USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 131 HIS : no HE2:sc= -2.58 K(o=-3.6,f=-6.7) USER MOD Set 1.2: A 141 GLN : amide:sc= 0.301 K(o=-3.6,f=-7.7!) USER MOD Set 1.3: A 142 CYS SG : rot -120:sc= -1.03 USER MOD Set 1.4: A 143 CYS SG : rot 159:sc= -0.955! USER MOD Set 1.5: A 145 GLN :FLIP amide:sc= 0.738 F(o=-6,f=-3.6) USER MOD Set 1.6: A 153 CYS SG : rot -154:sc= -0.112 USER MOD Set 2.1: A 91 GLN : amide:sc= 0.288 X(o=0.93,f=0.88) USER MOD Set 2.2: A 100 TYR OH : rot -132:sc= 0.644 USER MOD Set 3.1: A 76 LYS NZ :NH3+ -149:sc= 0.103 (180deg=-1.34) USER MOD Set 3.2: A 130 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 THR OG1 : rot 31:sc= 0.496 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0.253 (180deg=-0.215) USER MOD Single : A 25 SER OG : rot 69:sc= 0.251 USER MOD Single : A 35 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.28) USER MOD Single : A 36 TYR OH : rot 165:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0183) USER MOD Single : A 44 THR OG1 : rot -55:sc= 1.56 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 163:sc= -0.0661 (180deg=-0.307) 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= 0.00381 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.414 (180deg=0.407) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 79:sc= 1.57 USER MOD Single : A 84 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 85 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.39) USER MOD Single : A 86 ASN : amide:sc= 0.387 K(o=0.39,f=-2.3) 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= -0.28 X(o=-0.28,f=-0.083) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 98 THR OG1 : rot 101:sc= 0.705 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -120:sc= -0.26 USER MOD Single : A 114 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.055) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -154:sc= 0.898 (180deg=0.475) USER MOD Single : A 121 LYS NZ :NH3+ -136:sc= 0.443 (180deg=-0.458) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0.071) USER MOD Single : A 123 ASN : amide:sc= 0.81 K(o=0.81,f=-0.55) USER MOD Single : A 124 ASN : amide:sc= -0.0881 X(o=-0.088,f=-0.088) USER MOD Single : A 125 ASN :FLIP amide:sc= -1.05! C(o=-3.3!,f=-1.1!) USER MOD Single : A 127 MET CE :methyl 170:sc= -0.232 (180deg=-0.477) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0444) USER MOD Single : A 133 LYS NZ :NH3+ 169:sc= -0.0154 (180deg=-0.141) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -45:sc= 0.377 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 Single : A 156 TYR OH : rot 36:sc= 0.442 USER MOD Single : A 157 ASN : amide:sc= -0.0996 X(o=-0.1,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -8.805 -1.179 14.969 1.00 12.01 N ATOM 230 CA THR A 15 -8.738 -1.450 13.531 1.00 42.13 C ATOM 231 C THR A 15 -9.498 -0.359 12.755 1.00 23.11 C ATOM 232 O THR A 15 -10.658 -0.036 13.051 1.00 30.02 O ATOM 233 CB THR A 15 -9.244 -2.892 13.153 1.00 53.42 C ATOM 234 OG1 THR A 15 -9.074 -3.134 11.742 1.00 21.23 O ATOM 235 CG2 THR A 15 -10.713 -3.139 13.533 1.00 33.31 C ATOM 0 HA THR A 15 -7.688 -1.423 13.241 1.00 42.13 H new ATOM 0 HB THR A 15 -8.635 -3.585 13.733 1.00 53.42 H new ATOM 0 HG1 THR A 15 -8.291 -2.642 11.418 1.00 21.23 H new ATOM 0 HG21 THR A 15 -10.998 -4.151 13.245 1.00 33.31 H new ATOM 0 HG22 THR A 15 -10.835 -3.020 14.610 1.00 33.31 H new ATOM 0 HG23 THR A 15 -11.349 -2.422 13.014 1.00 33.31 H new ATOM 243 N ILE A 16 -8.773 0.253 11.819 1.00 24.13 N ATOM 244 CA ILE A 16 -9.288 1.262 10.898 1.00 43.14 C ATOM 245 C ILE A 16 -10.154 0.589 9.815 1.00 32.30 C ATOM 246 O ILE A 16 -11.260 1.055 9.495 1.00 1.25 O ATOM 247 CB ILE A 16 -8.091 2.027 10.221 1.00 64.23 C ATOM 248 CG1 ILE A 16 -7.099 2.564 11.302 1.00 3.12 C ATOM 249 CG2 ILE A 16 -8.589 3.167 9.305 1.00 63.11 C ATOM 250 CD1 ILE A 16 -5.865 3.241 10.742 1.00 74.13 C ATOM 0 H ILE A 16 -7.783 0.054 11.678 1.00 24.13 H new ATOM 0 HA ILE A 16 -9.899 1.973 11.454 1.00 43.14 H new ATOM 0 HB ILE A 16 -7.557 1.317 9.590 1.00 64.23 H new ATOM 0 HG12 ILE A 16 -7.627 3.271 11.942 1.00 3.12 H new ATOM 0 HG13 ILE A 16 -6.787 1.733 11.935 1.00 3.12 H new ATOM 0 HG21 ILE A 16 -7.734 3.672 8.855 1.00 63.11 H new ATOM 0 HG22 ILE A 16 -9.220 2.753 8.519 1.00 63.11 H new ATOM 0 HG23 ILE A 16 -9.164 3.882 9.894 1.00 63.11 H new ATOM 0 HD11 ILE A 16 -5.233 3.582 11.562 1.00 74.13 H new ATOM 0 HD12 ILE A 16 -5.310 2.533 10.126 1.00 74.13 H new ATOM 0 HD13 ILE A 16 -6.163 4.095 10.134 1.00 74.13 H new ATOM 262 N LEU A 17 -9.628 -0.529 9.284 1.00 12.34 N ATOM 263 CA LEU A 17 -10.225 -1.256 8.157 1.00 63.50 C ATOM 264 C LEU A 17 -9.549 -2.630 8.003 1.00 5.20 C ATOM 265 O LEU A 17 -8.324 -2.731 8.079 1.00 73.23 O ATOM 266 CB LEU A 17 -10.074 -0.429 6.844 1.00 73.21 C ATOM 267 CG LEU A 17 -10.597 -1.085 5.519 1.00 14.32 C ATOM 268 CD1 LEU A 17 -12.091 -1.467 5.602 1.00 14.13 C ATOM 269 CD2 LEU A 17 -10.318 -0.159 4.318 1.00 15.21 C ATOM 0 H LEU A 17 -8.768 -0.955 9.631 1.00 12.34 H new ATOM 0 HA LEU A 17 -11.287 -1.406 8.354 1.00 63.50 H new ATOM 0 HB2 LEU A 17 -10.595 0.519 6.980 1.00 73.21 H new ATOM 0 HB3 LEU A 17 -9.018 -0.196 6.711 1.00 73.21 H new ATOM 0 HG LEU A 17 -10.050 -2.017 5.374 1.00 14.32 H new ATOM 0 HD11 LEU A 17 -12.404 -1.917 4.660 1.00 14.13 H new ATOM 0 HD12 LEU A 17 -12.240 -2.181 6.412 1.00 14.13 H new ATOM 0 HD13 LEU A 17 -12.685 -0.573 5.792 1.00 14.13 H new ATOM 0 HD21 LEU A 17 -10.686 -0.627 3.405 1.00 15.21 H new ATOM 0 HD22 LEU A 17 -10.825 0.794 4.468 1.00 15.21 H new ATOM 0 HD23 LEU A 17 -9.245 0.011 4.231 1.00 15.21 H new ATOM 281 N GLU A 18 -10.366 -3.668 7.790 1.00 51.23 N ATOM 282 CA GLU A 18 -9.907 -5.036 7.484 1.00 51.21 C ATOM 283 C GLU A 18 -10.576 -5.501 6.173 1.00 33.32 C ATOM 284 O GLU A 18 -11.773 -5.253 5.963 1.00 31.04 O ATOM 285 CB GLU A 18 -10.193 -6.019 8.667 1.00 74.24 C ATOM 286 CG GLU A 18 -11.678 -6.242 9.066 1.00 52.13 C ATOM 287 CD GLU A 18 -12.364 -4.998 9.668 1.00 32.13 C ATOM 288 OE1 GLU A 18 -12.154 -4.711 10.867 1.00 54.25 O ATOM 289 OE2 GLU A 18 -13.097 -4.288 8.939 1.00 13.33 O ATOM 0 H GLU A 18 -11.382 -3.584 7.825 1.00 51.23 H new ATOM 0 HA GLU A 18 -8.825 -5.033 7.351 1.00 51.21 H new ATOM 0 HB2 GLU A 18 -9.763 -6.988 8.412 1.00 74.24 H new ATOM 0 HB3 GLU A 18 -9.659 -5.655 9.545 1.00 74.24 H new ATOM 0 HG2 GLU A 18 -12.236 -6.560 8.185 1.00 52.13 H new ATOM 0 HG3 GLU A 18 -11.730 -7.057 9.788 1.00 52.13 H new ATOM 296 N GLU A 19 -9.795 -6.141 5.283 1.00 32.15 N ATOM 297 CA GLU A 19 -10.271 -6.540 3.939 1.00 31.43 C ATOM 298 C GLU A 19 -9.408 -7.686 3.378 1.00 53.44 C ATOM 299 O GLU A 19 -8.229 -7.824 3.738 1.00 25.21 O ATOM 300 CB GLU A 19 -10.243 -5.302 2.992 1.00 5.35 C ATOM 301 CG GLU A 19 -10.706 -5.531 1.531 1.00 43.22 C ATOM 302 CD GLU A 19 -12.180 -5.940 1.398 1.00 40.45 C ATOM 303 OE1 GLU A 19 -13.062 -5.049 1.455 1.00 2.34 O ATOM 304 OE2 GLU A 19 -12.473 -7.148 1.244 1.00 23.51 O ATOM 0 H GLU A 19 -8.825 -6.396 5.469 1.00 32.15 H new ATOM 0 HA GLU A 19 -11.296 -6.904 4.012 1.00 31.43 H new ATOM 0 HB2 GLU A 19 -10.870 -4.525 3.429 1.00 5.35 H new ATOM 0 HB3 GLU A 19 -9.224 -4.914 2.969 1.00 5.35 H new ATOM 0 HG2 GLU A 19 -10.541 -4.617 0.961 1.00 43.22 H new ATOM 0 HG3 GLU A 19 -10.083 -6.304 1.081 1.00 43.22 H new ATOM 311 N ILE A 20 -10.021 -8.511 2.508 1.00 42.24 N ATOM 312 CA ILE A 20 -9.354 -9.613 1.806 1.00 62.25 C ATOM 313 C ILE A 20 -8.601 -9.064 0.569 1.00 44.42 C ATOM 314 O ILE A 20 -9.195 -8.831 -0.488 1.00 51.10 O ATOM 315 CB ILE A 20 -10.404 -10.721 1.395 1.00 31.35 C ATOM 316 CG1 ILE A 20 -11.115 -11.310 2.655 1.00 71.14 C ATOM 317 CG2 ILE A 20 -9.760 -11.855 0.560 1.00 12.24 C ATOM 318 CD1 ILE A 20 -10.196 -12.023 3.635 1.00 45.51 C ATOM 0 H ILE A 20 -11.010 -8.425 2.273 1.00 42.24 H new ATOM 0 HA ILE A 20 -8.627 -10.078 2.472 1.00 62.25 H new ATOM 0 HB ILE A 20 -11.149 -10.234 0.766 1.00 31.35 H new ATOM 0 HG12 ILE A 20 -11.623 -10.500 3.179 1.00 71.14 H new ATOM 0 HG13 ILE A 20 -11.884 -12.009 2.327 1.00 71.14 H new ATOM 0 HG21 ILE A 20 -10.520 -12.593 0.301 1.00 12.24 H new ATOM 0 HG22 ILE A 20 -9.333 -11.438 -0.352 1.00 12.24 H new ATOM 0 HG23 ILE A 20 -8.973 -12.334 1.143 1.00 12.24 H new ATOM 0 HD11 ILE A 20 -10.780 -12.397 4.476 1.00 45.51 H new ATOM 0 HD12 ILE A 20 -9.707 -12.858 3.133 1.00 45.51 H new ATOM 0 HD13 ILE A 20 -9.441 -11.326 3.999 1.00 45.51 H new ATOM 330 N LEU A 21 -7.296 -8.824 0.739 1.00 13.43 N ATOM 331 CA LEU A 21 -6.414 -8.275 -0.308 1.00 13.35 C ATOM 332 C LEU A 21 -5.324 -9.308 -0.655 1.00 10.54 C ATOM 333 O LEU A 21 -4.902 -10.074 0.216 1.00 50.35 O ATOM 334 CB LEU A 21 -5.737 -6.978 0.200 1.00 1.25 C ATOM 335 CG LEU A 21 -6.659 -5.873 0.801 1.00 54.22 C ATOM 336 CD1 LEU A 21 -5.826 -4.794 1.506 1.00 34.15 C ATOM 337 CD2 LEU A 21 -7.558 -5.242 -0.268 1.00 14.44 C ATOM 0 H LEU A 21 -6.812 -9.007 1.618 1.00 13.43 H new ATOM 0 HA LEU A 21 -7.009 -8.052 -1.193 1.00 13.35 H new ATOM 0 HB2 LEU A 21 -5.006 -7.255 0.959 1.00 1.25 H new ATOM 0 HB3 LEU A 21 -5.184 -6.540 -0.631 1.00 1.25 H new ATOM 0 HG LEU A 21 -7.305 -6.352 1.537 1.00 54.22 H new ATOM 0 HD11 LEU A 21 -6.489 -4.033 1.918 1.00 34.15 H new ATOM 0 HD12 LEU A 21 -5.250 -5.248 2.312 1.00 34.15 H new ATOM 0 HD13 LEU A 21 -5.146 -4.333 0.789 1.00 34.15 H new ATOM 0 HD21 LEU A 21 -8.185 -4.477 0.189 1.00 14.44 H new ATOM 0 HD22 LEU A 21 -6.939 -4.789 -1.042 1.00 14.44 H new ATOM 0 HD23 LEU A 21 -8.190 -6.011 -0.712 1.00 14.44 H new ATOM 349 N ILE A 22 -4.843 -9.297 -1.908 1.00 12.02 N ATOM 350 CA ILE A 22 -3.753 -10.188 -2.358 1.00 10.01 C ATOM 351 C ILE A 22 -2.402 -9.438 -2.314 1.00 2.34 C ATOM 352 O ILE A 22 -2.296 -8.309 -2.775 1.00 3.53 O ATOM 353 CB ILE A 22 -4.039 -10.757 -3.798 1.00 25.30 C ATOM 354 CG1 ILE A 22 -5.327 -11.643 -3.778 1.00 23.34 C ATOM 355 CG2 ILE A 22 -2.828 -11.547 -4.347 1.00 42.32 C ATOM 356 CD1 ILE A 22 -5.684 -12.319 -5.093 1.00 30.00 C ATOM 0 H ILE A 22 -5.194 -8.675 -2.637 1.00 12.02 H new ATOM 0 HA ILE A 22 -3.700 -11.038 -1.678 1.00 10.01 H new ATOM 0 HB ILE A 22 -4.204 -9.915 -4.471 1.00 25.30 H new ATOM 0 HG12 ILE A 22 -5.204 -12.413 -3.017 1.00 23.34 H new ATOM 0 HG13 ILE A 22 -6.168 -11.022 -3.470 1.00 23.34 H new ATOM 0 HG21 ILE A 22 -3.061 -11.925 -5.342 1.00 42.32 H new ATOM 0 HG22 ILE A 22 -1.960 -10.890 -4.402 1.00 42.32 H new ATOM 0 HG23 ILE A 22 -2.608 -12.383 -3.684 1.00 42.32 H new ATOM 0 HD11 ILE A 22 -6.593 -12.907 -4.965 1.00 30.00 H new ATOM 0 HD12 ILE A 22 -5.847 -11.561 -5.859 1.00 30.00 H new ATOM 0 HD13 ILE A 22 -4.868 -12.974 -5.399 1.00 30.00 H new ATOM 368 N LYS A 23 -1.385 -10.099 -1.764 1.00 45.22 N ATOM 369 CA LYS A 23 -0.059 -9.522 -1.495 1.00 41.04 C ATOM 370 C LYS A 23 0.991 -10.077 -2.482 1.00 34.11 C ATOM 371 O LYS A 23 0.974 -11.272 -2.786 1.00 25.34 O ATOM 372 CB LYS A 23 0.330 -9.897 -0.039 1.00 3.44 C ATOM 373 CG LYS A 23 1.727 -9.430 0.413 1.00 51.21 C ATOM 374 CD LYS A 23 2.138 -10.008 1.789 1.00 64.53 C ATOM 375 CE LYS A 23 3.620 -9.750 2.096 1.00 70.23 C ATOM 376 NZ LYS A 23 4.502 -10.312 1.034 1.00 12.11 N ATOM 0 H LYS A 23 -1.457 -11.077 -1.484 1.00 45.22 H new ATOM 0 HA LYS A 23 -0.091 -8.440 -1.621 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -0.412 -9.474 0.638 1.00 3.44 H new ATOM 0 HB3 LYS A 23 0.276 -10.981 0.066 1.00 3.44 H new ATOM 0 HG2 LYS A 23 2.463 -9.726 -0.334 1.00 51.21 H new ATOM 0 HG3 LYS A 23 1.743 -8.341 0.462 1.00 51.21 H new ATOM 0 HD2 LYS A 23 1.522 -9.561 2.570 1.00 64.53 H new ATOM 0 HD3 LYS A 23 1.945 -11.081 1.805 1.00 64.53 H new ATOM 0 HE2 LYS A 23 3.793 -8.678 2.185 1.00 70.23 H new ATOM 0 HE3 LYS A 23 3.877 -10.195 3.057 1.00 70.23 H new ATOM 0 HZ1 LYS A 23 5.475 -10.383 1.393 1.00 12.11 H new ATOM 0 HZ2 LYS A 23 4.162 -11.257 0.765 1.00 12.11 H new ATOM 0 HZ3 LYS A 23 4.485 -9.688 0.202 1.00 12.11 H new ATOM 390 N ARG A 24 1.903 -9.206 -2.978 1.00 2.10 N ATOM 391 CA ARG A 24 3.087 -9.645 -3.753 1.00 44.42 C ATOM 392 C ARG A 24 4.237 -9.983 -2.771 1.00 53.53 C ATOM 393 O ARG A 24 4.476 -9.230 -1.811 1.00 75.45 O ATOM 394 CB ARG A 24 3.544 -8.549 -4.763 1.00 32.32 C ATOM 395 CG ARG A 24 4.601 -9.034 -5.789 1.00 62.32 C ATOM 396 CD ARG A 24 5.131 -7.920 -6.720 1.00 4.33 C ATOM 397 NE ARG A 24 6.042 -6.977 -6.031 1.00 4.41 N ATOM 398 CZ ARG A 24 7.030 -6.268 -6.626 1.00 40.33 C ATOM 399 NH1 ARG A 24 7.268 -6.364 -7.942 1.00 74.05 N ATOM 400 NH2 ARG A 24 7.782 -5.459 -5.892 1.00 10.24 N ATOM 0 H ARG A 24 1.840 -8.195 -2.855 1.00 2.10 H new ATOM 0 HA ARG A 24 2.819 -10.530 -4.330 1.00 44.42 H new ATOM 0 HB2 ARG A 24 2.671 -8.181 -5.303 1.00 32.32 H new ATOM 0 HB3 ARG A 24 3.953 -7.706 -4.207 1.00 32.32 H new ATOM 0 HG2 ARG A 24 5.441 -9.473 -5.250 1.00 62.32 H new ATOM 0 HG3 ARG A 24 4.164 -9.825 -6.398 1.00 62.32 H new ATOM 0 HD2 ARG A 24 5.655 -8.375 -7.560 1.00 4.33 H new ATOM 0 HD3 ARG A 24 4.287 -7.366 -7.132 1.00 4.33 H new ATOM 0 HE ARG A 24 5.915 -6.852 -5.027 1.00 4.41 H new ATOM 0 HH11 ARG A 24 6.698 -6.982 -8.520 1.00 74.05 H new ATOM 0 HH12 ARG A 24 8.019 -5.819 -8.366 1.00 74.05 H new ATOM 0 HH21 ARG A 24 7.613 -5.376 -4.890 1.00 10.24 H new ATOM 0 HH22 ARG A 24 8.529 -4.920 -6.330 1.00 10.24 H new ATOM 414 N SER A 25 4.922 -11.117 -3.000 1.00 74.14 N ATOM 415 CA SER A 25 6.083 -11.540 -2.195 1.00 73.20 C ATOM 416 C SER A 25 7.364 -10.881 -2.746 1.00 45.23 C ATOM 417 O SER A 25 7.795 -11.193 -3.857 1.00 33.40 O ATOM 418 CB SER A 25 6.208 -13.077 -2.232 1.00 64.11 C ATOM 419 OG SER A 25 4.997 -13.704 -1.844 1.00 31.20 O ATOM 0 H SER A 25 4.686 -11.768 -3.749 1.00 74.14 H new ATOM 0 HA SER A 25 5.944 -11.225 -1.161 1.00 73.20 H new ATOM 0 HB2 SER A 25 6.479 -13.397 -3.238 1.00 64.11 H new ATOM 0 HB3 SER A 25 7.013 -13.394 -1.569 1.00 64.11 H new ATOM 0 HG SER A 25 4.313 -13.546 -2.528 1.00 31.20 H new ATOM 583 N ASN A 35 5.208 -13.735 -5.798 1.00 73.42 N ATOM 584 CA ASN A 35 4.041 -14.621 -5.681 1.00 63.04 C ATOM 585 C ASN A 35 2.865 -13.853 -5.087 1.00 13.22 C ATOM 586 O ASN A 35 3.031 -13.064 -4.154 1.00 72.14 O ATOM 587 CB ASN A 35 4.391 -15.851 -4.793 1.00 13.35 C ATOM 588 CG ASN A 35 3.216 -16.817 -4.549 1.00 31.12 C ATOM 589 OD1 ASN A 35 2.339 -17.000 -5.399 1.00 53.14 O ATOM 590 ND2 ASN A 35 3.192 -17.448 -3.384 1.00 35.52 N ATOM 0 HA ASN A 35 3.762 -14.977 -6.673 1.00 63.04 H new ATOM 0 HB2 ASN A 35 5.206 -16.402 -5.262 1.00 13.35 H new ATOM 0 HB3 ASN A 35 4.759 -15.496 -3.830 1.00 13.35 H new ATOM 0 HD21 ASN A 35 2.438 -18.102 -3.173 1.00 35.52 H new ATOM 0 HD22 ASN A 35 3.928 -17.280 -2.698 1.00 35.52 H new ATOM 597 N TYR A 36 1.683 -14.103 -5.640 1.00 2.04 N ATOM 598 CA TYR A 36 0.442 -13.472 -5.213 1.00 22.01 C ATOM 599 C TYR A 36 -0.290 -14.414 -4.258 1.00 10.23 C ATOM 600 O TYR A 36 -0.800 -15.462 -4.670 1.00 61.30 O ATOM 601 CB TYR A 36 -0.394 -13.115 -6.462 1.00 24.44 C ATOM 602 CG TYR A 36 0.365 -12.165 -7.399 1.00 75.41 C ATOM 603 CD1 TYR A 36 0.719 -10.886 -6.970 1.00 54.42 C ATOM 604 CD2 TYR A 36 0.763 -12.557 -8.676 1.00 11.13 C ATOM 605 CE1 TYR A 36 1.428 -10.035 -7.787 1.00 72.33 C ATOM 606 CE2 TYR A 36 1.476 -11.704 -9.494 1.00 12.10 C ATOM 607 CZ TYR A 36 1.805 -10.445 -9.047 1.00 74.42 C ATOM 608 OH TYR A 36 2.512 -9.586 -9.862 1.00 64.02 O ATOM 0 H TYR A 36 1.560 -14.761 -6.410 1.00 2.04 H new ATOM 0 HA TYR A 36 0.632 -12.545 -4.673 1.00 22.01 H new ATOM 0 HB2 TYR A 36 -0.653 -14.027 -7.000 1.00 24.44 H new ATOM 0 HB3 TYR A 36 -1.330 -12.651 -6.153 1.00 24.44 H new ATOM 0 HD1 TYR A 36 0.432 -10.558 -5.982 1.00 54.42 H new ATOM 0 HD2 TYR A 36 0.509 -13.545 -9.031 1.00 11.13 H new ATOM 0 HE1 TYR A 36 1.689 -9.046 -7.440 1.00 72.33 H new ATOM 0 HE2 TYR A 36 1.775 -12.024 -10.481 1.00 12.10 H new ATOM 0 HH TYR A 36 2.904 -10.089 -10.606 1.00 64.02 H new ATOM 618 N LYS A 37 -0.287 -14.048 -2.971 1.00 2.11 N ATOM 619 CA LYS A 37 -0.848 -14.867 -1.888 1.00 52.22 C ATOM 620 C LYS A 37 -1.909 -14.023 -1.155 1.00 62.30 C ATOM 621 O LYS A 37 -1.624 -12.893 -0.739 1.00 43.42 O ATOM 622 CB LYS A 37 0.308 -15.339 -0.935 1.00 2.32 C ATOM 623 CG LYS A 37 0.114 -16.705 -0.207 1.00 1.15 C ATOM 624 CD LYS A 37 0.247 -17.961 -1.130 1.00 31.11 C ATOM 625 CE LYS A 37 -1.033 -18.344 -1.897 1.00 61.41 C ATOM 626 NZ LYS A 37 -2.115 -18.843 -0.998 1.00 14.22 N ATOM 0 H LYS A 37 0.109 -13.165 -2.648 1.00 2.11 H new ATOM 0 HA LYS A 37 -1.328 -15.766 -2.274 1.00 52.22 H new ATOM 0 HB2 LYS A 37 1.227 -15.394 -1.519 1.00 2.32 H new ATOM 0 HB3 LYS A 37 0.457 -14.570 -0.177 1.00 2.32 H new ATOM 0 HG2 LYS A 37 0.848 -16.781 0.596 1.00 1.15 H new ATOM 0 HG3 LYS A 37 -0.871 -16.716 0.260 1.00 1.15 H new ATOM 0 HD2 LYS A 37 1.044 -17.781 -1.851 1.00 31.11 H new ATOM 0 HD3 LYS A 37 0.555 -18.810 -0.520 1.00 31.11 H new ATOM 0 HE2 LYS A 37 -1.395 -17.476 -2.448 1.00 61.41 H new ATOM 0 HE3 LYS A 37 -0.795 -19.112 -2.633 1.00 61.41 H new ATOM 0 HZ1 LYS A 37 -2.907 -19.197 -1.571 1.00 14.22 H new ATOM 0 HZ2 LYS A 37 -1.746 -19.613 -0.405 1.00 14.22 H new ATOM 0 HZ3 LYS A 37 -2.447 -18.067 -0.391 1.00 14.22 H new ATOM 640 N GLU A 38 -3.109 -14.590 -0.973 1.00 40.41 N ATOM 641 CA GLU A 38 -4.299 -13.837 -0.533 1.00 41.04 C ATOM 642 C GLU A 38 -4.313 -13.754 1.001 1.00 23.30 C ATOM 643 O GLU A 38 -3.954 -14.722 1.674 1.00 40.20 O ATOM 644 CB GLU A 38 -5.577 -14.519 -1.076 1.00 11.41 C ATOM 645 CG GLU A 38 -6.877 -13.729 -0.855 1.00 21.34 C ATOM 646 CD GLU A 38 -8.113 -14.466 -1.390 1.00 73.22 C ATOM 647 OE1 GLU A 38 -8.405 -14.357 -2.603 1.00 40.14 O ATOM 648 OE2 GLU A 38 -8.789 -15.164 -0.602 1.00 23.40 O ATOM 0 H GLU A 38 -3.286 -15.583 -1.126 1.00 40.41 H new ATOM 0 HA GLU A 38 -4.267 -12.822 -0.928 1.00 41.04 H new ATOM 0 HB2 GLU A 38 -5.452 -14.693 -2.145 1.00 11.41 H new ATOM 0 HB3 GLU A 38 -5.678 -15.496 -0.604 1.00 11.41 H new ATOM 0 HG2 GLU A 38 -7.005 -13.538 0.210 1.00 21.34 H new ATOM 0 HG3 GLU A 38 -6.796 -12.759 -1.345 1.00 21.34 H new ATOM 655 N ARG A 39 -4.729 -12.604 1.542 1.00 63.01 N ATOM 656 CA ARG A 39 -4.606 -12.286 2.979 1.00 41.41 C ATOM 657 C ARG A 39 -5.811 -11.481 3.470 1.00 32.32 C ATOM 658 O ARG A 39 -6.517 -10.844 2.690 1.00 20.30 O ATOM 659 CB ARG A 39 -3.306 -11.462 3.250 1.00 44.23 C ATOM 660 CG ARG A 39 -1.985 -12.256 3.179 1.00 24.15 C ATOM 661 CD ARG A 39 -1.862 -13.298 4.311 1.00 74.12 C ATOM 662 NE ARG A 39 -0.646 -14.111 4.200 1.00 12.53 N ATOM 663 CZ ARG A 39 -0.504 -15.183 3.412 1.00 32.24 C ATOM 664 NH1 ARG A 39 -1.501 -15.608 2.641 1.00 71.13 N ATOM 665 NH2 ARG A 39 0.625 -15.852 3.436 1.00 44.50 N ATOM 0 H ARG A 39 -5.164 -11.860 0.997 1.00 63.01 H new ATOM 0 HA ARG A 39 -4.562 -13.232 3.519 1.00 41.41 H new ATOM 0 HB2 ARG A 39 -3.258 -10.646 2.529 1.00 44.23 H new ATOM 0 HB3 ARG A 39 -3.384 -11.009 4.238 1.00 44.23 H new ATOM 0 HG2 ARG A 39 -1.920 -12.761 2.215 1.00 24.15 H new ATOM 0 HG3 ARG A 39 -1.145 -11.564 3.234 1.00 24.15 H new ATOM 0 HD2 ARG A 39 -1.866 -12.786 5.273 1.00 74.12 H new ATOM 0 HD3 ARG A 39 -2.734 -13.951 4.295 1.00 74.12 H new ATOM 0 HE ARG A 39 0.155 -13.837 4.769 1.00 12.53 H new ATOM 0 HH11 ARG A 39 -2.394 -15.115 2.644 1.00 71.13 H new ATOM 0 HH12 ARG A 39 -1.373 -16.427 2.047 1.00 71.13 H new ATOM 0 HH21 ARG A 39 1.382 -15.553 4.051 1.00 44.50 H new ATOM 0 HH22 ARG A 39 0.745 -16.671 2.840 1.00 44.50 H new ATOM 679 N LEU A 40 -6.001 -11.522 4.792 1.00 65.20 N ATOM 680 CA LEU A 40 -6.869 -10.608 5.525 1.00 32.42 C ATOM 681 C LEU A 40 -5.954 -9.519 6.106 1.00 65.23 C ATOM 682 O LEU A 40 -5.310 -9.728 7.146 1.00 53.45 O ATOM 683 CB LEU A 40 -7.652 -11.353 6.649 1.00 54.35 C ATOM 684 CG LEU A 40 -8.582 -10.475 7.561 1.00 35.33 C ATOM 685 CD1 LEU A 40 -9.690 -9.767 6.750 1.00 54.53 C ATOM 686 CD2 LEU A 40 -9.176 -11.317 8.711 1.00 12.14 C ATOM 0 H LEU A 40 -5.543 -12.208 5.392 1.00 65.20 H new ATOM 0 HA LEU A 40 -7.625 -10.174 4.871 1.00 32.42 H new ATOM 0 HB2 LEU A 40 -8.264 -12.126 6.183 1.00 54.35 H new ATOM 0 HB3 LEU A 40 -6.929 -11.861 7.288 1.00 54.35 H new ATOM 0 HG LEU A 40 -7.964 -9.691 7.999 1.00 35.33 H new ATOM 0 HD11 LEU A 40 -10.308 -9.172 7.422 1.00 54.53 H new ATOM 0 HD12 LEU A 40 -9.235 -9.116 6.003 1.00 54.53 H new ATOM 0 HD13 LEU A 40 -10.309 -10.513 6.252 1.00 54.53 H new ATOM 0 HD21 LEU A 40 -9.816 -10.688 9.329 1.00 12.14 H new ATOM 0 HD22 LEU A 40 -9.763 -12.136 8.296 1.00 12.14 H new ATOM 0 HD23 LEU A 40 -8.368 -11.722 9.320 1.00 12.14 H new ATOM 698 N PHE A 41 -5.817 -8.405 5.369 1.00 30.03 N ATOM 699 CA PHE A 41 -5.051 -7.243 5.832 1.00 11.41 C ATOM 700 C PHE A 41 -5.898 -6.469 6.842 1.00 73.30 C ATOM 701 O PHE A 41 -6.948 -5.921 6.500 1.00 22.22 O ATOM 702 CB PHE A 41 -4.642 -6.313 4.655 1.00 71.21 C ATOM 703 CG PHE A 41 -3.419 -6.769 3.861 1.00 62.02 C ATOM 704 CD1 PHE A 41 -3.519 -7.748 2.876 1.00 1.04 C ATOM 705 CD2 PHE A 41 -2.164 -6.202 4.096 1.00 74.32 C ATOM 706 CE1 PHE A 41 -2.410 -8.145 2.153 1.00 73.03 C ATOM 707 CE2 PHE A 41 -1.058 -6.601 3.374 1.00 2.20 C ATOM 708 CZ PHE A 41 -1.180 -7.571 2.403 1.00 31.12 C ATOM 0 H PHE A 41 -6.231 -8.287 4.444 1.00 30.03 H new ATOM 0 HA PHE A 41 -4.131 -7.596 6.298 1.00 11.41 H new ATOM 0 HB2 PHE A 41 -5.487 -6.225 3.972 1.00 71.21 H new ATOM 0 HB3 PHE A 41 -4.447 -5.316 5.051 1.00 71.21 H new ATOM 0 HD1 PHE A 41 -4.477 -8.204 2.674 1.00 1.04 H new ATOM 0 HD2 PHE A 41 -2.058 -5.440 4.854 1.00 74.32 H new ATOM 0 HE1 PHE A 41 -2.506 -8.905 1.392 1.00 73.03 H new ATOM 0 HE2 PHE A 41 -0.095 -6.152 3.570 1.00 2.20 H new ATOM 0 HZ PHE A 41 -0.314 -7.882 1.838 1.00 31.12 H new ATOM 718 N VAL A 42 -5.425 -6.461 8.084 1.00 12.54 N ATOM 719 CA VAL A 42 -6.009 -5.697 9.174 1.00 10.24 C ATOM 720 C VAL A 42 -5.125 -4.472 9.409 1.00 11.20 C ATOM 721 O VAL A 42 -3.923 -4.593 9.689 1.00 43.41 O ATOM 722 CB VAL A 42 -6.128 -6.559 10.482 1.00 10.24 C ATOM 723 CG1 VAL A 42 -6.556 -5.700 11.701 1.00 63.11 C ATOM 724 CG2 VAL A 42 -7.103 -7.742 10.261 1.00 12.11 C ATOM 0 H VAL A 42 -4.605 -6.999 8.364 1.00 12.54 H new ATOM 0 HA VAL A 42 -7.021 -5.391 8.909 1.00 10.24 H new ATOM 0 HB VAL A 42 -5.141 -6.962 10.708 1.00 10.24 H new ATOM 0 HG11 VAL A 42 -6.627 -6.333 12.585 1.00 63.11 H new ATOM 0 HG12 VAL A 42 -5.816 -4.918 11.873 1.00 63.11 H new ATOM 0 HG13 VAL A 42 -7.526 -5.244 11.502 1.00 63.11 H new ATOM 0 HG21 VAL A 42 -7.175 -8.330 11.176 1.00 12.11 H new ATOM 0 HG22 VAL A 42 -8.088 -7.357 9.999 1.00 12.11 H new ATOM 0 HG23 VAL A 42 -6.733 -8.373 9.453 1.00 12.11 H new ATOM 734 N LEU A 43 -5.731 -3.300 9.280 1.00 71.32 N ATOM 735 CA LEU A 43 -5.070 -2.018 9.482 1.00 31.22 C ATOM 736 C LEU A 43 -5.491 -1.500 10.846 1.00 63.13 C ATOM 737 O LEU A 43 -6.677 -1.468 11.149 1.00 63.01 O ATOM 738 CB LEU A 43 -5.484 -1.021 8.371 1.00 34.43 C ATOM 739 CG LEU A 43 -4.920 0.428 8.485 1.00 2.11 C ATOM 740 CD1 LEU A 43 -3.379 0.445 8.515 1.00 42.35 C ATOM 741 CD2 LEU A 43 -5.479 1.333 7.363 1.00 10.01 C ATOM 0 H LEU A 43 -6.715 -3.212 9.027 1.00 71.32 H new ATOM 0 HA LEU A 43 -3.987 -2.131 9.436 1.00 31.22 H new ATOM 0 HB2 LEU A 43 -5.173 -1.433 7.411 1.00 34.43 H new ATOM 0 HB3 LEU A 43 -6.572 -0.962 8.355 1.00 34.43 H new ATOM 0 HG LEU A 43 -5.258 0.835 9.438 1.00 2.11 H new ATOM 0 HD11 LEU A 43 -3.028 1.474 8.595 1.00 42.35 H new ATOM 0 HD12 LEU A 43 -3.025 -0.127 9.373 1.00 42.35 H new ATOM 0 HD13 LEU A 43 -2.992 -0.000 7.598 1.00 42.35 H new ATOM 0 HD21 LEU A 43 -5.069 2.337 7.467 1.00 10.01 H new ATOM 0 HD22 LEU A 43 -5.197 0.925 6.392 1.00 10.01 H new ATOM 0 HD23 LEU A 43 -6.566 1.375 7.437 1.00 10.01 H new ATOM 753 N THR A 44 -4.511 -1.152 11.668 1.00 33.23 N ATOM 754 CA THR A 44 -4.730 -0.488 12.955 1.00 55.03 C ATOM 755 C THR A 44 -4.021 0.871 12.895 1.00 53.24 C ATOM 756 O THR A 44 -3.185 1.094 12.009 1.00 3.12 O ATOM 757 CB THR A 44 -4.204 -1.340 14.167 1.00 55.44 C ATOM 758 OG1 THR A 44 -2.769 -1.393 14.174 1.00 31.25 O ATOM 759 CG2 THR A 44 -4.759 -2.779 14.144 1.00 32.14 C ATOM 0 H THR A 44 -3.527 -1.323 11.461 1.00 33.23 H new ATOM 0 HA THR A 44 -5.800 -0.364 13.121 1.00 55.03 H new ATOM 0 HB THR A 44 -4.557 -0.845 15.071 1.00 55.44 H new ATOM 0 HG1 THR A 44 -2.450 -1.726 13.309 1.00 31.25 H new ATOM 0 HG21 THR A 44 -4.370 -3.333 14.999 1.00 32.14 H new ATOM 0 HG22 THR A 44 -5.847 -2.750 14.195 1.00 32.14 H new ATOM 0 HG23 THR A 44 -4.452 -3.273 13.222 1.00 32.14 H new ATOM 767 N LYS A 45 -4.331 1.766 13.849 1.00 61.12 N ATOM 768 CA LYS A 45 -3.801 3.156 13.848 1.00 2.23 C ATOM 769 C LYS A 45 -2.274 3.217 14.119 1.00 22.21 C ATOM 770 O LYS A 45 -1.678 4.300 14.093 1.00 23.31 O ATOM 771 CB LYS A 45 -4.575 4.029 14.875 1.00 54.02 C ATOM 772 CG LYS A 45 -6.117 3.989 14.731 1.00 4.41 C ATOM 773 CD LYS A 45 -6.824 5.042 15.619 1.00 21.13 C ATOM 774 CE LYS A 45 -6.532 4.867 17.125 1.00 54.33 C ATOM 775 NZ LYS A 45 -6.955 6.058 17.912 1.00 70.21 N ATOM 0 H LYS A 45 -4.947 1.559 14.635 1.00 61.12 H new ATOM 0 HA LYS A 45 -3.956 3.556 12.846 1.00 2.23 H new ATOM 0 HB2 LYS A 45 -4.310 3.703 15.881 1.00 54.02 H new ATOM 0 HB3 LYS A 45 -4.242 5.062 14.777 1.00 54.02 H new ATOM 0 HG2 LYS A 45 -6.386 4.159 13.688 1.00 4.41 H new ATOM 0 HG3 LYS A 45 -6.478 2.995 14.995 1.00 4.41 H new ATOM 0 HD2 LYS A 45 -6.510 6.039 15.309 1.00 21.13 H new ATOM 0 HD3 LYS A 45 -7.900 4.982 15.455 1.00 21.13 H new ATOM 0 HE2 LYS A 45 -7.051 3.983 17.496 1.00 54.33 H new ATOM 0 HE3 LYS A 45 -5.466 4.695 17.271 1.00 54.33 H new ATOM 0 HZ1 LYS A 45 -6.743 5.903 18.918 1.00 70.21 H new ATOM 0 HZ2 LYS A 45 -6.441 6.897 17.575 1.00 70.21 H new ATOM 0 HZ3 LYS A 45 -7.977 6.207 17.793 1.00 70.21 H new ATOM 789 N SER A 46 -1.652 2.051 14.381 1.00 74.33 N ATOM 790 CA SER A 46 -0.211 1.935 14.645 1.00 10.15 C ATOM 791 C SER A 46 0.480 0.973 13.647 1.00 35.35 C ATOM 792 O SER A 46 1.625 1.219 13.248 1.00 21.41 O ATOM 793 CB SER A 46 -0.004 1.439 16.093 1.00 45.14 C ATOM 794 OG SER A 46 -0.654 2.291 17.024 1.00 33.53 O ATOM 0 H SER A 46 -2.143 1.158 14.415 1.00 74.33 H new ATOM 0 HA SER A 46 0.244 2.917 14.516 1.00 10.15 H new ATOM 0 HB2 SER A 46 -0.391 0.425 16.192 1.00 45.14 H new ATOM 0 HB3 SER A 46 1.062 1.397 16.317 1.00 45.14 H new ATOM 0 HG SER A 46 -0.509 1.954 17.933 1.00 33.53 H new ATOM 800 N MET A 47 -0.210 -0.129 13.251 1.00 22.24 N ATOM 801 CA MET A 47 0.396 -1.215 12.422 1.00 21.11 C ATOM 802 C MET A 47 -0.593 -1.788 11.380 1.00 10.01 C ATOM 803 O MET A 47 -1.747 -2.063 11.690 1.00 35.23 O ATOM 804 CB MET A 47 0.902 -2.382 13.333 1.00 13.34 C ATOM 805 CG MET A 47 2.119 -2.047 14.214 1.00 55.11 C ATOM 806 SD MET A 47 2.456 -3.288 15.488 1.00 31.24 S ATOM 807 CE MET A 47 2.703 -4.783 14.528 1.00 34.21 C ATOM 0 H MET A 47 -1.188 -0.292 13.491 1.00 22.24 H new ATOM 0 HA MET A 47 1.231 -0.764 11.886 1.00 21.11 H new ATOM 0 HB2 MET A 47 0.083 -2.699 13.979 1.00 13.34 H new ATOM 0 HB3 MET A 47 1.155 -3.232 12.700 1.00 13.34 H new ATOM 0 HG2 MET A 47 2.999 -1.942 13.579 1.00 55.11 H new ATOM 0 HG3 MET A 47 1.955 -1.082 14.693 1.00 55.11 H new ATOM 0 HE1 MET A 47 3.204 -5.531 15.142 1.00 34.21 H new ATOM 0 HE2 MET A 47 1.738 -5.169 14.201 1.00 34.21 H new ATOM 0 HE3 MET A 47 3.318 -4.558 13.657 1.00 34.21 H new ATOM 817 N LEU A 48 -0.095 -1.987 10.153 1.00 15.52 N ATOM 818 CA LEU A 48 -0.760 -2.765 9.097 1.00 44.12 C ATOM 819 C LEU A 48 -0.144 -4.180 9.099 1.00 71.50 C ATOM 820 O LEU A 48 1.048 -4.342 8.802 1.00 75.30 O ATOM 821 CB LEU A 48 -0.557 -2.074 7.712 1.00 62.34 C ATOM 822 CG LEU A 48 -1.089 -2.844 6.451 1.00 50.12 C ATOM 823 CD1 LEU A 48 -2.612 -3.086 6.525 1.00 33.24 C ATOM 824 CD2 LEU A 48 -0.692 -2.110 5.147 1.00 31.44 C ATOM 0 H LEU A 48 0.803 -1.603 9.859 1.00 15.52 H new ATOM 0 HA LEU A 48 -1.833 -2.825 9.280 1.00 44.12 H new ATOM 0 HB2 LEU A 48 -1.043 -1.099 7.745 1.00 62.34 H new ATOM 0 HB3 LEU A 48 0.509 -1.894 7.575 1.00 62.34 H new ATOM 0 HG LEU A 48 -0.614 -3.825 6.441 1.00 50.12 H new ATOM 0 HD11 LEU A 48 -2.939 -3.621 5.634 1.00 33.24 H new ATOM 0 HD12 LEU A 48 -2.844 -3.679 7.410 1.00 33.24 H new ATOM 0 HD13 LEU A 48 -3.130 -2.129 6.584 1.00 33.24 H new ATOM 0 HD21 LEU A 48 -1.072 -2.663 4.288 1.00 31.44 H new ATOM 0 HD22 LEU A 48 -1.118 -1.107 5.150 1.00 31.44 H new ATOM 0 HD23 LEU A 48 0.394 -2.043 5.084 1.00 31.44 H new ATOM 836 N THR A 49 -0.944 -5.186 9.479 1.00 31.30 N ATOM 837 CA THR A 49 -0.513 -6.595 9.536 1.00 3.40 C ATOM 838 C THR A 49 -1.548 -7.479 8.815 1.00 71.24 C ATOM 839 O THR A 49 -2.752 -7.257 8.934 1.00 52.10 O ATOM 840 CB THR A 49 -0.328 -7.068 11.022 1.00 21.50 C ATOM 841 OG1 THR A 49 0.553 -6.161 11.713 1.00 54.41 O ATOM 842 CG2 THR A 49 0.253 -8.498 11.120 1.00 33.43 C ATOM 0 H THR A 49 -1.915 -5.047 9.758 1.00 31.30 H new ATOM 0 HA THR A 49 0.451 -6.687 9.035 1.00 3.40 H new ATOM 0 HB THR A 49 -1.317 -7.075 11.481 1.00 21.50 H new ATOM 0 HG1 THR A 49 0.666 -6.457 12.640 1.00 54.41 H new ATOM 0 HG21 THR A 49 0.361 -8.776 12.168 1.00 33.43 H new ATOM 0 HG22 THR A 49 -0.420 -9.199 10.626 1.00 33.43 H new ATOM 0 HG23 THR A 49 1.228 -8.528 10.634 1.00 33.43 H new ATOM 850 N TYR A 50 -1.057 -8.487 8.087 1.00 34.11 N ATOM 851 CA TYR A 50 -1.888 -9.421 7.300 1.00 73.00 C ATOM 852 C TYR A 50 -2.030 -10.761 8.040 1.00 22.41 C ATOM 853 O TYR A 50 -1.200 -11.094 8.887 1.00 23.40 O ATOM 854 CB TYR A 50 -1.275 -9.613 5.882 1.00 11.50 C ATOM 855 CG TYR A 50 0.267 -9.693 5.843 1.00 21.44 C ATOM 856 CD1 TYR A 50 0.958 -10.879 6.129 1.00 73.43 C ATOM 857 CD2 TYR A 50 1.033 -8.560 5.531 1.00 30.05 C ATOM 858 CE1 TYR A 50 2.343 -10.925 6.101 1.00 62.32 C ATOM 859 CE2 TYR A 50 2.410 -8.608 5.502 1.00 55.21 C ATOM 860 CZ TYR A 50 3.061 -9.788 5.786 1.00 74.24 C ATOM 861 OH TYR A 50 4.438 -9.825 5.743 1.00 31.21 O ATOM 0 H TYR A 50 -0.058 -8.685 8.023 1.00 34.11 H new ATOM 0 HA TYR A 50 -2.887 -9.002 7.181 1.00 73.00 H new ATOM 0 HB2 TYR A 50 -1.682 -10.526 5.447 1.00 11.50 H new ATOM 0 HB3 TYR A 50 -1.597 -8.787 5.248 1.00 11.50 H new ATOM 0 HD1 TYR A 50 0.402 -11.771 6.375 1.00 73.43 H new ATOM 0 HD2 TYR A 50 0.532 -7.629 5.309 1.00 30.05 H new ATOM 0 HE1 TYR A 50 2.859 -11.847 6.325 1.00 62.32 H new ATOM 0 HE2 TYR A 50 2.977 -7.722 5.257 1.00 55.21 H new ATOM 0 HH TYR A 50 4.782 -8.939 5.504 1.00 31.21 H new ATOM 871 N TYR A 51 -3.098 -11.512 7.712 1.00 63.31 N ATOM 872 CA TYR A 51 -3.464 -12.762 8.416 1.00 74.05 C ATOM 873 C TYR A 51 -3.933 -13.837 7.421 1.00 44.43 C ATOM 874 O TYR A 51 -4.638 -13.530 6.457 1.00 44.31 O ATOM 875 CB TYR A 51 -4.569 -12.483 9.479 1.00 42.20 C ATOM 876 CG TYR A 51 -4.115 -11.559 10.626 1.00 52.54 C ATOM 877 CD1 TYR A 51 -3.397 -12.059 11.715 1.00 71.33 C ATOM 878 CD2 TYR A 51 -4.378 -10.182 10.603 1.00 43.43 C ATOM 879 CE1 TYR A 51 -2.971 -11.225 12.735 1.00 0.22 C ATOM 880 CE2 TYR A 51 -3.948 -9.352 11.621 1.00 53.25 C ATOM 881 CZ TYR A 51 -3.249 -9.874 12.681 1.00 41.54 C ATOM 882 OH TYR A 51 -2.827 -9.042 13.697 1.00 25.15 O ATOM 0 H TYR A 51 -3.734 -11.272 6.951 1.00 63.31 H new ATOM 0 HA TYR A 51 -2.577 -13.137 8.926 1.00 74.05 H new ATOM 0 HB2 TYR A 51 -5.430 -12.035 8.984 1.00 42.20 H new ATOM 0 HB3 TYR A 51 -4.902 -13.432 9.900 1.00 42.20 H new ATOM 0 HD1 TYR A 51 -3.170 -13.114 11.762 1.00 71.33 H new ATOM 0 HD2 TYR A 51 -4.927 -9.762 9.774 1.00 43.43 H new ATOM 0 HE1 TYR A 51 -2.422 -11.631 13.572 1.00 0.22 H new ATOM 0 HE2 TYR A 51 -4.162 -8.294 11.583 1.00 53.25 H new ATOM 0 HH TYR A 51 -3.104 -8.122 13.503 1.00 25.15 H new ATOM 1081 N PHE A 63 5.231 -6.656 9.078 1.00 2.33 N ATOM 1082 CA PHE A 63 4.326 -5.608 9.558 1.00 42.44 C ATOM 1083 C PHE A 63 4.838 -4.258 9.068 1.00 72.31 C ATOM 1084 O PHE A 63 6.051 -4.065 8.885 1.00 3.45 O ATOM 1085 CB PHE A 63 4.184 -5.622 11.112 1.00 70.12 C ATOM 1086 CG PHE A 63 5.489 -5.417 11.900 1.00 4.54 C ATOM 1087 CD1 PHE A 63 6.350 -6.492 12.159 1.00 4.13 C ATOM 1088 CD2 PHE A 63 5.851 -4.155 12.394 1.00 14.42 C ATOM 1089 CE1 PHE A 63 7.519 -6.310 12.879 1.00 13.43 C ATOM 1090 CE2 PHE A 63 7.021 -3.982 13.110 1.00 61.34 C ATOM 1091 CZ PHE A 63 7.854 -5.056 13.354 1.00 70.30 C ATOM 0 HA PHE A 63 3.330 -5.794 9.157 1.00 42.44 H new ATOM 0 HB2 PHE A 63 3.479 -4.842 11.402 1.00 70.12 H new ATOM 0 HB3 PHE A 63 3.746 -6.574 11.410 1.00 70.12 H new ATOM 0 HD1 PHE A 63 6.098 -7.476 11.792 1.00 4.13 H new ATOM 0 HD2 PHE A 63 5.207 -3.307 12.213 1.00 14.42 H new ATOM 0 HE1 PHE A 63 8.170 -7.150 13.070 1.00 13.43 H new ATOM 0 HE2 PHE A 63 7.285 -3.002 13.480 1.00 61.34 H new ATOM 0 HZ PHE A 63 8.766 -4.916 13.915 1.00 70.30 H new ATOM 1101 N ILE A 64 3.913 -3.331 8.847 1.00 54.05 N ATOM 1102 CA ILE A 64 4.230 -1.977 8.407 1.00 31.12 C ATOM 1103 C ILE A 64 3.744 -1.006 9.484 1.00 12.11 C ATOM 1104 O ILE A 64 2.551 -0.936 9.767 1.00 4.43 O ATOM 1105 CB ILE A 64 3.576 -1.636 7.013 1.00 50.15 C ATOM 1106 CG1 ILE A 64 4.031 -2.666 5.922 1.00 71.44 C ATOM 1107 CG2 ILE A 64 3.919 -0.187 6.593 1.00 33.51 C ATOM 1108 CD1 ILE A 64 3.477 -2.412 4.531 1.00 71.02 C ATOM 0 H ILE A 64 2.914 -3.499 8.969 1.00 54.05 H new ATOM 0 HA ILE A 64 5.308 -1.889 8.269 1.00 31.12 H new ATOM 0 HB ILE A 64 2.493 -1.710 7.111 1.00 50.15 H new ATOM 0 HG12 ILE A 64 5.120 -2.661 5.870 1.00 71.44 H new ATOM 0 HG13 ILE A 64 3.732 -3.665 6.239 1.00 71.44 H new ATOM 0 HG21 ILE A 64 3.459 0.031 5.629 1.00 33.51 H new ATOM 0 HG22 ILE A 64 3.539 0.508 7.341 1.00 33.51 H new ATOM 0 HG23 ILE A 64 5.001 -0.078 6.512 1.00 33.51 H new ATOM 0 HD11 ILE A 64 3.847 -3.175 3.847 1.00 71.02 H new ATOM 0 HD12 ILE A 64 2.388 -2.449 4.561 1.00 71.02 H new ATOM 0 HD13 ILE A 64 3.797 -1.429 4.186 1.00 71.02 H new ATOM 1120 N ASP A 65 4.681 -0.289 10.094 1.00 33.44 N ATOM 1121 CA ASP A 65 4.371 0.738 11.087 1.00 51.13 C ATOM 1122 C ASP A 65 3.810 1.943 10.334 1.00 34.50 C ATOM 1123 O ASP A 65 4.454 2.436 9.396 1.00 53.24 O ATOM 1124 CB ASP A 65 5.636 1.126 11.885 1.00 60.35 C ATOM 1125 CG ASP A 65 6.258 -0.066 12.631 1.00 54.14 C ATOM 1126 OD1 ASP A 65 5.849 -0.340 13.789 1.00 13.03 O ATOM 1127 OD2 ASP A 65 7.153 -0.735 12.057 1.00 64.02 O ATOM 0 H ASP A 65 5.679 -0.402 9.915 1.00 33.44 H new ATOM 0 HA ASP A 65 3.642 0.367 11.808 1.00 51.13 H new ATOM 0 HB2 ASP A 65 6.375 1.548 11.204 1.00 60.35 H new ATOM 0 HB3 ASP A 65 5.382 1.906 12.603 1.00 60.35 H new ATOM 1132 N VAL A 66 2.591 2.373 10.706 1.00 11.12 N ATOM 1133 CA VAL A 66 1.940 3.560 10.113 1.00 64.03 C ATOM 1134 C VAL A 66 2.802 4.826 10.359 1.00 0.24 C ATOM 1135 O VAL A 66 2.800 5.758 9.551 1.00 33.24 O ATOM 1136 CB VAL A 66 0.463 3.750 10.643 1.00 72.32 C ATOM 1137 CG1 VAL A 66 -0.220 4.967 9.977 1.00 75.33 C ATOM 1138 CG2 VAL A 66 -0.377 2.464 10.417 1.00 15.22 C ATOM 0 H VAL A 66 2.030 1.912 11.422 1.00 11.12 H new ATOM 0 HA VAL A 66 1.866 3.400 9.037 1.00 64.03 H new ATOM 0 HB VAL A 66 0.520 3.940 11.715 1.00 72.32 H new ATOM 0 HG11 VAL A 66 -1.234 5.071 10.362 1.00 75.33 H new ATOM 0 HG12 VAL A 66 0.348 5.870 10.201 1.00 75.33 H new ATOM 0 HG13 VAL A 66 -0.255 4.819 8.898 1.00 75.33 H new ATOM 0 HG21 VAL A 66 -1.389 2.620 10.790 1.00 15.22 H new ATOM 0 HG22 VAL A 66 -0.414 2.236 9.352 1.00 15.22 H new ATOM 0 HG23 VAL A 66 0.082 1.631 10.950 1.00 15.22 H new ATOM 1148 N SER A 67 3.581 4.788 11.462 1.00 62.32 N ATOM 1149 CA SER A 67 4.611 5.788 11.794 1.00 42.12 C ATOM 1150 C SER A 67 5.672 5.882 10.672 1.00 41.42 C ATOM 1151 O SER A 67 6.044 6.968 10.233 1.00 24.21 O ATOM 1152 CB SER A 67 5.296 5.378 13.124 1.00 64.22 C ATOM 1153 OG SER A 67 4.330 5.052 14.110 1.00 41.05 O ATOM 0 H SER A 67 3.508 4.046 12.158 1.00 62.32 H new ATOM 0 HA SER A 67 4.137 6.764 11.897 1.00 42.12 H new ATOM 0 HB2 SER A 67 5.950 4.523 12.953 1.00 64.22 H new ATOM 0 HB3 SER A 67 5.925 6.194 13.481 1.00 64.22 H new ATOM 0 HG SER A 67 4.783 4.795 14.940 1.00 41.05 H new ATOM 1159 N LYS A 68 6.107 4.702 10.196 1.00 1.41 N ATOM 1160 CA LYS A 68 7.217 4.550 9.238 1.00 40.13 C ATOM 1161 C LYS A 68 6.796 4.828 7.785 1.00 41.21 C ATOM 1162 O LYS A 68 7.672 5.008 6.928 1.00 40.04 O ATOM 1163 CB LYS A 68 7.799 3.114 9.352 1.00 23.44 C ATOM 1164 CG LYS A 68 8.659 2.858 10.613 1.00 71.30 C ATOM 1165 CD LYS A 68 9.963 3.681 10.590 1.00 43.11 C ATOM 1166 CE LYS A 68 10.940 3.336 11.721 1.00 45.41 C ATOM 1167 NZ LYS A 68 12.210 4.103 11.576 1.00 12.42 N ATOM 0 H LYS A 68 5.690 3.812 10.471 1.00 1.41 H new ATOM 0 HA LYS A 68 7.973 5.292 9.495 1.00 40.13 H new ATOM 0 HB2 LYS A 68 6.974 2.401 9.342 1.00 23.44 H new ATOM 0 HB3 LYS A 68 8.406 2.912 8.469 1.00 23.44 H new ATOM 0 HG2 LYS A 68 8.084 3.112 11.503 1.00 71.30 H new ATOM 0 HG3 LYS A 68 8.899 1.797 10.681 1.00 71.30 H new ATOM 0 HD2 LYS A 68 10.462 3.525 9.633 1.00 43.11 H new ATOM 0 HD3 LYS A 68 9.713 4.740 10.651 1.00 43.11 H new ATOM 0 HE2 LYS A 68 10.482 3.561 12.684 1.00 45.41 H new ATOM 0 HE3 LYS A 68 11.152 2.267 11.711 1.00 45.41 H new ATOM 0 HZ1 LYS A 68 12.882 3.805 12.312 1.00 12.42 H new ATOM 0 HZ2 LYS A 68 12.620 3.921 10.638 1.00 12.42 H new ATOM 0 HZ3 LYS A 68 12.015 5.120 11.677 1.00 12.42 H new ATOM 1181 N ILE A 69 5.472 4.833 7.508 1.00 34.11 N ATOM 1182 CA ILE A 69 4.954 5.025 6.141 1.00 22.23 C ATOM 1183 C ILE A 69 5.239 6.461 5.664 1.00 33.41 C ATOM 1184 O ILE A 69 4.790 7.440 6.272 1.00 42.34 O ATOM 1185 CB ILE A 69 3.420 4.732 6.007 1.00 21.15 C ATOM 1186 CG1 ILE A 69 3.060 3.306 6.515 1.00 11.24 C ATOM 1187 CG2 ILE A 69 2.963 4.908 4.538 1.00 54.50 C ATOM 1188 CD1 ILE A 69 1.570 2.961 6.473 1.00 71.42 C ATOM 0 H ILE A 69 4.747 4.706 8.214 1.00 34.11 H new ATOM 0 HA ILE A 69 5.475 4.300 5.515 1.00 22.23 H new ATOM 0 HB ILE A 69 2.892 5.451 6.634 1.00 21.15 H new ATOM 0 HG12 ILE A 69 3.604 2.575 5.916 1.00 11.24 H new ATOM 0 HG13 ILE A 69 3.413 3.203 7.541 1.00 11.24 H new ATOM 0 HG21 ILE A 69 1.896 4.701 4.462 1.00 54.50 H new ATOM 0 HG22 ILE A 69 3.158 5.931 4.216 1.00 54.50 H new ATOM 0 HG23 ILE A 69 3.513 4.216 3.900 1.00 54.50 H new ATOM 0 HD11 ILE A 69 1.420 1.948 6.846 1.00 71.42 H new ATOM 0 HD12 ILE A 69 1.016 3.663 7.096 1.00 71.42 H new ATOM 0 HD13 ILE A 69 1.210 3.026 5.446 1.00 71.42 H new ATOM 1200 N LYS A 70 6.011 6.552 4.581 1.00 60.53 N ATOM 1201 CA LYS A 70 6.434 7.819 3.977 1.00 1.34 C ATOM 1202 C LYS A 70 5.498 8.227 2.821 1.00 42.15 C ATOM 1203 O LYS A 70 5.454 9.405 2.441 1.00 13.40 O ATOM 1204 CB LYS A 70 7.893 7.678 3.471 1.00 44.30 C ATOM 1205 CG LYS A 70 8.890 7.117 4.517 1.00 73.14 C ATOM 1206 CD LYS A 70 10.365 7.309 4.101 1.00 54.42 C ATOM 1207 CE LYS A 70 10.731 6.602 2.783 1.00 23.11 C ATOM 1208 NZ LYS A 70 12.135 6.895 2.387 1.00 14.11 N ATOM 0 H LYS A 70 6.367 5.733 4.089 1.00 60.53 H new ATOM 0 HA LYS A 70 6.382 8.604 4.731 1.00 1.34 H new ATOM 0 HB2 LYS A 70 7.899 7.026 2.597 1.00 44.30 H new ATOM 0 HB3 LYS A 70 8.245 8.656 3.141 1.00 44.30 H new ATOM 0 HG2 LYS A 70 8.720 7.609 5.475 1.00 73.14 H new ATOM 0 HG3 LYS A 70 8.694 6.055 4.666 1.00 73.14 H new ATOM 0 HD2 LYS A 70 10.570 8.375 4.001 1.00 54.42 H new ATOM 0 HD3 LYS A 70 11.010 6.934 4.896 1.00 54.42 H new ATOM 0 HE2 LYS A 70 10.599 5.526 2.896 1.00 23.11 H new ATOM 0 HE3 LYS A 70 10.053 6.925 1.993 1.00 23.11 H new ATOM 0 HZ1 LYS A 70 12.354 6.406 1.496 1.00 14.11 H new ATOM 0 HZ2 LYS A 70 12.252 7.920 2.257 1.00 14.11 H new ATOM 0 HZ3 LYS A 70 12.782 6.564 3.131 1.00 14.11 H new ATOM 1222 N CYS A 71 4.761 7.242 2.270 1.00 74.22 N ATOM 1223 CA CYS A 71 3.870 7.450 1.114 1.00 13.32 C ATOM 1224 C CYS A 71 2.906 6.266 0.947 1.00 33.23 C ATOM 1225 O CYS A 71 3.311 5.112 1.090 1.00 3.34 O ATOM 1226 CB CYS A 71 4.699 7.628 -0.186 1.00 31.04 C ATOM 1227 SG CYS A 71 3.713 7.741 -1.698 1.00 15.30 S ATOM 0 H CYS A 71 4.767 6.282 2.614 1.00 74.22 H new ATOM 0 HA CYS A 71 3.290 8.355 1.298 1.00 13.32 H new ATOM 0 HB2 CYS A 71 5.305 8.530 -0.095 1.00 31.04 H new ATOM 0 HB3 CYS A 71 5.389 6.789 -0.279 1.00 31.04 H new ATOM 0 HG CYS A 71 3.220 8.939 -1.806 1.00 15.30 H new ATOM 1233 N VAL A 72 1.623 6.570 0.677 1.00 54.15 N ATOM 1234 CA VAL A 72 0.631 5.593 0.177 1.00 32.53 C ATOM 1235 C VAL A 72 -0.049 6.190 -1.052 1.00 3.44 C ATOM 1236 O VAL A 72 -0.692 7.245 -0.973 1.00 24.44 O ATOM 1237 CB VAL A 72 -0.462 5.175 1.238 1.00 14.11 C ATOM 1238 CG1 VAL A 72 -1.592 4.321 0.586 1.00 65.12 C ATOM 1239 CG2 VAL A 72 0.189 4.406 2.404 1.00 13.03 C ATOM 0 H VAL A 72 1.240 7.507 0.800 1.00 54.15 H new ATOM 0 HA VAL A 72 1.174 4.678 -0.061 1.00 32.53 H new ATOM 0 HB VAL A 72 -0.916 6.087 1.626 1.00 14.11 H new ATOM 0 HG11 VAL A 72 -2.327 4.051 1.344 1.00 65.12 H new ATOM 0 HG12 VAL A 72 -2.077 4.899 -0.200 1.00 65.12 H new ATOM 0 HG13 VAL A 72 -1.163 3.415 0.158 1.00 65.12 H new ATOM 0 HG21 VAL A 72 -0.577 4.125 3.127 1.00 13.03 H new ATOM 0 HG22 VAL A 72 0.674 3.508 2.022 1.00 13.03 H new ATOM 0 HG23 VAL A 72 0.931 5.041 2.889 1.00 13.03 H new ATOM 1249 N GLU A 73 0.092 5.489 -2.170 1.00 25.31 N ATOM 1250 CA GLU A 73 -0.442 5.905 -3.466 1.00 71.45 C ATOM 1251 C GLU A 73 -0.616 4.634 -4.313 1.00 34.11 C ATOM 1252 O GLU A 73 0.023 3.612 -4.036 1.00 23.43 O ATOM 1253 CB GLU A 73 0.529 6.948 -4.144 1.00 4.53 C ATOM 1254 CG GLU A 73 -0.154 8.129 -4.882 1.00 32.34 C ATOM 1255 CD GLU A 73 -1.090 7.701 -6.019 1.00 3.52 C ATOM 1256 OE1 GLU A 73 -0.593 7.259 -7.074 1.00 62.21 O ATOM 1257 OE2 GLU A 73 -2.326 7.761 -5.853 1.00 54.23 O ATOM 0 H GLU A 73 0.589 4.599 -2.205 1.00 25.31 H new ATOM 0 HA GLU A 73 -1.405 6.405 -3.361 1.00 71.45 H new ATOM 0 HB2 GLU A 73 1.186 7.356 -3.376 1.00 4.53 H new ATOM 0 HB3 GLU A 73 1.161 6.417 -4.856 1.00 4.53 H new ATOM 0 HG2 GLU A 73 -0.722 8.715 -4.159 1.00 32.34 H new ATOM 0 HG3 GLU A 73 0.617 8.784 -5.288 1.00 32.34 H new ATOM 1264 N ILE A 74 -1.499 4.682 -5.314 1.00 42.51 N ATOM 1265 CA ILE A 74 -1.726 3.547 -6.211 1.00 65.03 C ATOM 1266 C ILE A 74 -0.603 3.438 -7.243 1.00 25.31 C ATOM 1267 O ILE A 74 0.151 4.398 -7.483 1.00 64.20 O ATOM 1268 CB ILE A 74 -3.152 3.603 -6.893 1.00 4.32 C ATOM 1269 CG1 ILE A 74 -3.377 4.890 -7.778 1.00 33.42 C ATOM 1270 CG2 ILE A 74 -4.235 3.499 -5.806 1.00 55.03 C ATOM 1271 CD1 ILE A 74 -2.925 4.782 -9.230 1.00 32.45 C ATOM 0 H ILE A 74 -2.071 5.500 -5.524 1.00 42.51 H new ATOM 0 HA ILE A 74 -1.711 2.641 -5.606 1.00 65.03 H new ATOM 0 HB ILE A 74 -3.217 2.758 -7.578 1.00 4.32 H new ATOM 0 HG12 ILE A 74 -4.439 5.136 -7.765 1.00 33.42 H new ATOM 0 HG13 ILE A 74 -2.850 5.724 -7.314 1.00 33.42 H new ATOM 0 HG21 ILE A 74 -5.221 3.537 -6.270 1.00 55.03 H new ATOM 0 HG22 ILE A 74 -4.123 2.557 -5.269 1.00 55.03 H new ATOM 0 HG23 ILE A 74 -4.130 4.329 -5.108 1.00 55.03 H new ATOM 0 HD11 ILE A 74 -3.127 5.721 -9.745 1.00 32.45 H new ATOM 0 HD12 ILE A 74 -1.856 4.572 -9.264 1.00 32.45 H new ATOM 0 HD13 ILE A 74 -3.469 3.975 -9.721 1.00 32.45 H new ATOM 1283 N VAL A 75 -0.529 2.276 -7.882 1.00 42.51 N ATOM 1284 CA VAL A 75 0.469 1.986 -8.900 1.00 43.15 C ATOM 1285 C VAL A 75 -0.235 2.024 -10.253 1.00 22.52 C ATOM 1286 O VAL A 75 -1.118 1.197 -10.532 1.00 10.35 O ATOM 1287 CB VAL A 75 1.153 0.584 -8.707 1.00 52.52 C ATOM 1288 CG1 VAL A 75 2.293 0.380 -9.732 1.00 52.10 C ATOM 1289 CG2 VAL A 75 1.651 0.404 -7.261 1.00 21.30 C ATOM 0 H VAL A 75 -1.168 1.501 -7.704 1.00 42.51 H new ATOM 0 HA VAL A 75 1.263 2.730 -8.828 1.00 43.15 H new ATOM 0 HB VAL A 75 0.404 -0.186 -8.891 1.00 52.52 H new ATOM 0 HG11 VAL A 75 2.750 -0.597 -9.578 1.00 52.10 H new ATOM 0 HG12 VAL A 75 1.888 0.436 -10.742 1.00 52.10 H new ATOM 0 HG13 VAL A 75 3.045 1.158 -9.599 1.00 52.10 H new ATOM 0 HG21 VAL A 75 2.120 -0.575 -7.157 1.00 21.30 H new ATOM 0 HG22 VAL A 75 2.378 1.181 -7.027 1.00 21.30 H new ATOM 0 HG23 VAL A 75 0.808 0.478 -6.574 1.00 21.30 H new ATOM 1299 N LYS A 76 0.115 3.025 -11.057 1.00 65.32 N ATOM 1300 CA LYS A 76 -0.333 3.130 -12.444 1.00 15.20 C ATOM 1301 C LYS A 76 0.403 2.054 -13.263 1.00 40.55 C ATOM 1302 O LYS A 76 1.632 1.979 -13.226 1.00 41.33 O ATOM 1303 CB LYS A 76 -0.084 4.584 -12.940 1.00 24.21 C ATOM 1304 CG LYS A 76 -1.129 5.609 -12.385 1.00 51.02 C ATOM 1305 CD LYS A 76 -0.571 7.028 -12.118 1.00 34.44 C ATOM 1306 CE LYS A 76 0.445 7.062 -10.959 1.00 14.55 C ATOM 1307 NZ LYS A 76 -0.102 6.485 -9.697 1.00 24.42 N ATOM 0 H LYS A 76 0.721 3.791 -10.763 1.00 65.32 H new ATOM 0 HA LYS A 76 -1.401 2.945 -12.555 1.00 15.20 H new ATOM 0 HB2 LYS A 76 0.917 4.897 -12.642 1.00 24.21 H new ATOM 0 HB3 LYS A 76 -0.112 4.600 -14.030 1.00 24.21 H new ATOM 0 HG2 LYS A 76 -1.953 5.686 -13.094 1.00 51.02 H new ATOM 0 HG3 LYS A 76 -1.543 5.217 -11.456 1.00 51.02 H new ATOM 0 HD2 LYS A 76 -0.094 7.402 -13.024 1.00 34.44 H new ATOM 0 HD3 LYS A 76 -1.397 7.702 -11.891 1.00 34.44 H new ATOM 0 HE2 LYS A 76 1.339 6.510 -11.249 1.00 14.55 H new ATOM 0 HE3 LYS A 76 0.751 8.093 -10.780 1.00 14.55 H new ATOM 0 HZ1 LYS A 76 0.330 6.963 -8.881 1.00 24.42 H new ATOM 0 HZ2 LYS A 76 -1.133 6.621 -9.671 1.00 24.42 H new ATOM 0 HZ3 LYS A 76 0.114 5.469 -9.658 1.00 24.42 H new ATOM 1382 N ILE A 82 -2.319 -7.084 -15.225 1.00 34.34 N ATOM 1383 CA ILE A 82 -2.221 -7.512 -13.820 1.00 62.13 C ATOM 1384 C ILE A 82 -2.380 -9.056 -13.762 1.00 52.15 C ATOM 1385 O ILE A 82 -3.469 -9.570 -14.060 1.00 3.03 O ATOM 1386 CB ILE A 82 -3.301 -6.790 -12.919 1.00 0.24 C ATOM 1387 CG1 ILE A 82 -3.083 -5.241 -12.926 1.00 1.43 C ATOM 1388 CG2 ILE A 82 -3.307 -7.337 -11.470 1.00 42.22 C ATOM 1389 CD1 ILE A 82 -1.737 -4.771 -12.380 1.00 21.22 C ATOM 0 HA ILE A 82 -1.246 -7.230 -13.423 1.00 62.13 H new ATOM 0 HB ILE A 82 -4.279 -7.005 -13.350 1.00 0.24 H new ATOM 0 HG12 ILE A 82 -3.188 -4.880 -13.949 1.00 1.43 H new ATOM 0 HG13 ILE A 82 -3.877 -4.776 -12.341 1.00 1.43 H new ATOM 0 HG21 ILE A 82 -4.064 -6.813 -10.886 1.00 42.22 H new ATOM 0 HG22 ILE A 82 -3.534 -8.403 -11.484 1.00 42.22 H new ATOM 0 HG23 ILE A 82 -2.328 -7.181 -11.018 1.00 42.22 H new ATOM 0 HD11 ILE A 82 -1.685 -3.683 -12.428 1.00 21.22 H new ATOM 0 HD12 ILE A 82 -1.632 -5.094 -11.344 1.00 21.22 H new ATOM 0 HD13 ILE A 82 -0.932 -5.200 -12.977 1.00 21.22 H new ATOM 1401 N PRO A 83 -1.294 -9.829 -13.401 1.00 3.43 N ATOM 1402 CA PRO A 83 -1.352 -11.314 -13.283 1.00 74.00 C ATOM 1403 C PRO A 83 -1.921 -11.777 -11.913 1.00 23.43 C ATOM 1404 O PRO A 83 -1.396 -12.699 -11.277 1.00 23.05 O ATOM 1405 CB PRO A 83 0.135 -11.709 -13.475 1.00 42.54 C ATOM 1406 CG PRO A 83 0.917 -10.567 -12.897 1.00 71.53 C ATOM 1407 CD PRO A 83 0.078 -9.316 -13.109 1.00 1.44 C ATOM 0 HA PRO A 83 -2.022 -11.784 -14.003 1.00 74.00 H new ATOM 0 HB2 PRO A 83 0.364 -12.644 -12.963 1.00 42.54 H new ATOM 0 HB3 PRO A 83 0.372 -11.856 -14.529 1.00 42.54 H new ATOM 0 HG2 PRO A 83 1.112 -10.728 -11.837 1.00 71.53 H new ATOM 0 HG3 PRO A 83 1.885 -10.472 -13.388 1.00 71.53 H new ATOM 0 HD2 PRO A 83 0.084 -8.680 -12.224 1.00 1.44 H new ATOM 0 HD3 PRO A 83 0.461 -8.717 -13.935 1.00 1.44 H new ATOM 1415 N CYS A 84 -3.029 -11.144 -11.515 1.00 20.21 N ATOM 1416 CA CYS A 84 -3.725 -11.383 -10.243 1.00 65.22 C ATOM 1417 C CYS A 84 -5.218 -11.094 -10.459 1.00 11.43 C ATOM 1418 O CYS A 84 -5.562 -10.156 -11.199 1.00 51.12 O ATOM 1419 CB CYS A 84 -3.143 -10.466 -9.140 1.00 24.52 C ATOM 1420 SG CYS A 84 -4.002 -10.549 -7.553 1.00 73.13 S ATOM 0 H CYS A 84 -3.481 -10.429 -12.085 1.00 20.21 H new ATOM 0 HA CYS A 84 -3.591 -12.416 -9.921 1.00 65.22 H new ATOM 0 HB2 CYS A 84 -2.096 -10.728 -8.985 1.00 24.52 H new ATOM 0 HB3 CYS A 84 -3.164 -9.436 -9.495 1.00 24.52 H new ATOM 0 HG CYS A 84 -3.430 -9.745 -6.707 1.00 73.13 H new ATOM 1426 N GLN A 85 -6.104 -11.908 -9.844 1.00 31.14 N ATOM 1427 CA GLN A 85 -7.574 -11.741 -9.978 1.00 64.12 C ATOM 1428 C GLN A 85 -8.043 -10.407 -9.353 1.00 72.45 C ATOM 1429 O GLN A 85 -9.072 -9.853 -9.754 1.00 51.01 O ATOM 1430 CB GLN A 85 -8.335 -12.949 -9.357 1.00 42.23 C ATOM 1431 CG GLN A 85 -8.125 -13.139 -7.840 1.00 53.14 C ATOM 1432 CD GLN A 85 -8.917 -14.310 -7.245 1.00 64.01 C ATOM 1433 OE1 GLN A 85 -9.999 -14.661 -7.720 1.00 21.05 O ATOM 1434 NE2 GLN A 85 -8.395 -14.914 -6.189 1.00 42.53 N ATOM 0 H GLN A 85 -5.829 -12.689 -9.248 1.00 31.14 H new ATOM 0 HA GLN A 85 -7.809 -11.711 -11.042 1.00 64.12 H new ATOM 0 HB2 GLN A 85 -9.401 -12.826 -9.549 1.00 42.23 H new ATOM 0 HB3 GLN A 85 -8.022 -13.859 -9.869 1.00 42.23 H new ATOM 0 HG2 GLN A 85 -7.064 -13.295 -7.647 1.00 53.14 H new ATOM 0 HG3 GLN A 85 -8.411 -12.221 -7.326 1.00 53.14 H new ATOM 0 HE21 GLN A 85 -7.498 -14.604 -5.816 1.00 42.53 H new ATOM 0 HE22 GLN A 85 -8.890 -15.690 -5.749 1.00 42.53 H new ATOM 1443 N ASN A 86 -7.273 -9.917 -8.364 1.00 74.43 N ATOM 1444 CA ASN A 86 -7.446 -8.577 -7.776 1.00 34.24 C ATOM 1445 C ASN A 86 -6.740 -7.534 -8.655 1.00 32.35 C ATOM 1446 O ASN A 86 -5.671 -7.805 -9.213 1.00 72.02 O ATOM 1447 CB ASN A 86 -6.880 -8.528 -6.330 1.00 23.43 C ATOM 1448 CG ASN A 86 -7.724 -9.280 -5.304 1.00 74.24 C ATOM 1449 OD1 ASN A 86 -8.363 -10.284 -5.616 1.00 20.11 O ATOM 1450 ND2 ASN A 86 -7.736 -8.796 -4.066 1.00 40.04 N ATOM 0 H ASN A 86 -6.506 -10.445 -7.947 1.00 74.43 H new ATOM 0 HA ASN A 86 -8.512 -8.352 -7.730 1.00 34.24 H new ATOM 0 HB2 ASN A 86 -5.873 -8.945 -6.331 1.00 23.43 H new ATOM 0 HB3 ASN A 86 -6.794 -7.487 -6.020 1.00 23.43 H new ATOM 0 HD21 ASN A 86 -8.286 -9.259 -3.343 1.00 40.04 H new ATOM 0 HD22 ASN A 86 -7.195 -7.961 -3.839 1.00 40.04 H new ATOM 1457 N LYS A 87 -7.325 -6.335 -8.732 1.00 24.21 N ATOM 1458 CA LYS A 87 -6.854 -5.260 -9.625 1.00 30.13 C ATOM 1459 C LYS A 87 -6.756 -3.930 -8.842 1.00 20.41 C ATOM 1460 O LYS A 87 -7.300 -3.815 -7.738 1.00 71.21 O ATOM 1461 CB LYS A 87 -7.814 -5.126 -10.845 1.00 53.11 C ATOM 1462 CG LYS A 87 -7.216 -4.338 -12.031 1.00 41.01 C ATOM 1463 CD LYS A 87 -8.265 -3.896 -13.067 1.00 61.11 C ATOM 1464 CE LYS A 87 -7.637 -3.061 -14.184 1.00 30.33 C ATOM 1465 NZ LYS A 87 -8.648 -2.536 -15.131 1.00 60.32 N ATOM 0 H LYS A 87 -8.141 -6.077 -8.177 1.00 24.21 H new ATOM 0 HA LYS A 87 -5.861 -5.507 -10.000 1.00 30.13 H new ATOM 0 HB2 LYS A 87 -8.091 -6.123 -11.187 1.00 53.11 H new ATOM 0 HB3 LYS A 87 -8.731 -4.634 -10.521 1.00 53.11 H new ATOM 0 HG2 LYS A 87 -6.701 -3.457 -11.648 1.00 41.01 H new ATOM 0 HG3 LYS A 87 -6.466 -4.955 -12.526 1.00 41.01 H new ATOM 0 HD2 LYS A 87 -8.746 -4.775 -13.496 1.00 61.11 H new ATOM 0 HD3 LYS A 87 -9.044 -3.316 -12.572 1.00 61.11 H new ATOM 0 HE2 LYS A 87 -7.086 -2.229 -13.746 1.00 30.33 H new ATOM 0 HE3 LYS A 87 -6.915 -3.670 -14.728 1.00 30.33 H new ATOM 0 HZ1 LYS A 87 -8.175 -1.977 -15.869 1.00 60.32 H new ATOM 0 HZ2 LYS A 87 -9.157 -3.329 -15.570 1.00 60.32 H new ATOM 0 HZ3 LYS A 87 -9.323 -1.932 -14.619 1.00 60.32 H new ATOM 1479 N TYR A 88 -6.078 -2.926 -9.453 1.00 22.20 N ATOM 1480 CA TYR A 88 -5.732 -1.645 -8.816 1.00 4.14 C ATOM 1481 C TYR A 88 -4.790 -1.890 -7.617 1.00 34.44 C ATOM 1482 O TYR A 88 -5.223 -1.842 -6.455 1.00 43.34 O ATOM 1483 CB TYR A 88 -6.991 -0.810 -8.422 1.00 32.01 C ATOM 1484 CG TYR A 88 -7.726 -0.147 -9.602 1.00 75.32 C ATOM 1485 CD1 TYR A 88 -8.522 -0.894 -10.475 1.00 51.14 C ATOM 1486 CD2 TYR A 88 -7.635 1.232 -9.828 1.00 23.03 C ATOM 1487 CE1 TYR A 88 -9.197 -0.291 -11.523 1.00 34.21 C ATOM 1488 CE2 TYR A 88 -8.306 1.833 -10.873 1.00 42.44 C ATOM 1489 CZ TYR A 88 -9.087 1.072 -11.718 1.00 4.12 C ATOM 1490 OH TYR A 88 -9.760 1.682 -12.757 1.00 32.51 O ATOM 0 H TYR A 88 -5.754 -2.992 -10.418 1.00 22.20 H new ATOM 0 HA TYR A 88 -5.201 -1.037 -9.549 1.00 4.14 H new ATOM 0 HB2 TYR A 88 -7.690 -1.461 -7.897 1.00 32.01 H new ATOM 0 HB3 TYR A 88 -6.689 -0.034 -7.719 1.00 32.01 H new ATOM 0 HD1 TYR A 88 -8.612 -1.960 -10.330 1.00 51.14 H new ATOM 0 HD2 TYR A 88 -7.028 1.837 -9.171 1.00 23.03 H new ATOM 0 HE1 TYR A 88 -9.808 -0.885 -12.186 1.00 34.21 H new ATOM 0 HE2 TYR A 88 -8.220 2.898 -11.029 1.00 42.44 H new ATOM 0 HH TYR A 88 -9.573 2.644 -12.748 1.00 32.51 H new ATOM 1500 N PRO A 89 -3.488 -2.232 -7.899 1.00 34.15 N ATOM 1501 CA PRO A 89 -2.484 -2.410 -6.842 1.00 2.44 C ATOM 1502 C PRO A 89 -2.098 -1.056 -6.232 1.00 72.11 C ATOM 1503 O PRO A 89 -1.677 -0.148 -6.949 1.00 3.51 O ATOM 1504 CB PRO A 89 -1.291 -3.074 -7.581 1.00 70.13 C ATOM 1505 CG PRO A 89 -1.421 -2.631 -9.012 1.00 14.55 C ATOM 1506 CD PRO A 89 -2.908 -2.470 -9.262 1.00 73.53 C ATOM 0 HA PRO A 89 -2.837 -3.014 -6.006 1.00 2.44 H new ATOM 0 HB2 PRO A 89 -0.339 -2.758 -7.155 1.00 70.13 H new ATOM 0 HB3 PRO A 89 -1.332 -4.160 -7.499 1.00 70.13 H new ATOM 0 HG2 PRO A 89 -0.893 -1.693 -9.180 1.00 14.55 H new ATOM 0 HG3 PRO A 89 -0.988 -3.367 -9.690 1.00 14.55 H new ATOM 0 HD2 PRO A 89 -3.111 -1.635 -9.932 1.00 73.53 H new ATOM 0 HD3 PRO A 89 -3.332 -3.361 -9.725 1.00 73.53 H new ATOM 1514 N PHE A 90 -2.306 -0.897 -4.923 1.00 63.44 N ATOM 1515 CA PHE A 90 -1.807 0.258 -4.181 1.00 72.02 C ATOM 1516 C PHE A 90 -0.531 -0.164 -3.445 1.00 3.21 C ATOM 1517 O PHE A 90 -0.436 -1.291 -2.937 1.00 12.01 O ATOM 1518 CB PHE A 90 -2.888 0.840 -3.221 1.00 40.25 C ATOM 1519 CG PHE A 90 -3.451 -0.133 -2.174 1.00 14.50 C ATOM 1520 CD1 PHE A 90 -4.535 -0.968 -2.476 1.00 34.21 C ATOM 1521 CD2 PHE A 90 -2.905 -0.204 -0.884 1.00 73.14 C ATOM 1522 CE1 PHE A 90 -5.049 -1.834 -1.529 1.00 2.13 C ATOM 1523 CE2 PHE A 90 -3.422 -1.073 0.057 1.00 53.30 C ATOM 1524 CZ PHE A 90 -4.491 -1.884 -0.265 1.00 15.03 C ATOM 0 H PHE A 90 -2.824 -1.564 -4.351 1.00 63.44 H new ATOM 0 HA PHE A 90 -1.570 1.069 -4.870 1.00 72.02 H new ATOM 0 HB2 PHE A 90 -2.460 1.696 -2.700 1.00 40.25 H new ATOM 0 HB3 PHE A 90 -3.716 1.215 -3.823 1.00 40.25 H new ATOM 0 HD1 PHE A 90 -4.975 -0.935 -3.462 1.00 34.21 H new ATOM 0 HD2 PHE A 90 -2.070 0.429 -0.623 1.00 73.14 H new ATOM 0 HE1 PHE A 90 -5.886 -2.471 -1.776 1.00 2.13 H new ATOM 0 HE2 PHE A 90 -2.989 -1.118 1.045 1.00 53.30 H new ATOM 0 HZ PHE A 90 -4.894 -2.561 0.474 1.00 15.03 H new ATOM 1534 N GLN A 91 0.445 0.739 -3.411 1.00 64.53 N ATOM 1535 CA GLN A 91 1.749 0.488 -2.798 1.00 25.05 C ATOM 1536 C GLN A 91 1.846 1.291 -1.494 1.00 40.03 C ATOM 1537 O GLN A 91 1.350 2.427 -1.404 1.00 43.45 O ATOM 1538 CB GLN A 91 2.908 0.853 -3.773 1.00 72.15 C ATOM 1539 CG GLN A 91 2.987 2.346 -4.173 1.00 72.43 C ATOM 1540 CD GLN A 91 4.244 2.717 -4.966 1.00 32.34 C ATOM 1541 OE1 GLN A 91 4.807 1.907 -5.701 1.00 35.13 O ATOM 1542 NE2 GLN A 91 4.698 3.951 -4.812 1.00 74.14 N ATOM 0 H GLN A 91 0.354 1.673 -3.811 1.00 64.53 H new ATOM 0 HA GLN A 91 1.846 -0.575 -2.575 1.00 25.05 H new ATOM 0 HB2 GLN A 91 3.853 0.566 -3.312 1.00 72.15 H new ATOM 0 HB3 GLN A 91 2.801 0.256 -4.679 1.00 72.15 H new ATOM 0 HG2 GLN A 91 2.109 2.599 -4.767 1.00 72.43 H new ATOM 0 HG3 GLN A 91 2.947 2.955 -3.270 1.00 72.43 H new ATOM 0 HE21 GLN A 91 4.210 4.601 -4.196 1.00 74.14 H new ATOM 0 HE22 GLN A 91 5.536 4.252 -5.310 1.00 74.14 H new ATOM 1551 N VAL A 92 2.472 0.682 -0.487 1.00 73.12 N ATOM 1552 CA VAL A 92 2.716 1.304 0.809 1.00 42.55 C ATOM 1553 C VAL A 92 4.232 1.441 0.963 1.00 4.43 C ATOM 1554 O VAL A 92 4.925 0.456 1.263 1.00 31.41 O ATOM 1555 CB VAL A 92 2.109 0.455 1.995 1.00 24.34 C ATOM 1556 CG1 VAL A 92 2.370 1.141 3.356 1.00 4.23 C ATOM 1557 CG2 VAL A 92 0.596 0.198 1.780 1.00 21.45 C ATOM 0 H VAL A 92 2.828 -0.272 -0.552 1.00 73.12 H new ATOM 0 HA VAL A 92 2.227 2.277 0.851 1.00 42.55 H new ATOM 0 HB VAL A 92 2.611 -0.512 2.006 1.00 24.34 H new ATOM 0 HG11 VAL A 92 1.942 0.537 4.156 1.00 4.23 H new ATOM 0 HG12 VAL A 92 3.444 1.242 3.512 1.00 4.23 H new ATOM 0 HG13 VAL A 92 1.908 2.128 3.360 1.00 4.23 H new ATOM 0 HG21 VAL A 92 0.205 -0.388 2.611 1.00 21.45 H new ATOM 0 HG22 VAL A 92 0.069 1.151 1.728 1.00 21.45 H new ATOM 0 HG23 VAL A 92 0.449 -0.349 0.849 1.00 21.45 H new ATOM 1567 N VAL A 93 4.744 2.653 0.705 1.00 3.34 N ATOM 1568 CA VAL A 93 6.170 2.964 0.808 1.00 5.24 C ATOM 1569 C VAL A 93 6.472 3.371 2.255 1.00 42.51 C ATOM 1570 O VAL A 93 5.833 4.282 2.796 1.00 32.33 O ATOM 1571 CB VAL A 93 6.590 4.129 -0.172 1.00 12.25 C ATOM 1572 CG1 VAL A 93 8.126 4.333 -0.176 1.00 44.02 C ATOM 1573 CG2 VAL A 93 6.046 3.894 -1.603 1.00 13.04 C ATOM 0 H VAL A 93 4.173 3.448 0.417 1.00 3.34 H new ATOM 0 HA VAL A 93 6.742 2.080 0.525 1.00 5.24 H new ATOM 0 HB VAL A 93 6.136 5.048 0.199 1.00 12.25 H new ATOM 0 HG11 VAL A 93 8.384 5.142 -0.860 1.00 44.02 H new ATOM 0 HG12 VAL A 93 8.462 4.587 0.829 1.00 44.02 H new ATOM 0 HG13 VAL A 93 8.614 3.414 -0.500 1.00 44.02 H new ATOM 0 HG21 VAL A 93 6.355 4.716 -2.249 1.00 13.04 H new ATOM 0 HG22 VAL A 93 6.442 2.957 -1.993 1.00 13.04 H new ATOM 0 HG23 VAL A 93 4.958 3.844 -1.575 1.00 13.04 H new ATOM 1583 N HIS A 94 7.437 2.689 2.868 1.00 43.02 N ATOM 1584 CA HIS A 94 7.873 2.952 4.250 1.00 74.31 C ATOM 1585 C HIS A 94 9.411 2.886 4.336 1.00 54.04 C ATOM 1586 O HIS A 94 10.081 2.527 3.361 1.00 24.44 O ATOM 1587 CB HIS A 94 7.172 1.987 5.262 1.00 74.14 C ATOM 1588 CG HIS A 94 7.259 0.513 4.940 1.00 21.34 C ATOM 1589 ND1 HIS A 94 8.040 -0.374 5.651 1.00 52.11 N ATOM 1590 CD2 HIS A 94 6.624 -0.232 3.996 1.00 2.53 C ATOM 1591 CE1 HIS A 94 7.880 -1.584 5.163 1.00 14.13 C ATOM 1592 NE2 HIS A 94 7.035 -1.530 4.154 1.00 14.31 N ATOM 0 H HIS A 94 7.948 1.928 2.420 1.00 43.02 H new ATOM 0 HA HIS A 94 7.568 3.960 4.533 1.00 74.31 H new ATOM 0 HB2 HIS A 94 7.606 2.149 6.249 1.00 74.14 H new ATOM 0 HB3 HIS A 94 6.120 2.263 5.327 1.00 74.14 H new ATOM 0 HD2 HIS A 94 5.925 0.132 3.258 1.00 2.53 H new ATOM 0 HE1 HIS A 94 8.363 -2.478 5.530 1.00 14.13 H new ATOM 0 HE2 HIS A 94 6.736 -2.322 3.585 1.00 14.31 H new ATOM 1601 N ASP A 95 9.939 3.228 5.522 1.00 2.53 N ATOM 1602 CA ASP A 95 11.390 3.424 5.783 1.00 3.22 C ATOM 1603 C ASP A 95 12.248 2.167 5.473 1.00 64.31 C ATOM 1604 O ASP A 95 13.425 2.285 5.113 1.00 33.45 O ATOM 1605 CB ASP A 95 11.543 3.870 7.265 1.00 2.02 C ATOM 1606 CG ASP A 95 12.994 4.067 7.755 1.00 42.52 C ATOM 1607 OD1 ASP A 95 13.734 4.869 7.150 1.00 51.35 O ATOM 1608 OD2 ASP A 95 13.375 3.466 8.791 1.00 4.22 O ATOM 0 H ASP A 95 9.364 3.381 6.350 1.00 2.53 H new ATOM 0 HA ASP A 95 11.770 4.190 5.107 1.00 3.22 H new ATOM 0 HB2 ASP A 95 11.002 4.806 7.402 1.00 2.02 H new ATOM 0 HB3 ASP A 95 11.061 3.127 7.901 1.00 2.02 H new ATOM 1613 N ALA A 96 11.643 0.975 5.603 1.00 20.40 N ATOM 1614 CA ALA A 96 12.336 -0.307 5.371 1.00 14.10 C ATOM 1615 C ALA A 96 12.305 -0.721 3.885 1.00 41.21 C ATOM 1616 O ALA A 96 13.339 -1.101 3.316 1.00 20.13 O ATOM 1617 CB ALA A 96 11.714 -1.401 6.243 1.00 65.15 C ATOM 0 H ALA A 96 10.664 0.871 5.871 1.00 20.40 H new ATOM 0 HA ALA A 96 13.382 -0.174 5.647 1.00 14.10 H new ATOM 0 HB1 ALA A 96 12.230 -2.345 6.067 1.00 65.15 H new ATOM 0 HB2 ALA A 96 11.809 -1.127 7.294 1.00 65.15 H new ATOM 0 HB3 ALA A 96 10.659 -1.512 5.990 1.00 65.15 H new ATOM 1623 N ASN A 97 11.109 -0.631 3.273 1.00 44.43 N ATOM 1624 CA ASN A 97 10.838 -1.130 1.899 1.00 44.13 C ATOM 1625 C ASN A 97 9.484 -0.590 1.394 1.00 22.43 C ATOM 1626 O ASN A 97 8.878 0.259 2.039 1.00 53.23 O ATOM 1627 CB ASN A 97 10.836 -2.694 1.866 1.00 71.34 C ATOM 1628 CG ASN A 97 9.801 -3.330 2.808 1.00 52.44 C ATOM 1629 OD1 ASN A 97 8.629 -3.497 2.462 1.00 21.31 O ATOM 1630 ND2 ASN A 97 10.221 -3.682 4.012 1.00 0.52 N ATOM 0 H ASN A 97 10.294 -0.208 3.716 1.00 44.43 H new ATOM 0 HA ASN A 97 11.632 -0.772 1.243 1.00 44.13 H new ATOM 0 HB2 ASN A 97 10.640 -3.027 0.847 1.00 71.34 H new ATOM 0 HB3 ASN A 97 11.829 -3.056 2.134 1.00 71.34 H new ATOM 0 HD21 ASN A 97 9.571 -4.101 4.677 1.00 0.52 H new ATOM 0 HD22 ASN A 97 11.195 -3.534 4.276 1.00 0.52 H new ATOM 1637 N THR A 98 9.026 -1.092 0.233 1.00 60.30 N ATOM 1638 CA THR A 98 7.669 -0.840 -0.288 1.00 55.15 C ATOM 1639 C THR A 98 6.931 -2.184 -0.428 1.00 42.41 C ATOM 1640 O THR A 98 7.544 -3.185 -0.807 1.00 30.03 O ATOM 1641 CB THR A 98 7.731 -0.101 -1.668 1.00 60.52 C ATOM 1642 OG1 THR A 98 8.427 1.144 -1.502 1.00 44.44 O ATOM 1643 CG2 THR A 98 6.338 0.176 -2.269 1.00 41.42 C ATOM 0 H THR A 98 9.590 -1.687 -0.374 1.00 60.30 H new ATOM 0 HA THR A 98 7.129 -0.197 0.407 1.00 55.15 H new ATOM 0 HB THR A 98 8.255 -0.758 -2.362 1.00 60.52 H new ATOM 0 HG1 THR A 98 9.348 1.050 -1.824 1.00 44.44 H new ATOM 0 HG21 THR A 98 6.449 0.690 -3.224 1.00 41.42 H new ATOM 0 HG22 THR A 98 5.814 -0.767 -2.423 1.00 41.42 H new ATOM 0 HG23 THR A 98 5.765 0.802 -1.585 1.00 41.42 H new ATOM 1651 N LEU A 99 5.624 -2.210 -0.111 1.00 44.32 N ATOM 1652 CA LEU A 99 4.786 -3.423 -0.243 1.00 62.42 C ATOM 1653 C LEU A 99 3.679 -3.172 -1.282 1.00 41.31 C ATOM 1654 O LEU A 99 2.996 -2.150 -1.224 1.00 61.15 O ATOM 1655 CB LEU A 99 4.161 -3.830 1.120 1.00 3.54 C ATOM 1656 CG LEU A 99 3.302 -5.144 1.106 1.00 72.23 C ATOM 1657 CD1 LEU A 99 4.154 -6.366 0.702 1.00 30.52 C ATOM 1658 CD2 LEU A 99 2.581 -5.372 2.455 1.00 23.03 C ATOM 0 H LEU A 99 5.118 -1.398 0.242 1.00 44.32 H new ATOM 0 HA LEU A 99 5.420 -4.245 -0.575 1.00 62.42 H new ATOM 0 HB2 LEU A 99 4.965 -3.950 1.847 1.00 3.54 H new ATOM 0 HB3 LEU A 99 3.534 -3.011 1.471 1.00 3.54 H new ATOM 0 HG LEU A 99 2.528 -5.019 0.349 1.00 72.23 H new ATOM 0 HD11 LEU A 99 3.531 -7.260 0.702 1.00 30.52 H new ATOM 0 HD12 LEU A 99 4.565 -6.210 -0.296 1.00 30.52 H new ATOM 0 HD13 LEU A 99 4.969 -6.492 1.414 1.00 30.52 H new ATOM 0 HD21 LEU A 99 1.997 -6.291 2.405 1.00 23.03 H new ATOM 0 HD22 LEU A 99 3.319 -5.454 3.253 1.00 23.03 H new ATOM 0 HD23 LEU A 99 1.918 -4.532 2.660 1.00 23.03 H new ATOM 1670 N TYR A 100 3.512 -4.119 -2.222 1.00 23.22 N ATOM 1671 CA TYR A 100 2.518 -4.029 -3.305 1.00 15.34 C ATOM 1672 C TYR A 100 1.316 -4.916 -2.975 1.00 42.25 C ATOM 1673 O TYR A 100 1.436 -6.147 -2.906 1.00 62.34 O ATOM 1674 CB TYR A 100 3.176 -4.412 -4.658 1.00 2.52 C ATOM 1675 CG TYR A 100 4.184 -3.348 -5.118 1.00 15.14 C ATOM 1676 CD1 TYR A 100 5.499 -3.331 -4.643 1.00 62.42 C ATOM 1677 CD2 TYR A 100 3.799 -2.324 -5.978 1.00 41.33 C ATOM 1678 CE1 TYR A 100 6.385 -2.340 -5.018 1.00 50.32 C ATOM 1679 CE2 TYR A 100 4.680 -1.328 -6.348 1.00 30.13 C ATOM 1680 CZ TYR A 100 5.966 -1.340 -5.867 1.00 60.33 C ATOM 1681 OH TYR A 100 6.833 -0.332 -6.223 1.00 22.15 O ATOM 0 H TYR A 100 4.067 -4.974 -2.251 1.00 23.22 H new ATOM 0 HA TYR A 100 2.157 -3.005 -3.397 1.00 15.34 H new ATOM 0 HB2 TYR A 100 3.681 -5.373 -4.559 1.00 2.52 H new ATOM 0 HB3 TYR A 100 2.403 -4.534 -5.417 1.00 2.52 H new ATOM 0 HD1 TYR A 100 5.828 -4.108 -3.969 1.00 62.42 H new ATOM 0 HD2 TYR A 100 2.790 -2.308 -6.364 1.00 41.33 H new ATOM 0 HE1 TYR A 100 7.400 -2.349 -4.648 1.00 50.32 H new ATOM 0 HE2 TYR A 100 4.359 -0.541 -7.014 1.00 30.13 H new ATOM 0 HH TYR A 100 6.388 0.535 -6.118 1.00 22.15 H new ATOM 1691 N ILE A 101 0.170 -4.260 -2.729 1.00 5.41 N ATOM 1692 CA ILE A 101 -1.078 -4.899 -2.294 1.00 64.33 C ATOM 1693 C ILE A 101 -2.172 -4.654 -3.360 1.00 14.10 C ATOM 1694 O ILE A 101 -2.324 -3.538 -3.844 1.00 32.51 O ATOM 1695 CB ILE A 101 -1.559 -4.317 -0.907 1.00 62.02 C ATOM 1696 CG1 ILE A 101 -0.384 -4.215 0.123 1.00 11.35 C ATOM 1697 CG2 ILE A 101 -2.709 -5.174 -0.334 1.00 21.54 C ATOM 1698 CD1 ILE A 101 -0.737 -3.502 1.423 1.00 2.34 C ATOM 0 H ILE A 101 0.086 -3.248 -2.830 1.00 5.41 H new ATOM 0 HA ILE A 101 -0.899 -5.968 -2.175 1.00 64.33 H new ATOM 0 HB ILE A 101 -1.925 -3.306 -1.084 1.00 62.02 H new ATOM 0 HG12 ILE A 101 -0.037 -5.221 0.359 1.00 11.35 H new ATOM 0 HG13 ILE A 101 0.449 -3.693 -0.347 1.00 11.35 H new ATOM 0 HG21 ILE A 101 -3.030 -4.760 0.622 1.00 21.54 H new ATOM 0 HG22 ILE A 101 -3.547 -5.170 -1.030 1.00 21.54 H new ATOM 0 HG23 ILE A 101 -2.363 -6.197 -0.189 1.00 21.54 H new ATOM 0 HD11 ILE A 101 0.137 -3.479 2.074 1.00 2.34 H new ATOM 0 HD12 ILE A 101 -1.053 -2.482 1.204 1.00 2.34 H new ATOM 0 HD13 ILE A 101 -1.547 -4.034 1.921 1.00 2.34 H new ATOM 1710 N PHE A 102 -2.934 -5.704 -3.687 1.00 70.44 N ATOM 1711 CA PHE A 102 -3.942 -5.710 -4.762 1.00 63.42 C ATOM 1712 C PHE A 102 -5.340 -5.805 -4.131 1.00 23.02 C ATOM 1713 O PHE A 102 -5.608 -6.739 -3.364 1.00 33.13 O ATOM 1714 CB PHE A 102 -3.694 -6.926 -5.712 1.00 63.30 C ATOM 1715 CG PHE A 102 -2.356 -6.900 -6.468 1.00 55.35 C ATOM 1716 CD1 PHE A 102 -1.139 -7.067 -5.793 1.00 51.00 C ATOM 1717 CD2 PHE A 102 -2.314 -6.697 -7.851 1.00 31.20 C ATOM 1718 CE1 PHE A 102 0.064 -7.026 -6.472 1.00 22.03 C ATOM 1719 CE2 PHE A 102 -1.106 -6.658 -8.528 1.00 53.03 C ATOM 1720 CZ PHE A 102 0.081 -6.822 -7.839 1.00 34.11 C ATOM 0 H PHE A 102 -2.868 -6.598 -3.201 1.00 70.44 H new ATOM 0 HA PHE A 102 -3.868 -4.793 -5.346 1.00 63.42 H new ATOM 0 HB2 PHE A 102 -3.744 -7.843 -5.124 1.00 63.30 H new ATOM 0 HB3 PHE A 102 -4.504 -6.970 -6.440 1.00 63.30 H new ATOM 0 HD1 PHE A 102 -1.141 -7.230 -4.725 1.00 51.00 H new ATOM 0 HD2 PHE A 102 -3.236 -6.569 -8.399 1.00 31.20 H new ATOM 0 HE1 PHE A 102 0.992 -7.153 -5.934 1.00 22.03 H new ATOM 0 HE2 PHE A 102 -1.092 -6.499 -9.596 1.00 53.03 H new ATOM 0 HZ PHE A 102 1.022 -6.791 -8.369 1.00 34.11 H new ATOM 1730 N ALA A 103 -6.213 -4.836 -4.437 1.00 65.50 N ATOM 1731 CA ALA A 103 -7.590 -4.789 -3.903 1.00 1.41 C ATOM 1732 C ALA A 103 -8.569 -5.568 -4.807 1.00 52.14 C ATOM 1733 O ALA A 103 -8.341 -5.642 -6.015 1.00 33.35 O ATOM 1734 CB ALA A 103 -8.032 -3.329 -3.757 1.00 14.10 C ATOM 0 H ALA A 103 -5.989 -4.061 -5.061 1.00 65.50 H new ATOM 0 HA ALA A 103 -7.601 -5.268 -2.924 1.00 1.41 H new ATOM 0 HB1 ALA A 103 -9.048 -3.294 -3.363 1.00 14.10 H new ATOM 0 HB2 ALA A 103 -7.359 -2.812 -3.073 1.00 14.10 H new ATOM 0 HB3 ALA A 103 -8.004 -2.841 -4.731 1.00 14.10 H new ATOM 1740 N PRO A 104 -9.673 -6.177 -4.240 1.00 45.43 N ATOM 1741 CA PRO A 104 -10.700 -6.885 -5.056 1.00 23.50 C ATOM 1742 C PRO A 104 -11.370 -5.958 -6.094 1.00 75.32 C ATOM 1743 O PRO A 104 -11.716 -6.388 -7.199 1.00 45.43 O ATOM 1744 CB PRO A 104 -11.728 -7.388 -4.003 1.00 30.31 C ATOM 1745 CG PRO A 104 -10.974 -7.402 -2.707 1.00 2.13 C ATOM 1746 CD PRO A 104 -10.001 -6.247 -2.787 1.00 30.32 C ATOM 0 HA PRO A 104 -10.265 -7.690 -5.648 1.00 23.50 H new ATOM 0 HB2 PRO A 104 -12.594 -6.728 -3.949 1.00 30.31 H new ATOM 0 HB3 PRO A 104 -12.099 -8.381 -4.256 1.00 30.31 H new ATOM 0 HG2 PRO A 104 -11.650 -7.287 -1.860 1.00 2.13 H new ATOM 0 HG3 PRO A 104 -10.449 -8.347 -2.570 1.00 2.13 H new ATOM 0 HD2 PRO A 104 -10.448 -5.319 -2.430 1.00 30.32 H new ATOM 0 HD3 PRO A 104 -9.112 -6.427 -2.182 1.00 30.32 H new ATOM 1754 N SER A 105 -11.524 -4.676 -5.717 1.00 23.04 N ATOM 1755 CA SER A 105 -12.176 -3.650 -6.552 1.00 75.12 C ATOM 1756 C SER A 105 -11.503 -2.266 -6.323 1.00 3.42 C ATOM 1757 O SER A 105 -10.920 -2.037 -5.254 1.00 34.11 O ATOM 1758 CB SER A 105 -13.686 -3.581 -6.204 1.00 74.53 C ATOM 1759 OG SER A 105 -14.326 -4.836 -6.361 1.00 14.04 O ATOM 0 H SER A 105 -11.198 -4.320 -4.819 1.00 23.04 H new ATOM 0 HA SER A 105 -12.065 -3.917 -7.603 1.00 75.12 H new ATOM 0 HB2 SER A 105 -13.806 -3.239 -5.176 1.00 74.53 H new ATOM 0 HB3 SER A 105 -14.172 -2.844 -6.843 1.00 74.53 H new ATOM 0 HG SER A 105 -15.275 -4.751 -6.131 1.00 14.04 H new ATOM 1765 N PRO A 106 -11.596 -1.307 -7.314 1.00 64.02 N ATOM 1766 CA PRO A 106 -11.100 0.095 -7.152 1.00 25.44 C ATOM 1767 C PRO A 106 -11.791 0.886 -6.016 1.00 64.12 C ATOM 1768 O PRO A 106 -11.295 1.935 -5.612 1.00 35.54 O ATOM 1769 CB PRO A 106 -11.388 0.751 -8.533 1.00 34.05 C ATOM 1770 CG PRO A 106 -12.447 -0.113 -9.147 1.00 20.15 C ATOM 1771 CD PRO A 106 -12.130 -1.518 -8.689 1.00 51.30 C ATOM 0 HA PRO A 106 -10.048 0.100 -6.866 1.00 25.44 H new ATOM 0 HB2 PRO A 106 -11.731 1.779 -8.420 1.00 34.05 H new ATOM 0 HB3 PRO A 106 -10.492 0.781 -9.153 1.00 34.05 H new ATOM 0 HG2 PRO A 106 -13.441 0.192 -8.821 1.00 20.15 H new ATOM 0 HG3 PRO A 106 -12.432 -0.041 -10.235 1.00 20.15 H new ATOM 0 HD2 PRO A 106 -13.017 -2.152 -8.685 1.00 51.30 H new ATOM 0 HD3 PRO A 106 -11.398 -1.999 -9.338 1.00 51.30 H new ATOM 1779 N GLN A 107 -12.901 0.351 -5.486 1.00 63.31 N ATOM 1780 CA GLN A 107 -13.680 1.011 -4.422 1.00 43.01 C ATOM 1781 C GLN A 107 -13.026 0.693 -3.063 1.00 65.14 C ATOM 1782 O GLN A 107 -12.909 1.566 -2.190 1.00 51.01 O ATOM 1783 CB GLN A 107 -15.159 0.547 -4.470 1.00 25.43 C ATOM 1784 CG GLN A 107 -15.853 0.781 -5.831 1.00 4.43 C ATOM 1785 CD GLN A 107 -17.312 0.313 -5.846 1.00 60.03 C ATOM 1786 OE1 GLN A 107 -18.227 1.072 -5.518 1.00 0.10 O ATOM 1787 NE2 GLN A 107 -17.540 -0.946 -6.211 1.00 5.44 N ATOM 0 H GLN A 107 -13.285 -0.547 -5.780 1.00 63.31 H new ATOM 0 HA GLN A 107 -13.679 2.091 -4.568 1.00 43.01 H new ATOM 0 HB2 GLN A 107 -15.203 -0.516 -4.231 1.00 25.43 H new ATOM 0 HB3 GLN A 107 -15.718 1.072 -3.695 1.00 25.43 H new ATOM 0 HG2 GLN A 107 -15.815 1.843 -6.074 1.00 4.43 H new ATOM 0 HG3 GLN A 107 -15.300 0.255 -6.610 1.00 4.43 H new ATOM 0 HE21 GLN A 107 -16.761 -1.549 -6.477 1.00 5.44 H new ATOM 0 HE22 GLN A 107 -18.493 -1.308 -6.225 1.00 5.44 H new ATOM 1796 N SER A 108 -12.584 -0.579 -2.926 1.00 40.41 N ATOM 1797 CA SER A 108 -11.757 -1.045 -1.806 1.00 53.03 C ATOM 1798 C SER A 108 -10.399 -0.312 -1.815 1.00 74.22 C ATOM 1799 O SER A 108 -9.999 0.255 -0.802 1.00 51.43 O ATOM 1800 CB SER A 108 -11.563 -2.582 -1.897 1.00 11.34 C ATOM 1801 OG SER A 108 -10.713 -3.071 -0.869 1.00 64.22 O ATOM 0 H SER A 108 -12.798 -1.313 -3.601 1.00 40.41 H new ATOM 0 HA SER A 108 -12.259 -0.820 -0.865 1.00 53.03 H new ATOM 0 HB2 SER A 108 -12.533 -3.075 -1.831 1.00 11.34 H new ATOM 0 HB3 SER A 108 -11.141 -2.838 -2.869 1.00 11.34 H new ATOM 0 HG SER A 108 -9.932 -3.506 -1.270 1.00 64.22 H new ATOM 1807 N ARG A 109 -9.728 -0.313 -2.992 1.00 63.23 N ATOM 1808 CA ARG A 109 -8.430 0.371 -3.223 1.00 1.43 C ATOM 1809 C ARG A 109 -8.479 1.860 -2.821 1.00 12.35 C ATOM 1810 O ARG A 109 -7.570 2.350 -2.146 1.00 2.02 O ATOM 1811 CB ARG A 109 -7.982 0.159 -4.728 1.00 3.21 C ATOM 1812 CG ARG A 109 -7.186 1.312 -5.418 1.00 12.14 C ATOM 1813 CD ARG A 109 -8.097 2.289 -6.217 1.00 43.54 C ATOM 1814 NE ARG A 109 -7.373 3.457 -6.749 1.00 22.20 N ATOM 1815 CZ ARG A 109 -7.847 4.714 -6.783 1.00 52.43 C ATOM 1816 NH1 ARG A 109 -9.063 4.997 -6.327 1.00 12.13 N ATOM 1817 NH2 ARG A 109 -7.096 5.695 -7.260 1.00 74.44 N ATOM 0 H ARG A 109 -10.077 -0.795 -3.820 1.00 63.23 H new ATOM 0 HA ARG A 109 -7.676 -0.078 -2.577 1.00 1.43 H new ATOM 0 HB2 ARG A 109 -7.372 -0.743 -4.772 1.00 3.21 H new ATOM 0 HB3 ARG A 109 -8.877 -0.032 -5.320 1.00 3.21 H new ATOM 0 HG2 ARG A 109 -6.639 1.872 -4.660 1.00 12.14 H new ATOM 0 HG3 ARG A 109 -6.445 0.882 -6.092 1.00 12.14 H new ATOM 0 HD2 ARG A 109 -8.560 1.750 -7.043 1.00 43.54 H new ATOM 0 HD3 ARG A 109 -8.904 2.634 -5.570 1.00 43.54 H new ATOM 0 HE ARG A 109 -6.437 3.299 -7.121 1.00 22.20 H new ATOM 0 HH11 ARG A 109 -9.650 4.255 -5.945 1.00 12.13 H new ATOM 0 HH12 ARG A 109 -9.409 5.956 -6.359 1.00 12.13 H new ATOM 0 HH21 ARG A 109 -6.156 5.497 -7.603 1.00 74.44 H new ATOM 0 HH22 ARG A 109 -7.458 6.648 -7.285 1.00 74.44 H new ATOM 1831 N ASP A 110 -9.561 2.547 -3.225 1.00 54.02 N ATOM 1832 CA ASP A 110 -9.752 3.987 -2.973 1.00 51.34 C ATOM 1833 C ASP A 110 -9.864 4.244 -1.463 1.00 3.02 C ATOM 1834 O ASP A 110 -9.250 5.179 -0.935 1.00 55.14 O ATOM 1835 CB ASP A 110 -11.022 4.503 -3.709 1.00 74.13 C ATOM 1836 CG ASP A 110 -11.162 6.038 -3.671 1.00 71.24 C ATOM 1837 OD1 ASP A 110 -11.650 6.583 -2.656 1.00 51.01 O ATOM 1838 OD2 ASP A 110 -10.783 6.707 -4.659 1.00 72.45 O ATOM 0 H ASP A 110 -10.331 2.118 -3.738 1.00 54.02 H new ATOM 0 HA ASP A 110 -8.889 4.530 -3.358 1.00 51.34 H new ATOM 0 HB2 ASP A 110 -10.992 4.173 -4.747 1.00 74.13 H new ATOM 0 HB3 ASP A 110 -11.905 4.052 -3.256 1.00 74.13 H new ATOM 1843 N LEU A 111 -10.633 3.365 -0.790 1.00 53.13 N ATOM 1844 CA LEU A 111 -10.879 3.450 0.650 1.00 31.13 C ATOM 1845 C LEU A 111 -9.566 3.257 1.434 1.00 10.33 C ATOM 1846 O LEU A 111 -9.286 4.023 2.342 1.00 63.24 O ATOM 1847 CB LEU A 111 -11.934 2.404 1.098 1.00 74.54 C ATOM 1848 CG LEU A 111 -12.430 2.540 2.575 1.00 61.05 C ATOM 1849 CD1 LEU A 111 -13.122 3.899 2.809 1.00 45.13 C ATOM 1850 CD2 LEU A 111 -13.346 1.366 2.970 1.00 21.14 C ATOM 0 H LEU A 111 -11.099 2.576 -1.238 1.00 53.13 H new ATOM 0 HA LEU A 111 -11.273 4.443 0.866 1.00 31.13 H new ATOM 0 HB2 LEU A 111 -12.796 2.476 0.435 1.00 74.54 H new ATOM 0 HB3 LEU A 111 -11.512 1.408 0.965 1.00 74.54 H new ATOM 0 HG LEU A 111 -11.554 2.502 3.222 1.00 61.05 H new ATOM 0 HD11 LEU A 111 -13.456 3.964 3.845 1.00 45.13 H new ATOM 0 HD12 LEU A 111 -12.418 4.706 2.603 1.00 45.13 H new ATOM 0 HD13 LEU A 111 -13.981 3.989 2.145 1.00 45.13 H new ATOM 0 HD21 LEU A 111 -13.673 1.491 4.002 1.00 21.14 H new ATOM 0 HD22 LEU A 111 -14.216 1.346 2.313 1.00 21.14 H new ATOM 0 HD23 LEU A 111 -12.798 0.429 2.874 1.00 21.14 H new ATOM 1862 N TRP A 112 -8.777 2.232 1.052 1.00 22.53 N ATOM 1863 CA TRP A 112 -7.460 1.940 1.659 1.00 51.42 C ATOM 1864 C TRP A 112 -6.475 3.119 1.526 1.00 40.22 C ATOM 1865 O TRP A 112 -5.809 3.467 2.504 1.00 72.03 O ATOM 1866 CB TRP A 112 -6.852 0.637 1.064 1.00 44.13 C ATOM 1867 CG TRP A 112 -7.391 -0.618 1.717 1.00 20.05 C ATOM 1868 CD1 TRP A 112 -8.430 -1.404 1.304 1.00 64.22 C ATOM 1869 CD2 TRP A 112 -6.904 -1.210 2.933 1.00 70.54 C ATOM 1870 NE1 TRP A 112 -8.628 -2.426 2.194 1.00 30.33 N ATOM 1871 CE2 TRP A 112 -7.701 -2.334 3.200 1.00 42.51 C ATOM 1872 CE3 TRP A 112 -5.871 -0.889 3.819 1.00 1.41 C ATOM 1873 CZ2 TRP A 112 -7.502 -3.141 4.319 1.00 31.53 C ATOM 1874 CZ3 TRP A 112 -5.672 -1.692 4.920 1.00 14.53 C ATOM 1875 CH2 TRP A 112 -6.482 -2.807 5.165 1.00 12.32 C ATOM 0 H TRP A 112 -9.035 1.580 0.311 1.00 22.53 H new ATOM 0 HA TRP A 112 -7.629 1.789 2.725 1.00 51.42 H new ATOM 0 HB2 TRP A 112 -7.059 0.601 -0.006 1.00 44.13 H new ATOM 0 HB3 TRP A 112 -5.768 0.663 1.178 1.00 44.13 H new ATOM 0 HD1 TRP A 112 -9.010 -1.243 0.407 1.00 64.22 H new ATOM 0 HE1 TRP A 112 -9.351 -3.142 2.120 1.00 30.33 H new ATOM 0 HE3 TRP A 112 -5.242 -0.029 3.643 1.00 1.41 H new ATOM 0 HZ2 TRP A 112 -8.130 -3.998 4.510 1.00 31.53 H new ATOM 0 HZ3 TRP A 112 -4.874 -1.456 5.609 1.00 14.53 H new ATOM 0 HH2 TRP A 112 -6.297 -3.415 6.039 1.00 12.32 H new ATOM 1886 N VAL A 113 -6.398 3.732 0.326 1.00 35.23 N ATOM 1887 CA VAL A 113 -5.513 4.894 0.079 1.00 41.32 C ATOM 1888 C VAL A 113 -5.917 6.085 0.980 1.00 60.32 C ATOM 1889 O VAL A 113 -5.050 6.777 1.515 1.00 21.35 O ATOM 1890 CB VAL A 113 -5.507 5.310 -1.445 1.00 4.25 C ATOM 1891 CG1 VAL A 113 -4.681 6.600 -1.705 1.00 14.12 C ATOM 1892 CG2 VAL A 113 -4.981 4.147 -2.324 1.00 24.34 C ATOM 0 H VAL A 113 -6.938 3.442 -0.489 1.00 35.23 H new ATOM 0 HA VAL A 113 -4.496 4.598 0.336 1.00 41.32 H new ATOM 0 HB VAL A 113 -6.539 5.528 -1.719 1.00 4.25 H new ATOM 0 HG11 VAL A 113 -4.709 6.842 -2.767 1.00 14.12 H new ATOM 0 HG12 VAL A 113 -5.106 7.425 -1.133 1.00 14.12 H new ATOM 0 HG13 VAL A 113 -3.648 6.439 -1.397 1.00 14.12 H new ATOM 0 HG21 VAL A 113 -4.984 4.452 -3.371 1.00 24.34 H new ATOM 0 HG22 VAL A 113 -3.964 3.894 -2.023 1.00 24.34 H new ATOM 0 HG23 VAL A 113 -5.624 3.276 -2.198 1.00 24.34 H new ATOM 1902 N LYS A 114 -7.242 6.273 1.169 1.00 21.43 N ATOM 1903 CA LYS A 114 -7.807 7.315 2.048 1.00 34.24 C ATOM 1904 C LYS A 114 -7.436 7.048 3.523 1.00 31.23 C ATOM 1905 O LYS A 114 -6.847 7.910 4.175 1.00 12.21 O ATOM 1906 CB LYS A 114 -9.356 7.398 1.834 1.00 65.32 C ATOM 1907 CG LYS A 114 -10.135 8.416 2.727 1.00 35.34 C ATOM 1908 CD LYS A 114 -10.637 7.810 4.068 1.00 75.44 C ATOM 1909 CE LYS A 114 -11.420 8.816 4.924 1.00 41.35 C ATOM 1910 NZ LYS A 114 -12.671 9.268 4.253 1.00 25.44 N ATOM 0 H LYS A 114 -7.952 5.701 0.712 1.00 21.43 H new ATOM 0 HA LYS A 114 -7.378 8.283 1.787 1.00 34.24 H new ATOM 0 HB2 LYS A 114 -9.542 7.650 0.790 1.00 65.32 H new ATOM 0 HB3 LYS A 114 -9.776 6.407 2.003 1.00 65.32 H new ATOM 0 HG2 LYS A 114 -9.489 9.267 2.942 1.00 35.34 H new ATOM 0 HG3 LYS A 114 -10.989 8.798 2.168 1.00 35.34 H new ATOM 0 HD2 LYS A 114 -11.272 6.949 3.857 1.00 75.44 H new ATOM 0 HD3 LYS A 114 -9.783 7.444 4.637 1.00 75.44 H new ATOM 0 HE2 LYS A 114 -11.668 8.360 5.883 1.00 41.35 H new ATOM 0 HE3 LYS A 114 -10.790 9.680 5.135 1.00 41.35 H new ATOM 0 HZ1 LYS A 114 -13.226 9.852 4.911 1.00 25.44 H new ATOM 0 HZ2 LYS A 114 -12.430 9.829 3.411 1.00 25.44 H new ATOM 0 HZ3 LYS A 114 -13.231 8.439 3.968 1.00 25.44 H new ATOM 1924 N LYS A 115 -7.782 5.842 4.018 1.00 12.53 N ATOM 1925 CA LYS A 115 -7.565 5.436 5.425 1.00 44.31 C ATOM 1926 C LYS A 115 -6.088 5.583 5.832 1.00 63.13 C ATOM 1927 O LYS A 115 -5.786 6.091 6.910 1.00 73.41 O ATOM 1928 CB LYS A 115 -8.035 3.971 5.648 1.00 73.32 C ATOM 1929 CG LYS A 115 -9.555 3.722 5.478 1.00 73.31 C ATOM 1930 CD LYS A 115 -10.433 4.531 6.469 1.00 11.45 C ATOM 1931 CE LYS A 115 -11.921 4.156 6.379 1.00 24.02 C ATOM 1932 NZ LYS A 115 -12.754 4.859 7.393 1.00 42.23 N ATOM 0 H LYS A 115 -8.222 5.117 3.451 1.00 12.53 H new ATOM 0 HA LYS A 115 -8.157 6.100 6.054 1.00 44.31 H new ATOM 0 HB2 LYS A 115 -7.499 3.327 4.951 1.00 73.32 H new ATOM 0 HB3 LYS A 115 -7.745 3.664 6.653 1.00 73.32 H new ATOM 0 HG2 LYS A 115 -9.844 3.977 4.458 1.00 73.31 H new ATOM 0 HG3 LYS A 115 -9.757 2.659 5.611 1.00 73.31 H new ATOM 0 HD2 LYS A 115 -10.079 4.360 7.486 1.00 11.45 H new ATOM 0 HD3 LYS A 115 -10.317 5.596 6.266 1.00 11.45 H new ATOM 0 HE2 LYS A 115 -12.292 4.394 5.382 1.00 24.02 H new ATOM 0 HE3 LYS A 115 -12.028 3.079 6.510 1.00 24.02 H new ATOM 0 HZ1 LYS A 115 -13.747 4.570 7.287 1.00 42.23 H new ATOM 0 HZ2 LYS A 115 -12.421 4.613 8.347 1.00 42.23 H new ATOM 0 HZ3 LYS A 115 -12.676 5.887 7.254 1.00 42.23 H new ATOM 1946 N LEU A 116 -5.193 5.168 4.925 1.00 54.14 N ATOM 1947 CA LEU A 116 -3.745 5.211 5.143 1.00 44.30 C ATOM 1948 C LEU A 116 -3.213 6.665 5.110 1.00 24.44 C ATOM 1949 O LEU A 116 -2.557 7.082 6.068 1.00 21.41 O ATOM 1950 CB LEU A 116 -3.038 4.297 4.103 1.00 72.13 C ATOM 1951 CG LEU A 116 -3.167 2.751 4.356 1.00 52.33 C ATOM 1952 CD1 LEU A 116 -2.763 1.917 3.116 1.00 52.12 C ATOM 1953 CD2 LEU A 116 -2.340 2.335 5.588 1.00 5.33 C ATOM 0 H LEU A 116 -5.457 4.791 4.015 1.00 54.14 H new ATOM 0 HA LEU A 116 -3.519 4.829 6.139 1.00 44.30 H new ATOM 0 HB2 LEU A 116 -3.443 4.520 3.116 1.00 72.13 H new ATOM 0 HB3 LEU A 116 -1.979 4.556 4.079 1.00 72.13 H new ATOM 0 HG LEU A 116 -4.219 2.542 4.550 1.00 52.33 H new ATOM 0 HD11 LEU A 116 -2.869 0.856 3.341 1.00 52.12 H new ATOM 0 HD12 LEU A 116 -3.409 2.176 2.277 1.00 52.12 H new ATOM 0 HD13 LEU A 116 -1.726 2.131 2.856 1.00 52.12 H new ATOM 0 HD21 LEU A 116 -2.441 1.262 5.748 1.00 5.33 H new ATOM 0 HD22 LEU A 116 -1.291 2.580 5.422 1.00 5.33 H new ATOM 0 HD23 LEU A 116 -2.702 2.869 6.467 1.00 5.33 H new ATOM 1965 N LYS A 117 -3.516 7.437 4.029 1.00 42.44 N ATOM 1966 CA LYS A 117 -3.003 8.826 3.876 1.00 22.14 C ATOM 1967 C LYS A 117 -3.402 9.745 5.060 1.00 52.32 C ATOM 1968 O LYS A 117 -2.600 10.571 5.503 1.00 13.23 O ATOM 1969 CB LYS A 117 -3.431 9.486 2.531 1.00 32.42 C ATOM 1970 CG LYS A 117 -4.939 9.852 2.412 1.00 32.04 C ATOM 1971 CD LYS A 117 -5.238 10.915 1.332 1.00 60.44 C ATOM 1972 CE LYS A 117 -4.576 12.277 1.649 1.00 65.32 C ATOM 1973 NZ LYS A 117 -5.028 13.348 0.725 1.00 12.42 N ATOM 0 H LYS A 117 -4.107 7.124 3.259 1.00 42.44 H new ATOM 0 HA LYS A 117 -1.918 8.723 3.872 1.00 22.14 H new ATOM 0 HB2 LYS A 117 -2.843 10.393 2.389 1.00 32.42 H new ATOM 0 HB3 LYS A 117 -3.175 8.808 1.717 1.00 32.42 H new ATOM 0 HG2 LYS A 117 -5.506 8.949 2.187 1.00 32.04 H new ATOM 0 HG3 LYS A 117 -5.292 10.218 3.376 1.00 32.04 H new ATOM 0 HD2 LYS A 117 -4.883 10.557 0.365 1.00 60.44 H new ATOM 0 HD3 LYS A 117 -6.316 11.049 1.246 1.00 60.44 H new ATOM 0 HE2 LYS A 117 -4.809 12.562 2.675 1.00 65.32 H new ATOM 0 HE3 LYS A 117 -3.493 12.177 1.584 1.00 65.32 H new ATOM 0 HZ1 LYS A 117 -4.295 14.082 0.660 1.00 12.42 H new ATOM 0 HZ2 LYS A 117 -5.198 12.944 -0.218 1.00 12.42 H new ATOM 0 HZ3 LYS A 117 -5.908 13.769 1.085 1.00 12.42 H new ATOM 1987 N GLU A 118 -4.637 9.574 5.565 1.00 62.13 N ATOM 1988 CA GLU A 118 -5.186 10.389 6.666 1.00 41.15 C ATOM 1989 C GLU A 118 -4.513 10.091 8.021 1.00 34.55 C ATOM 1990 O GLU A 118 -4.571 10.917 8.939 1.00 72.52 O ATOM 1991 CB GLU A 118 -6.724 10.198 6.742 1.00 15.43 C ATOM 1992 CG GLU A 118 -7.501 10.742 5.519 1.00 44.03 C ATOM 1993 CD GLU A 118 -7.336 12.261 5.316 1.00 2.53 C ATOM 1994 OE1 GLU A 118 -6.339 12.694 4.698 1.00 41.42 O ATOM 1995 OE2 GLU A 118 -8.198 13.037 5.789 1.00 4.40 O ATOM 0 H GLU A 118 -5.285 8.865 5.221 1.00 62.13 H new ATOM 0 HA GLU A 118 -4.966 11.434 6.447 1.00 41.15 H new ATOM 0 HB2 GLU A 118 -6.940 9.135 6.850 1.00 15.43 H new ATOM 0 HB3 GLU A 118 -7.094 10.692 7.640 1.00 15.43 H new ATOM 0 HG2 GLU A 118 -7.161 10.224 4.622 1.00 44.03 H new ATOM 0 HG3 GLU A 118 -8.560 10.512 5.638 1.00 44.03 H new ATOM 2002 N GLU A 119 -3.886 8.916 8.146 1.00 34.33 N ATOM 2003 CA GLU A 119 -3.100 8.563 9.338 1.00 30.44 C ATOM 2004 C GLU A 119 -1.645 9.044 9.193 1.00 32.24 C ATOM 2005 O GLU A 119 -1.060 9.579 10.143 1.00 14.32 O ATOM 2006 CB GLU A 119 -3.146 7.035 9.576 1.00 42.41 C ATOM 2007 CG GLU A 119 -4.554 6.467 9.830 1.00 23.33 C ATOM 2008 CD GLU A 119 -5.221 6.976 11.130 1.00 22.21 C ATOM 2009 OE1 GLU A 119 -5.920 8.020 11.096 1.00 60.34 O ATOM 2010 OE2 GLU A 119 -5.051 6.333 12.190 1.00 31.33 O ATOM 0 H GLU A 119 -3.907 8.188 7.432 1.00 34.33 H new ATOM 0 HA GLU A 119 -3.538 9.063 10.201 1.00 30.44 H new ATOM 0 HB2 GLU A 119 -2.717 6.533 8.709 1.00 42.41 H new ATOM 0 HB3 GLU A 119 -2.512 6.794 10.430 1.00 42.41 H new ATOM 0 HG2 GLU A 119 -5.193 6.720 8.984 1.00 23.33 H new ATOM 0 HG3 GLU A 119 -4.493 5.379 9.869 1.00 23.33 H new ATOM 2017 N ILE A 120 -1.072 8.876 7.979 1.00 40.30 N ATOM 2018 CA ILE A 120 0.361 9.138 7.726 1.00 22.21 C ATOM 2019 C ILE A 120 0.642 10.630 7.482 1.00 44.12 C ATOM 2020 O ILE A 120 1.798 11.038 7.457 1.00 54.33 O ATOM 2021 CB ILE A 120 0.926 8.278 6.521 1.00 1.34 C ATOM 2022 CG1 ILE A 120 0.413 8.800 5.136 1.00 41.01 C ATOM 2023 CG2 ILE A 120 0.567 6.789 6.723 1.00 5.11 C ATOM 2024 CD1 ILE A 120 0.979 8.092 3.902 1.00 73.41 C ATOM 0 H ILE A 120 -1.585 8.558 7.156 1.00 40.30 H new ATOM 0 HA ILE A 120 0.883 8.834 8.634 1.00 22.21 H new ATOM 0 HB ILE A 120 2.011 8.382 6.513 1.00 1.34 H new ATOM 0 HG12 ILE A 120 -0.673 8.711 5.116 1.00 41.01 H new ATOM 0 HG13 ILE A 120 0.647 9.862 5.061 1.00 41.01 H new ATOM 0 HG21 ILE A 120 0.959 6.204 5.891 1.00 5.11 H new ATOM 0 HG22 ILE A 120 1.005 6.432 7.655 1.00 5.11 H new ATOM 0 HG23 ILE A 120 -0.517 6.679 6.766 1.00 5.11 H new ATOM 0 HD11 ILE A 120 0.555 8.536 3.001 1.00 73.41 H new ATOM 0 HD12 ILE A 120 2.063 8.202 3.885 1.00 73.41 H new ATOM 0 HD13 ILE A 120 0.723 7.033 3.940 1.00 73.41 H new ATOM 2036 N LYS A 121 -0.416 11.449 7.332 1.00 14.14 N ATOM 2037 CA LYS A 121 -0.266 12.900 7.082 1.00 73.43 C ATOM 2038 C LYS A 121 0.236 13.648 8.330 1.00 40.11 C ATOM 2039 O LYS A 121 0.635 14.817 8.257 1.00 34.24 O ATOM 2040 CB LYS A 121 -1.588 13.508 6.559 1.00 71.11 C ATOM 2041 CG LYS A 121 -2.760 13.500 7.561 1.00 11.02 C ATOM 2042 CD LYS A 121 -4.039 14.145 6.973 1.00 10.13 C ATOM 2043 CE LYS A 121 -5.199 14.191 7.979 1.00 24.43 C ATOM 2044 NZ LYS A 121 -6.433 14.753 7.371 1.00 54.15 N ATOM 0 H LYS A 121 -1.385 11.133 7.379 1.00 14.14 H new ATOM 0 HA LYS A 121 0.493 13.022 6.309 1.00 73.43 H new ATOM 0 HB2 LYS A 121 -1.399 14.537 6.254 1.00 71.11 H new ATOM 0 HB3 LYS A 121 -1.892 12.962 5.666 1.00 71.11 H new ATOM 0 HG2 LYS A 121 -2.976 12.473 7.856 1.00 11.02 H new ATOM 0 HG3 LYS A 121 -2.467 14.036 8.464 1.00 11.02 H new ATOM 0 HD2 LYS A 121 -3.810 15.158 6.642 1.00 10.13 H new ATOM 0 HD3 LYS A 121 -4.351 13.585 6.091 1.00 10.13 H new ATOM 0 HE2 LYS A 121 -5.401 13.185 8.348 1.00 24.43 H new ATOM 0 HE3 LYS A 121 -4.910 14.794 8.840 1.00 24.43 H new ATOM 0 HZ1 LYS A 121 -6.870 15.426 8.032 1.00 54.15 H new ATOM 0 HZ2 LYS A 121 -6.192 15.244 6.487 1.00 54.15 H new ATOM 0 HZ3 LYS A 121 -7.102 13.983 7.168 1.00 54.15 H new ATOM 2058 N ASN A 122 0.199 12.951 9.471 1.00 74.53 N ATOM 2059 CA ASN A 122 0.732 13.436 10.748 1.00 13.05 C ATOM 2060 C ASN A 122 2.244 13.130 10.874 1.00 12.00 C ATOM 2061 O ASN A 122 2.907 13.648 11.782 1.00 14.03 O ATOM 2062 CB ASN A 122 -0.057 12.780 11.914 1.00 21.11 C ATOM 2063 CG ASN A 122 -1.560 13.080 11.862 1.00 41.30 C ATOM 2064 OD1 ASN A 122 -2.324 12.370 11.202 1.00 5.55 O ATOM 2065 ND2 ASN A 122 -1.997 14.123 12.559 1.00 72.02 N ATOM 0 H ASN A 122 -0.209 12.018 9.534 1.00 74.53 H new ATOM 0 HA ASN A 122 0.612 14.518 10.792 1.00 13.05 H new ATOM 0 HB2 ASN A 122 0.094 11.701 11.886 1.00 21.11 H new ATOM 0 HB3 ASN A 122 0.346 13.134 12.863 1.00 21.11 H new ATOM 0 HD21 ASN A 122 -2.990 14.357 12.559 1.00 72.02 H new ATOM 0 HD22 ASN A 122 -1.340 14.690 13.094 1.00 72.02 H new ATOM 2072 N ASN A 123 2.779 12.281 9.965 1.00 10.24 N ATOM 2073 CA ASN A 123 4.212 11.903 9.948 1.00 42.22 C ATOM 2074 C ASN A 123 5.084 13.051 9.410 1.00 33.31 C ATOM 2075 O ASN A 123 4.707 13.746 8.460 1.00 24.20 O ATOM 2076 CB ASN A 123 4.469 10.637 9.080 1.00 20.22 C ATOM 2077 CG ASN A 123 3.788 9.369 9.595 1.00 71.32 C ATOM 2078 OD1 ASN A 123 3.546 9.204 10.791 1.00 31.23 O ATOM 2079 ND2 ASN A 123 3.500 8.450 8.692 1.00 20.30 N ATOM 0 H ASN A 123 2.232 11.840 9.226 1.00 10.24 H new ATOM 0 HA ASN A 123 4.483 11.687 10.981 1.00 42.22 H new ATOM 0 HB2 ASN A 123 4.126 10.832 8.064 1.00 20.22 H new ATOM 0 HB3 ASN A 123 5.543 10.461 9.025 1.00 20.22 H new ATOM 0 HD21 ASN A 123 3.064 7.573 8.978 1.00 20.30 H new ATOM 0 HD22 ASN A 123 3.713 8.617 7.709 1.00 20.30 H new ATOM 2086 N ASN A 124 6.264 13.209 10.019 1.00 64.34 N ATOM 2087 CA ASN A 124 7.305 14.167 9.579 1.00 12.44 C ATOM 2088 C ASN A 124 8.265 13.498 8.557 1.00 0.35 C ATOM 2089 O ASN A 124 9.156 14.149 8.001 1.00 63.13 O ATOM 2090 CB ASN A 124 8.067 14.684 10.840 1.00 23.24 C ATOM 2091 CG ASN A 124 9.202 15.678 10.548 1.00 72.24 C ATOM 2092 OD1 ASN A 124 10.368 15.294 10.426 1.00 74.12 O ATOM 2093 ND2 ASN A 124 8.873 16.954 10.416 1.00 3.23 N ATOM 0 H ASN A 124 6.534 12.672 10.843 1.00 64.34 H new ATOM 0 HA ASN A 124 6.846 15.015 9.071 1.00 12.44 H new ATOM 0 HB2 ASN A 124 7.351 15.160 11.510 1.00 23.24 H new ATOM 0 HB3 ASN A 124 8.481 13.828 11.372 1.00 23.24 H new ATOM 0 HD21 ASN A 124 9.592 17.647 10.208 1.00 3.23 H new ATOM 0 HD22 ASN A 124 7.901 17.244 10.522 1.00 3.23 H new ATOM 2100 N ASN A 125 8.024 12.201 8.261 1.00 74.24 N ATOM 2101 CA ASN A 125 8.884 11.383 7.374 1.00 45.33 C ATOM 2102 C ASN A 125 8.229 11.181 5.993 1.00 63.40 C ATOM 2103 O ASN A 125 8.641 10.294 5.245 1.00 34.24 O ATOM 2104 CB ASN A 125 9.197 10.005 8.040 1.00 54.12 C ATOM 2105 CG ASN A 125 7.943 9.196 8.404 1.00 65.41 C ATOM 2106 OD1 ASN A 125 7.416 8.416 7.473 1.00 22.54 O flip ATOM 2107 ND2 ASN A 125 7.439 9.294 9.514 1.00 62.34 N flip ATOM 0 H ASN A 125 7.224 11.689 8.632 1.00 74.24 H new ATOM 0 HA ASN A 125 9.821 11.920 7.224 1.00 45.33 H new ATOM 0 HB2 ASN A 125 9.815 9.416 7.362 1.00 54.12 H new ATOM 0 HB3 ASN A 125 9.785 10.173 8.942 1.00 54.12 H new ATOM 0 HD21 ASN A 125 7.863 9.901 10.215 1.00 62.34 H new ATOM 0 HD22 ASN A 125 6.594 8.768 9.739 1.00 62.34 H new ATOM 2114 N ILE A 126 7.242 12.036 5.643 1.00 62.25 N ATOM 2115 CA ILE A 126 6.523 11.930 4.358 1.00 34.33 C ATOM 2116 C ILE A 126 7.440 12.373 3.208 1.00 2.34 C ATOM 2117 O ILE A 126 7.854 13.540 3.145 1.00 51.10 O ATOM 2118 CB ILE A 126 5.180 12.764 4.348 1.00 25.52 C ATOM 2119 CG1 ILE A 126 4.157 12.141 5.345 1.00 54.11 C ATOM 2120 CG2 ILE A 126 4.565 12.870 2.917 1.00 0.20 C ATOM 2121 CD1 ILE A 126 3.759 10.710 5.018 1.00 53.14 C ATOM 0 H ILE A 126 6.927 12.806 6.233 1.00 62.25 H new ATOM 0 HA ILE A 126 6.247 10.884 4.222 1.00 34.33 H new ATOM 0 HB ILE A 126 5.417 13.779 4.667 1.00 25.52 H new ATOM 0 HG12 ILE A 126 4.582 12.168 6.348 1.00 54.11 H new ATOM 0 HG13 ILE A 126 3.260 12.761 5.362 1.00 54.11 H new ATOM 0 HG21 ILE A 126 3.644 13.451 2.959 1.00 0.20 H new ATOM 0 HG22 ILE A 126 5.275 13.362 2.252 1.00 0.20 H new ATOM 0 HG23 ILE A 126 4.347 11.871 2.540 1.00 0.20 H new ATOM 0 HD11 ILE A 126 3.045 10.352 5.760 1.00 53.14 H new ATOM 0 HD12 ILE A 126 3.302 10.676 4.029 1.00 53.14 H new ATOM 0 HD13 ILE A 126 4.644 10.074 5.030 1.00 53.14 H new ATOM 2133 N MET A 127 7.751 11.421 2.314 1.00 13.44 N ATOM 2134 CA MET A 127 8.589 11.673 1.139 1.00 60.02 C ATOM 2135 C MET A 127 7.773 12.470 0.099 1.00 23.51 C ATOM 2136 O MET A 127 6.689 12.041 -0.336 1.00 60.22 O ATOM 2137 CB MET A 127 9.173 10.333 0.576 1.00 2.12 C ATOM 2138 CG MET A 127 8.136 9.269 0.181 1.00 64.23 C ATOM 2139 SD MET A 127 8.832 7.608 -0.029 1.00 24.31 S ATOM 2140 CE MET A 127 10.082 7.835 -1.296 1.00 73.13 C ATOM 0 H MET A 127 7.427 10.457 2.389 1.00 13.44 H new ATOM 0 HA MET A 127 9.452 12.279 1.413 1.00 60.02 H new ATOM 0 HB2 MET A 127 9.782 10.562 -0.298 1.00 2.12 H new ATOM 0 HB3 MET A 127 9.839 9.905 1.325 1.00 2.12 H new ATOM 0 HG2 MET A 127 7.358 9.233 0.944 1.00 64.23 H new ATOM 0 HG3 MET A 127 7.656 9.571 -0.750 1.00 64.23 H new ATOM 0 HE1 MET A 127 10.687 6.932 -1.376 1.00 73.13 H new ATOM 0 HE2 MET A 127 9.599 8.034 -2.253 1.00 73.13 H new ATOM 0 HE3 MET A 127 10.721 8.677 -1.030 1.00 73.13 H new ATOM 2150 N ILE A 128 8.282 13.677 -0.226 1.00 42.54 N ATOM 2151 CA ILE A 128 7.652 14.628 -1.181 1.00 25.55 C ATOM 2152 C ILE A 128 7.524 13.997 -2.589 1.00 14.31 C ATOM 2153 O ILE A 128 6.678 14.406 -3.380 1.00 72.14 O ATOM 2154 CB ILE A 128 8.481 15.980 -1.265 1.00 73.25 C ATOM 2155 CG1 ILE A 128 8.696 16.581 0.160 1.00 63.02 C ATOM 2156 CG2 ILE A 128 7.816 17.031 -2.207 1.00 62.11 C ATOM 2157 CD1 ILE A 128 9.594 17.811 0.203 1.00 23.31 C ATOM 0 H ILE A 128 9.154 14.028 0.170 1.00 42.54 H new ATOM 0 HA ILE A 128 6.652 14.854 -0.810 1.00 25.55 H new ATOM 0 HB ILE A 128 9.450 15.732 -1.698 1.00 73.25 H new ATOM 0 HG12 ILE A 128 7.725 16.842 0.580 1.00 63.02 H new ATOM 0 HG13 ILE A 128 9.125 15.812 0.803 1.00 63.02 H new ATOM 0 HG21 ILE A 128 8.423 17.936 -2.228 1.00 62.11 H new ATOM 0 HG22 ILE A 128 7.741 16.621 -3.214 1.00 62.11 H new ATOM 0 HG23 ILE A 128 6.819 17.271 -1.838 1.00 62.11 H new ATOM 0 HD11 ILE A 128 9.686 18.159 1.232 1.00 23.31 H new ATOM 0 HD12 ILE A 128 10.581 17.555 -0.183 1.00 23.31 H new ATOM 0 HD13 ILE A 128 9.159 18.601 -0.409 1.00 23.31 H new ATOM 2169 N LYS A 129 8.398 13.013 -2.874 1.00 35.21 N ATOM 2170 CA LYS A 129 8.462 12.270 -4.151 1.00 44.54 C ATOM 2171 C LYS A 129 8.279 10.765 -3.876 1.00 4.30 C ATOM 2172 O LYS A 129 8.701 10.270 -2.838 1.00 72.23 O ATOM 2173 CB LYS A 129 9.830 12.523 -4.886 1.00 12.12 C ATOM 2174 CG LYS A 129 9.896 13.783 -5.795 1.00 63.34 C ATOM 2175 CD LYS A 129 9.623 15.098 -5.037 1.00 1.21 C ATOM 2176 CE LYS A 129 9.737 16.344 -5.920 1.00 43.40 C ATOM 2177 NZ LYS A 129 11.115 16.543 -6.448 1.00 45.02 N ATOM 0 H LYS A 129 9.101 12.702 -2.203 1.00 35.21 H new ATOM 0 HA LYS A 129 7.662 12.625 -4.801 1.00 44.54 H new ATOM 0 HB2 LYS A 129 10.614 12.602 -4.133 1.00 12.12 H new ATOM 0 HB3 LYS A 129 10.059 11.648 -5.495 1.00 12.12 H new ATOM 0 HG2 LYS A 129 10.881 13.837 -6.258 1.00 63.34 H new ATOM 0 HG3 LYS A 129 9.170 13.679 -6.601 1.00 63.34 H new ATOM 0 HD2 LYS A 129 8.623 15.059 -4.604 1.00 1.21 H new ATOM 0 HD3 LYS A 129 10.326 15.184 -4.208 1.00 1.21 H new ATOM 0 HE2 LYS A 129 9.040 16.260 -6.754 1.00 43.40 H new ATOM 0 HE3 LYS A 129 9.441 17.221 -5.345 1.00 43.40 H new ATOM 0 HZ1 LYS A 129 11.170 17.458 -6.939 1.00 45.02 H new ATOM 0 HZ2 LYS A 129 11.794 16.532 -5.660 1.00 45.02 H new ATOM 0 HZ3 LYS A 129 11.345 15.778 -7.114 1.00 45.02 H new ATOM 2191 N TYR A 130 7.627 10.065 -4.812 1.00 43.53 N ATOM 2192 CA TYR A 130 7.479 8.602 -4.807 1.00 74.54 C ATOM 2193 C TYR A 130 7.705 8.067 -6.243 1.00 71.12 C ATOM 2194 O TYR A 130 7.897 8.851 -7.191 1.00 70.11 O ATOM 2195 CB TYR A 130 6.063 8.202 -4.273 1.00 53.31 C ATOM 2196 CG TYR A 130 4.910 8.337 -5.299 1.00 63.42 C ATOM 2197 CD1 TYR A 130 4.619 9.560 -5.917 1.00 42.41 C ATOM 2198 CD2 TYR A 130 4.140 7.228 -5.666 1.00 52.41 C ATOM 2199 CE1 TYR A 130 3.612 9.666 -6.857 1.00 53.14 C ATOM 2200 CE2 TYR A 130 3.134 7.337 -6.599 1.00 22.12 C ATOM 2201 CZ TYR A 130 2.874 8.551 -7.194 1.00 64.40 C ATOM 2202 OH TYR A 130 1.870 8.647 -8.129 1.00 4.52 O ATOM 0 H TYR A 130 7.177 10.509 -5.613 1.00 43.53 H new ATOM 0 HA TYR A 130 8.221 8.158 -4.143 1.00 74.54 H new ATOM 0 HB2 TYR A 130 6.101 7.169 -3.927 1.00 53.31 H new ATOM 0 HB3 TYR A 130 5.831 8.820 -3.406 1.00 53.31 H new ATOM 0 HD1 TYR A 130 5.193 10.436 -5.654 1.00 42.41 H new ATOM 0 HD2 TYR A 130 4.338 6.270 -5.209 1.00 52.41 H new ATOM 0 HE1 TYR A 130 3.404 10.617 -7.325 1.00 53.14 H new ATOM 0 HE2 TYR A 130 2.548 6.469 -6.865 1.00 22.12 H new ATOM 0 HH TYR A 130 2.090 9.351 -8.774 1.00 4.52 H new ATOM 2212 N HIS A 131 7.706 6.735 -6.390 1.00 0.23 N ATOM 2213 CA HIS A 131 7.741 6.063 -7.706 1.00 12.21 C ATOM 2214 C HIS A 131 6.330 5.542 -8.046 1.00 22.52 C ATOM 2215 O HIS A 131 5.797 4.720 -7.302 1.00 13.22 O ATOM 2216 CB HIS A 131 8.761 4.904 -7.682 1.00 1.03 C ATOM 2217 CG HIS A 131 10.157 5.354 -7.356 1.00 40.34 C ATOM 2218 ND1 HIS A 131 11.080 5.588 -8.331 1.00 41.22 N ATOM 2219 CD2 HIS A 131 10.722 5.600 -6.149 1.00 22.55 C ATOM 2220 CE1 HIS A 131 12.174 5.968 -7.716 1.00 12.52 C ATOM 2221 NE2 HIS A 131 12.006 5.990 -6.389 1.00 54.51 N ATOM 0 H HIS A 131 7.683 6.088 -5.602 1.00 0.23 H new ATOM 0 HA HIS A 131 8.052 6.772 -8.473 1.00 12.21 H new ATOM 0 HB2 HIS A 131 8.444 4.164 -6.948 1.00 1.03 H new ATOM 0 HB3 HIS A 131 8.763 4.409 -8.653 1.00 1.03 H new ATOM 0 HD1 HIS A 131 10.947 5.488 -9.337 1.00 41.22 H new ATOM 0 HD2 HIS A 131 10.247 5.505 -5.184 1.00 22.55 H new ATOM 0 HE1 HIS A 131 13.094 6.230 -8.217 1.00 12.52 H new ATOM 2229 N PRO A 132 5.699 6.014 -9.165 1.00 24.50 N ATOM 2230 CA PRO A 132 4.301 5.644 -9.528 1.00 14.34 C ATOM 2231 C PRO A 132 4.155 4.217 -10.101 1.00 53.25 C ATOM 2232 O PRO A 132 3.029 3.762 -10.341 1.00 32.42 O ATOM 2233 CB PRO A 132 3.946 6.708 -10.594 1.00 43.44 C ATOM 2234 CG PRO A 132 5.246 6.998 -11.270 1.00 31.24 C ATOM 2235 CD PRO A 132 6.285 6.956 -10.164 1.00 43.33 C ATOM 0 HA PRO A 132 3.646 5.631 -8.657 1.00 14.34 H new ATOM 0 HB2 PRO A 132 3.205 6.333 -11.300 1.00 43.44 H new ATOM 0 HB3 PRO A 132 3.526 7.604 -10.138 1.00 43.44 H new ATOM 0 HG2 PRO A 132 5.462 6.260 -12.042 1.00 31.24 H new ATOM 0 HG3 PRO A 132 5.228 7.973 -11.757 1.00 31.24 H new ATOM 0 HD2 PRO A 132 7.248 6.602 -10.532 1.00 43.33 H new ATOM 0 HD3 PRO A 132 6.452 7.943 -9.734 1.00 43.33 H new ATOM 2243 N LYS A 133 5.296 3.539 -10.342 1.00 53.15 N ATOM 2244 CA LYS A 133 5.342 2.220 -11.008 1.00 4.44 C ATOM 2245 C LYS A 133 5.893 1.130 -10.054 1.00 14.45 C ATOM 2246 O LYS A 133 6.160 1.396 -8.876 1.00 23.50 O ATOM 2247 CB LYS A 133 6.198 2.318 -12.301 1.00 21.04 C ATOM 2248 CG LYS A 133 5.789 3.439 -13.292 1.00 73.24 C ATOM 2249 CD LYS A 133 4.321 3.345 -13.751 1.00 12.40 C ATOM 2250 CE LYS A 133 3.959 4.374 -14.830 1.00 11.42 C ATOM 2251 NZ LYS A 133 4.750 4.192 -16.077 1.00 50.11 N ATOM 0 H LYS A 133 6.216 3.892 -10.079 1.00 53.15 H new ATOM 0 HA LYS A 133 4.327 1.928 -11.279 1.00 4.44 H new ATOM 0 HB2 LYS A 133 7.239 2.472 -12.016 1.00 21.04 H new ATOM 0 HB3 LYS A 133 6.148 1.362 -12.822 1.00 21.04 H new ATOM 0 HG2 LYS A 133 5.953 4.408 -12.821 1.00 73.24 H new ATOM 0 HG3 LYS A 133 6.439 3.396 -14.166 1.00 73.24 H new ATOM 0 HD2 LYS A 133 4.130 2.343 -14.135 1.00 12.40 H new ATOM 0 HD3 LYS A 133 3.668 3.486 -12.890 1.00 12.40 H new ATOM 0 HE2 LYS A 133 2.897 4.294 -15.062 1.00 11.42 H new ATOM 0 HE3 LYS A 133 4.126 5.378 -14.441 1.00 11.42 H new ATOM 0 HZ1 LYS A 133 4.346 4.781 -16.833 1.00 50.11 H new ATOM 0 HZ2 LYS A 133 5.736 4.475 -15.907 1.00 50.11 H new ATOM 0 HZ3 LYS A 133 4.721 3.193 -16.364 1.00 50.11 H new ATOM 2265 N PHE A 134 6.059 -0.097 -10.594 1.00 54.22 N ATOM 2266 CA PHE A 134 6.459 -1.288 -9.819 1.00 45.12 C ATOM 2267 C PHE A 134 7.986 -1.328 -9.589 1.00 51.43 C ATOM 2268 O PHE A 134 8.773 -1.157 -10.531 1.00 14.54 O ATOM 2269 CB PHE A 134 6.005 -2.583 -10.553 1.00 34.43 C ATOM 2270 CG PHE A 134 4.492 -2.755 -10.656 1.00 72.31 C ATOM 2271 CD1 PHE A 134 3.748 -3.091 -9.526 1.00 12.55 C ATOM 2272 CD2 PHE A 134 3.814 -2.589 -11.871 1.00 71.12 C ATOM 2273 CE1 PHE A 134 2.381 -3.256 -9.598 1.00 34.52 C ATOM 2274 CE2 PHE A 134 2.441 -2.754 -11.943 1.00 64.31 C ATOM 2275 CZ PHE A 134 1.726 -3.087 -10.807 1.00 23.31 C ATOM 0 H PHE A 134 5.918 -0.288 -11.586 1.00 54.22 H new ATOM 0 HA PHE A 134 5.970 -1.229 -8.846 1.00 45.12 H new ATOM 0 HB2 PHE A 134 6.427 -2.583 -11.558 1.00 34.43 H new ATOM 0 HB3 PHE A 134 6.421 -3.445 -10.033 1.00 34.43 H new ATOM 0 HD1 PHE A 134 4.250 -3.224 -8.579 1.00 12.55 H new ATOM 0 HD2 PHE A 134 4.368 -2.330 -12.761 1.00 71.12 H new ATOM 0 HE1 PHE A 134 1.821 -3.517 -8.712 1.00 34.52 H new ATOM 0 HE2 PHE A 134 1.929 -2.623 -12.885 1.00 64.31 H new ATOM 0 HZ PHE A 134 0.655 -3.216 -10.862 1.00 23.31 H new ATOM 2285 N TRP A 135 8.385 -1.554 -8.323 1.00 23.23 N ATOM 2286 CA TRP A 135 9.780 -1.808 -7.937 1.00 51.35 C ATOM 2287 C TRP A 135 10.148 -3.262 -8.258 1.00 61.55 C ATOM 2288 O TRP A 135 9.762 -4.193 -7.539 1.00 71.43 O ATOM 2289 CB TRP A 135 10.013 -1.499 -6.425 1.00 44.32 C ATOM 2290 CG TRP A 135 10.251 -0.037 -6.103 1.00 70.03 C ATOM 2291 CD1 TRP A 135 10.081 1.040 -6.927 1.00 63.05 C ATOM 2292 CD2 TRP A 135 10.719 0.496 -4.853 1.00 1.33 C ATOM 2293 NE1 TRP A 135 10.428 2.190 -6.273 1.00 2.24 N ATOM 2294 CE2 TRP A 135 10.815 1.889 -5.000 1.00 52.24 C ATOM 2295 CE3 TRP A 135 11.066 -0.074 -3.627 1.00 45.11 C ATOM 2296 CZ2 TRP A 135 11.245 2.724 -3.972 1.00 11.42 C ATOM 2297 CZ3 TRP A 135 11.488 0.752 -2.604 1.00 73.21 C ATOM 2298 CH2 TRP A 135 11.576 2.141 -2.780 1.00 4.00 C ATOM 0 H TRP A 135 7.739 -1.565 -7.534 1.00 23.23 H new ATOM 0 HA TRP A 135 10.426 -1.143 -8.510 1.00 51.35 H new ATOM 0 HB2 TRP A 135 9.147 -1.844 -5.861 1.00 44.32 H new ATOM 0 HB3 TRP A 135 10.870 -2.077 -6.079 1.00 44.32 H new ATOM 0 HD1 TRP A 135 9.725 0.990 -7.945 1.00 63.05 H new ATOM 0 HE1 TRP A 135 10.402 3.127 -6.675 1.00 2.24 H new ATOM 0 HE3 TRP A 135 11.005 -1.142 -3.481 1.00 45.11 H new ATOM 0 HZ2 TRP A 135 11.315 3.793 -4.111 1.00 11.42 H new ATOM 0 HZ3 TRP A 135 11.755 0.321 -1.651 1.00 73.21 H new ATOM 0 HH2 TRP A 135 11.911 2.760 -1.961 1.00 4.00 H new ATOM 2309 N THR A 136 10.851 -3.428 -9.371 1.00 71.35 N ATOM 2310 CA THR A 136 11.415 -4.699 -9.812 1.00 41.54 C ATOM 2311 C THR A 136 12.782 -4.382 -10.437 1.00 52.31 C ATOM 2312 O THR A 136 12.871 -3.510 -11.313 1.00 14.42 O ATOM 2313 CB THR A 136 10.465 -5.424 -10.830 1.00 12.02 C ATOM 2314 OG1 THR A 136 9.156 -5.589 -10.246 1.00 61.21 O ATOM 2315 CG2 THR A 136 11.007 -6.801 -11.248 1.00 35.10 C ATOM 0 H THR A 136 11.051 -2.660 -10.011 1.00 71.35 H new ATOM 0 HA THR A 136 11.529 -5.385 -8.973 1.00 41.54 H new ATOM 0 HB THR A 136 10.408 -4.799 -11.721 1.00 12.02 H new ATOM 0 HG1 THR A 136 8.567 -6.040 -10.886 1.00 61.21 H new ATOM 0 HG21 THR A 136 10.317 -7.265 -11.953 1.00 35.10 H new ATOM 0 HG22 THR A 136 11.982 -6.680 -11.721 1.00 35.10 H new ATOM 0 HG23 THR A 136 11.107 -7.435 -10.367 1.00 35.10 H new ATOM 2323 N ASP A 137 13.840 -5.054 -9.945 1.00 72.12 N ATOM 2324 CA ASP A 137 15.240 -4.744 -10.293 1.00 64.55 C ATOM 2325 C ASP A 137 15.524 -4.903 -11.797 1.00 31.22 C ATOM 2326 O ASP A 137 15.330 -5.989 -12.358 1.00 3.33 O ATOM 2327 CB ASP A 137 16.209 -5.621 -9.460 1.00 4.44 C ATOM 2328 CG ASP A 137 16.163 -5.294 -7.955 1.00 42.14 C ATOM 2329 OD1 ASP A 137 15.226 -5.744 -7.263 1.00 71.12 O ATOM 2330 OD2 ASP A 137 17.056 -4.579 -7.456 1.00 21.35 O ATOM 0 H ASP A 137 13.747 -5.831 -9.291 1.00 72.12 H new ATOM 0 HA ASP A 137 15.406 -3.695 -10.049 1.00 64.55 H new ATOM 0 HB2 ASP A 137 15.959 -6.672 -9.607 1.00 4.44 H new ATOM 0 HB3 ASP A 137 17.226 -5.481 -9.827 1.00 4.44 H new ATOM 2335 N GLY A 138 15.977 -3.793 -12.429 1.00 52.15 N ATOM 2336 CA GLY A 138 16.304 -3.764 -13.854 1.00 11.24 C ATOM 2337 C GLY A 138 15.112 -4.043 -14.743 1.00 63.25 C ATOM 2338 O GLY A 138 15.148 -4.966 -15.565 1.00 23.31 O ATOM 0 H GLY A 138 16.122 -2.901 -11.956 1.00 52.15 H new ATOM 0 HA2 GLY A 138 16.717 -2.787 -14.106 1.00 11.24 H new ATOM 0 HA3 GLY A 138 17.081 -4.501 -14.057 1.00 11.24 H new ATOM 2342 N SER A 139 14.053 -3.240 -14.585 1.00 63.14 N ATOM 2343 CA SER A 139 12.762 -3.494 -15.245 1.00 23.43 C ATOM 2344 C SER A 139 12.103 -2.194 -15.731 1.00 2.12 C ATOM 2345 O SER A 139 12.517 -1.086 -15.347 1.00 53.33 O ATOM 2346 CB SER A 139 11.823 -4.239 -14.270 1.00 54.13 C ATOM 2347 OG SER A 139 10.684 -4.769 -14.934 1.00 54.22 O ATOM 0 H SER A 139 14.063 -2.403 -14.002 1.00 63.14 H new ATOM 0 HA SER A 139 12.946 -4.112 -16.124 1.00 23.43 H new ATOM 0 HB2 SER A 139 12.370 -5.048 -13.785 1.00 54.13 H new ATOM 0 HB3 SER A 139 11.500 -3.557 -13.484 1.00 54.13 H new ATOM 0 HG SER A 139 10.115 -5.234 -14.286 1.00 54.22 H new ATOM 2353 N TYR A 140 11.080 -2.362 -16.595 1.00 64.20 N ATOM 2354 CA TYR A 140 10.269 -1.258 -17.116 1.00 3.05 C ATOM 2355 C TYR A 140 9.459 -0.597 -15.982 1.00 20.02 C ATOM 2356 O TYR A 140 8.520 -1.199 -15.444 1.00 45.13 O ATOM 2357 CB TYR A 140 9.319 -1.762 -18.240 1.00 41.34 C ATOM 2358 CG TYR A 140 10.028 -2.155 -19.548 1.00 30.30 C ATOM 2359 CD1 TYR A 140 10.594 -1.176 -20.371 1.00 22.15 C ATOM 2360 CD2 TYR A 140 10.129 -3.489 -19.966 1.00 51.11 C ATOM 2361 CE1 TYR A 140 11.230 -1.511 -21.552 1.00 34.43 C ATOM 2362 CE2 TYR A 140 10.769 -3.825 -21.147 1.00 51.45 C ATOM 2363 CZ TYR A 140 11.316 -2.833 -21.933 1.00 4.24 C ATOM 2364 OH TYR A 140 11.952 -3.163 -23.112 1.00 34.35 O ATOM 0 H TYR A 140 10.797 -3.276 -16.949 1.00 64.20 H new ATOM 0 HA TYR A 140 10.940 -0.511 -17.540 1.00 3.05 H new ATOM 0 HB2 TYR A 140 8.764 -2.624 -17.870 1.00 41.34 H new ATOM 0 HB3 TYR A 140 8.589 -0.982 -18.458 1.00 41.34 H new ATOM 0 HD1 TYR A 140 10.533 -0.138 -20.078 1.00 22.15 H new ATOM 0 HD2 TYR A 140 9.700 -4.270 -19.355 1.00 51.11 H new ATOM 0 HE1 TYR A 140 11.658 -0.739 -22.174 1.00 34.43 H new ATOM 0 HE2 TYR A 140 10.839 -4.859 -21.451 1.00 51.45 H new ATOM 0 HH TYR A 140 11.928 -4.135 -23.236 1.00 34.35 H new ATOM 2374 N GLN A 141 9.861 0.624 -15.613 1.00 64.14 N ATOM 2375 CA GLN A 141 9.150 1.449 -14.627 1.00 64.03 C ATOM 2376 C GLN A 141 9.326 2.942 -14.976 1.00 55.03 C ATOM 2377 O GLN A 141 9.703 3.279 -16.101 1.00 0.34 O ATOM 2378 CB GLN A 141 9.631 1.135 -13.177 1.00 1.40 C ATOM 2379 CG GLN A 141 11.108 1.492 -12.888 1.00 54.04 C ATOM 2380 CD GLN A 141 11.417 1.791 -11.415 1.00 61.22 C ATOM 2381 OE1 GLN A 141 12.295 2.605 -11.118 1.00 52.35 O ATOM 2382 NE2 GLN A 141 10.740 1.125 -10.484 1.00 21.40 N ATOM 0 H GLN A 141 10.695 1.072 -15.992 1.00 64.14 H new ATOM 0 HA GLN A 141 8.087 1.209 -14.665 1.00 64.03 H new ATOM 0 HB2 GLN A 141 8.998 1.677 -12.475 1.00 1.40 H new ATOM 0 HB3 GLN A 141 9.485 0.072 -12.984 1.00 1.40 H new ATOM 0 HG2 GLN A 141 11.739 0.666 -13.217 1.00 54.04 H new ATOM 0 HG3 GLN A 141 11.382 2.361 -13.487 1.00 54.04 H new ATOM 0 HE21 GLN A 141 10.019 0.457 -10.757 1.00 21.40 H new ATOM 0 HE22 GLN A 141 10.942 1.282 -9.497 1.00 21.40 H new ATOM 2391 N CYS A 142 9.025 3.814 -14.003 1.00 1.15 N ATOM 2392 CA CYS A 142 9.073 5.275 -14.140 1.00 43.22 C ATOM 2393 C CYS A 142 10.479 5.809 -14.504 1.00 54.11 C ATOM 2394 O CYS A 142 10.718 6.201 -15.651 1.00 33.21 O ATOM 2395 CB CYS A 142 8.553 5.870 -12.814 1.00 73.22 C ATOM 2396 SG CYS A 142 9.077 4.915 -11.348 1.00 25.23 S ATOM 0 H CYS A 142 8.733 3.513 -13.073 1.00 1.15 H new ATOM 0 HA CYS A 142 8.445 5.583 -14.976 1.00 43.22 H new ATOM 0 HB2 CYS A 142 8.909 6.896 -12.718 1.00 73.22 H new ATOM 0 HB3 CYS A 142 7.464 5.912 -12.843 1.00 73.22 H new ATOM 0 HG CYS A 142 8.028 4.487 -10.711 1.00 25.23 H new ATOM 2401 N CYS A 143 11.395 5.808 -13.526 1.00 14.41 N ATOM 2402 CA CYS A 143 12.752 6.370 -13.682 1.00 64.52 C ATOM 2403 C CYS A 143 13.770 5.298 -14.111 1.00 44.52 C ATOM 2404 O CYS A 143 14.886 5.637 -14.524 1.00 22.35 O ATOM 2405 CB CYS A 143 13.172 7.004 -12.351 1.00 43.22 C ATOM 2406 SG CYS A 143 13.083 5.844 -10.955 1.00 23.33 S ATOM 0 H CYS A 143 11.219 5.417 -12.600 1.00 14.41 H new ATOM 0 HA CYS A 143 12.733 7.122 -14.470 1.00 64.52 H new ATOM 0 HB2 CYS A 143 14.191 7.380 -12.439 1.00 43.22 H new ATOM 0 HB3 CYS A 143 12.532 7.862 -12.145 1.00 43.22 H new ATOM 0 HG CYS A 143 13.844 6.267 -9.990 1.00 23.33 H new ATOM 2411 N ARG A 144 13.358 4.007 -14.017 1.00 61.12 N ATOM 2412 CA ARG A 144 14.229 2.824 -14.258 1.00 20.13 C ATOM 2413 C ARG A 144 15.413 2.795 -13.249 1.00 41.21 C ATOM 2414 O ARG A 144 16.478 2.236 -13.531 1.00 41.44 O ATOM 2415 CB ARG A 144 14.719 2.735 -15.750 1.00 63.34 C ATOM 2416 CG ARG A 144 13.613 2.483 -16.823 1.00 45.21 C ATOM 2417 CD ARG A 144 12.740 3.718 -17.138 1.00 15.41 C ATOM 2418 NE ARG A 144 13.529 4.837 -17.691 1.00 71.11 N ATOM 2419 CZ ARG A 144 13.025 5.956 -18.254 1.00 0.03 C ATOM 2420 NH1 ARG A 144 11.713 6.159 -18.347 1.00 31.41 N ATOM 2421 NH2 ARG A 144 13.853 6.873 -18.730 1.00 64.10 N ATOM 0 H ARG A 144 12.401 3.754 -13.769 1.00 61.12 H new ATOM 0 HA ARG A 144 13.625 1.933 -14.087 1.00 20.13 H new ATOM 0 HB2 ARG A 144 15.232 3.664 -15.998 1.00 63.34 H new ATOM 0 HB3 ARG A 144 15.455 1.935 -15.822 1.00 63.34 H new ATOM 0 HG2 ARG A 144 14.087 2.143 -17.744 1.00 45.21 H new ATOM 0 HG3 ARG A 144 12.968 1.674 -16.480 1.00 45.21 H new ATOM 0 HD2 ARG A 144 11.963 3.439 -17.849 1.00 15.41 H new ATOM 0 HD3 ARG A 144 12.237 4.046 -16.228 1.00 15.41 H new ATOM 0 HE ARG A 144 14.545 4.758 -17.643 1.00 71.11 H new ATOM 0 HH11 ARG A 144 11.062 5.460 -17.988 1.00 31.41 H new ATOM 0 HH12 ARG A 144 11.358 7.013 -18.777 1.00 31.41 H new ATOM 0 HH21 ARG A 144 14.861 6.730 -18.669 1.00 64.10 H new ATOM 0 HH22 ARG A 144 13.483 7.722 -19.157 1.00 64.10 H new ATOM 2435 N GLN A 145 15.198 3.392 -12.057 1.00 42.01 N ATOM 2436 CA GLN A 145 16.172 3.366 -10.945 1.00 64.01 C ATOM 2437 C GLN A 145 15.923 2.119 -10.088 1.00 42.42 C ATOM 2438 O GLN A 145 16.844 1.328 -9.861 1.00 75.32 O ATOM 2439 CB GLN A 145 16.063 4.654 -10.077 1.00 13.52 C ATOM 2440 CG GLN A 145 16.483 5.950 -10.802 1.00 61.12 C ATOM 2441 CD GLN A 145 16.282 7.231 -9.977 1.00 13.35 C ATOM 2442 OE1 GLN A 145 15.213 7.300 -9.185 1.00 73.52 O flip ATOM 2443 NE2 GLN A 145 17.067 8.180 -10.084 1.00 34.51 N flip ATOM 0 H GLN A 145 14.344 3.906 -11.839 1.00 42.01 H new ATOM 0 HA GLN A 145 17.180 3.330 -11.357 1.00 64.01 H new ATOM 0 HB2 GLN A 145 15.033 4.761 -9.735 1.00 13.52 H new ATOM 0 HB3 GLN A 145 16.683 4.532 -9.189 1.00 13.52 H new ATOM 0 HG2 GLN A 145 17.534 5.872 -11.080 1.00 61.12 H new ATOM 0 HG3 GLN A 145 15.914 6.035 -11.728 1.00 61.12 H new ATOM 0 HE21 GLN A 145 17.879 8.104 -10.697 1.00 34.51 H new ATOM 0 HE22 GLN A 145 16.903 9.039 -9.559 1.00 34.51 H new ATOM 2452 N THR A 146 14.649 1.971 -9.623 1.00 11.14 N ATOM 2453 CA THR A 146 14.144 0.846 -8.775 1.00 74.23 C ATOM 2454 C THR A 146 15.091 0.504 -7.591 1.00 72.45 C ATOM 2455 O THR A 146 15.128 -0.630 -7.087 1.00 53.03 O ATOM 2456 CB THR A 146 13.766 -0.420 -9.650 1.00 13.23 C ATOM 2457 OG1 THR A 146 13.037 -1.373 -8.856 1.00 4.11 O ATOM 2458 CG2 THR A 146 14.978 -1.126 -10.291 1.00 43.14 C ATOM 0 H THR A 146 13.920 2.653 -9.834 1.00 11.14 H new ATOM 0 HA THR A 146 13.222 1.194 -8.310 1.00 74.23 H new ATOM 0 HB THR A 146 13.152 -0.039 -10.466 1.00 13.23 H new ATOM 0 HG1 THR A 146 13.479 -1.482 -7.988 1.00 4.11 H new ATOM 0 HG21 THR A 146 14.635 -1.981 -10.873 1.00 43.14 H new ATOM 0 HG22 THR A 146 15.501 -0.429 -10.945 1.00 43.14 H new ATOM 0 HG23 THR A 146 15.656 -1.468 -9.509 1.00 43.14 H new ATOM 2466 N GLU A 147 15.814 1.540 -7.118 1.00 11.33 N ATOM 2467 CA GLU A 147 16.788 1.433 -6.024 1.00 44.35 C ATOM 2468 C GLU A 147 16.053 1.224 -4.693 1.00 74.14 C ATOM 2469 O GLU A 147 14.915 1.694 -4.531 1.00 1.41 O ATOM 2470 CB GLU A 147 17.688 2.702 -5.993 1.00 22.35 C ATOM 2471 CG GLU A 147 18.481 2.934 -7.298 1.00 21.11 C ATOM 2472 CD GLU A 147 19.242 4.273 -7.349 1.00 43.03 C ATOM 2473 OE1 GLU A 147 20.027 4.564 -6.423 1.00 2.31 O ATOM 2474 OE2 GLU A 147 19.055 5.046 -8.313 1.00 24.55 O ATOM 0 H GLU A 147 15.733 2.485 -7.494 1.00 11.33 H new ATOM 0 HA GLU A 147 17.434 0.571 -6.187 1.00 44.35 H new ATOM 0 HB2 GLU A 147 17.064 3.574 -5.798 1.00 22.35 H new ATOM 0 HB3 GLU A 147 18.389 2.619 -5.162 1.00 22.35 H new ATOM 0 HG2 GLU A 147 19.194 2.119 -7.426 1.00 21.11 H new ATOM 0 HG3 GLU A 147 17.792 2.889 -8.141 1.00 21.11 H new ATOM 2481 N LYS A 148 16.744 0.536 -3.763 1.00 51.52 N ATOM 2482 CA LYS A 148 16.188 0.025 -2.487 1.00 63.25 C ATOM 2483 C LYS A 148 15.312 1.046 -1.731 1.00 20.14 C ATOM 2484 O LYS A 148 14.228 0.710 -1.244 1.00 73.15 O ATOM 2485 CB LYS A 148 17.353 -0.443 -1.567 1.00 21.34 C ATOM 2486 CG LYS A 148 16.896 -0.915 -0.174 1.00 50.30 C ATOM 2487 CD LYS A 148 18.053 -1.264 0.776 1.00 61.04 C ATOM 2488 CE LYS A 148 17.541 -1.641 2.171 1.00 40.41 C ATOM 2489 NZ LYS A 148 18.642 -1.981 3.104 1.00 12.12 N ATOM 0 H LYS A 148 17.732 0.312 -3.879 1.00 51.52 H new ATOM 0 HA LYS A 148 15.533 -0.807 -2.747 1.00 63.25 H new ATOM 0 HB2 LYS A 148 17.887 -1.256 -2.058 1.00 21.34 H new ATOM 0 HB3 LYS A 148 18.061 0.377 -1.448 1.00 21.34 H new ATOM 0 HG2 LYS A 148 16.288 -0.134 0.282 1.00 50.30 H new ATOM 0 HG3 LYS A 148 16.257 -1.790 -0.289 1.00 50.30 H new ATOM 0 HD2 LYS A 148 18.628 -2.093 0.362 1.00 61.04 H new ATOM 0 HD3 LYS A 148 18.730 -0.414 0.854 1.00 61.04 H new ATOM 0 HE2 LYS A 148 16.965 -0.811 2.580 1.00 40.41 H new ATOM 0 HE3 LYS A 148 16.863 -2.490 2.089 1.00 40.41 H new ATOM 0 HZ1 LYS A 148 18.246 -2.229 4.033 1.00 12.12 H new ATOM 0 HZ2 LYS A 148 19.177 -2.790 2.729 1.00 12.12 H new ATOM 0 HZ3 LYS A 148 19.276 -1.163 3.205 1.00 12.12 H new ATOM 2503 N LEU A 149 15.822 2.275 -1.628 1.00 44.04 N ATOM 2504 CA LEU A 149 15.164 3.387 -0.917 1.00 51.13 C ATOM 2505 C LEU A 149 15.263 4.677 -1.757 1.00 74.40 C ATOM 2506 O LEU A 149 15.433 5.775 -1.200 1.00 35.53 O ATOM 2507 CB LEU A 149 15.833 3.586 0.482 1.00 53.04 C ATOM 2508 CG LEU A 149 15.660 2.440 1.531 1.00 14.25 C ATOM 2509 CD1 LEU A 149 16.449 2.751 2.819 1.00 41.22 C ATOM 2510 CD2 LEU A 149 14.166 2.165 1.836 1.00 33.13 C ATOM 0 H LEU A 149 16.718 2.536 -2.041 1.00 44.04 H new ATOM 0 HA LEU A 149 14.110 3.152 -0.769 1.00 51.13 H new ATOM 0 HB2 LEU A 149 16.900 3.742 0.326 1.00 53.04 H new ATOM 0 HB3 LEU A 149 15.437 4.504 0.917 1.00 53.04 H new ATOM 0 HG LEU A 149 16.071 1.529 1.097 1.00 14.25 H new ATOM 0 HD11 LEU A 149 16.313 1.939 3.534 1.00 41.22 H new ATOM 0 HD12 LEU A 149 17.508 2.852 2.582 1.00 41.22 H new ATOM 0 HD13 LEU A 149 16.084 3.682 3.253 1.00 41.22 H new ATOM 0 HD21 LEU A 149 14.086 1.362 2.569 1.00 33.13 H new ATOM 0 HD22 LEU A 149 13.704 3.068 2.235 1.00 33.13 H new ATOM 0 HD23 LEU A 149 13.656 1.871 0.919 1.00 33.13 H new ATOM 2522 N ALA A 150 15.123 4.535 -3.101 1.00 14.43 N ATOM 2523 CA ALA A 150 15.217 5.668 -4.052 1.00 43.45 C ATOM 2524 C ALA A 150 14.220 6.804 -3.672 1.00 43.33 C ATOM 2525 O ALA A 150 13.022 6.529 -3.517 1.00 60.22 O ATOM 2526 CB ALA A 150 14.979 5.181 -5.497 1.00 43.32 C ATOM 0 H ALA A 150 14.943 3.637 -3.551 1.00 14.43 H new ATOM 0 HA ALA A 150 16.224 6.080 -3.992 1.00 43.45 H new ATOM 0 HB1 ALA A 150 15.052 6.026 -6.182 1.00 43.32 H new ATOM 0 HB2 ALA A 150 15.731 4.436 -5.758 1.00 43.32 H new ATOM 0 HB3 ALA A 150 13.986 4.737 -5.572 1.00 43.32 H new ATOM 2532 N PRO A 151 14.713 8.087 -3.513 1.00 12.14 N ATOM 2533 CA PRO A 151 13.911 9.240 -2.977 1.00 41.22 C ATOM 2534 C PRO A 151 12.597 9.519 -3.740 1.00 1.54 C ATOM 2535 O PRO A 151 11.681 10.151 -3.201 1.00 4.43 O ATOM 2536 CB PRO A 151 14.892 10.447 -3.089 1.00 64.42 C ATOM 2537 CG PRO A 151 15.962 10.003 -4.046 1.00 3.14 C ATOM 2538 CD PRO A 151 16.107 8.516 -3.819 1.00 31.42 C ATOM 0 HA PRO A 151 13.568 9.034 -1.963 1.00 41.22 H new ATOM 0 HB2 PRO A 151 14.380 11.336 -3.457 1.00 64.42 H new ATOM 0 HB3 PRO A 151 15.315 10.701 -2.117 1.00 64.42 H new ATOM 0 HG2 PRO A 151 15.682 10.218 -5.077 1.00 3.14 H new ATOM 0 HG3 PRO A 151 16.901 10.523 -3.856 1.00 3.14 H new ATOM 0 HD2 PRO A 151 16.501 8.010 -4.700 1.00 31.42 H new ATOM 0 HD3 PRO A 151 16.787 8.298 -2.995 1.00 31.42 H new ATOM 2546 N GLY A 152 12.539 9.050 -4.990 1.00 34.32 N ATOM 2547 CA GLY A 152 11.381 9.215 -5.859 1.00 42.21 C ATOM 2548 C GLY A 152 11.786 9.792 -7.194 1.00 41.13 C ATOM 2549 O GLY A 152 12.978 10.022 -7.443 1.00 33.44 O ATOM 0 H GLY A 152 13.306 8.540 -5.427 1.00 34.32 H new ATOM 0 HA2 GLY A 152 10.893 8.252 -6.008 1.00 42.21 H new ATOM 0 HA3 GLY A 152 10.653 9.871 -5.381 1.00 42.21 H new ATOM 2553 N CYS A 153 10.802 9.990 -8.067 1.00 33.24 N ATOM 2554 CA CYS A 153 10.989 10.649 -9.371 1.00 42.41 C ATOM 2555 C CYS A 153 9.794 11.568 -9.667 1.00 43.13 C ATOM 2556 O CYS A 153 9.952 12.630 -10.280 1.00 52.51 O ATOM 2557 CB CYS A 153 11.133 9.565 -10.451 1.00 31.44 C ATOM 2558 SG CYS A 153 9.777 8.349 -10.436 1.00 61.23 S ATOM 0 H CYS A 153 9.840 9.697 -7.894 1.00 33.24 H new ATOM 0 HA CYS A 153 11.889 11.264 -9.360 1.00 42.41 H new ATOM 0 HB2 CYS A 153 11.174 10.041 -11.431 1.00 31.44 H new ATOM 0 HB3 CYS A 153 12.080 9.044 -10.310 1.00 31.44 H new ATOM 0 HG CYS A 153 10.197 7.224 -10.935 1.00 61.23 H new ATOM 2563 N GLU A 154 8.599 11.146 -9.217 1.00 74.14 N ATOM 2564 CA GLU A 154 7.347 11.914 -9.355 1.00 33.40 C ATOM 2565 C GLU A 154 6.923 12.458 -7.995 1.00 64.35 C ATOM 2566 O GLU A 154 7.122 11.790 -6.992 1.00 52.41 O ATOM 2567 CB GLU A 154 6.243 10.994 -9.933 1.00 1.51 C ATOM 2568 CG GLU A 154 6.542 10.485 -11.353 1.00 73.11 C ATOM 2569 CD GLU A 154 6.664 11.625 -12.372 1.00 34.34 C ATOM 2570 OE1 GLU A 154 5.631 12.254 -12.686 1.00 32.23 O ATOM 2571 OE2 GLU A 154 7.783 11.913 -12.850 1.00 1.54 O ATOM 0 H GLU A 154 8.473 10.252 -8.742 1.00 74.14 H new ATOM 0 HA GLU A 154 7.504 12.753 -10.033 1.00 33.40 H new ATOM 0 HB2 GLU A 154 6.112 10.139 -9.270 1.00 1.51 H new ATOM 0 HB3 GLU A 154 5.298 11.537 -9.943 1.00 1.51 H new ATOM 0 HG2 GLU A 154 7.469 9.911 -11.342 1.00 73.11 H new ATOM 0 HG3 GLU A 154 5.750 9.805 -11.666 1.00 73.11 H new ATOM 2578 N LYS A 155 6.338 13.670 -7.964 1.00 3.33 N ATOM 2579 CA LYS A 155 5.864 14.280 -6.713 1.00 63.24 C ATOM 2580 C LYS A 155 4.621 13.525 -6.176 1.00 44.11 C ATOM 2581 O LYS A 155 3.684 13.215 -6.922 1.00 52.31 O ATOM 2582 CB LYS A 155 5.635 15.834 -6.879 1.00 64.12 C ATOM 2583 CG LYS A 155 4.723 16.308 -8.053 1.00 33.04 C ATOM 2584 CD LYS A 155 3.201 16.258 -7.744 1.00 14.14 C ATOM 2585 CE LYS A 155 2.339 16.633 -8.961 1.00 71.23 C ATOM 2586 NZ LYS A 155 0.883 16.452 -8.698 1.00 21.43 N ATOM 0 H LYS A 155 6.183 14.244 -8.793 1.00 3.33 H new ATOM 0 HA LYS A 155 6.641 14.178 -5.955 1.00 63.24 H new ATOM 0 HB2 LYS A 155 5.210 16.212 -5.949 1.00 64.12 H new ATOM 0 HB3 LYS A 155 6.610 16.306 -6.999 1.00 64.12 H new ATOM 0 HG2 LYS A 155 4.994 17.330 -8.318 1.00 33.04 H new ATOM 0 HG3 LYS A 155 4.925 15.688 -8.927 1.00 33.04 H new ATOM 0 HD2 LYS A 155 2.934 15.255 -7.409 1.00 14.14 H new ATOM 0 HD3 LYS A 155 2.978 16.938 -6.922 1.00 14.14 H new ATOM 0 HE2 LYS A 155 2.531 17.671 -9.234 1.00 71.23 H new ATOM 0 HE3 LYS A 155 2.631 16.020 -9.814 1.00 71.23 H new ATOM 0 HZ1 LYS A 155 0.342 16.717 -9.546 1.00 21.43 H new ATOM 0 HZ2 LYS A 155 0.694 15.457 -8.463 1.00 21.43 H new ATOM 0 HZ3 LYS A 155 0.596 17.056 -7.901 1.00 21.43 H new ATOM 2600 N TYR A 156 4.690 13.159 -4.894 1.00 41.52 N ATOM 2601 CA TYR A 156 3.573 12.592 -4.139 1.00 33.15 C ATOM 2602 C TYR A 156 2.678 13.740 -3.649 1.00 45.35 C ATOM 2603 O TYR A 156 3.162 14.684 -3.012 1.00 52.23 O ATOM 2604 CB TYR A 156 4.109 11.747 -2.941 1.00 44.42 C ATOM 2605 CG TYR A 156 3.025 11.187 -1.995 1.00 12.03 C ATOM 2606 CD1 TYR A 156 1.884 10.547 -2.496 1.00 62.20 C ATOM 2607 CD2 TYR A 156 3.138 11.310 -0.604 1.00 1.21 C ATOM 2608 CE1 TYR A 156 0.909 10.053 -1.648 1.00 0.01 C ATOM 2609 CE2 TYR A 156 2.163 10.814 0.244 1.00 74.20 C ATOM 2610 CZ TYR A 156 1.051 10.187 -0.281 1.00 73.24 C ATOM 2611 OH TYR A 156 0.075 9.696 0.563 1.00 44.50 O ATOM 0 H TYR A 156 5.542 13.251 -4.341 1.00 41.52 H new ATOM 0 HA TYR A 156 2.987 11.929 -4.776 1.00 33.15 H new ATOM 0 HB2 TYR A 156 4.690 10.913 -3.336 1.00 44.42 H new ATOM 0 HB3 TYR A 156 4.793 12.364 -2.359 1.00 44.42 H new ATOM 0 HD1 TYR A 156 1.763 10.437 -3.564 1.00 62.20 H new ATOM 0 HD2 TYR A 156 4.003 11.802 -0.185 1.00 1.21 H new ATOM 0 HE1 TYR A 156 0.037 9.563 -2.055 1.00 0.01 H new ATOM 0 HE2 TYR A 156 2.272 10.917 1.314 1.00 74.20 H new ATOM 0 HH TYR A 156 -0.292 8.867 0.191 1.00 44.50 H new ATOM 2621 N ASN A 157 1.379 13.656 -3.961 1.00 22.55 N ATOM 2622 CA ASN A 157 0.376 14.634 -3.521 1.00 54.54 C ATOM 2623 C ASN A 157 -0.420 14.067 -2.327 1.00 3.24 C ATOM 2624 O ASN A 157 -1.379 13.303 -2.484 1.00 12.15 O ATOM 2625 CB ASN A 157 -0.531 15.054 -4.723 1.00 34.34 C ATOM 2626 CG ASN A 157 -1.133 13.878 -5.495 1.00 74.22 C ATOM 2627 OD1 ASN A 157 -0.471 13.289 -6.353 1.00 61.42 O ATOM 2628 ND2 ASN A 157 -2.391 13.549 -5.235 1.00 51.23 N ATOM 0 H ASN A 157 0.992 12.903 -4.529 1.00 22.55 H new ATOM 0 HA ASN A 157 0.866 15.542 -3.171 1.00 54.54 H new ATOM 0 HB2 ASN A 157 -1.340 15.682 -4.351 1.00 34.34 H new ATOM 0 HB3 ASN A 157 0.055 15.664 -5.411 1.00 34.34 H new ATOM 0 HD21 ASN A 157 -2.837 12.790 -5.751 1.00 51.23 H new ATOM 0 HD22 ASN A 157 -2.913 14.055 -4.519 1.00 51.23 H new ATOM 2635 N LEU A 158 0.079 14.380 -1.126 1.00 11.41 N ATOM 2636 CA LEU A 158 -0.604 14.109 0.152 1.00 23.23 C ATOM 2637 C LEU A 158 -1.582 15.260 0.443 1.00 73.25 C ATOM 2638 O LEU A 158 -2.706 15.051 0.918 1.00 40.21 O ATOM 2639 CB LEU A 158 0.454 13.986 1.279 1.00 3.44 C ATOM 2640 CG LEU A 158 -0.073 13.620 2.704 1.00 20.13 C ATOM 2641 CD1 LEU A 158 -0.711 12.216 2.740 1.00 4.24 C ATOM 2642 CD2 LEU A 158 1.053 13.750 3.742 1.00 25.35 C ATOM 0 H LEU A 158 0.984 14.836 -1.009 1.00 11.41 H new ATOM 0 HA LEU A 158 -1.163 13.175 0.098 1.00 23.23 H new ATOM 0 HB2 LEU A 158 1.181 13.230 0.981 1.00 3.44 H new ATOM 0 HB3 LEU A 158 0.989 14.933 1.348 1.00 3.44 H new ATOM 0 HG LEU A 158 -0.860 14.329 2.960 1.00 20.13 H new ATOM 0 HD11 LEU A 158 -1.064 12.002 3.749 1.00 4.24 H new ATOM 0 HD12 LEU A 158 -1.551 12.180 2.047 1.00 4.24 H new ATOM 0 HD13 LEU A 158 0.031 11.472 2.450 1.00 4.24 H new ATOM 0 HD21 LEU A 158 0.670 13.492 4.729 1.00 25.35 H new ATOM 0 HD22 LEU A 158 1.868 13.075 3.481 1.00 25.35 H new ATOM 0 HD23 LEU A 158 1.421 14.776 3.753 1.00 25.35 H new ATOM 2654 N PHE A 159 -1.111 16.484 0.161 1.00 12.44 N ATOM 2655 CA PHE A 159 -1.928 17.701 0.162 1.00 53.55 C ATOM 2656 C PHE A 159 -1.694 18.421 -1.173 1.00 12.33 C ATOM 2657 O PHE A 159 -0.818 19.289 -1.273 1.00 3.25 O ATOM 2658 CB PHE A 159 -1.568 18.635 1.354 1.00 54.13 C ATOM 2659 CG PHE A 159 -1.770 18.017 2.734 1.00 23.31 C ATOM 2660 CD1 PHE A 159 -3.032 17.997 3.331 1.00 61.10 C ATOM 2661 CD2 PHE A 159 -0.703 17.450 3.433 1.00 22.03 C ATOM 2662 CE1 PHE A 159 -3.216 17.432 4.578 1.00 51.05 C ATOM 2663 CE2 PHE A 159 -0.891 16.886 4.677 1.00 2.55 C ATOM 2664 CZ PHE A 159 -2.147 16.878 5.247 1.00 75.03 C ATOM 0 H PHE A 159 -0.134 16.656 -0.078 1.00 12.44 H new ATOM 0 HA PHE A 159 -2.978 17.434 0.279 1.00 53.55 H new ATOM 0 HB2 PHE A 159 -0.526 18.940 1.257 1.00 54.13 H new ATOM 0 HB3 PHE A 159 -2.172 19.539 1.284 1.00 54.13 H new ATOM 0 HD1 PHE A 159 -3.875 18.429 2.811 1.00 61.10 H new ATOM 0 HD2 PHE A 159 0.283 17.453 2.993 1.00 22.03 H new ATOM 0 HE1 PHE A 159 -4.198 17.425 5.028 1.00 51.05 H new ATOM 0 HE2 PHE A 159 -0.055 16.451 5.205 1.00 2.55 H new ATOM 0 HZ PHE A 159 -2.293 16.436 6.221 1.00 75.03 H new