.00 42.31 H new ATOM 0 HZ PHE A 90 -4.367 -2.027 0.719 1.00 3.54 H new ATOM 1534 N GLN A 91 0.534 0.736 -3.316 1.00 24.40 N ATOM 1535 CA GLN A 91 1.839 0.381 -2.750 1.00 32.45 C ATOM 1536 C GLN A 91 2.068 1.122 -1.442 1.00 34.12 C ATOM 1537 O GLN A 91 1.484 2.185 -1.189 1.00 23.14 O ATOM 1538 CB GLN A 91 2.965 0.697 -3.759 1.00 52.41 C ATOM 1539 CG GLN A 91 3.012 2.163 -4.251 1.00 51.15 C ATOM 1540 CD GLN A 91 4.075 2.406 -5.328 1.00 64.20 C ATOM 1541 OE1 GLN A 91 5.170 1.831 -5.296 1.00 43.30 O ATOM 1542 NE2 GLN A 91 3.729 3.200 -6.329 1.00 34.21 N ATOM 0 H GLN A 91 0.332 1.735 -3.290 1.00 24.40 H new ATOM 0 HA GLN A 91 1.851 -0.689 -2.545 1.00 32.45 H new ATOM 0 HB2 GLN A 91 3.923 0.453 -3.299 1.00 52.41 H new ATOM 0 HB3 GLN A 91 2.851 0.043 -4.624 1.00 52.41 H new ATOM 0 HG2 GLN A 91 2.034 2.438 -4.647 1.00 51.15 H new ATOM 0 HG3 GLN A 91 3.208 2.818 -3.402 1.00 51.15 H new ATOM 0 HE21 GLN A 91 2.818 3.659 -6.324 1.00 34.21 H new ATOM 0 HE22 GLN A 91 4.373 3.353 -7.105 1.00 34.21 H new ATOM 1551 N VAL A 92 2.943 0.546 -0.621 1.00 30.40 N ATOM 1552 CA VAL A 92 3.331 1.106 0.667 1.00 42.52 C ATOM 1553 C VAL A 92 4.859 1.204 0.666 1.00 33.42 C ATOM 1554 O VAL A 92 5.545 0.186 0.781 1.00 11.23 O ATOM 1555 CB VAL A 92 2.831 0.215 1.878 1.00 64.23 C ATOM 1556 CG1 VAL A 92 3.281 0.808 3.238 1.00 43.24 C ATOM 1557 CG2 VAL A 92 1.291 0.021 1.834 1.00 32.10 C ATOM 0 H VAL A 92 3.408 -0.336 -0.837 1.00 30.40 H new ATOM 0 HA VAL A 92 2.870 2.085 0.800 1.00 42.52 H new ATOM 0 HB VAL A 92 3.293 -0.767 1.777 1.00 64.23 H new ATOM 0 HG11 VAL A 92 2.922 0.173 4.048 1.00 43.24 H new ATOM 0 HG12 VAL A 92 4.369 0.858 3.271 1.00 43.24 H new ATOM 0 HG13 VAL A 92 2.868 1.810 3.352 1.00 43.24 H new ATOM 0 HG21 VAL A 92 0.978 -0.594 2.677 1.00 32.10 H new ATOM 0 HG22 VAL A 92 0.800 0.993 1.891 1.00 32.10 H new ATOM 0 HG23 VAL A 92 1.013 -0.471 0.902 1.00 32.10 H new ATOM 1567 N VAL A 93 5.386 2.417 0.445 1.00 62.41 N ATOM 1568 CA VAL A 93 6.820 2.698 0.579 1.00 20.42 C ATOM 1569 C VAL A 93 7.060 3.076 2.039 1.00 1.30 C ATOM 1570 O VAL A 93 6.455 4.033 2.524 1.00 33.22 O ATOM 1571 CB VAL A 93 7.295 3.876 -0.357 1.00 14.01 C ATOM 1572 CG1 VAL A 93 8.835 4.060 -0.291 1.00 45.40 C ATOM 1573 CG2 VAL A 93 6.812 3.665 -1.813 1.00 3.23 C ATOM 0 H VAL A 93 4.831 3.227 0.169 1.00 62.41 H new ATOM 0 HA VAL A 93 7.389 1.818 0.281 1.00 20.42 H new ATOM 0 HB VAL A 93 6.839 4.796 0.009 1.00 14.01 H new ATOM 0 HG11 VAL A 93 9.132 4.879 -0.946 1.00 45.40 H new ATOM 0 HG12 VAL A 93 9.130 4.289 0.733 1.00 45.40 H new ATOM 0 HG13 VAL A 93 9.325 3.141 -0.613 1.00 45.40 H new ATOM 0 HG21 VAL A 93 7.155 4.493 -2.434 1.00 3.23 H new ATOM 0 HG22 VAL A 93 7.218 2.730 -2.199 1.00 3.23 H new ATOM 0 HG23 VAL A 93 5.723 3.624 -1.833 1.00 3.23 H new ATOM 1583 N HIS A 94 7.913 2.320 2.738 1.00 12.20 N ATOM 1584 CA HIS A 94 8.124 2.476 4.185 1.00 63.31 C ATOM 1585 C HIS A 94 9.619 2.357 4.512 1.00 53.23 C ATOM 1586 O HIS A 94 10.459 2.445 3.601 1.00 24.40 O ATOM 1587 CB HIS A 94 7.264 1.424 4.968 1.00 61.11 C ATOM 1588 CG HIS A 94 7.434 -0.019 4.532 1.00 11.43 C ATOM 1589 ND1 HIS A 94 8.051 -0.979 5.298 1.00 14.52 N ATOM 1590 CD2 HIS A 94 7.003 -0.663 3.425 1.00 70.42 C ATOM 1591 CE1 HIS A 94 7.992 -2.147 4.678 1.00 65.05 C ATOM 1592 NE2 HIS A 94 7.359 -1.980 3.543 1.00 4.32 N ATOM 0 H HIS A 94 8.478 1.582 2.318 1.00 12.20 H new ATOM 0 HA HIS A 94 7.797 3.467 4.500 1.00 63.31 H new ATOM 0 HB2 HIS A 94 7.511 1.496 6.027 1.00 61.11 H new ATOM 0 HB3 HIS A 94 6.213 1.694 4.867 1.00 61.11 H new ATOM 0 HD2 HIS A 94 6.473 -0.219 2.596 1.00 70.42 H new ATOM 0 HE1 HIS A 94 8.397 -3.079 5.045 1.00 65.05 H new ATOM 0 HE2 HIS A 94 7.163 -2.711 2.859 1.00 4.32 H new ATOM 1601 N ASP A 95 9.925 2.220 5.822 1.00 42.31 N ATOM 1602 CA ASP A 95 11.286 1.948 6.352 1.00 53.53 C ATOM 1603 C ASP A 95 12.021 0.870 5.522 1.00 14.43 C ATOM 1604 O ASP A 95 13.140 1.090 5.052 1.00 63.52 O ATOM 1605 CB ASP A 95 11.156 1.516 7.840 1.00 72.25 C ATOM 1606 CG ASP A 95 12.458 0.978 8.471 1.00 14.32 C ATOM 1607 OD1 ASP A 95 13.385 1.774 8.714 1.00 33.45 O ATOM 1608 OD2 ASP A 95 12.558 -0.247 8.725 1.00 35.44 O ATOM 0 H ASP A 95 9.221 2.296 6.557 1.00 42.31 H new ATOM 0 HA ASP A 95 11.886 2.855 6.279 1.00 53.53 H new ATOM 0 HB2 ASP A 95 10.811 2.370 8.423 1.00 72.25 H new ATOM 0 HB3 ASP A 95 10.387 0.747 7.915 1.00 72.25 H new ATOM 1613 N ALA A 96 11.367 -0.285 5.351 1.00 72.43 N ATOM 1614 CA ALA A 96 11.859 -1.374 4.486 1.00 5.40 C ATOM 1615 C ALA A 96 11.245 -1.250 3.064 1.00 51.22 C ATOM 1616 O ALA A 96 10.516 -0.288 2.776 1.00 32.02 O ATOM 1617 CB ALA A 96 11.540 -2.726 5.149 1.00 45.24 C ATOM 0 H ALA A 96 10.480 -0.495 5.808 1.00 72.43 H new ATOM 0 HA ALA A 96 12.940 -1.304 4.368 1.00 5.40 H new ATOM 0 HB1 ALA A 96 11.901 -3.536 4.515 1.00 45.24 H new ATOM 0 HB2 ALA A 96 12.031 -2.779 6.121 1.00 45.24 H new ATOM 0 HB3 ALA A 96 10.462 -2.821 5.281 1.00 45.24 H new ATOM 1623 N ASN A 97 11.509 -2.249 2.198 1.00 72.30 N ATOM 1624 CA ASN A 97 11.156 -2.188 0.752 1.00 51.35 C ATOM 1625 C ASN A 97 9.635 -2.138 0.522 1.00 50.45 C ATOM 1626 O ASN A 97 8.858 -2.590 1.359 1.00 4.24 O ATOM 1627 CB ASN A 97 11.756 -3.393 -0.016 1.00 24.33 C ATOM 1628 CG ASN A 97 13.283 -3.430 0.030 1.00 24.54 C ATOM 1629 OD1 ASN A 97 13.959 -2.814 -0.798 1.00 13.01 O ATOM 1630 ND2 ASN A 97 13.834 -4.161 0.989 1.00 2.33 N ATOM 0 H ASN A 97 11.969 -3.117 2.471 1.00 72.30 H new ATOM 0 HA ASN A 97 11.585 -1.262 0.368 1.00 51.35 H new ATOM 0 HB2 ASN A 97 11.363 -4.318 0.406 1.00 24.33 H new ATOM 0 HB3 ASN A 97 11.430 -3.353 -1.055 1.00 24.33 H new ATOM 0 HD21 ASN A 97 14.849 -4.228 1.060 1.00 2.33 H new ATOM 0 HD22 ASN A 97 13.243 -4.657 1.656 1.00 2.33 H new ATOM 1637 N THR A 98 9.246 -1.621 -0.650 1.00 24.05 N ATOM 1638 CA THR A 98 7.854 -1.323 -1.003 1.00 23.22 C ATOM 1639 C THR A 98 7.022 -2.607 -1.239 1.00 33.45 C ATOM 1640 O THR A 98 7.416 -3.484 -2.019 1.00 12.42 O ATOM 1641 CB THR A 98 7.832 -0.414 -2.277 1.00 11.00 C ATOM 1642 OG1 THR A 98 8.590 0.785 -2.020 1.00 63.32 O ATOM 1643 CG2 THR A 98 6.405 -0.029 -2.702 1.00 35.25 C ATOM 0 H THR A 98 9.905 -1.394 -1.395 1.00 24.05 H new ATOM 0 HA THR A 98 7.394 -0.801 -0.164 1.00 23.22 H new ATOM 0 HB THR A 98 8.274 -0.985 -3.093 1.00 11.00 H new ATOM 0 HG1 THR A 98 9.490 0.689 -2.395 1.00 63.32 H new ATOM 0 HG21 THR A 98 6.447 0.601 -3.590 1.00 35.25 H new ATOM 0 HG22 THR A 98 5.836 -0.931 -2.924 1.00 35.25 H new ATOM 0 HG23 THR A 98 5.919 0.516 -1.893 1.00 35.25 H new ATOM 1651 N LEU A 99 5.870 -2.692 -0.545 1.00 23.55 N ATOM 1652 CA LEU A 99 4.924 -3.811 -0.662 1.00 21.03 C ATOM 1653 C LEU A 99 3.760 -3.387 -1.578 1.00 3.21 C ATOM 1654 O LEU A 99 3.093 -2.380 -1.307 1.00 34.32 O ATOM 1655 CB LEU A 99 4.398 -4.208 0.751 1.00 14.14 C ATOM 1656 CG LEU A 99 3.390 -5.405 0.801 1.00 73.00 C ATOM 1657 CD1 LEU A 99 4.022 -6.721 0.282 1.00 35.43 C ATOM 1658 CD2 LEU A 99 2.792 -5.580 2.226 1.00 74.40 C ATOM 0 H LEU A 99 5.570 -1.977 0.118 1.00 23.55 H new ATOM 0 HA LEU A 99 5.422 -4.678 -1.096 1.00 21.03 H new ATOM 0 HB2 LEU A 99 5.254 -4.454 1.379 1.00 14.14 H new ATOM 0 HB3 LEU A 99 3.917 -3.336 1.195 1.00 14.14 H new ATOM 0 HG LEU A 99 2.570 -5.162 0.126 1.00 73.00 H new ATOM 0 HD11 LEU A 99 3.286 -7.524 0.335 1.00 35.43 H new ATOM 0 HD12 LEU A 99 4.340 -6.589 -0.752 1.00 35.43 H new ATOM 0 HD13 LEU A 99 4.884 -6.978 0.897 1.00 35.43 H new ATOM 0 HD21 LEU A 99 2.096 -6.419 2.228 1.00 74.40 H new ATOM 0 HD22 LEU A 99 3.596 -5.773 2.937 1.00 74.40 H new ATOM 0 HD23 LEU A 99 2.265 -4.670 2.514 1.00 74.40 H new ATOM 1670 N TYR A 100 3.543 -4.145 -2.668 1.00 3.24 N ATOM 1671 CA TYR A 100 2.486 -3.856 -3.658 1.00 13.23 C ATOM 1672 C TYR A 100 1.224 -4.664 -3.325 1.00 31.00 C ATOM 1673 O TYR A 100 1.169 -5.872 -3.547 1.00 44.41 O ATOM 1674 CB TYR A 100 3.004 -4.166 -5.087 1.00 30.54 C ATOM 1675 CG TYR A 100 4.125 -3.209 -5.525 1.00 62.43 C ATOM 1676 CD1 TYR A 100 3.820 -1.980 -6.109 1.00 63.23 C ATOM 1677 CD2 TYR A 100 5.476 -3.511 -5.316 1.00 13.10 C ATOM 1678 CE1 TYR A 100 4.806 -1.091 -6.460 1.00 51.20 C ATOM 1679 CE2 TYR A 100 6.468 -2.617 -5.677 1.00 13.44 C ATOM 1680 CZ TYR A 100 6.125 -1.411 -6.248 1.00 44.31 C ATOM 1681 OH TYR A 100 7.102 -0.510 -6.592 1.00 4.35 O ATOM 0 H TYR A 100 4.094 -4.975 -2.888 1.00 3.24 H new ATOM 0 HA TYR A 100 2.225 -2.798 -3.619 1.00 13.23 H new ATOM 0 HB2 TYR A 100 3.371 -5.192 -5.123 1.00 30.54 H new ATOM 0 HB3 TYR A 100 2.176 -4.099 -5.793 1.00 30.54 H new ATOM 0 HD1 TYR A 100 2.787 -1.722 -6.289 1.00 63.23 H new ATOM 0 HD2 TYR A 100 5.747 -4.455 -4.867 1.00 13.10 H new ATOM 0 HE1 TYR A 100 4.545 -0.141 -6.902 1.00 51.20 H new ATOM 0 HE2 TYR A 100 7.507 -2.863 -5.512 1.00 13.44 H new ATOM 0 HH TYR A 100 7.872 -0.619 -5.996 1.00 4.35 H new ATOM 1691 N ILE A 101 0.225 -3.970 -2.766 1.00 0.31 N ATOM 1692 CA ILE A 101 -1.001 -4.587 -2.240 1.00 52.31 C ATOM 1693 C ILE A 101 -2.191 -4.325 -3.196 1.00 2.42 C ATOM 1694 O ILE A 101 -2.593 -3.179 -3.390 1.00 41.55 O ATOM 1695 CB ILE A 101 -1.347 -4.011 -0.819 1.00 52.22 C ATOM 1696 CG1 ILE A 101 -0.097 -4.022 0.115 1.00 42.53 C ATOM 1697 CG2 ILE A 101 -2.518 -4.801 -0.187 1.00 14.43 C ATOM 1698 CD1 ILE A 101 -0.300 -3.328 1.449 1.00 12.22 C ATOM 0 H ILE A 101 0.244 -2.955 -2.665 1.00 0.31 H new ATOM 0 HA ILE A 101 -0.828 -5.660 -2.160 1.00 52.31 H new ATOM 0 HB ILE A 101 -1.657 -2.973 -0.940 1.00 52.22 H new ATOM 0 HG12 ILE A 101 0.194 -5.056 0.299 1.00 42.53 H new ATOM 0 HG13 ILE A 101 0.733 -3.545 -0.405 1.00 42.53 H new ATOM 0 HG21 ILE A 101 -2.745 -4.390 0.797 1.00 14.43 H new ATOM 0 HG22 ILE A 101 -3.398 -4.721 -0.826 1.00 14.43 H new ATOM 0 HG23 ILE A 101 -2.237 -5.849 -0.086 1.00 14.43 H new ATOM 0 HD11 ILE A 101 0.619 -3.384 2.032 1.00 12.22 H new ATOM 0 HD12 ILE A 101 -0.559 -2.283 1.280 1.00 12.22 H new ATOM 0 HD13 ILE A 101 -1.107 -3.818 1.995 1.00 12.22 H new ATOM 1710 N PHE A 102 -2.727 -5.397 -3.784 1.00 24.44 N ATOM 1711 CA PHE A 102 -3.902 -5.365 -4.672 1.00 31.05 C ATOM 1712 C PHE A 102 -5.194 -5.435 -3.838 1.00 42.52 C ATOM 1713 O PHE A 102 -5.342 -6.329 -2.999 1.00 45.42 O ATOM 1714 CB PHE A 102 -3.827 -6.564 -5.657 1.00 64.33 C ATOM 1715 CG PHE A 102 -2.667 -6.492 -6.661 1.00 71.21 C ATOM 1716 CD1 PHE A 102 -1.333 -6.506 -6.231 1.00 32.33 C ATOM 1717 CD2 PHE A 102 -2.906 -6.381 -8.027 1.00 3.03 C ATOM 1718 CE1 PHE A 102 -0.293 -6.413 -7.135 1.00 41.42 C ATOM 1719 CE2 PHE A 102 -1.861 -6.286 -8.928 1.00 73.53 C ATOM 1720 CZ PHE A 102 -0.559 -6.300 -8.484 1.00 71.44 C ATOM 0 H PHE A 102 -2.350 -6.336 -3.656 1.00 24.44 H new ATOM 0 HA PHE A 102 -3.909 -4.434 -5.239 1.00 31.05 H new ATOM 0 HB2 PHE A 102 -3.736 -7.485 -5.082 1.00 64.33 H new ATOM 0 HB3 PHE A 102 -4.765 -6.624 -6.209 1.00 64.33 H new ATOM 0 HD1 PHE A 102 -1.115 -6.591 -5.177 1.00 32.33 H new ATOM 0 HD2 PHE A 102 -3.923 -6.369 -8.389 1.00 3.03 H new ATOM 0 HE1 PHE A 102 0.729 -6.429 -6.786 1.00 41.42 H new ATOM 0 HE2 PHE A 102 -2.068 -6.200 -9.985 1.00 73.53 H new ATOM 0 HZ PHE A 102 0.254 -6.223 -9.191 1.00 71.44 H new ATOM 1730 N ALA A 103 -6.116 -4.485 -4.066 1.00 2.05 N ATOM 1731 CA ALA A 103 -7.422 -4.439 -3.380 1.00 55.34 C ATOM 1732 C ALA A 103 -8.529 -5.045 -4.271 1.00 72.45 C ATOM 1733 O ALA A 103 -8.463 -4.879 -5.485 1.00 64.33 O ATOM 1734 CB ALA A 103 -7.750 -2.998 -3.000 1.00 53.20 C ATOM 0 H ALA A 103 -5.978 -3.725 -4.732 1.00 2.05 H new ATOM 0 HA ALA A 103 -7.368 -5.037 -2.470 1.00 55.34 H new ATOM 0 HB1 ALA A 103 -8.715 -2.966 -2.494 1.00 53.20 H new ATOM 0 HB2 ALA A 103 -6.978 -2.612 -2.334 1.00 53.20 H new ATOM 0 HB3 ALA A 103 -7.792 -2.385 -3.900 1.00 53.20 H new ATOM 1740 N PRO A 104 -9.551 -5.764 -3.673 1.00 74.10 N ATOM 1741 CA PRO A 104 -10.598 -6.538 -4.420 1.00 4.40 C ATOM 1742 C PRO A 104 -11.217 -5.810 -5.632 1.00 24.35 C ATOM 1743 O PRO A 104 -11.367 -6.386 -6.720 1.00 33.55 O ATOM 1744 CB PRO A 104 -11.664 -6.787 -3.324 1.00 15.22 C ATOM 1745 CG PRO A 104 -10.883 -6.897 -2.062 1.00 33.05 C ATOM 1746 CD PRO A 104 -9.762 -5.895 -2.199 1.00 23.34 C ATOM 0 HA PRO A 104 -10.174 -7.433 -4.875 1.00 4.40 H new ATOM 0 HB2 PRO A 104 -12.382 -5.969 -3.276 1.00 15.22 H new ATOM 0 HB3 PRO A 104 -12.230 -7.697 -3.521 1.00 15.22 H new ATOM 0 HG2 PRO A 104 -11.504 -6.676 -1.194 1.00 33.05 H new ATOM 0 HG3 PRO A 104 -10.494 -7.906 -1.927 1.00 33.05 H new ATOM 0 HD2 PRO A 104 -10.029 -4.938 -1.750 1.00 23.34 H new ATOM 0 HD3 PRO A 104 -8.858 -6.241 -1.698 1.00 23.34 H new ATOM 1754 N SER A 105 -11.537 -4.537 -5.431 1.00 52.30 N ATOM 1755 CA SER A 105 -12.243 -3.704 -6.414 1.00 72.14 C ATOM 1756 C SER A 105 -11.521 -2.349 -6.571 1.00 61.53 C ATOM 1757 O SER A 105 -10.806 -1.921 -5.648 1.00 51.13 O ATOM 1758 CB SER A 105 -13.707 -3.493 -5.925 1.00 11.20 C ATOM 1759 OG SER A 105 -14.472 -2.684 -6.812 1.00 24.35 O ATOM 0 H SER A 105 -11.312 -4.041 -4.569 1.00 52.30 H new ATOM 0 HA SER A 105 -12.252 -4.197 -7.386 1.00 72.14 H new ATOM 0 HB2 SER A 105 -14.192 -4.463 -5.815 1.00 11.20 H new ATOM 0 HB3 SER A 105 -13.693 -3.030 -4.938 1.00 11.20 H new ATOM 0 HG SER A 105 -15.382 -2.584 -6.461 1.00 24.35 H new ATOM 1765 N PRO A 106 -11.677 -1.654 -7.750 1.00 61.30 N ATOM 1766 CA PRO A 106 -11.300 -0.224 -7.901 1.00 24.20 C ATOM 1767 C PRO A 106 -12.022 0.714 -6.888 1.00 11.21 C ATOM 1768 O PRO A 106 -11.658 1.884 -6.750 1.00 42.34 O ATOM 1769 CB PRO A 106 -11.699 0.097 -9.367 1.00 32.31 C ATOM 1770 CG PRO A 106 -12.633 -0.993 -9.784 1.00 64.12 C ATOM 1771 CD PRO A 106 -12.143 -2.214 -9.060 1.00 61.21 C ATOM 0 HA PRO A 106 -10.243 -0.058 -7.692 1.00 24.20 H new ATOM 0 HB2 PRO A 106 -12.181 1.072 -9.436 1.00 32.31 H new ATOM 0 HB3 PRO A 106 -10.822 0.128 -10.013 1.00 32.31 H new ATOM 0 HG2 PRO A 106 -13.662 -0.758 -9.512 1.00 64.12 H new ATOM 0 HG3 PRO A 106 -12.614 -1.139 -10.864 1.00 64.12 H new ATOM 0 HD2 PRO A 106 -12.935 -2.951 -8.927 1.00 61.21 H new ATOM 0 HD3 PRO A 106 -11.335 -2.708 -9.600 1.00 61.21 H new ATOM 1779 N GLN A 107 -13.040 0.171 -6.189 1.00 51.02 N ATOM 1780 CA GLN A 107 -13.728 0.853 -5.083 1.00 23.21 C ATOM 1781 C GLN A 107 -12.950 0.618 -3.777 1.00 43.20 C ATOM 1782 O GLN A 107 -12.709 1.546 -3.004 1.00 22.33 O ATOM 1783 CB GLN A 107 -15.174 0.311 -4.931 1.00 71.23 C ATOM 1784 CG GLN A 107 -16.108 0.549 -6.133 1.00 42.33 C ATOM 1785 CD GLN A 107 -16.366 2.028 -6.411 1.00 65.03 C ATOM 1786 OE1 GLN A 107 -17.294 2.624 -5.861 1.00 63.03 O ATOM 1787 NE2 GLN A 107 -15.548 2.631 -7.265 1.00 23.41 N ATOM 0 H GLN A 107 -13.408 -0.761 -6.381 1.00 51.02 H new ATOM 0 HA GLN A 107 -13.774 1.921 -5.298 1.00 23.21 H new ATOM 0 HB2 GLN A 107 -15.122 -0.761 -4.742 1.00 71.23 H new ATOM 0 HB3 GLN A 107 -15.623 0.769 -4.050 1.00 71.23 H new ATOM 0 HG2 GLN A 107 -15.672 0.090 -7.020 1.00 42.33 H new ATOM 0 HG3 GLN A 107 -17.059 0.049 -5.950 1.00 42.33 H new ATOM 0 HE21 GLN A 107 -14.790 2.107 -7.702 1.00 23.41 H new ATOM 0 HE22 GLN A 107 -15.677 3.619 -7.484 1.00 23.41 H new ATOM 1796 N SER A 108 -12.559 -0.654 -3.560 1.00 64.20 N ATOM 1797 CA SER A 108 -11.864 -1.110 -2.337 1.00 12.14 C ATOM 1798 C SER A 108 -10.531 -0.373 -2.143 1.00 75.42 C ATOM 1799 O SER A 108 -10.192 0.019 -1.016 1.00 22.35 O ATOM 1800 CB SER A 108 -11.624 -2.633 -2.416 1.00 1.24 C ATOM 1801 OG SER A 108 -12.837 -3.333 -2.634 1.00 13.22 O ATOM 0 H SER A 108 -12.718 -1.402 -4.235 1.00 64.20 H new ATOM 0 HA SER A 108 -12.496 -0.884 -1.478 1.00 12.14 H new ATOM 0 HB2 SER A 108 -10.925 -2.852 -3.223 1.00 1.24 H new ATOM 0 HB3 SER A 108 -11.162 -2.979 -1.491 1.00 1.24 H new ATOM 0 HG SER A 108 -12.844 -4.152 -2.095 1.00 13.22 H new ATOM 1807 N ARG A 109 -9.798 -0.176 -3.259 1.00 34.52 N ATOM 1808 CA ARG A 109 -8.503 0.527 -3.245 1.00 23.33 C ATOM 1809 C ARG A 109 -8.686 1.981 -2.820 1.00 52.51 C ATOM 1810 O ARG A 109 -7.848 2.522 -2.121 1.00 2.23 O ATOM 1811 CB ARG A 109 -7.780 0.411 -4.631 1.00 54.33 C ATOM 1812 CG ARG A 109 -8.469 1.107 -5.848 1.00 30.11 C ATOM 1813 CD ARG A 109 -8.085 2.594 -6.026 1.00 42.21 C ATOM 1814 NE ARG A 109 -8.649 3.203 -7.247 1.00 24.45 N ATOM 1815 CZ ARG A 109 -8.462 4.482 -7.619 1.00 1.12 C ATOM 1816 NH1 ARG A 109 -7.739 5.313 -6.872 1.00 51.21 N ATOM 1817 NH2 ARG A 109 -8.985 4.918 -8.749 1.00 34.20 N ATOM 0 H ARG A 109 -10.085 -0.497 -4.184 1.00 34.52 H new ATOM 0 HA ARG A 109 -7.859 0.046 -2.508 1.00 23.33 H new ATOM 0 HB2 ARG A 109 -6.777 0.825 -4.526 1.00 54.33 H new ATOM 0 HB3 ARG A 109 -7.665 -0.647 -4.866 1.00 54.33 H new ATOM 0 HG2 ARG A 109 -8.210 0.565 -6.757 1.00 30.11 H new ATOM 0 HG3 ARG A 109 -9.550 1.034 -5.730 1.00 30.11 H new ATOM 0 HD2 ARG A 109 -8.427 3.156 -5.157 1.00 42.21 H new ATOM 0 HD3 ARG A 109 -6.999 2.680 -6.054 1.00 42.21 H new ATOM 0 HE ARG A 109 -9.221 2.612 -7.851 1.00 24.45 H new ATOM 0 HH11 ARG A 109 -7.318 4.983 -6.004 1.00 51.21 H new ATOM 0 HH12 ARG A 109 -7.606 6.280 -7.168 1.00 51.21 H new ATOM 0 HH21 ARG A 109 -9.529 4.286 -9.337 1.00 34.20 H new ATOM 0 HH22 ARG A 109 -8.846 5.887 -9.035 1.00 34.20 H new ATOM 1831 N ASP A 110 -9.812 2.590 -3.238 1.00 10.53 N ATOM 1832 CA ASP A 110 -10.111 4.006 -2.956 1.00 43.35 C ATOM 1833 C ASP A 110 -10.233 4.240 -1.449 1.00 10.15 C ATOM 1834 O ASP A 110 -9.720 5.225 -0.917 1.00 35.35 O ATOM 1835 CB ASP A 110 -11.402 4.450 -3.691 1.00 1.52 C ATOM 1836 CG ASP A 110 -11.749 5.927 -3.427 1.00 32.42 C ATOM 1837 OD1 ASP A 110 -11.035 6.811 -3.945 1.00 14.13 O ATOM 1838 OD2 ASP A 110 -12.711 6.211 -2.675 1.00 44.01 O ATOM 0 H ASP A 110 -10.536 2.117 -3.778 1.00 10.53 H new ATOM 0 HA ASP A 110 -9.285 4.612 -3.328 1.00 43.35 H new ATOM 0 HB2 ASP A 110 -11.278 4.295 -4.763 1.00 1.52 H new ATOM 0 HB3 ASP A 110 -12.233 3.822 -3.371 1.00 1.52 H new ATOM 1843 N LEU A 111 -10.903 3.295 -0.782 1.00 43.32 N ATOM 1844 CA LEU A 111 -11.116 3.328 0.670 1.00 11.32 C ATOM 1845 C LEU A 111 -9.779 3.117 1.422 1.00 22.41 C ATOM 1846 O LEU A 111 -9.444 3.891 2.317 1.00 64.32 O ATOM 1847 CB LEU A 111 -12.171 2.258 1.076 1.00 72.01 C ATOM 1848 CG LEU A 111 -12.701 2.330 2.547 1.00 15.32 C ATOM 1849 CD1 LEU A 111 -13.334 3.715 2.856 1.00 41.23 C ATOM 1850 CD2 LEU A 111 -13.702 1.172 2.836 1.00 74.53 C ATOM 0 H LEU A 111 -11.316 2.480 -1.236 1.00 43.32 H new ATOM 0 HA LEU A 111 -11.499 4.309 0.951 1.00 11.32 H new ATOM 0 HB2 LEU A 111 -13.023 2.344 0.401 1.00 72.01 H new ATOM 0 HB3 LEU A 111 -11.736 1.271 0.917 1.00 72.01 H new ATOM 0 HG LEU A 111 -11.847 2.208 3.214 1.00 15.32 H new ATOM 0 HD11 LEU A 111 -13.692 3.730 3.886 1.00 41.23 H new ATOM 0 HD12 LEU A 111 -12.585 4.496 2.720 1.00 41.23 H new ATOM 0 HD13 LEU A 111 -14.170 3.892 2.179 1.00 41.23 H new ATOM 0 HD21 LEU A 111 -14.055 1.245 3.865 1.00 74.53 H new ATOM 0 HD22 LEU A 111 -14.550 1.245 2.155 1.00 74.53 H new ATOM 0 HD23 LEU A 111 -13.202 0.214 2.691 1.00 74.53 H new ATOM 1862 N TRP A 112 -9.018 2.081 1.023 1.00 21.32 N ATOM 1863 CA TRP A 112 -7.724 1.727 1.662 1.00 34.03 C ATOM 1864 C TRP A 112 -6.671 2.840 1.531 1.00 35.05 C ATOM 1865 O TRP A 112 -6.086 3.257 2.537 1.00 63.42 O ATOM 1866 CB TRP A 112 -7.174 0.388 1.089 1.00 24.42 C ATOM 1867 CG TRP A 112 -7.734 -0.831 1.776 1.00 22.40 C ATOM 1868 CD1 TRP A 112 -8.771 -1.621 1.370 1.00 50.00 C ATOM 1869 CD2 TRP A 112 -7.272 -1.384 3.019 1.00 42.11 C ATOM 1870 NE1 TRP A 112 -8.986 -2.616 2.284 1.00 61.41 N ATOM 1871 CE2 TRP A 112 -8.074 -2.497 3.303 1.00 14.20 C ATOM 1872 CE3 TRP A 112 -6.249 -1.041 3.912 1.00 22.10 C ATOM 1873 CZ2 TRP A 112 -7.899 -3.269 4.452 1.00 2.34 C ATOM 1874 CZ3 TRP A 112 -6.071 -1.807 5.046 1.00 13.41 C ATOM 1875 CH2 TRP A 112 -6.890 -2.914 5.307 1.00 62.34 C ATOM 0 H TRP A 112 -9.276 1.464 0.252 1.00 21.32 H new ATOM 0 HA TRP A 112 -7.925 1.604 2.726 1.00 34.03 H new ATOM 0 HB2 TRP A 112 -7.405 0.335 0.025 1.00 24.42 H new ATOM 0 HB3 TRP A 112 -6.088 0.381 1.181 1.00 24.42 H new ATOM 0 HD1 TRP A 112 -9.338 -1.481 0.461 1.00 50.00 H new ATOM 0 HE1 TRP A 112 -9.709 -3.332 2.219 1.00 61.41 H new ATOM 0 HE3 TRP A 112 -5.611 -0.192 3.717 1.00 22.10 H new ATOM 0 HZ2 TRP A 112 -8.536 -4.116 4.660 1.00 2.34 H new ATOM 0 HZ3 TRP A 112 -5.288 -1.549 5.744 1.00 13.41 H new ATOM 0 HH2 TRP A 112 -6.722 -3.498 6.200 1.00 62.34 H new ATOM 1886 N VAL A 113 -6.436 3.306 0.294 1.00 64.30 N ATOM 1887 CA VAL A 113 -5.451 4.370 0.004 1.00 31.25 C ATOM 1888 C VAL A 113 -5.813 5.651 0.774 1.00 13.20 C ATOM 1889 O VAL A 113 -4.940 6.297 1.344 1.00 41.22 O ATOM 1890 CB VAL A 113 -5.343 4.665 -1.545 1.00 21.21 C ATOM 1891 CG1 VAL A 113 -4.366 5.819 -1.865 1.00 44.41 C ATOM 1892 CG2 VAL A 113 -4.931 3.398 -2.320 1.00 14.51 C ATOM 0 H VAL A 113 -6.920 2.959 -0.534 1.00 64.30 H new ATOM 0 HA VAL A 113 -4.474 4.018 0.336 1.00 31.25 H new ATOM 0 HB VAL A 113 -6.336 4.978 -1.868 1.00 21.21 H new ATOM 0 HG11 VAL A 113 -4.331 5.978 -2.943 1.00 44.41 H new ATOM 0 HG12 VAL A 113 -4.707 6.731 -1.374 1.00 44.41 H new ATOM 0 HG13 VAL A 113 -3.370 5.563 -1.504 1.00 44.41 H new ATOM 0 HG21 VAL A 113 -4.864 3.628 -3.383 1.00 14.51 H new ATOM 0 HG22 VAL A 113 -3.962 3.051 -1.962 1.00 14.51 H new ATOM 0 HG23 VAL A 113 -5.676 2.618 -2.164 1.00 14.51 H new ATOM 1902 N LYS A 114 -7.119 5.973 0.803 1.00 3.42 N ATOM 1903 CA LYS A 114 -7.663 7.111 1.576 1.00 14.23 C ATOM 1904 C LYS A 114 -7.263 7.045 3.063 1.00 35.54 C ATOM 1905 O LYS A 114 -6.718 8.014 3.608 1.00 53.10 O ATOM 1906 CB LYS A 114 -9.214 7.166 1.410 1.00 43.22 C ATOM 1907 CG LYS A 114 -9.983 7.921 2.517 1.00 61.12 C ATOM 1908 CD LYS A 114 -11.473 8.156 2.168 1.00 71.55 C ATOM 1909 CE LYS A 114 -11.649 9.149 1.004 1.00 42.12 C ATOM 1910 NZ LYS A 114 -11.075 10.492 1.324 1.00 62.21 N ATOM 0 H LYS A 114 -7.831 5.452 0.291 1.00 3.42 H new ATOM 0 HA LYS A 114 -7.230 8.029 1.179 1.00 14.23 H new ATOM 0 HB2 LYS A 114 -9.441 7.634 0.452 1.00 43.22 H new ATOM 0 HB3 LYS A 114 -9.592 6.145 1.363 1.00 43.22 H new ATOM 0 HG2 LYS A 114 -9.918 7.355 3.447 1.00 61.12 H new ATOM 0 HG3 LYS A 114 -9.501 8.883 2.695 1.00 61.12 H new ATOM 0 HD2 LYS A 114 -11.937 7.205 1.905 1.00 71.55 H new ATOM 0 HD3 LYS A 114 -11.995 8.533 3.047 1.00 71.55 H new ATOM 0 HE2 LYS A 114 -11.166 8.751 0.112 1.00 42.12 H new ATOM 0 HE3 LYS A 114 -12.709 9.253 0.773 1.00 42.12 H new ATOM 0 HZ1 LYS A 114 -11.790 11.226 1.146 1.00 62.21 H new ATOM 0 HZ2 LYS A 114 -10.792 10.519 2.324 1.00 62.21 H new ATOM 0 HZ3 LYS A 114 -10.243 10.666 0.724 1.00 62.21 H new ATOM 1924 N LYS A 115 -7.555 5.902 3.704 1.00 33.45 N ATOM 1925 CA LYS A 115 -7.270 5.690 5.137 1.00 2.03 C ATOM 1926 C LYS A 115 -5.768 5.848 5.431 1.00 42.41 C ATOM 1927 O LYS A 115 -5.384 6.547 6.368 1.00 31.44 O ATOM 1928 CB LYS A 115 -7.770 4.288 5.602 1.00 53.12 C ATOM 1929 CG LYS A 115 -9.294 4.061 5.464 1.00 23.43 C ATOM 1930 CD LYS A 115 -10.130 5.095 6.250 1.00 33.55 C ATOM 1931 CE LYS A 115 -11.641 4.926 6.025 1.00 3.11 C ATOM 1932 NZ LYS A 115 -12.433 5.924 6.791 1.00 3.32 N ATOM 0 H LYS A 115 -7.993 5.101 3.249 1.00 33.45 H new ATOM 0 HA LYS A 115 -7.810 6.452 5.699 1.00 2.03 H new ATOM 0 HB2 LYS A 115 -7.250 3.523 5.025 1.00 53.12 H new ATOM 0 HB3 LYS A 115 -7.489 4.146 6.646 1.00 53.12 H new ATOM 0 HG2 LYS A 115 -9.569 4.105 4.410 1.00 23.43 H new ATOM 0 HG3 LYS A 115 -9.540 3.059 5.816 1.00 23.43 H new ATOM 0 HD2 LYS A 115 -9.912 5.000 7.314 1.00 33.55 H new ATOM 0 HD3 LYS A 115 -9.832 6.100 5.952 1.00 33.55 H new ATOM 0 HE2 LYS A 115 -11.863 5.026 4.962 1.00 3.11 H new ATOM 0 HE3 LYS A 115 -11.941 3.921 6.320 1.00 3.11 H new ATOM 0 HZ1 LYS A 115 -13.446 5.775 6.611 1.00 3.32 H new ATOM 0 HZ2 LYS A 115 -12.242 5.813 7.807 1.00 3.32 H new ATOM 0 HZ3 LYS A 115 -12.166 6.883 6.491 1.00 3.32 H new ATOM 1946 N LEU A 116 -4.942 5.224 4.583 1.00 32.11 N ATOM 1947 CA LEU A 116 -3.480 5.181 4.753 1.00 51.21 C ATOM 1948 C LEU A 116 -2.849 6.584 4.591 1.00 51.35 C ATOM 1949 O LEU A 116 -2.044 6.983 5.426 1.00 53.44 O ATOM 1950 CB LEU A 116 -2.873 4.130 3.780 1.00 15.22 C ATOM 1951 CG LEU A 116 -3.219 2.636 4.122 1.00 34.02 C ATOM 1952 CD1 LEU A 116 -2.802 1.674 2.985 1.00 62.52 C ATOM 1953 CD2 LEU A 116 -2.567 2.216 5.464 1.00 13.02 C ATOM 0 H LEU A 116 -5.269 4.730 3.753 1.00 32.11 H new ATOM 0 HA LEU A 116 -3.246 4.868 5.770 1.00 51.21 H new ATOM 0 HB2 LEU A 116 -3.222 4.347 2.770 1.00 15.22 H new ATOM 0 HB3 LEU A 116 -1.789 4.245 3.774 1.00 15.22 H new ATOM 0 HG LEU A 116 -4.302 2.567 4.225 1.00 34.02 H new ATOM 0 HD11 LEU A 116 -3.059 0.651 3.261 1.00 62.52 H new ATOM 0 HD12 LEU A 116 -3.326 1.945 2.069 1.00 62.52 H new ATOM 0 HD13 LEU A 116 -1.727 1.747 2.823 1.00 62.52 H new ATOM 0 HD21 LEU A 116 -2.819 1.178 5.682 1.00 13.02 H new ATOM 0 HD22 LEU A 116 -1.484 2.319 5.390 1.00 13.02 H new ATOM 0 HD23 LEU A 116 -2.938 2.855 6.265 1.00 13.02 H new ATOM 1965 N LYS A 117 -3.202 7.307 3.508 1.00 72.43 N ATOM 1966 CA LYS A 117 -2.807 8.736 3.308 1.00 64.35 C ATOM 1967 C LYS A 117 -3.166 9.617 4.528 1.00 32.11 C ATOM 1968 O LYS A 117 -2.327 10.378 5.025 1.00 4.23 O ATOM 1969 CB LYS A 117 -3.469 9.326 2.029 1.00 24.12 C ATOM 1970 CG LYS A 117 -3.015 8.673 0.709 1.00 2.42 C ATOM 1971 CD LYS A 117 -3.814 9.179 -0.519 1.00 73.32 C ATOM 1972 CE LYS A 117 -3.501 10.634 -0.885 1.00 42.05 C ATOM 1973 NZ LYS A 117 -2.089 10.803 -1.292 1.00 74.11 N ATOM 0 H LYS A 117 -3.765 6.929 2.746 1.00 72.43 H new ATOM 0 HA LYS A 117 -1.723 8.744 3.190 1.00 64.35 H new ATOM 0 HB2 LYS A 117 -4.551 9.223 2.116 1.00 24.12 H new ATOM 0 HB3 LYS A 117 -3.253 10.393 1.984 1.00 24.12 H new ATOM 0 HG2 LYS A 117 -1.955 8.875 0.555 1.00 2.42 H new ATOM 0 HG3 LYS A 117 -3.125 7.591 0.788 1.00 2.42 H new ATOM 0 HD2 LYS A 117 -3.595 8.541 -1.375 1.00 73.32 H new ATOM 0 HD3 LYS A 117 -4.880 9.084 -0.315 1.00 73.32 H new ATOM 0 HE2 LYS A 117 -4.155 10.954 -1.696 1.00 42.05 H new ATOM 0 HE3 LYS A 117 -3.714 11.278 -0.032 1.00 42.05 H new ATOM 0 HZ1 LYS A 117 -1.878 11.815 -1.401 1.00 74.11 H new ATOM 0 HZ2 LYS A 117 -1.467 10.396 -0.565 1.00 74.11 H new ATOM 0 HZ3 LYS A 117 -1.928 10.316 -2.197 1.00 74.11 H new ATOM 1987 N GLU A 118 -4.420 9.493 5.000 1.00 21.34 N ATOM 1988 CA GLU A 118 -4.937 10.282 6.136 1.00 50.33 C ATOM 1989 C GLU A 118 -4.323 9.852 7.488 1.00 32.35 C ATOM 1990 O GLU A 118 -4.400 10.601 8.467 1.00 15.33 O ATOM 1991 CB GLU A 118 -6.491 10.244 6.167 1.00 11.43 C ATOM 1992 CG GLU A 118 -7.149 11.037 5.012 1.00 72.11 C ATOM 1993 CD GLU A 118 -8.687 10.974 4.990 1.00 65.14 C ATOM 1994 OE1 GLU A 118 -9.321 11.066 6.060 1.00 3.10 O ATOM 1995 OE2 GLU A 118 -9.279 10.852 3.892 1.00 43.54 O ATOM 0 H GLU A 118 -5.103 8.845 4.607 1.00 21.34 H new ATOM 0 HA GLU A 118 -4.626 11.315 5.981 1.00 50.33 H new ATOM 0 HB2 GLU A 118 -6.823 9.207 6.121 1.00 11.43 H new ATOM 0 HB3 GLU A 118 -6.838 10.647 7.118 1.00 11.43 H new ATOM 0 HG2 GLU A 118 -6.842 12.080 5.083 1.00 72.11 H new ATOM 0 HG3 GLU A 118 -6.769 10.657 4.064 1.00 72.11 H new ATOM 2002 N GLU A 119 -3.716 8.657 7.540 1.00 33.44 N ATOM 2003 CA GLU A 119 -2.910 8.222 8.699 1.00 62.52 C ATOM 2004 C GLU A 119 -1.503 8.827 8.642 1.00 41.03 C ATOM 2005 O GLU A 119 -1.021 9.381 9.638 1.00 1.13 O ATOM 2006 CB GLU A 119 -2.825 6.673 8.770 1.00 22.51 C ATOM 2007 CG GLU A 119 -4.106 5.985 9.267 1.00 71.15 C ATOM 2008 CD GLU A 119 -4.543 6.490 10.653 1.00 13.01 C ATOM 2009 OE1 GLU A 119 -3.843 6.211 11.645 1.00 60.21 O ATOM 2010 OE2 GLU A 119 -5.584 7.165 10.761 1.00 14.41 O ATOM 0 H GLU A 119 -3.767 7.968 6.789 1.00 33.44 H new ATOM 0 HA GLU A 119 -3.406 8.580 9.601 1.00 62.52 H new ATOM 0 HB2 GLU A 119 -2.583 6.290 7.779 1.00 22.51 H new ATOM 0 HB3 GLU A 119 -2.001 6.397 9.428 1.00 22.51 H new ATOM 0 HG2 GLU A 119 -4.909 6.158 8.551 1.00 71.15 H new ATOM 0 HG3 GLU A 119 -3.943 4.908 9.310 1.00 71.15 H new ATOM 2017 N ILE A 120 -0.861 8.743 7.465 1.00 53.40 N ATOM 2018 CA ILE A 120 0.558 9.093 7.304 1.00 45.42 C ATOM 2019 C ILE A 120 0.772 10.608 7.157 1.00 21.15 C ATOM 2020 O ILE A 120 1.908 11.074 7.182 1.00 72.33 O ATOM 2021 CB ILE A 120 1.229 8.313 6.111 1.00 41.54 C ATOM 2022 CG1 ILE A 120 0.670 8.779 4.723 1.00 13.21 C ATOM 2023 CG2 ILE A 120 1.056 6.786 6.306 1.00 71.25 C ATOM 2024 CD1 ILE A 120 1.299 8.105 3.509 1.00 53.45 C ATOM 0 H ILE A 120 -1.309 8.432 6.603 1.00 53.40 H new ATOM 0 HA ILE A 120 1.053 8.781 8.224 1.00 45.42 H new ATOM 0 HB ILE A 120 2.294 8.543 6.114 1.00 41.54 H new ATOM 0 HG12 ILE A 120 -0.405 8.597 4.703 1.00 13.21 H new ATOM 0 HG13 ILE A 120 0.813 9.856 4.635 1.00 13.21 H new ATOM 0 HG21 ILE A 120 1.524 6.258 5.475 1.00 71.25 H new ATOM 0 HG22 ILE A 120 1.528 6.483 7.241 1.00 71.25 H new ATOM 0 HG23 ILE A 120 -0.006 6.541 6.340 1.00 71.25 H new ATOM 0 HD11 ILE A 120 0.844 8.496 2.599 1.00 53.45 H new ATOM 0 HD12 ILE A 120 2.370 8.307 3.495 1.00 53.45 H new ATOM 0 HD13 ILE A 120 1.133 7.029 3.564 1.00 53.45 H new ATOM 2036 N LYS A 121 -0.319 11.384 7.051 1.00 33.52 N ATOM 2037 CA LYS A 121 -0.226 12.861 7.019 1.00 23.11 C ATOM 2038 C LYS A 121 0.116 13.430 8.408 1.00 44.33 C ATOM 2039 O LYS A 121 0.496 14.594 8.541 1.00 62.52 O ATOM 2040 CB LYS A 121 -1.522 13.488 6.458 1.00 44.22 C ATOM 2041 CG LYS A 121 -2.780 13.311 7.331 1.00 53.20 C ATOM 2042 CD LYS A 121 -4.031 13.933 6.674 1.00 35.34 C ATOM 2043 CE LYS A 121 -5.277 13.857 7.563 1.00 25.33 C ATOM 2044 NZ LYS A 121 -6.478 14.411 6.890 1.00 55.14 N ATOM 0 H LYS A 121 -1.270 11.021 6.986 1.00 33.52 H new ATOM 0 HA LYS A 121 0.589 13.128 6.346 1.00 23.11 H new ATOM 0 HB2 LYS A 121 -1.353 14.554 6.308 1.00 44.22 H new ATOM 0 HB3 LYS A 121 -1.719 13.055 5.477 1.00 44.22 H new ATOM 0 HG2 LYS A 121 -2.953 12.249 7.507 1.00 53.20 H new ATOM 0 HG3 LYS A 121 -2.614 13.773 8.304 1.00 53.20 H new ATOM 0 HD2 LYS A 121 -3.827 14.976 6.433 1.00 35.34 H new ATOM 0 HD3 LYS A 121 -4.232 13.422 5.732 1.00 35.34 H new ATOM 0 HE2 LYS A 121 -5.463 12.819 7.838 1.00 25.33 H new ATOM 0 HE3 LYS A 121 -5.096 14.404 8.488 1.00 25.33 H new ATOM 0 HZ1 LYS A 121 -7.331 14.131 7.415 1.00 55.14 H new ATOM 0 HZ2 LYS A 121 -6.413 15.449 6.863 1.00 55.14 H new ATOM 0 HZ3 LYS A 121 -6.533 14.042 5.919 1.00 55.14 H new ATOM 2058 N ASN A 122 -0.007 12.567 9.427 1.00 60.55 N ATOM 2059 CA ASN A 122 0.374 12.869 10.812 1.00 43.01 C ATOM 2060 C ASN A 122 1.843 12.447 11.076 1.00 13.42 C ATOM 2061 O ASN A 122 2.327 12.570 12.202 1.00 71.32 O ATOM 2062 CB ASN A 122 -0.592 12.146 11.786 1.00 2.21 C ATOM 2063 CG ASN A 122 -2.065 12.523 11.559 1.00 74.54 C ATOM 2064 OD1 ASN A 122 -2.572 13.476 12.152 1.00 31.23 O ATOM 2065 ND2 ASN A 122 -2.757 11.775 10.698 1.00 30.41 N ATOM 0 H ASN A 122 -0.380 11.625 9.309 1.00 60.55 H new ATOM 0 HA ASN A 122 0.300 13.944 10.977 1.00 43.01 H new ATOM 0 HB2 ASN A 122 -0.476 11.068 11.671 1.00 2.21 H new ATOM 0 HB3 ASN A 122 -0.314 12.389 12.812 1.00 2.21 H new ATOM 0 HD21 ASN A 122 -3.738 11.985 10.513 1.00 30.41 H new ATOM 0 HD22 ASN A 122 -2.305 10.993 10.224 1.00 30.41 H new ATOM 2072 N ASN A 123 2.542 11.943 10.033 1.00 51.43 N ATOM 2073 CA ASN A 123 3.972 11.547 10.111 1.00 40.52 C ATOM 2074 C ASN A 123 4.844 12.641 9.476 1.00 51.12 C ATOM 2075 O ASN A 123 4.381 13.389 8.614 1.00 74.14 O ATOM 2076 CB ASN A 123 4.241 10.209 9.366 1.00 40.45 C ATOM 2077 CG ASN A 123 3.383 9.032 9.805 1.00 71.00 C ATOM 2078 OD1 ASN A 123 2.866 8.995 10.916 1.00 15.05 O ATOM 2079 ND2 ASN A 123 3.262 8.037 8.938 1.00 14.41 N ATOM 0 H ASN A 123 2.132 11.798 9.111 1.00 51.43 H new ATOM 0 HA ASN A 123 4.219 11.415 11.164 1.00 40.52 H new ATOM 0 HB2 ASN A 123 4.088 10.370 8.299 1.00 40.45 H new ATOM 0 HB3 ASN A 123 5.289 9.942 9.501 1.00 40.45 H new ATOM 0 HD21 ASN A 123 2.725 7.206 9.187 1.00 14.41 H new ATOM 0 HD22 ASN A 123 3.706 8.102 8.022 1.00 14.41 H new ATOM 2086 N ASN A 124 6.120 12.704 9.893 1.00 43.13 N ATOM 2087 CA ASN A 124 7.104 13.694 9.396 1.00 14.25 C ATOM 2088 C ASN A 124 8.178 13.009 8.518 1.00 4.21 C ATOM 2089 O ASN A 124 9.148 13.647 8.101 1.00 23.24 O ATOM 2090 CB ASN A 124 7.779 14.431 10.596 1.00 50.05 C ATOM 2091 CG ASN A 124 6.789 15.052 11.587 1.00 44.10 C ATOM 2092 OD1 ASN A 124 5.662 15.390 11.236 1.00 22.02 O ATOM 2093 ND2 ASN A 124 7.212 15.220 12.835 1.00 21.43 N ATOM 0 H ASN A 124 6.505 12.066 10.590 1.00 43.13 H new ATOM 0 HA ASN A 124 6.576 14.424 8.783 1.00 14.25 H new ATOM 0 HB2 ASN A 124 8.416 13.726 11.130 1.00 50.05 H new ATOM 0 HB3 ASN A 124 8.428 15.216 10.208 1.00 50.05 H new ATOM 0 HD21 ASN A 124 6.595 15.640 13.531 1.00 21.43 H new ATOM 0 HD22 ASN A 124 8.154 14.929 13.098 1.00 21.43 H new ATOM 2100 N ASN A 125 7.976 11.719 8.201 1.00 52.41 N ATOM 2101 CA ASN A 125 8.948 10.904 7.426 1.00 20.34 C ATOM 2102 C ASN A 125 8.534 10.828 5.941 1.00 50.52 C ATOM 2103 O ASN A 125 9.151 10.105 5.148 1.00 43.13 O ATOM 2104 CB ASN A 125 9.053 9.474 8.034 1.00 24.34 C ATOM 2105 CG ASN A 125 7.779 8.622 7.888 1.00 3.21 C ATOM 2106 OD1 ASN A 125 6.673 9.140 7.849 1.00 32.24 O ATOM 2107 ND2 ASN A 125 7.931 7.311 7.796 1.00 22.55 N ATOM 0 H ASN A 125 7.137 11.205 8.471 1.00 52.41 H new ATOM 0 HA ASN A 125 9.925 11.383 7.484 1.00 20.34 H new ATOM 0 HB2 ASN A 125 9.881 8.950 7.557 1.00 24.34 H new ATOM 0 HB3 ASN A 125 9.298 9.560 9.093 1.00 24.34 H new ATOM 0 HD21 ASN A 125 7.114 6.709 7.690 1.00 22.55 H new ATOM 0 HD22 ASN A 125 8.865 6.902 7.831 1.00 22.55 H new ATOM 2114 N ILE A 126 7.518 11.627 5.576 1.00 4.23 N ATOM 2115 CA ILE A 126 6.819 11.494 4.295 1.00 4.34 C ATOM 2116 C ILE A 126 7.677 12.003 3.142 1.00 33.35 C ATOM 2117 O ILE A 126 8.159 13.144 3.170 1.00 30.33 O ATOM 2118 CB ILE A 126 5.430 12.238 4.323 1.00 20.20 C ATOM 2119 CG1 ILE A 126 4.549 11.651 5.463 1.00 73.14 C ATOM 2120 CG2 ILE A 126 4.691 12.165 2.954 1.00 74.22 C ATOM 2121 CD1 ILE A 126 4.327 10.138 5.376 1.00 43.53 C ATOM 0 H ILE A 126 7.161 12.381 6.163 1.00 4.23 H new ATOM 0 HA ILE A 126 6.631 10.432 4.134 1.00 4.34 H new ATOM 0 HB ILE A 126 5.618 13.294 4.516 1.00 20.20 H new ATOM 0 HG12 ILE A 126 5.014 11.883 6.421 1.00 73.14 H new ATOM 0 HG13 ILE A 126 3.580 12.149 5.450 1.00 73.14 H new ATOM 0 HG21 ILE A 126 3.740 12.692 3.025 1.00 74.22 H new ATOM 0 HG22 ILE A 126 5.306 12.629 2.183 1.00 74.22 H new ATOM 0 HG23 ILE A 126 4.509 11.122 2.694 1.00 74.22 H new ATOM 0 HD11 ILE A 126 3.703 9.813 6.209 1.00 43.53 H new ATOM 0 HD12 ILE A 126 3.832 9.896 4.436 1.00 43.53 H new ATOM 0 HD13 ILE A 126 5.288 9.626 5.422 1.00 43.53 H new ATOM 2133 N MET A 127 7.865 11.133 2.146 1.00 42.43 N ATOM 2134 CA MET A 127 8.577 11.454 0.922 1.00 55.44 C ATOM 2135 C MET A 127 7.670 12.349 0.065 1.00 1.13 C ATOM 2136 O MET A 127 6.562 11.943 -0.312 1.00 23.51 O ATOM 2137 CB MET A 127 8.945 10.147 0.169 1.00 43.01 C ATOM 2138 CG MET A 127 9.917 9.220 0.926 1.00 12.30 C ATOM 2139 SD MET A 127 9.993 7.535 0.251 1.00 0.23 S ATOM 2140 CE MET A 127 10.385 7.828 -1.469 1.00 31.21 C ATOM 0 H MET A 127 7.519 10.174 2.175 1.00 42.43 H new ATOM 0 HA MET A 127 9.505 11.982 1.142 1.00 55.44 H new ATOM 0 HB2 MET A 127 8.029 9.595 -0.043 1.00 43.01 H new ATOM 0 HB3 MET A 127 9.388 10.410 -0.792 1.00 43.01 H new ATOM 0 HG2 MET A 127 10.915 9.657 0.902 1.00 12.30 H new ATOM 0 HG3 MET A 127 9.616 9.170 1.973 1.00 12.30 H new ATOM 0 HE1 MET A 127 10.702 6.895 -1.934 1.00 31.21 H new ATOM 0 HE2 MET A 127 9.503 8.208 -1.984 1.00 31.21 H new ATOM 0 HE3 MET A 127 11.190 8.560 -1.539 1.00 31.21 H new ATOM 2150 N ILE A 128 8.147 13.572 -0.208 1.00 64.30 N ATOM 2151 CA ILE A 128 7.419 14.575 -1.008 1.00 32.03 C ATOM 2152 C ILE A 128 7.264 14.085 -2.464 1.00 65.43 C ATOM 2153 O ILE A 128 6.387 14.544 -3.198 1.00 32.33 O ATOM 2154 CB ILE A 128 8.170 15.965 -0.957 1.00 43.20 C ATOM 2155 CG1 ILE A 128 8.415 16.399 0.527 1.00 41.12 C ATOM 2156 CG2 ILE A 128 7.420 17.078 -1.736 1.00 34.41 C ATOM 2157 CD1 ILE A 128 7.152 16.568 1.369 1.00 63.33 C ATOM 0 H ILE A 128 9.056 13.898 0.121 1.00 64.30 H new ATOM 0 HA ILE A 128 6.423 14.710 -0.586 1.00 32.03 H new ATOM 0 HB ILE A 128 9.131 15.827 -1.453 1.00 43.20 H new ATOM 0 HG12 ILE A 128 9.055 15.658 1.005 1.00 41.12 H new ATOM 0 HG13 ILE A 128 8.963 17.341 0.528 1.00 41.12 H new ATOM 0 HG21 ILE A 128 7.980 18.011 -1.668 1.00 34.41 H new ATOM 0 HG22 ILE A 128 7.324 16.788 -2.782 1.00 34.41 H new ATOM 0 HG23 ILE A 128 6.428 17.218 -1.306 1.00 34.41 H new ATOM 0 HD11 ILE A 128 7.426 16.870 2.380 1.00 63.33 H new ATOM 0 HD12 ILE A 128 6.516 17.332 0.922 1.00 63.33 H new ATOM 0 HD13 ILE A 128 6.611 15.623 1.407 1.00 63.33 H new ATOM 2169 N LYS A 129 8.132 13.133 -2.851 1.00 51.32 N ATOM 2170 CA LYS A 129 8.129 12.483 -4.168 1.00 1.42 C ATOM 2171 C LYS A 129 8.146 10.947 -3.949 1.00 25.33 C ATOM 2172 O LYS A 129 8.814 10.444 -3.043 1.00 14.45 O ATOM 2173 CB LYS A 129 9.353 12.925 -5.043 1.00 54.01 C ATOM 2174 CG LYS A 129 9.243 14.289 -5.780 1.00 60.42 C ATOM 2175 CD LYS A 129 9.256 15.516 -4.848 1.00 72.12 C ATOM 2176 CE LYS A 129 9.069 16.842 -5.598 1.00 74.14 C ATOM 2177 NZ LYS A 129 10.159 17.100 -6.563 1.00 50.52 N ATOM 0 H LYS A 129 8.872 12.788 -2.239 1.00 51.32 H new ATOM 0 HA LYS A 129 7.232 12.783 -4.710 1.00 1.42 H new ATOM 0 HB2 LYS A 129 10.233 12.958 -4.401 1.00 54.01 H new ATOM 0 HB3 LYS A 129 9.532 12.151 -5.789 1.00 54.01 H new ATOM 0 HG2 LYS A 129 10.069 14.375 -6.486 1.00 60.42 H new ATOM 0 HG3 LYS A 129 8.322 14.300 -6.363 1.00 60.42 H new ATOM 0 HD2 LYS A 129 8.464 15.410 -4.106 1.00 72.12 H new ATOM 0 HD3 LYS A 129 10.201 15.542 -4.305 1.00 72.12 H new ATOM 0 HE2 LYS A 129 8.116 16.827 -6.126 1.00 74.14 H new ATOM 0 HE3 LYS A 129 9.022 17.660 -4.879 1.00 74.14 H new ATOM 0 HZ1 LYS A 129 10.025 18.036 -6.995 1.00 50.52 H new ATOM 0 HZ2 LYS A 129 11.074 17.074 -6.069 1.00 50.52 H new ATOM 0 HZ3 LYS A 129 10.146 16.371 -7.305 1.00 50.52 H new ATOM 2191 N TYR A 130 7.429 10.231 -4.822 1.00 12.43 N ATOM 2192 CA TYR A 130 7.284 8.762 -4.805 1.00 20.45 C ATOM 2193 C TYR A 130 7.479 8.231 -6.241 1.00 72.13 C ATOM 2194 O TYR A 130 7.726 9.009 -7.171 1.00 14.12 O ATOM 2195 CB TYR A 130 5.886 8.356 -4.237 1.00 74.53 C ATOM 2196 CG TYR A 130 4.686 8.482 -5.212 1.00 25.41 C ATOM 2197 CD1 TYR A 130 4.460 9.643 -5.959 1.00 72.54 C ATOM 2198 CD2 TYR A 130 3.768 7.436 -5.363 1.00 15.21 C ATOM 2199 CE1 TYR A 130 3.394 9.745 -6.817 1.00 1.22 C ATOM 2200 CE2 TYR A 130 2.697 7.541 -6.224 1.00 13.22 C ATOM 2201 CZ TYR A 130 2.516 8.699 -6.942 1.00 63.00 C ATOM 2202 OH TYR A 130 1.449 8.813 -7.796 1.00 11.22 O ATOM 0 H TYR A 130 6.915 10.668 -5.587 1.00 12.43 H new ATOM 0 HA TYR A 130 8.039 8.321 -4.154 1.00 20.45 H new ATOM 0 HB2 TYR A 130 5.942 7.322 -3.895 1.00 74.53 H new ATOM 0 HB3 TYR A 130 5.681 8.971 -3.361 1.00 74.53 H new ATOM 0 HD1 TYR A 130 5.139 10.477 -5.858 1.00 72.54 H new ATOM 0 HD2 TYR A 130 3.902 6.528 -4.793 1.00 15.21 H new ATOM 0 HE1 TYR A 130 3.247 10.647 -7.393 1.00 1.22 H new ATOM 0 HE2 TYR A 130 2.005 6.719 -6.334 1.00 13.22 H new ATOM 0 HH TYR A 130 0.648 9.058 -7.288 1.00 11.22 H new ATOM 2212 N HIS A 131 7.414 6.907 -6.401 1.00 4.12 N ATOM 2213 CA HIS A 131 7.442 6.257 -7.725 1.00 54.45 C ATOM 2214 C HIS A 131 6.030 5.762 -8.072 1.00 4.22 C ATOM 2215 O HIS A 131 5.412 5.105 -7.244 1.00 63.34 O ATOM 2216 CB HIS A 131 8.453 5.093 -7.697 1.00 54.45 C ATOM 2217 CG HIS A 131 9.814 5.554 -7.242 1.00 2.43 C ATOM 2218 ND1 HIS A 131 10.689 6.146 -8.116 1.00 13.12 N ATOM 2219 CD2 HIS A 131 10.349 5.582 -5.998 1.00 4.45 C ATOM 2220 CE1 HIS A 131 11.715 6.532 -7.397 1.00 41.34 C ATOM 2221 NE2 HIS A 131 11.555 6.211 -6.104 1.00 2.44 N ATOM 0 H HIS A 131 7.341 6.252 -5.622 1.00 4.12 H new ATOM 0 HA HIS A 131 7.756 6.965 -8.492 1.00 54.45 H new ATOM 0 HB2 HIS A 131 8.091 4.311 -7.030 1.00 54.45 H new ATOM 0 HB3 HIS A 131 8.530 4.653 -8.691 1.00 54.45 H new ATOM 0 HD2 HIS A 131 9.907 5.184 -5.097 1.00 4.45 H new ATOM 0 HE1 HIS A 131 12.579 7.043 -7.795 1.00 41.34 H new ATOM 0 HE2 HIS A 131 12.210 6.401 -5.345 1.00 2.44 H new ATOM 2229 N PRO A 132 5.480 6.097 -9.278 1.00 35.10 N ATOM 2230 CA PRO A 132 4.109 5.698 -9.678 1.00 12.51 C ATOM 2231 C PRO A 132 4.040 4.270 -10.270 1.00 73.23 C ATOM 2232 O PRO A 132 2.951 3.697 -10.397 1.00 52.13 O ATOM 2233 CB PRO A 132 3.776 6.766 -10.743 1.00 43.32 C ATOM 2234 CG PRO A 132 5.079 7.023 -11.426 1.00 31.43 C ATOM 2235 CD PRO A 132 6.140 6.905 -10.348 1.00 14.32 C ATOM 0 HA PRO A 132 3.414 5.659 -8.839 1.00 12.51 H new ATOM 0 HB2 PRO A 132 3.023 6.407 -11.445 1.00 43.32 H new ATOM 0 HB3 PRO A 132 3.380 7.673 -10.287 1.00 43.32 H new ATOM 0 HG2 PRO A 132 5.251 6.302 -12.225 1.00 31.43 H new ATOM 0 HG3 PRO A 132 5.093 8.013 -11.882 1.00 31.43 H new ATOM 0 HD2 PRO A 132 7.037 6.413 -10.723 1.00 14.32 H new ATOM 0 HD3 PRO A 132 6.444 7.884 -9.978 1.00 14.32 H new ATOM 2243 N LYS A 133 5.210 3.711 -10.637 1.00 24.44 N ATOM 2244 CA LYS A 133 5.307 2.406 -11.319 1.00 42.13 C ATOM 2245 C LYS A 133 5.637 1.289 -10.297 1.00 13.51 C ATOM 2246 O LYS A 133 5.611 1.520 -9.084 1.00 40.33 O ATOM 2247 CB LYS A 133 6.409 2.468 -12.423 1.00 63.11 C ATOM 2248 CG LYS A 133 6.409 3.737 -13.311 1.00 3.35 C ATOM 2249 CD LYS A 133 5.103 4.012 -14.104 1.00 12.43 C ATOM 2250 CE LYS A 133 4.769 2.969 -15.188 1.00 74.15 C ATOM 2251 NZ LYS A 133 4.176 1.735 -14.626 1.00 61.23 N ATOM 0 H LYS A 133 6.114 4.152 -10.469 1.00 24.44 H new ATOM 0 HA LYS A 133 4.348 2.178 -11.785 1.00 42.13 H new ATOM 0 HB2 LYS A 133 7.383 2.386 -11.941 1.00 63.11 H new ATOM 0 HB3 LYS A 133 6.298 1.597 -13.069 1.00 63.11 H new ATOM 0 HG2 LYS A 133 6.614 4.600 -12.677 1.00 3.35 H new ATOM 0 HG3 LYS A 133 7.232 3.660 -14.021 1.00 3.35 H new ATOM 0 HD2 LYS A 133 4.272 4.062 -13.400 1.00 12.43 H new ATOM 0 HD3 LYS A 133 5.181 4.992 -14.575 1.00 12.43 H new ATOM 0 HE2 LYS A 133 4.076 3.406 -15.907 1.00 74.15 H new ATOM 0 HE3 LYS A 133 5.677 2.715 -15.735 1.00 74.15 H new ATOM 0 HZ1 LYS A 133 3.506 1.329 -15.310 1.00 61.23 H new ATOM 0 HZ2 LYS A 133 4.930 1.046 -14.430 1.00 61.23 H new ATOM 0 HZ3 LYS A 133 3.675 1.961 -13.743 1.00 61.23 H new ATOM 2265 N PHE A 134 5.951 0.086 -10.814 1.00 24.21 N ATOM 2266 CA PHE A 134 6.404 -1.058 -10.011 1.00 2.44 C ATOM 2267 C PHE A 134 7.946 -1.063 -9.991 1.00 70.13 C ATOM 2268 O PHE A 134 8.575 -0.705 -10.992 1.00 50.14 O ATOM 2269 CB PHE A 134 5.883 -2.396 -10.615 1.00 53.54 C ATOM 2270 CG PHE A 134 4.362 -2.599 -10.545 1.00 24.43 C ATOM 2271 CD1 PHE A 134 3.775 -3.169 -9.417 1.00 33.23 C ATOM 2272 CD2 PHE A 134 3.527 -2.235 -11.605 1.00 14.51 C ATOM 2273 CE1 PHE A 134 2.412 -3.361 -9.339 1.00 22.50 C ATOM 2274 CE2 PHE A 134 2.157 -2.426 -11.530 1.00 55.50 C ATOM 2275 CZ PHE A 134 1.600 -2.995 -10.397 1.00 21.15 C ATOM 0 H PHE A 134 5.896 -0.118 -11.812 1.00 24.21 H new ATOM 0 HA PHE A 134 6.011 -0.966 -8.998 1.00 2.44 H new ATOM 0 HB2 PHE A 134 6.193 -2.449 -11.659 1.00 53.54 H new ATOM 0 HB3 PHE A 134 6.368 -3.223 -10.096 1.00 53.54 H new ATOM 0 HD1 PHE A 134 4.400 -3.466 -8.588 1.00 33.23 H new ATOM 0 HD2 PHE A 134 3.956 -1.799 -12.495 1.00 14.51 H new ATOM 0 HE1 PHE A 134 1.978 -3.797 -8.451 1.00 22.50 H new ATOM 0 HE2 PHE A 134 1.524 -2.132 -12.354 1.00 55.50 H new ATOM 0 HZ PHE A 134 0.533 -3.153 -10.340 1.00 21.15 H new ATOM 2285 N TRP A 135 8.546 -1.488 -8.863 1.00 15.41 N ATOM 2286 CA TRP A 135 10.015 -1.658 -8.731 1.00 23.24 C ATOM 2287 C TRP A 135 10.465 -3.038 -9.259 1.00 74.30 C ATOM 2288 O TRP A 135 11.394 -3.656 -8.715 1.00 74.31 O ATOM 2289 CB TRP A 135 10.452 -1.446 -7.241 1.00 43.10 C ATOM 2290 CG TRP A 135 10.657 -0.007 -6.831 1.00 4.22 C ATOM 2291 CD1 TRP A 135 10.582 1.107 -7.623 1.00 23.53 C ATOM 2292 CD2 TRP A 135 10.998 0.459 -5.520 1.00 11.53 C ATOM 2293 NE1 TRP A 135 10.858 2.226 -6.888 1.00 41.14 N ATOM 2294 CE2 TRP A 135 11.107 1.860 -5.592 1.00 22.03 C ATOM 2295 CE3 TRP A 135 11.211 -0.176 -4.293 1.00 2.12 C ATOM 2296 CZ2 TRP A 135 11.430 2.634 -4.485 1.00 73.24 C ATOM 2297 CZ3 TRP A 135 11.531 0.595 -3.196 1.00 24.15 C ATOM 2298 CH2 TRP A 135 11.632 1.989 -3.298 1.00 24.21 C ATOM 0 H TRP A 135 8.031 -1.724 -8.015 1.00 15.41 H new ATOM 0 HA TRP A 135 10.508 -0.902 -9.342 1.00 23.24 H new ATOM 0 HB2 TRP A 135 9.697 -1.889 -6.591 1.00 43.10 H new ATOM 0 HB3 TRP A 135 11.380 -1.992 -7.070 1.00 43.10 H new ATOM 0 HD1 TRP A 135 10.340 1.102 -8.676 1.00 23.53 H new ATOM 0 HE1 TRP A 135 10.876 3.180 -7.247 1.00 41.14 H new ATOM 0 HE3 TRP A 135 11.127 -1.249 -4.206 1.00 2.12 H new ATOM 0 HZ2 TRP A 135 11.518 3.708 -4.560 1.00 73.24 H new ATOM 0 HZ3 TRP A 135 11.707 0.117 -2.243 1.00 24.15 H new ATOM 0 HH2 TRP A 135 11.875 2.566 -2.418 1.00 24.21 H new ATOM 2309 N THR A 136 9.821 -3.494 -10.348 1.00 42.34 N ATOM 2310 CA THR A 136 10.242 -4.677 -11.079 1.00 41.30 C ATOM 2311 C THR A 136 11.560 -4.337 -11.796 1.00 24.42 C ATOM 2312 O THR A 136 11.619 -3.311 -12.488 1.00 22.52 O ATOM 2313 CB THR A 136 9.158 -5.105 -12.137 1.00 72.43 C ATOM 2314 OG1 THR A 136 7.834 -4.842 -11.648 1.00 32.14 O ATOM 2315 CG2 THR A 136 9.266 -6.595 -12.508 1.00 43.31 C ATOM 0 H THR A 136 8.993 -3.043 -10.738 1.00 42.34 H new ATOM 0 HA THR A 136 10.375 -5.509 -10.387 1.00 41.30 H new ATOM 0 HB THR A 136 9.347 -4.511 -13.031 1.00 72.43 H new ATOM 0 HG1 THR A 136 7.176 -5.114 -12.322 1.00 32.14 H new ATOM 0 HG21 THR A 136 8.498 -6.844 -13.241 1.00 43.31 H new ATOM 0 HG22 THR A 136 10.250 -6.794 -12.932 1.00 43.31 H new ATOM 0 HG23 THR A 136 9.126 -7.203 -11.615 1.00 43.31 H new ATOM 2323 N ASP A 137 12.598 -5.166 -11.609 1.00 51.52 N ATOM 2324 CA ASP A 137 13.938 -4.932 -12.203 1.00 1.45 C ATOM 2325 C ASP A 137 13.845 -4.731 -13.738 1.00 21.43 C ATOM 2326 O ASP A 137 13.099 -5.450 -14.423 1.00 11.11 O ATOM 2327 CB ASP A 137 14.897 -6.099 -11.862 1.00 71.14 C ATOM 2328 CG ASP A 137 14.445 -7.438 -12.463 1.00 24.20 C ATOM 2329 OD1 ASP A 137 13.457 -8.015 -11.964 1.00 41.24 O ATOM 2330 OD2 ASP A 137 15.070 -7.928 -13.435 1.00 75.30 O ATOM 0 H ASP A 137 12.541 -6.015 -11.046 1.00 51.52 H new ATOM 0 HA ASP A 137 14.340 -4.016 -11.770 1.00 1.45 H new ATOM 0 HB2 ASP A 137 15.896 -5.861 -12.228 1.00 71.14 H new ATOM 0 HB3 ASP A 137 14.970 -6.198 -10.779 1.00 71.14 H new ATOM 2335 N GLY A 138 14.597 -3.741 -14.252 1.00 3.11 N ATOM 2336 CA GLY A 138 14.479 -3.322 -15.647 1.00 41.24 C ATOM 2337 C GLY A 138 13.137 -2.648 -15.894 1.00 35.05 C ATOM 2338 O GLY A 138 12.918 -1.538 -15.392 1.00 40.14 O ATOM 0 H GLY A 138 15.291 -3.220 -13.716 1.00 3.11 H new ATOM 0 HA2 GLY A 138 15.288 -2.635 -15.895 1.00 41.24 H new ATOM 0 HA3 GLY A 138 14.583 -4.187 -16.302 1.00 41.24 H new ATOM 2342 N SER A 139 12.258 -3.322 -16.670 1.00 10.24 N ATOM 2343 CA SER A 139 10.834 -2.948 -16.843 1.00 43.21 C ATOM 2344 C SER A 139 10.635 -1.542 -17.447 1.00 12.14 C ATOM 2345 O SER A 139 11.585 -0.912 -17.928 1.00 21.23 O ATOM 2346 CB SER A 139 10.114 -3.081 -15.483 1.00 74.14 C ATOM 2347 OG SER A 139 10.233 -4.405 -15.002 1.00 23.04 O ATOM 0 H SER A 139 12.521 -4.152 -17.201 1.00 10.24 H new ATOM 0 HA SER A 139 10.396 -3.634 -17.568 1.00 43.21 H new ATOM 0 HB2 SER A 139 10.545 -2.384 -14.764 1.00 74.14 H new ATOM 0 HB3 SER A 139 9.062 -2.818 -15.592 1.00 74.14 H new ATOM 0 HG SER A 139 11.170 -4.591 -14.784 1.00 23.04 H new ATOM 2353 N TYR A 140 9.369 -1.076 -17.457 1.00 53.51 N ATOM 2354 CA TYR A 140 9.032 0.305 -17.809 1.00 13.14 C ATOM 2355 C TYR A 140 8.834 1.095 -16.501 1.00 61.31 C ATOM 2356 O TYR A 140 7.755 1.641 -16.222 1.00 23.43 O ATOM 2357 CB TYR A 140 7.776 0.338 -18.734 1.00 0.15 C ATOM 2358 CG TYR A 140 7.457 1.732 -19.320 1.00 4.21 C ATOM 2359 CD1 TYR A 140 8.319 2.321 -20.241 1.00 3.42 C ATOM 2360 CD2 TYR A 140 6.320 2.457 -18.939 1.00 24.10 C ATOM 2361 CE1 TYR A 140 8.063 3.575 -20.761 1.00 41.21 C ATOM 2362 CE2 TYR A 140 6.062 3.709 -19.456 1.00 25.05 C ATOM 2363 CZ TYR A 140 6.932 4.266 -20.367 1.00 75.20 C ATOM 2364 OH TYR A 140 6.670 5.519 -20.887 1.00 64.24 O ATOM 0 H TYR A 140 8.559 -1.650 -17.221 1.00 53.51 H new ATOM 0 HA TYR A 140 9.836 0.773 -18.377 1.00 13.14 H new ATOM 0 HB2 TYR A 140 7.925 -0.363 -19.555 1.00 0.15 H new ATOM 0 HB3 TYR A 140 6.913 -0.012 -18.168 1.00 0.15 H new ATOM 0 HD1 TYR A 140 9.204 1.788 -20.555 1.00 3.42 H new ATOM 0 HD2 TYR A 140 5.632 2.027 -18.226 1.00 24.10 H new ATOM 0 HE1 TYR A 140 8.745 4.015 -21.474 1.00 41.21 H new ATOM 0 HE2 TYR A 140 5.180 4.251 -19.148 1.00 25.05 H new ATOM 0 HH TYR A 140 5.836 5.864 -20.506 1.00 64.24 H new ATOM 2374 N GLN A 141 9.895 1.093 -15.669 1.00 42.30 N ATOM 2375 CA GLN A 141 9.946 1.891 -14.434 1.00 42.24 C ATOM 2376 C GLN A 141 10.039 3.386 -14.785 1.00 52.31 C ATOM 2377 O GLN A 141 10.429 3.756 -15.904 1.00 50.50 O ATOM 2378 CB GLN A 141 11.152 1.491 -13.542 1.00 53.11 C ATOM 2379 CG GLN A 141 11.131 0.052 -13.001 1.00 70.53 C ATOM 2380 CD GLN A 141 12.306 -0.234 -12.053 1.00 25.41 C ATOM 2381 OE1 GLN A 141 12.209 -0.033 -10.846 1.00 44.42 O ATOM 2382 NE2 GLN A 141 13.428 -0.694 -12.597 1.00 0.22 N ATOM 0 H GLN A 141 10.736 0.540 -15.836 1.00 42.30 H new ATOM 0 HA GLN A 141 9.032 1.696 -13.873 1.00 42.24 H new ATOM 0 HB2 GLN A 141 12.068 1.631 -14.117 1.00 53.11 H new ATOM 0 HB3 GLN A 141 11.199 2.177 -12.696 1.00 53.11 H new ATOM 0 HG2 GLN A 141 10.192 -0.122 -12.475 1.00 70.53 H new ATOM 0 HG3 GLN A 141 11.163 -0.648 -13.836 1.00 70.53 H new ATOM 0 HE21 GLN A 141 13.480 -0.852 -13.603 1.00 0.22 H new ATOM 0 HE22 GLN A 141 14.238 -0.889 -12.008 1.00 0.22 H new ATOM 2391 N CYS A 142 9.701 4.222 -13.805 1.00 23.50 N ATOM 2392 CA CYS A 142 9.675 5.680 -13.934 1.00 72.41 C ATOM 2393 C CYS A 142 11.104 6.242 -14.059 1.00 3.43 C ATOM 2394 O CYS A 142 11.471 6.788 -15.102 1.00 31.25 O ATOM 2395 CB CYS A 142 8.933 6.256 -12.711 1.00 0.12 C ATOM 2396 SG CYS A 142 9.255 5.326 -11.176 1.00 3.10 S ATOM 0 H CYS A 142 9.431 3.898 -12.876 1.00 23.50 H new ATOM 0 HA CYS A 142 9.148 5.972 -14.842 1.00 72.41 H new ATOM 0 HB2 CYS A 142 9.231 7.295 -12.569 1.00 0.12 H new ATOM 0 HB3 CYS A 142 7.861 6.256 -12.911 1.00 0.12 H new ATOM 0 HG CYS A 142 9.768 6.122 -10.286 1.00 3.10 H new ATOM 2401 N CYS A 143 11.893 6.111 -12.984 1.00 34.03 N ATOM 2402 CA CYS A 143 13.297 6.562 -12.946 1.00 33.13 C ATOM 2403 C CYS A 143 14.267 5.413 -13.258 1.00 21.24 C ATOM 2404 O CYS A 143 15.466 5.664 -13.420 1.00 4.40 O ATOM 2405 CB CYS A 143 13.596 7.142 -11.554 1.00 2.23 C ATOM 2406 SG CYS A 143 13.264 5.973 -10.207 1.00 14.23 S ATOM 0 H CYS A 143 11.577 5.688 -12.111 1.00 34.03 H new ATOM 0 HA CYS A 143 13.439 7.326 -13.710 1.00 33.13 H new ATOM 0 HB2 CYS A 143 14.641 7.448 -11.512 1.00 2.23 H new ATOM 0 HB3 CYS A 143 12.995 8.039 -11.404 1.00 2.23 H new ATOM 0 HG CYS A 143 12.690 4.910 -10.687 1.00 14.23 H new ATOM 2411 N ARG A 144 13.725 4.164 -13.320 1.00 54.34 N ATOM 2412 CA ARG A 144 14.498 2.907 -13.537 1.00 65.14 C ATOM 2413 C ARG A 144 15.382 2.567 -12.306 1.00 3.51 C ATOM 2414 O ARG A 144 16.218 1.652 -12.357 1.00 44.15 O ATOM 2415 CB ARG A 144 15.340 2.972 -14.856 1.00 33.25 C ATOM 2416 CG ARG A 144 14.507 3.045 -16.156 1.00 0.51 C ATOM 2417 CD ARG A 144 13.733 1.739 -16.429 1.00 4.24 C ATOM 2418 NE ARG A 144 14.646 0.591 -16.628 1.00 3.32 N ATOM 2419 CZ ARG A 144 14.822 -0.080 -17.777 1.00 32.13 C ATOM 2420 NH1 ARG A 144 14.146 0.254 -18.871 1.00 12.34 N ATOM 2421 NH2 ARG A 144 15.684 -1.077 -17.818 1.00 61.01 N ATOM 0 H ARG A 144 12.723 4.000 -13.219 1.00 54.34 H new ATOM 0 HA ARG A 144 13.780 2.095 -13.654 1.00 65.14 H new ATOM 0 HB2 ARG A 144 15.993 3.844 -14.811 1.00 33.25 H new ATOM 0 HB3 ARG A 144 15.984 2.094 -14.903 1.00 33.25 H new ATOM 0 HG2 ARG A 144 13.803 3.874 -16.088 1.00 0.51 H new ATOM 0 HG3 ARG A 144 15.168 3.256 -16.997 1.00 0.51 H new ATOM 0 HD2 ARG A 144 13.064 1.531 -15.594 1.00 4.24 H new ATOM 0 HD3 ARG A 144 13.109 1.865 -17.314 1.00 4.24 H new ATOM 0 HE ARG A 144 15.189 0.283 -15.821 1.00 3.32 H new ATOM 0 HH11 ARG A 144 13.483 1.029 -18.844 1.00 12.34 H new ATOM 0 HH12 ARG A 144 14.290 -0.265 -19.737 1.00 12.34 H new ATOM 0 HH21 ARG A 144 16.209 -1.332 -16.982 1.00 61.01 H new ATOM 0 HH22 ARG A 144 15.825 -1.594 -18.686 1.00 61.01 H new ATOM 2435 N GLN A 145 15.168 3.305 -11.204 1.00 53.20 N ATOM 2436 CA GLN A 145 15.894 3.118 -9.944 1.00 40.52 C ATOM 2437 C GLN A 145 15.089 2.181 -9.029 1.00 31.52 C ATOM 2438 O GLN A 145 13.954 2.491 -8.649 1.00 55.22 O ATOM 2439 CB GLN A 145 16.126 4.485 -9.258 1.00 54.43 C ATOM 2440 CG GLN A 145 16.972 5.489 -10.068 1.00 21.44 C ATOM 2441 CD GLN A 145 17.042 6.886 -9.437 1.00 63.04 C ATOM 2442 OE1 GLN A 145 15.939 7.351 -8.856 1.00 13.31 O flip ATOM 2443 NE2 GLN A 145 18.061 7.568 -9.528 1.00 51.25 N flip ATOM 0 H GLN A 145 14.478 4.055 -11.166 1.00 53.20 H new ATOM 0 HA GLN A 145 16.866 2.668 -10.145 1.00 40.52 H new ATOM 0 HB2 GLN A 145 15.157 4.937 -9.047 1.00 54.43 H new ATOM 0 HB3 GLN A 145 16.614 4.314 -8.298 1.00 54.43 H new ATOM 0 HG2 GLN A 145 17.983 5.096 -10.174 1.00 21.44 H new ATOM 0 HG3 GLN A 145 16.557 5.574 -11.072 1.00 21.44 H new ATOM 0 HE21 GLN A 145 18.892 7.185 -9.979 1.00 51.25 H new ATOM 0 HE22 GLN A 145 18.075 8.516 -9.153 1.00 51.25 H new ATOM 2452 N THR A 146 15.690 1.043 -8.691 1.00 11.41 N ATOM 2453 CA THR A 146 15.055 -0.009 -7.885 1.00 10.53 C ATOM 2454 C THR A 146 16.017 -0.507 -6.788 1.00 72.24 C ATOM 2455 O THR A 146 15.599 -1.262 -5.918 1.00 2.21 O ATOM 2456 CB THR A 146 14.605 -1.200 -8.815 1.00 20.21 C ATOM 2457 OG1 THR A 146 14.119 -2.323 -8.050 1.00 10.40 O ATOM 2458 CG2 THR A 146 15.741 -1.668 -9.757 1.00 50.41 C ATOM 0 H THR A 146 16.645 0.818 -8.971 1.00 11.41 H new ATOM 0 HA THR A 146 14.173 0.406 -7.397 1.00 10.53 H new ATOM 0 HB THR A 146 13.790 -0.812 -9.426 1.00 20.21 H new ATOM 0 HG1 THR A 146 14.451 -2.261 -7.130 1.00 10.40 H new ATOM 0 HG21 THR A 146 15.384 -2.490 -10.378 1.00 50.41 H new ATOM 0 HG22 THR A 146 16.050 -0.839 -10.394 1.00 50.41 H new ATOM 0 HG23 THR A 146 16.591 -2.005 -9.163 1.00 50.41 H new ATOM 2466 N GLU A 147 17.274 -0.001 -6.809 1.00 64.41 N ATOM 2467 CA GLU A 147 18.458 -0.563 -6.081 1.00 55.12 C ATOM 2468 C GLU A 147 18.148 -0.974 -4.619 1.00 51.12 C ATOM 2469 O GLU A 147 18.563 -2.056 -4.169 1.00 51.11 O ATOM 2470 CB GLU A 147 19.671 0.421 -6.103 1.00 61.20 C ATOM 2471 CG GLU A 147 20.240 0.757 -7.504 1.00 64.14 C ATOM 2472 CD GLU A 147 19.343 1.698 -8.331 1.00 61.14 C ATOM 2473 OE1 GLU A 147 19.283 2.906 -8.010 1.00 71.32 O ATOM 2474 OE2 GLU A 147 18.681 1.238 -9.285 1.00 71.10 O ATOM 0 H GLU A 147 17.508 0.834 -7.346 1.00 64.41 H new ATOM 0 HA GLU A 147 18.720 -1.470 -6.625 1.00 55.12 H new ATOM 0 HB2 GLU A 147 19.369 1.351 -5.621 1.00 61.20 H new ATOM 0 HB3 GLU A 147 20.472 -0.005 -5.499 1.00 61.20 H new ATOM 0 HG2 GLU A 147 21.221 1.216 -7.386 1.00 64.14 H new ATOM 0 HG3 GLU A 147 20.386 -0.170 -8.058 1.00 64.14 H new ATOM 2481 N LYS A 148 17.408 -0.112 -3.910 1.00 62.11 N ATOM 2482 CA LYS A 148 16.899 -0.398 -2.554 1.00 12.11 C ATOM 2483 C LYS A 148 15.685 0.507 -2.271 1.00 0.24 C ATOM 2484 O LYS A 148 14.538 0.046 -2.318 1.00 74.51 O ATOM 2485 CB LYS A 148 18.012 -0.211 -1.481 1.00 22.43 C ATOM 2486 CG LYS A 148 17.613 -0.631 -0.046 1.00 2.45 C ATOM 2487 CD LYS A 148 17.369 -2.153 0.096 1.00 64.34 C ATOM 2488 CE LYS A 148 18.629 -2.985 -0.199 1.00 52.21 C ATOM 2489 NZ LYS A 148 18.372 -4.446 -0.105 1.00 44.31 N ATOM 0 H LYS A 148 17.142 0.809 -4.259 1.00 62.11 H new ATOM 0 HA LYS A 148 16.585 -1.440 -2.501 1.00 12.11 H new ATOM 0 HB2 LYS A 148 18.887 -0.787 -1.782 1.00 22.43 H new ATOM 0 HB3 LYS A 148 18.310 0.837 -1.467 1.00 22.43 H new ATOM 0 HG2 LYS A 148 18.399 -0.329 0.646 1.00 2.45 H new ATOM 0 HG3 LYS A 148 16.709 -0.096 0.245 1.00 2.45 H new ATOM 0 HD2 LYS A 148 17.024 -2.369 1.107 1.00 64.34 H new ATOM 0 HD3 LYS A 148 16.572 -2.454 -0.584 1.00 64.34 H new ATOM 0 HE2 LYS A 148 18.995 -2.746 -1.198 1.00 52.21 H new ATOM 0 HE3 LYS A 148 19.416 -2.710 0.503 1.00 52.21 H new ATOM 0 HZ1 LYS A 148 19.248 -4.967 -0.311 1.00 44.31 H new ATOM 0 HZ2 LYS A 148 18.048 -4.680 0.855 1.00 44.31 H new ATOM 0 HZ3 LYS A 148 17.640 -4.715 -0.793 1.00 44.31 H new ATOM 2503 N LEU A 149 15.957 1.799 -1.996 1.00 64.32 N ATOM 2504 CA LEU A 149 14.934 2.831 -1.795 1.00 15.33 C ATOM 2505 C LEU A 149 15.344 4.052 -2.626 1.00 31.33 C ATOM 2506 O LEU A 149 16.213 4.841 -2.217 1.00 44.43 O ATOM 2507 CB LEU A 149 14.770 3.193 -0.288 1.00 2.42 C ATOM 2508 CG LEU A 149 14.213 2.063 0.650 1.00 25.31 C ATOM 2509 CD1 LEU A 149 14.203 2.524 2.127 1.00 43.44 C ATOM 2510 CD2 LEU A 149 12.802 1.591 0.210 1.00 3.44 C ATOM 0 H LEU A 149 16.909 2.154 -1.907 1.00 64.32 H new ATOM 0 HA LEU A 149 13.961 2.463 -2.121 1.00 15.33 H new ATOM 0 HB2 LEU A 149 15.741 3.506 0.095 1.00 2.42 H new ATOM 0 HB3 LEU A 149 14.106 4.055 -0.215 1.00 2.42 H new ATOM 0 HG LEU A 149 14.885 1.209 0.562 1.00 25.31 H new ATOM 0 HD11 LEU A 149 13.813 1.723 2.755 1.00 43.44 H new ATOM 0 HD12 LEU A 149 15.219 2.768 2.439 1.00 43.44 H new ATOM 0 HD13 LEU A 149 13.570 3.406 2.229 1.00 43.44 H new ATOM 0 HD21 LEU A 149 12.453 0.809 0.885 1.00 3.44 H new ATOM 0 HD22 LEU A 149 12.110 2.433 0.242 1.00 3.44 H new ATOM 0 HD23 LEU A 149 12.850 1.199 -0.806 1.00 3.44 H new ATOM 2522 N ALA A 150 14.773 4.138 -3.830 1.00 44.03 N ATOM 2523 CA ALA A 150 15.035 5.232 -4.770 1.00 14.21 C ATOM 2524 C ALA A 150 14.448 6.562 -4.240 1.00 44.30 C ATOM 2525 O ALA A 150 13.383 6.543 -3.608 1.00 2.25 O ATOM 2526 CB ALA A 150 14.466 4.866 -6.141 1.00 2.44 C ATOM 0 H ALA A 150 14.112 3.446 -4.183 1.00 44.03 H new ATOM 0 HA ALA A 150 16.111 5.378 -4.871 1.00 14.21 H new ATOM 0 HB1 ALA A 150 14.659 5.677 -6.843 1.00 2.44 H new ATOM 0 HB2 ALA A 150 14.942 3.954 -6.501 1.00 2.44 H new ATOM 0 HB3 ALA A 150 13.391 4.706 -6.058 1.00 2.44 H new ATOM 2532 N PRO A 151 15.125 7.738 -4.512 1.00 52.50 N ATOM 2533 CA PRO A 151 14.787 9.053 -3.890 1.00 31.44 C ATOM 2534 C PRO A 151 13.325 9.509 -4.085 1.00 53.00 C ATOM 2535 O PRO A 151 12.795 10.248 -3.250 1.00 43.54 O ATOM 2536 CB PRO A 151 15.768 10.047 -4.579 1.00 2.34 C ATOM 2537 CG PRO A 151 16.907 9.200 -5.046 1.00 34.44 C ATOM 2538 CD PRO A 151 16.290 7.875 -5.434 1.00 71.21 C ATOM 0 HA PRO A 151 14.887 8.995 -2.806 1.00 31.44 H new ATOM 0 HB2 PRO A 151 15.289 10.560 -5.413 1.00 2.34 H new ATOM 0 HB3 PRO A 151 16.106 10.815 -3.883 1.00 2.34 H new ATOM 0 HG2 PRO A 151 17.416 9.659 -5.893 1.00 34.44 H new ATOM 0 HG3 PRO A 151 17.650 9.072 -4.259 1.00 34.44 H new ATOM 0 HD2 PRO A 151 15.976 7.871 -6.478 1.00 71.21 H new ATOM 0 HD3 PRO A 151 16.996 7.054 -5.310 1.00 71.21 H new ATOM 2546 N GLY A 152 12.680 9.036 -5.162 1.00 55.13 N ATOM 2547 CA GLY A 152 11.361 9.517 -5.561 1.00 35.14 C ATOM 2548 C GLY A 152 11.485 10.535 -6.675 1.00 25.03 C ATOM 2549 O GLY A 152 11.982 11.642 -6.440 1.00 34.22 O ATOM 0 H GLY A 152 13.060 8.314 -5.774 1.00 55.13 H new ATOM 0 HA2 GLY A 152 10.746 8.680 -5.892 1.00 35.14 H new ATOM 0 HA3 GLY A 152 10.856 9.965 -4.705 1.00 35.14 H new ATOM 2553 N CYS A 153 11.068 10.163 -7.889 1.00 15.15 N ATOM 2554 CA CYS A 153 11.150 11.038 -9.071 1.00 30.51 C ATOM 2555 C CYS A 153 9.854 11.853 -9.247 1.00 52.22 C ATOM 2556 O CYS A 153 9.900 13.059 -9.498 1.00 70.34 O ATOM 2557 CB CYS A 153 11.407 10.175 -10.318 1.00 34.33 C ATOM 2558 SG CYS A 153 10.200 8.835 -10.536 1.00 52.42 S ATOM 0 H CYS A 153 10.663 9.247 -8.084 1.00 15.15 H new ATOM 0 HA CYS A 153 11.970 11.742 -8.933 1.00 30.51 H new ATOM 0 HB2 CYS A 153 11.392 10.814 -11.201 1.00 34.33 H new ATOM 0 HB3 CYS A 153 12.407 9.745 -10.253 1.00 34.33 H new ATOM 0 HG CYS A 153 10.419 7.906 -9.654 1.00 52.42 H new ATOM 2563 N GLU A 154 8.708 11.188 -9.064 1.00 44.31 N ATOM 2564 CA GLU A 154 7.373 11.730 -9.410 1.00 61.23 C ATOM 2565 C GLU A 154 6.757 12.361 -8.159 1.00 35.53 C ATOM 2566 O GLU A 154 6.780 11.734 -7.113 1.00 20.35 O ATOM 2567 CB GLU A 154 6.487 10.555 -9.959 1.00 63.41 C ATOM 2568 CG GLU A 154 5.772 10.825 -11.298 1.00 1.40 C ATOM 2569 CD GLU A 154 4.602 11.814 -11.183 1.00 32.53 C ATOM 2570 OE1 GLU A 154 3.461 11.366 -10.911 1.00 21.03 O ATOM 2571 OE2 GLU A 154 4.806 13.035 -11.381 1.00 4.30 O ATOM 0 H GLU A 154 8.672 10.249 -8.668 1.00 44.31 H new ATOM 0 HA GLU A 154 7.445 12.499 -10.179 1.00 61.23 H new ATOM 0 HB2 GLU A 154 7.117 9.674 -10.076 1.00 63.41 H new ATOM 0 HB3 GLU A 154 5.734 10.311 -9.209 1.00 63.41 H new ATOM 0 HG2 GLU A 154 6.496 11.213 -12.015 1.00 1.40 H new ATOM 0 HG3 GLU A 154 5.401 9.882 -11.699 1.00 1.40 H new ATOM 2578 N LYS A 155 6.205 13.588 -8.260 1.00 10.23 N ATOM 2579 CA LYS A 155 5.717 14.317 -7.058 1.00 11.12 C ATOM 2580 C LYS A 155 4.490 13.614 -6.437 1.00 20.43 C ATOM 2581 O LYS A 155 3.553 13.218 -7.130 1.00 54.24 O ATOM 2582 CB LYS A 155 5.442 15.835 -7.319 1.00 63.20 C ATOM 2583 CG LYS A 155 4.148 16.204 -8.080 1.00 75.41 C ATOM 2584 CD LYS A 155 4.133 15.676 -9.522 1.00 64.24 C ATOM 2585 CE LYS A 155 2.920 16.169 -10.332 1.00 52.44 C ATOM 2586 NZ LYS A 155 1.636 15.642 -9.806 1.00 34.24 N ATOM 0 H LYS A 155 6.085 14.091 -9.139 1.00 10.23 H new ATOM 0 HA LYS A 155 6.530 14.285 -6.333 1.00 11.12 H new ATOM 0 HB2 LYS A 155 5.423 16.344 -6.355 1.00 63.20 H new ATOM 0 HB3 LYS A 155 6.287 16.239 -7.876 1.00 63.20 H new ATOM 0 HG2 LYS A 155 3.289 15.803 -7.542 1.00 75.41 H new ATOM 0 HG3 LYS A 155 4.037 17.288 -8.094 1.00 75.41 H new ATOM 0 HD2 LYS A 155 5.049 15.985 -10.026 1.00 64.24 H new ATOM 0 HD3 LYS A 155 4.132 14.586 -9.504 1.00 64.24 H new ATOM 0 HE2 LYS A 155 2.896 17.259 -10.317 1.00 52.44 H new ATOM 0 HE3 LYS A 155 3.035 15.867 -11.373 1.00 52.44 H new ATOM 0 HZ1 LYS A 155 0.850 16.002 -10.384 1.00 34.24 H new ATOM 0 HZ2 LYS A 155 1.646 14.603 -9.844 1.00 34.24 H new ATOM 0 HZ3 LYS A 155 1.511 15.952 -8.821 1.00 34.24 H new ATOM 2600 N TYR A 156 4.557 13.434 -5.128 1.00 74.03 N ATOM 2601 CA TYR A 156 3.515 12.772 -4.324 1.00 30.54 C ATOM 2602 C TYR A 156 2.577 13.825 -3.720 1.00 53.11 C ATOM 2603 O TYR A 156 3.049 14.809 -3.140 1.00 71.04 O ATOM 2604 CB TYR A 156 4.180 11.920 -3.200 1.00 52.24 C ATOM 2605 CG TYR A 156 3.193 11.241 -2.223 1.00 51.20 C ATOM 2606 CD1 TYR A 156 2.292 10.263 -2.664 1.00 33.20 C ATOM 2607 CD2 TYR A 156 3.147 11.593 -0.866 1.00 3.24 C ATOM 2608 CE1 TYR A 156 1.396 9.670 -1.797 1.00 4.12 C ATOM 2609 CE2 TYR A 156 2.243 11.004 -0.002 1.00 51.52 C ATOM 2610 CZ TYR A 156 1.372 10.043 -0.470 1.00 15.21 C ATOM 2611 OH TYR A 156 0.453 9.478 0.392 1.00 54.25 O ATOM 0 H TYR A 156 5.352 13.748 -4.572 1.00 74.03 H new ATOM 0 HA TYR A 156 2.929 12.111 -4.962 1.00 30.54 H new ATOM 0 HB2 TYR A 156 4.795 11.150 -3.665 1.00 52.24 H new ATOM 0 HB3 TYR A 156 4.851 12.561 -2.628 1.00 52.24 H new ATOM 0 HD1 TYR A 156 2.298 9.967 -3.703 1.00 33.20 H new ATOM 0 HD2 TYR A 156 3.831 12.339 -0.489 1.00 3.24 H new ATOM 0 HE1 TYR A 156 0.714 8.914 -2.158 1.00 4.12 H new ATOM 0 HE2 TYR A 156 2.219 11.296 1.038 1.00 51.52 H new ATOM 0 HH TYR A 156 0.161 8.613 0.037 1.00 54.25 H new ATOM 2621 N ASN A 157 1.262 13.626 -3.881 1.00 74.02 N ATOM 2622 CA ASN A 157 0.249 14.434 -3.187 1.00 53.14 C ATOM 2623 C ASN A 157 -0.073 13.743 -1.861 1.00 11.02 C ATOM 2624 O ASN A 157 -0.147 12.520 -1.810 1.00 70.44 O ATOM 2625 CB ASN A 157 -1.038 14.617 -4.046 1.00 12.12 C ATOM 2626 CG ASN A 157 -1.893 13.347 -4.180 1.00 21.55 C ATOM 2627 OD1 ASN A 157 -2.788 13.095 -3.362 1.00 22.11 O ATOM 2628 ND2 ASN A 157 -1.640 12.559 -5.210 1.00 50.43 N ATOM 0 H ASN A 157 0.872 12.907 -4.490 1.00 74.02 H new ATOM 0 HA ASN A 157 0.642 15.435 -3.010 1.00 53.14 H new ATOM 0 HB2 ASN A 157 -1.647 15.406 -3.604 1.00 12.12 H new ATOM 0 HB3 ASN A 157 -0.751 14.955 -5.042 1.00 12.12 H new ATOM 0 HD21 ASN A 157 -2.190 11.712 -5.351 1.00 50.43 H new ATOM 0 HD22 ASN A 157 -0.895 12.798 -5.864 1.00 50.43 H new ATOM 2635 N LEU A 158 -0.218 14.506 -0.788 1.00 13.24 N ATOM 2636 CA LEU A 158 -0.612 13.964 0.528 1.00 4.15 C ATOM 2637 C LEU A 158 -1.978 14.540 0.900 1.00 21.20 C ATOM 2638 O LEU A 158 -2.925 13.801 1.173 1.00 63.21 O ATOM 2639 CB LEU A 158 0.472 14.293 1.593 1.00 50.45 C ATOM 2640 CG LEU A 158 0.261 13.684 3.016 1.00 63.12 C ATOM 2641 CD1 LEU A 158 0.083 12.141 2.965 1.00 20.41 C ATOM 2642 CD2 LEU A 158 1.436 14.086 3.947 1.00 4.03 C ATOM 0 H LEU A 158 -0.069 15.515 -0.792 1.00 13.24 H new ATOM 0 HA LEU A 158 -0.692 12.878 0.486 1.00 4.15 H new ATOM 0 HB2 LEU A 158 1.436 13.951 1.215 1.00 50.45 H new ATOM 0 HB3 LEU A 158 0.535 15.377 1.692 1.00 50.45 H new ATOM 0 HG LEU A 158 -0.663 14.093 3.425 1.00 63.12 H new ATOM 0 HD11 LEU A 158 -0.061 11.758 3.975 1.00 20.41 H new ATOM 0 HD12 LEU A 158 -0.787 11.895 2.356 1.00 20.41 H new ATOM 0 HD13 LEU A 158 0.972 11.686 2.528 1.00 20.41 H new ATOM 0 HD21 LEU A 158 1.279 13.657 4.937 1.00 4.03 H new ATOM 0 HD22 LEU A 158 2.372 13.712 3.533 1.00 4.03 H new ATOM 0 HD23 LEU A 158 1.482 15.172 4.026 1.00 4.03 H new ATOM 2654 N PHE A 159 -2.055 15.876 0.899 1.00 32.41 N ATOM 2655 CA PHE A 159 -3.314 16.625 1.038 1.00 25.33 C ATOM 2656 C PHE A 159 -3.852 16.965 -0.353 1.00 2.41 C ATOM 2657 O PHE A 159 -5.065 17.020 -0.545 1.00 60.30 O ATOM 2658 CB PHE A 159 -3.089 17.925 1.843 1.00 75.41 C ATOM 2659 CG PHE A 159 -2.491 17.685 3.229 1.00 54.22 C ATOM 2660 CD1 PHE A 159 -3.306 17.366 4.310 1.00 22.44 C ATOM 2661 CD2 PHE A 159 -1.114 17.759 3.441 1.00 74.22 C ATOM 2662 CE1 PHE A 159 -2.768 17.136 5.559 1.00 12.20 C ATOM 2663 CE2 PHE A 159 -0.580 17.525 4.692 1.00 61.53 C ATOM 2664 CZ PHE A 159 -1.408 17.216 5.753 1.00 13.32 C ATOM 0 H PHE A 159 -1.236 16.476 0.801 1.00 32.41 H new ATOM 0 HA PHE A 159 -4.036 16.009 1.575 1.00 25.33 H new ATOM 0 HB2 PHE A 159 -2.428 18.583 1.279 1.00 75.41 H new ATOM 0 HB3 PHE A 159 -4.040 18.446 1.951 1.00 75.41 H new ATOM 0 HD1 PHE A 159 -4.375 17.297 4.169 1.00 22.44 H new ATOM 0 HD2 PHE A 159 -0.459 18.002 2.617 1.00 74.22 H new ATOM 0 HE1 PHE A 159 -3.416 16.892 6.388 1.00 12.20 H new ATOM 0 HE2 PHE A 159 0.488 17.584 4.841 1.00 61.53 H new ATOM 0 HZ PHE A 159 -0.989 17.038 6.732 1.00 13.32 H new