USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1153 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 128 LYS NZ :NH3+ -149:sc= 1.34 (180deg=1.03) USER MOD Set 1.2: A 130 SER OG : rot 72:sc= 0.598 USER MOD Set 2.1: A 86 THR OG1 : rot -113:sc= 0.14 USER MOD Set 2.2: A 88 HIS : +bothHN:sc= -1.57 K(o=-1.4,f=-5.7!) USER MOD Set 3.1: A 58 MET CE :methyl -142:sc= -2.37 (180deg=-3.16!) USER MOD Set 3.2: A 60 ASN : amide:sc= -2.27! C(o=-6.4!,f=-11!) USER MOD Set 3.3: A 67 THR OG1 : rot 123:sc= -1.04 USER MOD Set 3.4: A 118 TYR OH : rot -152:sc= 1.45 USER MOD Set 3.5: A 127 MET CE :methyl 155:sc= -2.14 (180deg=-3.73!) USER MOD Set 4.1: A 65 LYS NZ :NH3+ -130:sc= 0.842 (180deg=-0.353) USER MOD Set 4.2: A 85 SER OG : rot 180:sc= 0.805 USER MOD Set 5.1: A 43 LYS NZ :NH3+ -177:sc= -0.55 (180deg=-1.45) USER MOD Set 5.2: A 140 TYR OH : rot 180:sc=-0.00622 USER MOD Single : A 2 THR OG1 : rot 25:sc= 0.121 USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0162 (180deg=-0.147) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0401 K(o=-0.04,f=-2.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.09) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -176:sc= -0.907 (180deg=-1.05) USER MOD Single : A 34 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= 1.3 (180deg=0.957) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.17) USER MOD Single : A 47 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.65!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.12) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 155:sc= 0.732 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0444 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -0.994 K(o=-0.99,f=-2.5) USER MOD Single : A 69 HIS : +bothHN:sc= -0.49! C(o=-0.49!,f=-8.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.92) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.16) USER MOD Single : A 91 THR OG1 : rot -120:sc= 0.492 USER MOD Single : A 95 LYS NZ :NH3+ 130:sc= 1.11 (180deg=0.636) USER MOD Single : A 98 ASN : amide:sc= 1.4 K(o=1.4,f=-8.1!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -9:sc= 0.639 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : +bothHN:sc= -0.333! C(o=-0.33!,f=-11!) USER MOD Single : A 106 LYS NZ :NH3+ 145:sc= 1.27 (180deg=1.16) USER MOD Single : A 111 THR OG1 : rot 27:sc= 1.16 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 73:sc= 0.288 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -126:sc= -1.97 (180deg=-6.71!) USER MOD Single : A 132 LYS NZ :NH3+ 173:sc=-0.000109 (180deg=-0.0435) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 136 THR OG1 : rot 36:sc= 1.34 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -165:sc= 0.755 (180deg=0.605) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= -4.17! C(o=-4.2!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.607 -17.318 -0.114 1.00 0.86 N ATOM 211 CA THR A 2 1.830 -16.876 1.023 1.00 0.81 C ATOM 212 C THR A 2 2.483 -15.623 1.586 1.00 0.66 C ATOM 213 O THR A 2 3.709 -15.517 1.591 1.00 0.64 O ATOM 214 CB THR A 2 1.758 -17.965 2.107 1.00 0.86 C ATOM 215 OG1 THR A 2 1.271 -19.186 1.532 1.00 0.99 O ATOM 216 CG2 THR A 2 0.843 -17.545 3.247 1.00 0.92 C ATOM 0 HA THR A 2 0.810 -16.665 0.703 1.00 0.81 H new ATOM 0 HB THR A 2 2.761 -18.114 2.506 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.469 -19.198 0.572 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.812 -18.334 3.998 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.222 -16.629 3.699 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.162 -17.371 2.862 1.00 0.92 H new ATOM 224 N LEU A 3 1.667 -14.674 2.028 1.00 0.59 N ATOM 225 CA LEU A 3 2.173 -13.390 2.497 1.00 0.50 C ATOM 226 C LEU A 3 3.130 -13.581 3.669 1.00 0.49 C ATOM 227 O LEU A 3 2.727 -14.075 4.722 1.00 0.53 O ATOM 228 CB LEU A 3 1.021 -12.487 2.930 1.00 0.49 C ATOM 229 CG LEU A 3 1.055 -11.054 2.388 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.224 -10.147 3.258 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.467 -10.521 2.304 1.00 0.49 C ATOM 0 H LEU A 3 0.652 -14.769 2.072 1.00 0.59 H new ATOM 0 HA LEU A 3 2.709 -12.922 1.672 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.085 -12.950 2.619 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.009 -12.443 4.019 1.00 0.49 H new ATOM 0 HG LEU A 3 0.640 -11.076 1.380 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.257 -9.132 2.862 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.808 -10.499 3.269 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.621 -10.153 4.273 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.449 -9.503 1.915 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.916 -10.522 3.297 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.055 -11.153 1.639 1.00 0.49 H new ATOM 243 N PRO A 4 4.409 -13.205 3.489 1.00 0.50 N ATOM 244 CA PRO A 4 5.404 -13.245 4.559 1.00 0.54 C ATOM 245 C PRO A 4 4.926 -12.471 5.777 1.00 0.47 C ATOM 246 O PRO A 4 4.542 -11.305 5.670 1.00 0.42 O ATOM 247 CB PRO A 4 6.632 -12.571 3.944 1.00 0.60 C ATOM 248 CG PRO A 4 6.460 -12.737 2.475 1.00 0.61 C ATOM 249 CD PRO A 4 4.979 -12.708 2.227 1.00 0.52 C ATOM 0 HA PRO A 4 5.604 -14.259 4.905 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.685 -11.518 4.220 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.554 -13.038 4.290 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.963 -11.938 1.930 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.894 -13.677 2.135 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.630 -11.701 1.998 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.701 -13.341 1.384 1.00 0.52 H new ATOM 257 N ASP A 5 4.937 -13.133 6.923 1.00 0.51 N ATOM 258 CA ASP A 5 4.393 -12.572 8.159 1.00 0.51 C ATOM 259 C ASP A 5 5.038 -11.241 8.530 1.00 0.45 C ATOM 260 O ASP A 5 4.450 -10.451 9.271 1.00 0.44 O ATOM 261 CB ASP A 5 4.551 -13.569 9.309 1.00 0.63 C ATOM 262 CG ASP A 5 3.670 -14.793 9.141 1.00 1.50 C ATOM 263 OD1 ASP A 5 2.554 -14.811 9.702 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.087 -15.744 8.446 1.00 2.19 O ATOM 0 H ASP A 5 5.321 -14.072 7.027 1.00 0.51 H new ATOM 0 HA ASP A 5 3.334 -12.381 7.983 1.00 0.51 H new ATOM 0 HB2 ASP A 5 5.593 -13.881 9.374 1.00 0.63 H new ATOM 0 HB3 ASP A 5 4.307 -13.076 10.250 1.00 0.63 H new ATOM 269 N LYS A 6 6.245 -10.991 8.025 1.00 0.45 N ATOM 270 CA LYS A 6 6.929 -9.720 8.262 1.00 0.45 C ATOM 271 C LYS A 6 6.170 -8.542 7.649 1.00 0.38 C ATOM 272 O LYS A 6 6.360 -7.399 8.065 1.00 0.42 O ATOM 273 CB LYS A 6 8.350 -9.748 7.690 1.00 0.56 C ATOM 274 CG LYS A 6 9.216 -10.882 8.220 1.00 1.10 C ATOM 275 CD LYS A 6 9.294 -10.884 9.742 1.00 1.64 C ATOM 276 CE LYS A 6 9.959 -9.629 10.286 1.00 2.01 C ATOM 277 NZ LYS A 6 11.370 -9.503 9.835 1.00 2.53 N ATOM 0 H LYS A 6 6.769 -11.650 7.450 1.00 0.45 H new ATOM 0 HA LYS A 6 6.971 -9.585 9.343 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.291 -9.828 6.605 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.838 -8.799 7.913 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.813 -11.835 7.877 1.00 1.10 H new ATOM 0 HG3 LYS A 6 10.221 -10.793 7.807 1.00 1.10 H new ATOM 0 HD2 LYS A 6 8.289 -10.969 10.155 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.850 -11.761 10.074 1.00 1.64 H new ATOM 0 HE2 LYS A 6 9.396 -8.753 9.964 1.00 2.01 H new ATOM 0 HE3 LYS A 6 9.927 -9.646 11.375 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.834 -8.734 10.359 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 11.873 -10.396 10.013 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 11.391 -9.291 8.817 1.00 2.53 H new ATOM 291 N PHE A 7 5.317 -8.812 6.667 1.00 0.36 N ATOM 292 CA PHE A 7 4.575 -7.751 6.000 1.00 0.35 C ATOM 293 C PHE A 7 3.224 -7.529 6.669 1.00 0.32 C ATOM 294 O PHE A 7 2.460 -6.669 6.249 1.00 0.35 O ATOM 295 CB PHE A 7 4.360 -8.078 4.516 1.00 0.39 C ATOM 296 CG PHE A 7 5.606 -7.999 3.676 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.429 -6.887 3.744 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.948 -9.026 2.805 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.565 -6.801 2.968 1.00 0.60 C ATOM 300 CE2 PHE A 7 7.085 -8.943 2.028 1.00 0.54 C ATOM 301 CZ PHE A 7 7.894 -7.831 2.111 1.00 0.57 C ATOM 0 H PHE A 7 5.124 -9.751 6.318 1.00 0.36 H new ATOM 0 HA PHE A 7 5.167 -6.840 6.080 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.944 -9.082 4.434 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.618 -7.391 4.109 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.178 -6.077 4.413 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.317 -9.899 2.735 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.197 -5.928 3.031 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.340 -9.749 1.356 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.786 -7.766 1.505 1.00 0.57 H new ATOM 311 N LEU A 8 2.940 -8.293 7.717 1.00 0.30 N ATOM 312 CA LEU A 8 1.634 -8.244 8.354 1.00 0.29 C ATOM 313 C LEU A 8 1.631 -7.321 9.563 1.00 0.29 C ATOM 314 O LEU A 8 2.657 -7.116 10.215 1.00 0.33 O ATOM 315 CB LEU A 8 1.201 -9.649 8.762 1.00 0.34 C ATOM 316 CG LEU A 8 0.984 -10.606 7.596 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.637 -11.994 8.094 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.108 -10.079 6.684 1.00 0.35 C ATOM 0 H LEU A 8 3.595 -8.950 8.141 1.00 0.30 H new ATOM 0 HA LEU A 8 0.925 -7.841 7.631 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.956 -10.070 9.426 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.276 -9.579 9.335 1.00 0.34 H new ATOM 0 HG LEU A 8 1.912 -10.674 7.029 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.487 -12.659 7.243 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.451 -12.373 8.712 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.277 -11.950 8.686 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.255 -10.771 5.854 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.037 -9.984 7.246 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.182 -9.103 6.295 1.00 0.35 H new ATOM 330 N GLY A 9 0.464 -6.770 9.848 1.00 0.32 N ATOM 331 CA GLY A 9 0.308 -5.873 10.969 1.00 0.33 C ATOM 332 C GLY A 9 -0.281 -4.544 10.554 1.00 0.31 C ATOM 333 O GLY A 9 -0.394 -4.251 9.363 1.00 0.52 O ATOM 0 H GLY A 9 -0.390 -6.932 9.314 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.335 -6.337 11.717 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.277 -5.709 11.439 1.00 0.33 H new ATOM 337 N THR A 10 -0.686 -3.752 11.529 1.00 0.34 N ATOM 338 CA THR A 10 -1.174 -2.415 11.273 1.00 0.35 C ATOM 339 C THR A 10 -0.047 -1.412 11.481 1.00 0.32 C ATOM 340 O THR A 10 0.528 -1.331 12.562 1.00 0.40 O ATOM 341 CB THR A 10 -2.363 -2.084 12.190 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.427 -3.017 11.961 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.864 -0.671 11.949 1.00 0.99 C ATOM 0 H THR A 10 -0.685 -4.017 12.514 1.00 0.34 H new ATOM 0 HA THR A 10 -1.519 -2.357 10.241 1.00 0.35 H new ATOM 0 HB THR A 10 -2.025 -2.157 13.224 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.182 -2.803 12.549 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.705 -0.465 12.611 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.062 0.039 12.150 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.186 -0.571 10.912 1.00 0.99 H new ATOM 351 N PHE A 11 0.276 -0.671 10.435 1.00 0.27 N ATOM 352 CA PHE A 11 1.410 0.238 10.459 1.00 0.27 C ATOM 353 C PHE A 11 0.953 1.692 10.388 1.00 0.28 C ATOM 354 O PHE A 11 0.149 2.043 9.522 1.00 0.32 O ATOM 355 CB PHE A 11 2.342 -0.051 9.270 1.00 0.31 C ATOM 356 CG PHE A 11 2.750 -1.491 9.127 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.682 -2.049 9.990 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.203 -2.289 8.135 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.059 -3.372 9.864 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.578 -3.613 8.005 1.00 0.43 C ATOM 361 CZ PHE A 11 3.505 -4.154 8.855 1.00 0.44 C ATOM 0 H PHE A 11 -0.235 -0.681 9.552 1.00 0.27 H new ATOM 0 HA PHE A 11 1.942 0.081 11.397 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.846 0.265 8.352 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.240 0.558 9.373 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.118 -1.442 10.770 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.475 -1.871 7.455 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.781 -3.798 10.546 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.138 -4.223 7.230 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.806 -5.185 8.743 1.00 0.44 H new ATOM 371 N LYS A 12 1.446 2.546 11.293 1.00 0.29 N ATOM 372 CA LYS A 12 1.203 3.981 11.158 1.00 0.33 C ATOM 373 C LYS A 12 2.369 4.671 10.442 1.00 0.27 C ATOM 374 O LYS A 12 3.535 4.450 10.770 1.00 0.69 O ATOM 375 CB LYS A 12 0.961 4.632 12.519 1.00 0.48 C ATOM 376 CG LYS A 12 2.096 4.454 13.510 1.00 0.78 C ATOM 377 CD LYS A 12 1.789 5.133 14.832 1.00 1.28 C ATOM 378 CE LYS A 12 1.605 6.633 14.657 1.00 1.72 C ATOM 379 NZ LYS A 12 1.406 7.328 15.953 1.00 2.19 N ATOM 0 H LYS A 12 2.001 2.275 12.105 1.00 0.29 H new ATOM 0 HA LYS A 12 0.304 4.104 10.555 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.787 5.698 12.372 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.050 4.217 12.950 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.272 3.391 13.677 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.014 4.867 13.092 1.00 0.78 H new ATOM 0 HD2 LYS A 12 0.885 4.702 15.263 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.599 4.944 15.536 1.00 1.28 H new ATOM 0 HE2 LYS A 12 2.478 7.048 14.154 1.00 1.72 H new ATOM 0 HE3 LYS A 12 0.747 6.819 14.011 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 1.285 8.347 15.785 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 0.558 6.951 16.422 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.236 7.173 16.561 1.00 2.19 H new ATOM 393 N LEU A 13 2.042 5.478 9.439 1.00 0.60 N ATOM 394 CA LEU A 13 3.041 6.239 8.691 1.00 0.50 C ATOM 395 C LEU A 13 3.764 7.224 9.606 1.00 0.46 C ATOM 396 O LEU A 13 3.129 7.995 10.335 1.00 0.52 O ATOM 397 CB LEU A 13 2.351 6.990 7.541 1.00 0.52 C ATOM 398 CG LEU A 13 3.242 7.417 6.364 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.379 7.864 5.200 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.186 8.541 6.752 1.00 1.04 C ATOM 0 H LEU A 13 1.084 5.624 9.121 1.00 0.60 H new ATOM 0 HA LEU A 13 3.781 5.550 8.283 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.553 6.358 7.152 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.879 7.882 7.952 1.00 0.52 H new ATOM 0 HG LEU A 13 3.842 6.554 6.075 1.00 0.55 H new ATOM 0 HD11 LEU A 13 3.017 8.165 4.369 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.738 7.041 4.885 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.761 8.708 5.508 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.799 8.814 5.893 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.608 9.407 7.075 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.830 8.210 7.567 1.00 1.04 H new ATOM 412 N GLU A 14 5.093 7.193 9.567 1.00 0.45 N ATOM 413 CA GLU A 14 5.901 8.131 10.335 1.00 0.48 C ATOM 414 C GLU A 14 6.454 9.231 9.436 1.00 0.45 C ATOM 415 O GLU A 14 6.276 10.418 9.705 1.00 0.49 O ATOM 416 CB GLU A 14 7.066 7.422 11.032 1.00 0.55 C ATOM 417 CG GLU A 14 7.886 8.356 11.911 1.00 0.67 C ATOM 418 CD GLU A 14 9.177 7.740 12.405 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.188 7.793 11.673 1.00 2.08 O ATOM 420 OE2 GLU A 14 9.181 7.175 13.518 1.00 1.56 O ATOM 0 H GLU A 14 5.632 6.528 9.012 1.00 0.45 H new ATOM 0 HA GLU A 14 5.251 8.571 11.091 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.676 6.606 11.641 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.716 6.975 10.279 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.116 9.262 11.350 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.284 8.657 12.769 1.00 0.67 H new ATOM 427 N ARG A 15 7.103 8.830 8.352 1.00 0.42 N ATOM 428 CA ARG A 15 7.812 9.772 7.500 1.00 0.44 C ATOM 429 C ARG A 15 7.896 9.237 6.076 1.00 0.37 C ATOM 430 O ARG A 15 7.488 8.106 5.815 1.00 0.38 O ATOM 431 CB ARG A 15 9.216 10.021 8.060 1.00 0.51 C ATOM 432 CG ARG A 15 10.112 8.793 8.023 1.00 0.53 C ATOM 433 CD ARG A 15 11.435 9.046 8.730 1.00 0.77 C ATOM 434 NE ARG A 15 12.447 8.049 8.377 1.00 1.68 N ATOM 435 CZ ARG A 15 12.799 7.016 9.145 1.00 2.34 C ATOM 436 NH1 ARG A 15 12.181 6.781 10.296 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.771 6.206 8.749 1.00 3.36 N ATOM 0 H ARG A 15 7.153 7.859 8.043 1.00 0.42 H new ATOM 0 HA ARG A 15 7.266 10.715 7.481 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.688 10.822 7.492 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.131 10.368 9.090 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.601 7.954 8.495 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.300 8.510 6.987 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.800 10.040 8.471 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.277 9.036 9.808 1.00 0.77 H new ATOM 0 HE ARG A 15 12.918 8.151 7.478 1.00 1.68 H new ATOM 0 HH11 ARG A 15 11.426 7.394 10.604 1.00 2.45 H new ATOM 0 HH12 ARG A 15 12.461 5.987 10.872 1.00 2.45 H new ATOM 0 HH21 ARG A 15 14.245 6.374 7.862 1.00 3.36 H new ATOM 0 HH22 ARG A 15 14.045 5.415 9.332 1.00 3.36 H new ATOM 451 N ASP A 16 8.434 10.040 5.164 1.00 0.38 N ATOM 452 CA ASP A 16 8.556 9.642 3.764 1.00 0.43 C ATOM 453 C ASP A 16 9.498 10.576 3.014 1.00 0.39 C ATOM 454 O ASP A 16 9.991 11.550 3.581 1.00 0.52 O ATOM 455 CB ASP A 16 7.185 9.598 3.071 1.00 0.66 C ATOM 456 CG ASP A 16 6.459 10.928 3.064 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.508 11.097 3.858 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.818 11.801 2.257 1.00 0.72 O ATOM 0 H ASP A 16 8.793 10.972 5.369 1.00 0.38 H new ATOM 0 HA ASP A 16 8.976 8.636 3.746 1.00 0.43 H new ATOM 0 HB2 ASP A 16 7.319 9.263 2.043 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.560 8.857 3.569 1.00 0.66 H new ATOM 463 N GLU A 17 9.751 10.261 1.749 1.00 0.36 N ATOM 464 CA GLU A 17 10.693 11.015 0.926 1.00 0.38 C ATOM 465 C GLU A 17 10.280 10.995 -0.543 1.00 0.40 C ATOM 466 O GLU A 17 9.953 9.935 -1.075 1.00 0.83 O ATOM 467 CB GLU A 17 12.097 10.421 1.063 1.00 0.48 C ATOM 468 CG GLU A 17 12.905 11.000 2.212 1.00 1.18 C ATOM 469 CD GLU A 17 13.356 12.419 1.938 1.00 1.83 C ATOM 470 OE1 GLU A 17 12.717 13.356 2.463 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.346 12.608 1.202 1.00 2.13 O ATOM 0 H GLU A 17 9.311 9.478 1.265 1.00 0.36 H new ATOM 0 HA GLU A 17 10.691 12.048 1.275 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.012 9.343 1.199 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.641 10.583 0.132 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.305 10.981 3.122 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.777 10.372 2.393 1.00 1.18 H new ATOM 478 N ASN A 18 10.283 12.173 -1.177 1.00 0.34 N ATOM 479 CA ASN A 18 10.085 12.304 -2.631 1.00 0.30 C ATOM 480 C ASN A 18 8.632 12.003 -3.028 1.00 0.28 C ATOM 481 O ASN A 18 8.331 11.667 -4.181 1.00 0.27 O ATOM 482 CB ASN A 18 11.059 11.375 -3.375 1.00 0.32 C ATOM 483 CG ASN A 18 11.223 11.723 -4.843 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.097 12.879 -5.240 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.525 10.724 -5.655 1.00 0.66 N ATOM 0 H ASN A 18 10.422 13.064 -0.700 1.00 0.34 H new ATOM 0 HA ASN A 18 10.292 13.336 -2.915 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.033 11.418 -2.888 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.705 10.347 -3.290 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.662 10.899 -6.650 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.621 9.778 -5.286 1.00 0.66 H new ATOM 492 N PHE A 19 7.728 12.161 -2.071 1.00 0.30 N ATOM 493 CA PHE A 19 6.328 11.817 -2.289 1.00 0.31 C ATOM 494 C PHE A 19 5.645 12.836 -3.195 1.00 0.31 C ATOM 495 O PHE A 19 4.845 12.471 -4.059 1.00 0.32 O ATOM 496 CB PHE A 19 5.573 11.698 -0.962 1.00 0.37 C ATOM 497 CG PHE A 19 4.177 11.168 -1.129 1.00 0.36 C ATOM 498 CD1 PHE A 19 3.969 9.876 -1.581 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.073 11.958 -0.847 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.692 9.380 -1.751 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.792 11.465 -1.011 1.00 0.48 C ATOM 502 CZ PHE A 19 1.601 10.173 -1.464 1.00 0.44 C ATOM 0 H PHE A 19 7.936 12.523 -1.141 1.00 0.30 H new ATOM 0 HA PHE A 19 6.305 10.846 -2.785 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.128 11.041 -0.292 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.530 12.677 -0.485 1.00 0.37 H new ATOM 0 HD1 PHE A 19 4.818 9.247 -1.804 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.215 12.969 -0.495 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.547 8.371 -2.109 1.00 0.49 H new ATOM 0 HE2 PHE A 19 0.940 12.089 -0.785 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.601 9.786 -1.593 1.00 0.44 H new ATOM 512 N ASP A 20 5.957 14.111 -2.998 1.00 0.33 N ATOM 513 CA ASP A 20 5.372 15.177 -3.807 1.00 0.37 C ATOM 514 C ASP A 20 5.703 14.982 -5.282 1.00 0.33 C ATOM 515 O ASP A 20 4.820 15.034 -6.140 1.00 0.33 O ATOM 516 CB ASP A 20 5.877 16.541 -3.340 1.00 0.46 C ATOM 517 CG ASP A 20 5.168 17.687 -4.029 1.00 1.08 C ATOM 518 OD1 ASP A 20 5.680 18.176 -5.059 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.086 18.091 -3.565 1.00 2.04 O ATOM 0 H ASP A 20 6.612 14.434 -2.285 1.00 0.33 H new ATOM 0 HA ASP A 20 4.290 15.137 -3.684 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.738 16.627 -2.262 1.00 0.46 H new ATOM 0 HB3 ASP A 20 6.948 16.613 -3.530 1.00 0.46 H new ATOM 524 N GLU A 21 6.980 14.744 -5.566 1.00 0.34 N ATOM 525 CA GLU A 21 7.430 14.512 -6.934 1.00 0.35 C ATOM 526 C GLU A 21 6.702 13.323 -7.553 1.00 0.31 C ATOM 527 O GLU A 21 6.367 13.342 -8.741 1.00 0.34 O ATOM 528 CB GLU A 21 8.935 14.284 -6.975 1.00 0.41 C ATOM 529 CG GLU A 21 9.740 15.493 -6.532 1.00 0.51 C ATOM 530 CD GLU A 21 9.481 16.720 -7.382 1.00 1.14 C ATOM 531 OE1 GLU A 21 9.889 16.727 -8.562 1.00 1.65 O ATOM 532 OE2 GLU A 21 8.887 17.694 -6.876 1.00 1.79 O ATOM 0 H GLU A 21 7.721 14.707 -4.867 1.00 0.34 H new ATOM 0 HA GLU A 21 7.196 15.402 -7.518 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.184 13.437 -6.336 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.227 14.014 -7.990 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.502 15.721 -5.493 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.802 15.249 -6.569 1.00 0.51 H new ATOM 539 N TYR A 22 6.462 12.288 -6.747 1.00 0.29 N ATOM 540 CA TYR A 22 5.675 11.141 -7.195 1.00 0.28 C ATOM 541 C TYR A 22 4.275 11.580 -7.616 1.00 0.30 C ATOM 542 O TYR A 22 3.744 11.117 -8.629 1.00 0.33 O ATOM 543 CB TYR A 22 5.581 10.085 -6.087 1.00 0.30 C ATOM 544 CG TYR A 22 4.634 8.951 -6.410 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.329 8.955 -5.934 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.038 7.883 -7.202 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.455 7.930 -6.235 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.170 6.852 -7.504 1.00 0.44 C ATOM 549 CZ TYR A 22 2.880 6.881 -7.019 1.00 0.50 C ATOM 550 OH TYR A 22 2.012 5.858 -7.325 1.00 0.57 O ATOM 0 H TYR A 22 6.799 12.221 -5.787 1.00 0.29 H new ATOM 0 HA TYR A 22 6.178 10.702 -8.057 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.574 9.676 -5.901 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.257 10.566 -5.164 1.00 0.30 H new ATOM 0 HD1 TYR A 22 2.992 9.775 -5.317 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.047 7.859 -7.587 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.443 7.951 -5.858 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.500 6.027 -8.117 1.00 0.44 H new ATOM 0 HH TYR A 22 2.469 5.198 -7.887 1.00 0.57 H new ATOM 560 N LEU A 23 3.688 12.489 -6.846 1.00 0.28 N ATOM 561 CA LEU A 23 2.340 12.969 -7.113 1.00 0.30 C ATOM 562 C LEU A 23 2.293 13.702 -8.449 1.00 0.34 C ATOM 563 O LEU A 23 1.355 13.535 -9.226 1.00 0.37 O ATOM 564 CB LEU A 23 1.869 13.885 -5.981 1.00 0.30 C ATOM 565 CG LEU A 23 1.738 13.202 -4.616 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.253 14.186 -3.566 1.00 0.33 C ATOM 567 CD2 LEU A 23 0.794 12.016 -4.705 1.00 0.32 C ATOM 0 H LEU A 23 4.129 12.909 -6.028 1.00 0.28 H new ATOM 0 HA LEU A 23 1.668 12.112 -7.166 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.568 14.716 -5.890 1.00 0.30 H new ATOM 0 HB3 LEU A 23 0.903 14.309 -6.254 1.00 0.30 H new ATOM 0 HG LEU A 23 2.723 12.842 -4.319 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.167 13.679 -2.605 1.00 0.33 H new ATOM 0 HD12 LEU A 23 1.964 15.008 -3.481 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.279 14.578 -3.858 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.712 11.542 -3.727 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -0.190 12.357 -5.026 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.181 11.296 -5.426 1.00 0.32 H new ATOM 579 N LYS A 24 3.330 14.487 -8.720 1.00 0.34 N ATOM 580 CA LYS A 24 3.435 15.219 -9.979 1.00 0.39 C ATOM 581 C LYS A 24 3.511 14.252 -11.151 1.00 0.40 C ATOM 582 O LYS A 24 2.825 14.418 -12.158 1.00 0.44 O ATOM 583 CB LYS A 24 4.682 16.100 -9.975 1.00 0.41 C ATOM 584 CG LYS A 24 4.666 17.202 -8.934 1.00 0.45 C ATOM 585 CD LYS A 24 5.994 17.934 -8.899 1.00 0.55 C ATOM 586 CE LYS A 24 5.974 19.093 -7.918 1.00 1.35 C ATOM 587 NZ LYS A 24 7.322 19.692 -7.757 1.00 1.88 N ATOM 0 H LYS A 24 4.113 14.634 -8.083 1.00 0.34 H new ATOM 0 HA LYS A 24 2.548 15.844 -10.084 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.556 15.471 -9.807 1.00 0.41 H new ATOM 0 HB3 LYS A 24 4.798 16.550 -10.961 1.00 0.41 H new ATOM 0 HG2 LYS A 24 3.864 17.906 -9.156 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.454 16.777 -7.953 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.786 17.238 -8.623 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.230 18.306 -9.896 1.00 0.55 H new ATOM 0 HE2 LYS A 24 5.276 19.854 -8.266 1.00 1.35 H new ATOM 0 HE3 LYS A 24 5.611 18.746 -6.951 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.349 20.257 -6.884 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.034 18.936 -7.702 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 7.530 20.304 -8.572 1.00 1.88 H new ATOM 601 N ALA A 25 4.355 13.239 -10.997 1.00 0.40 N ATOM 602 CA ALA A 25 4.545 12.226 -12.028 1.00 0.43 C ATOM 603 C ALA A 25 3.234 11.516 -12.348 1.00 0.43 C ATOM 604 O ALA A 25 2.924 11.256 -13.510 1.00 0.44 O ATOM 605 CB ALA A 25 5.602 11.223 -11.591 1.00 0.43 C ATOM 0 H ALA A 25 4.923 13.097 -10.162 1.00 0.40 H new ATOM 0 HA ALA A 25 4.887 12.724 -12.936 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.735 10.472 -12.370 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.546 11.740 -11.421 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.283 10.737 -10.669 1.00 0.43 H new ATOM 611 N ARG A 26 2.459 11.232 -11.308 1.00 0.43 N ATOM 612 CA ARG A 26 1.175 10.550 -11.463 1.00 0.45 C ATOM 613 C ARG A 26 0.111 11.473 -12.051 1.00 0.47 C ATOM 614 O ARG A 26 -0.986 11.033 -12.385 1.00 0.51 O ATOM 615 CB ARG A 26 0.710 9.982 -10.123 1.00 0.48 C ATOM 616 CG ARG A 26 1.327 8.632 -9.798 1.00 0.85 C ATOM 617 CD ARG A 26 0.700 7.523 -10.629 1.00 0.72 C ATOM 618 NE ARG A 26 -0.649 7.199 -10.170 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.704 7.017 -10.966 1.00 0.78 C ATOM 620 NH1 ARG A 26 -1.593 7.123 -12.287 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.876 6.713 -10.426 1.00 1.06 N ATOM 0 H ARG A 26 2.697 11.464 -10.344 1.00 0.43 H new ATOM 0 HA ARG A 26 1.320 9.729 -12.165 1.00 0.45 H new ATOM 0 HB2 ARG A 26 0.959 10.688 -9.331 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.376 9.885 -10.134 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.400 8.666 -9.984 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.194 8.415 -8.738 1.00 0.85 H new ATOM 0 HD2 ARG A 26 0.665 7.828 -11.675 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.326 6.632 -10.577 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.795 7.105 -9.165 1.00 0.76 H new ATOM 0 HH11 ARG A 26 -0.691 7.347 -12.707 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -2.410 6.981 -12.881 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.963 6.621 -9.414 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.691 6.571 -11.023 1.00 1.06 H new ATOM 635 N GLY A 27 0.438 12.752 -12.173 1.00 0.46 N ATOM 636 CA GLY A 27 -0.469 13.684 -12.807 1.00 0.49 C ATOM 637 C GLY A 27 -1.313 14.447 -11.813 1.00 0.50 C ATOM 638 O GLY A 27 -2.280 15.105 -12.194 1.00 0.62 O ATOM 0 H GLY A 27 1.314 13.159 -11.845 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.104 14.390 -13.408 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.122 13.141 -13.490 1.00 0.49 H new ATOM 642 N TYR A 28 -0.950 14.375 -10.541 1.00 0.48 N ATOM 643 CA TYR A 28 -1.691 15.068 -9.502 1.00 0.53 C ATOM 644 C TYR A 28 -1.281 16.529 -9.437 1.00 0.56 C ATOM 645 O TYR A 28 -0.097 16.850 -9.312 1.00 0.54 O ATOM 646 CB TYR A 28 -1.472 14.397 -8.145 1.00 0.51 C ATOM 647 CG TYR A 28 -2.164 13.061 -8.023 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.427 11.888 -8.020 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.545 12.970 -7.917 1.00 0.59 C ATOM 650 CE1 TYR A 28 -2.038 10.659 -7.905 1.00 0.54 C ATOM 651 CE2 TYR A 28 -4.170 11.742 -7.805 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.464 10.614 -7.803 1.00 0.60 C ATOM 653 OH TYR A 28 -4.028 9.364 -7.665 1.00 0.64 O ATOM 0 H TYR A 28 -0.147 13.843 -10.205 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.751 15.015 -9.748 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.403 14.261 -7.983 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.832 15.059 -7.357 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.352 11.938 -8.110 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -4.140 13.871 -7.922 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.454 9.751 -7.892 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -5.246 11.698 -7.718 1.00 0.63 H new ATOM 0 HH TYR A 28 -5.002 9.450 -7.603 1.00 0.64 H new ATOM 663 N GLY A 29 -2.269 17.405 -9.540 1.00 0.68 N ATOM 664 CA GLY A 29 -2.011 18.829 -9.523 1.00 0.80 C ATOM 665 C GLY A 29 -1.690 19.356 -8.138 1.00 0.88 C ATOM 666 O GLY A 29 -1.666 18.600 -7.165 1.00 1.54 O ATOM 0 H GLY A 29 -3.252 17.152 -9.636 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.179 19.050 -10.192 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.882 19.355 -9.913 1.00 0.80 H new ATOM 670 N TRP A 30 -1.467 20.661 -8.063 1.00 0.54 N ATOM 671 CA TRP A 30 -1.074 21.333 -6.830 1.00 0.56 C ATOM 672 C TRP A 30 -2.045 21.027 -5.691 1.00 0.54 C ATOM 673 O TRP A 30 -1.624 20.653 -4.598 1.00 0.52 O ATOM 674 CB TRP A 30 -0.991 22.842 -7.085 1.00 0.65 C ATOM 675 CG TRP A 30 -0.708 23.663 -5.865 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.513 23.963 -5.335 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.676 24.305 -5.031 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.361 24.749 -4.217 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.978 24.973 -4.011 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.071 24.375 -5.053 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -1.629 25.703 -3.021 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.714 25.096 -4.071 1.00 1.07 C ATOM 683 CH2 TRP A 30 -2.997 25.754 -3.068 1.00 1.18 C ATOM 0 H TRP A 30 -1.554 21.289 -8.862 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.096 20.961 -6.524 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.212 23.031 -7.823 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.932 23.176 -7.522 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.460 23.632 -5.735 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.119 25.107 -3.636 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.635 23.873 -5.825 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.076 26.211 -2.244 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.792 25.154 -4.076 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -3.532 26.314 -2.315 1.00 1.18 H new ATOM 694 N ILE A 31 -3.340 21.175 -5.959 1.00 0.60 N ATOM 695 CA ILE A 31 -4.372 20.896 -4.967 1.00 0.63 C ATOM 696 C ILE A 31 -4.258 19.477 -4.433 1.00 0.53 C ATOM 697 O ILE A 31 -4.234 19.259 -3.222 1.00 0.51 O ATOM 698 CB ILE A 31 -5.786 21.129 -5.550 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.225 22.562 -5.273 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.802 20.143 -4.977 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.384 22.848 -3.800 1.00 2.16 C ATOM 0 H ILE A 31 -3.700 21.488 -6.860 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.218 21.589 -4.140 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.741 20.963 -6.626 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.493 23.250 -5.696 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.171 22.752 -5.780 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.783 20.338 -5.410 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.496 19.125 -5.216 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.853 20.261 -3.895 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.698 23.883 -3.662 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.137 22.181 -3.379 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.432 22.687 -3.293 1.00 2.16 H new ATOM 713 N MET A 32 -4.186 18.524 -5.340 1.00 0.48 N ATOM 714 CA MET A 32 -4.024 17.132 -4.964 1.00 0.43 C ATOM 715 C MET A 32 -2.773 16.955 -4.119 1.00 0.38 C ATOM 716 O MET A 32 -2.803 16.284 -3.094 1.00 0.39 O ATOM 717 CB MET A 32 -3.965 16.238 -6.201 1.00 0.48 C ATOM 718 CG MET A 32 -5.306 16.092 -6.899 1.00 0.55 C ATOM 719 SD MET A 32 -6.106 14.503 -6.603 1.00 0.97 S ATOM 720 CE MET A 32 -6.365 14.551 -4.834 1.00 0.48 C ATOM 0 H MET A 32 -4.237 18.687 -6.346 1.00 0.48 H new ATOM 0 HA MET A 32 -4.890 16.835 -4.372 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.240 16.649 -6.904 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.604 15.251 -5.911 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.969 16.890 -6.565 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.164 16.223 -7.972 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.787 13.602 -4.502 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.413 14.720 -4.331 1.00 0.48 H new ATOM 0 HE3 MET A 32 -7.053 15.360 -4.589 1.00 0.48 H new ATOM 730 N ARG A 33 -1.688 17.597 -4.526 1.00 0.39 N ATOM 731 CA ARG A 33 -0.439 17.524 -3.778 1.00 0.41 C ATOM 732 C ARG A 33 -0.584 18.157 -2.397 1.00 0.45 C ATOM 733 O ARG A 33 0.173 17.835 -1.484 1.00 0.60 O ATOM 734 CB ARG A 33 0.700 18.192 -4.547 1.00 0.49 C ATOM 735 CG ARG A 33 1.063 17.471 -5.833 1.00 0.90 C ATOM 736 CD ARG A 33 2.342 18.018 -6.439 1.00 0.71 C ATOM 737 NE ARG A 33 2.205 19.409 -6.876 1.00 0.77 N ATOM 738 CZ ARG A 33 2.837 20.443 -6.316 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.614 20.265 -5.255 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.693 21.660 -6.825 1.00 1.03 N ATOM 0 H ARG A 33 -1.646 18.173 -5.367 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.198 16.469 -3.648 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.417 19.218 -4.782 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.580 18.243 -3.906 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.181 16.406 -5.633 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.248 17.572 -6.550 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.146 17.948 -5.707 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.631 17.400 -7.289 1.00 0.71 H new ATOM 0 HE ARG A 33 1.584 19.601 -7.662 1.00 0.77 H new ATOM 0 HH11 ARG A 33 3.732 19.332 -4.860 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.093 21.061 -4.834 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.100 21.804 -7.643 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.175 22.451 -6.399 1.00 1.03 H new ATOM 754 N GLN A 34 -1.552 19.054 -2.239 1.00 0.41 N ATOM 755 CA GLN A 34 -1.810 19.665 -0.941 1.00 0.46 C ATOM 756 C GLN A 34 -2.585 18.709 -0.042 1.00 0.47 C ATOM 757 O GLN A 34 -2.441 18.737 1.177 1.00 0.58 O ATOM 758 CB GLN A 34 -2.597 20.972 -1.083 1.00 0.51 C ATOM 759 CG GLN A 34 -1.886 22.052 -1.881 1.00 0.80 C ATOM 760 CD GLN A 34 -0.466 22.293 -1.412 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.224 23.081 -0.494 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.487 21.639 -2.054 1.00 1.97 N ATOM 0 H GLN A 34 -2.167 19.372 -2.988 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.842 19.886 -0.491 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.553 20.756 -1.560 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.817 21.359 -0.088 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.873 21.769 -2.934 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.450 22.982 -1.808 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.245 20.996 -2.808 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.464 21.778 -1.795 1.00 1.97 H new ATOM 771 N VAL A 35 -3.416 17.875 -0.640 1.00 0.42 N ATOM 772 CA VAL A 35 -4.229 16.942 0.122 1.00 0.42 C ATOM 773 C VAL A 35 -3.487 15.628 0.356 1.00 0.40 C ATOM 774 O VAL A 35 -3.165 15.279 1.491 1.00 0.44 O ATOM 775 CB VAL A 35 -5.558 16.657 -0.609 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.399 15.651 0.154 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.337 17.945 -0.832 1.00 0.65 C ATOM 0 H VAL A 35 -3.546 17.824 -1.650 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.439 17.403 1.087 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.318 16.226 -1.581 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.329 15.470 -0.385 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.848 14.715 0.251 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.625 16.043 1.146 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.270 17.721 -1.349 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.557 18.408 0.130 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.743 18.630 -1.437 1.00 0.65 H new ATOM 787 N ILE A 36 -3.225 14.920 -0.737 1.00 0.38 N ATOM 788 CA ILE A 36 -2.570 13.610 -0.727 1.00 0.39 C ATOM 789 C ILE A 36 -1.321 13.568 0.154 1.00 0.46 C ATOM 790 O ILE A 36 -1.147 12.653 0.958 1.00 0.51 O ATOM 791 CB ILE A 36 -2.175 13.218 -2.155 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.359 13.417 -3.101 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.737 11.779 -2.177 1.00 0.48 C ATOM 794 CD1 ILE A 36 -3.055 13.093 -4.544 1.00 0.51 C ATOM 0 H ILE A 36 -3.465 15.243 -1.674 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.291 12.907 -0.310 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.352 13.852 -2.486 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -4.187 12.792 -2.766 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.693 14.452 -3.035 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.456 11.500 -3.192 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.881 11.649 -1.515 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.556 11.144 -1.840 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.946 13.260 -5.150 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.249 13.735 -4.899 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.750 12.050 -4.626 1.00 0.51 H new ATOM 806 N LYS A 37 -0.470 14.570 0.013 1.00 0.52 N ATOM 807 CA LYS A 37 0.819 14.580 0.676 1.00 0.67 C ATOM 808 C LYS A 37 0.684 14.892 2.171 1.00 0.66 C ATOM 809 O LYS A 37 1.575 14.586 2.966 1.00 0.79 O ATOM 810 CB LYS A 37 1.710 15.599 -0.030 1.00 0.91 C ATOM 811 CG LYS A 37 3.069 15.776 0.604 1.00 0.75 C ATOM 812 CD LYS A 37 3.934 16.737 -0.193 1.00 0.94 C ATOM 813 CE LYS A 37 3.317 18.122 -0.269 1.00 0.70 C ATOM 814 NZ LYS A 37 4.152 19.056 -1.069 1.00 0.97 N ATOM 0 H LYS A 37 -0.653 15.393 -0.561 1.00 0.52 H new ATOM 0 HA LYS A 37 1.270 13.590 0.613 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.843 15.292 -1.067 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.200 16.562 -0.045 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.951 16.149 1.621 1.00 0.75 H new ATOM 0 HG3 LYS A 37 3.567 14.809 0.675 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.921 16.803 0.266 1.00 0.94 H new ATOM 0 HD3 LYS A 37 4.077 16.347 -1.201 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.323 18.053 -0.711 1.00 0.70 H new ATOM 0 HE3 LYS A 37 3.191 18.519 0.738 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.902 20.037 -0.829 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.157 18.893 -0.856 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 3.982 18.893 -2.082 1.00 0.97 H new ATOM 828 N LEU A 38 -0.445 15.460 2.560 1.00 0.63 N ATOM 829 CA LEU A 38 -0.650 15.867 3.947 1.00 0.70 C ATOM 830 C LEU A 38 -1.580 14.902 4.671 1.00 0.65 C ATOM 831 O LEU A 38 -1.893 15.088 5.846 1.00 0.91 O ATOM 832 CB LEU A 38 -1.203 17.297 4.028 1.00 0.82 C ATOM 833 CG LEU A 38 -0.186 18.428 3.804 1.00 1.08 C ATOM 834 CD1 LEU A 38 0.968 18.324 4.791 1.00 2.08 C ATOM 835 CD2 LEU A 38 0.333 18.427 2.375 1.00 1.61 C ATOM 0 H LEU A 38 -1.233 15.651 1.941 1.00 0.63 H new ATOM 0 HA LEU A 38 0.322 15.845 4.441 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -1.999 17.400 3.290 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -1.658 17.434 5.009 1.00 0.82 H new ATOM 0 HG LEU A 38 -0.701 19.373 3.975 1.00 1.08 H new ATOM 0 HD11 LEU A 38 1.674 19.135 4.612 1.00 2.08 H new ATOM 0 HD12 LEU A 38 0.584 18.395 5.809 1.00 2.08 H new ATOM 0 HD13 LEU A 38 1.474 17.367 4.660 1.00 2.08 H new ATOM 0 HD21 LEU A 38 1.050 19.238 2.248 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.821 17.475 2.166 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.499 18.567 1.685 1.00 1.61 H new ATOM 847 N ALA A 39 -2.009 13.866 3.967 1.00 0.52 N ATOM 848 CA ALA A 39 -2.892 12.866 4.537 1.00 0.53 C ATOM 849 C ALA A 39 -2.098 11.813 5.299 1.00 0.60 C ATOM 850 O ALA A 39 -1.148 11.233 4.769 1.00 1.03 O ATOM 851 CB ALA A 39 -3.714 12.211 3.438 1.00 0.55 C ATOM 0 H ALA A 39 -1.757 13.697 2.993 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.564 13.360 5.239 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.374 11.462 3.875 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.311 12.968 2.930 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.047 11.733 2.721 1.00 0.55 H new ATOM 857 N GLY A 40 -2.474 11.594 6.551 1.00 0.43 N ATOM 858 CA GLY A 40 -1.880 10.528 7.330 1.00 0.46 C ATOM 859 C GLY A 40 -2.421 9.184 6.907 1.00 0.46 C ATOM 860 O GLY A 40 -3.608 9.059 6.596 1.00 0.84 O ATOM 0 H GLY A 40 -3.183 12.138 7.042 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.797 10.543 7.208 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.083 10.689 8.389 1.00 0.46 H new ATOM 864 N VAL A 41 -1.570 8.173 6.898 1.00 0.44 N ATOM 865 CA VAL A 41 -1.937 6.890 6.326 1.00 0.45 C ATOM 866 C VAL A 41 -1.659 5.745 7.287 1.00 0.36 C ATOM 867 O VAL A 41 -0.586 5.660 7.885 1.00 0.41 O ATOM 868 CB VAL A 41 -1.180 6.625 5.014 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.756 5.413 4.303 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.204 7.846 4.108 1.00 1.30 C ATOM 0 H VAL A 41 -0.625 8.215 7.278 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.008 6.938 6.127 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.139 6.417 5.261 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.208 5.240 3.377 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.667 4.537 4.946 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.807 5.590 4.075 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.661 7.628 3.189 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.236 8.101 3.868 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.732 8.686 4.617 1.00 1.30 H new ATOM 880 N THR A 42 -2.638 4.871 7.426 1.00 0.31 N ATOM 881 CA THR A 42 -2.485 3.666 8.213 1.00 0.30 C ATOM 882 C THR A 42 -2.633 2.435 7.323 1.00 0.29 C ATOM 883 O THR A 42 -3.699 2.191 6.755 1.00 0.32 O ATOM 884 CB THR A 42 -3.529 3.615 9.344 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.489 4.838 10.092 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.272 2.439 10.272 1.00 0.45 C ATOM 0 H THR A 42 -3.558 4.977 6.998 1.00 0.31 H new ATOM 0 HA THR A 42 -1.489 3.674 8.657 1.00 0.30 H new ATOM 0 HB THR A 42 -4.515 3.489 8.896 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.155 4.804 10.810 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.024 2.427 11.061 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.326 1.510 9.705 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.281 2.536 10.716 1.00 0.45 H new ATOM 894 N LYS A 43 -1.552 1.683 7.178 1.00 0.31 N ATOM 895 CA LYS A 43 -1.575 0.462 6.385 1.00 0.35 C ATOM 896 C LYS A 43 -1.942 -0.717 7.275 1.00 0.33 C ATOM 897 O LYS A 43 -1.435 -0.836 8.387 1.00 0.41 O ATOM 898 CB LYS A 43 -0.213 0.219 5.726 1.00 0.50 C ATOM 899 CG LYS A 43 0.144 1.221 4.634 1.00 0.77 C ATOM 900 CD LYS A 43 -0.835 1.154 3.473 1.00 0.53 C ATOM 901 CE LYS A 43 -0.297 1.851 2.234 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.290 3.329 2.364 1.00 0.79 N ATOM 0 H LYS A 43 -0.648 1.896 7.599 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.322 0.568 5.598 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.559 0.247 6.495 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.203 -0.784 5.300 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.147 2.228 5.050 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.153 1.022 4.272 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -1.049 0.111 3.238 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.778 1.614 3.767 1.00 0.53 H new ATOM 0 HE2 LYS A 43 0.717 1.503 2.038 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.902 1.569 1.372 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 0.038 3.754 1.473 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.252 3.664 2.574 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 0.349 3.607 3.136 1.00 0.79 H new ATOM 916 N LYS A 44 -2.832 -1.572 6.802 1.00 0.31 N ATOM 917 CA LYS A 44 -3.295 -2.695 7.602 1.00 0.35 C ATOM 918 C LYS A 44 -3.195 -4.001 6.832 1.00 0.34 C ATOM 919 O LYS A 44 -4.037 -4.293 5.985 1.00 0.47 O ATOM 920 CB LYS A 44 -4.745 -2.479 8.035 1.00 0.44 C ATOM 921 CG LYS A 44 -4.961 -1.232 8.878 1.00 0.90 C ATOM 922 CD LYS A 44 -6.434 -1.010 9.183 1.00 0.88 C ATOM 923 CE LYS A 44 -7.015 -2.143 10.018 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.475 -1.979 10.224 1.00 1.96 N ATOM 0 H LYS A 44 -3.248 -1.512 5.872 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.654 -2.756 8.481 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.373 -2.417 7.146 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.078 -3.349 8.601 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.405 -1.323 9.811 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.563 -0.364 8.353 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.557 -0.066 9.715 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.990 -0.925 8.249 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.822 -3.095 9.524 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.513 -2.177 10.985 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.842 -2.786 10.768 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.655 -1.098 10.747 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.953 -1.937 9.301 1.00 1.96 H new ATOM 938 N PHE A 45 -2.176 -4.786 7.135 1.00 0.29 N ATOM 939 CA PHE A 45 -2.038 -6.106 6.550 1.00 0.29 C ATOM 940 C PHE A 45 -2.510 -7.151 7.541 1.00 0.30 C ATOM 941 O PHE A 45 -1.999 -7.233 8.660 1.00 0.37 O ATOM 942 CB PHE A 45 -0.597 -6.399 6.149 1.00 0.32 C ATOM 943 CG PHE A 45 -0.158 -5.726 4.883 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.425 -4.468 4.926 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.342 -6.333 3.653 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.819 -3.832 3.768 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.051 -5.702 2.490 1.00 0.52 C ATOM 948 CZ PHE A 45 0.675 -4.511 2.531 1.00 0.54 C ATOM 0 H PHE A 45 -1.432 -4.531 7.784 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.650 -6.138 5.648 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.063 -6.089 6.959 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.476 -7.476 6.034 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.572 -3.981 5.879 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.798 -7.311 3.603 1.00 0.44 H new ATOM 0 HE1 PHE A 45 1.230 -2.834 3.802 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.145 -6.170 1.536 1.00 0.52 H new ATOM 0 HZ PHE A 45 1.065 -4.073 1.624 1.00 0.54 H new ATOM 958 N ARG A 46 -3.490 -7.933 7.141 1.00 0.31 N ATOM 959 CA ARG A 46 -4.041 -8.959 8.002 1.00 0.33 C ATOM 960 C ARG A 46 -4.555 -10.121 7.175 1.00 0.31 C ATOM 961 O ARG A 46 -4.788 -9.987 5.978 1.00 0.33 O ATOM 962 CB ARG A 46 -5.179 -8.377 8.850 1.00 0.39 C ATOM 963 CG ARG A 46 -6.360 -7.887 8.027 1.00 0.50 C ATOM 964 CD ARG A 46 -7.421 -7.221 8.887 1.00 0.64 C ATOM 965 NE ARG A 46 -8.022 -8.144 9.851 1.00 1.51 N ATOM 966 CZ ARG A 46 -9.160 -7.904 10.502 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.847 -6.794 10.263 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.622 -8.788 11.374 1.00 3.17 N ATOM 0 H ARG A 46 -3.924 -7.877 6.220 1.00 0.31 H new ATOM 0 HA ARG A 46 -3.253 -9.321 8.663 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.525 -9.137 9.550 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.792 -7.549 9.444 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -6.009 -7.181 7.275 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.803 -8.728 7.493 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -6.976 -6.381 9.421 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -8.201 -6.813 8.245 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.541 -9.024 10.036 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.505 -6.120 9.578 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.717 -6.615 10.764 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.107 -9.651 11.547 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.493 -8.605 11.873 1.00 3.17 H new ATOM 982 N ASN A 47 -4.694 -11.261 7.818 1.00 0.33 N ATOM 983 CA ASN A 47 -5.344 -12.407 7.201 1.00 0.37 C ATOM 984 C ASN A 47 -6.826 -12.096 7.034 1.00 0.39 C ATOM 985 O ASN A 47 -7.360 -11.266 7.774 1.00 0.54 O ATOM 986 CB ASN A 47 -5.107 -13.683 8.023 1.00 0.50 C ATOM 987 CG ASN A 47 -5.342 -13.507 9.515 1.00 0.92 C ATOM 988 OD1 ASN A 47 -6.211 -12.754 9.950 1.00 1.85 O ATOM 989 ND2 ASN A 47 -4.546 -14.199 10.315 1.00 1.44 N ATOM 0 H ASN A 47 -4.366 -11.423 8.770 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.914 -12.594 6.217 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.764 -14.470 7.652 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -4.083 -14.021 7.864 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -4.643 -14.117 11.327 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.835 -14.815 9.919 1.00 1.44 H new ATOM 996 N ALA A 48 -7.485 -12.720 6.052 1.00 0.36 N ATOM 997 CA ALA A 48 -8.869 -12.381 5.714 1.00 0.41 C ATOM 998 C ALA A 48 -9.749 -12.338 6.950 1.00 0.64 C ATOM 999 O ALA A 48 -9.753 -13.256 7.773 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.424 -13.363 4.691 1.00 0.49 C ATOM 0 H ALA A 48 -7.082 -13.461 5.479 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.870 -11.383 5.275 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.453 -13.096 4.451 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.819 -13.325 3.785 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.397 -14.372 5.103 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.495 -11.249 7.053 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.245 -10.921 8.250 1.00 1.18 C ATOM 1008 C ALA A 49 -12.302 -11.965 8.556 1.00 1.17 C ATOM 1009 O ALA A 49 -12.583 -12.252 9.719 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.879 -9.557 8.090 1.00 1.48 C ATOM 0 H ALA A 49 -10.596 -10.566 6.303 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.553 -10.906 9.092 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.443 -9.310 8.990 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.101 -8.810 7.933 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.551 -9.567 7.232 1.00 1.48 H new ATOM 1016 N SER A 50 -12.887 -12.531 7.512 1.00 1.12 N ATOM 1017 CA SER A 50 -13.905 -13.557 7.656 1.00 1.50 C ATOM 1018 C SER A 50 -13.307 -14.922 8.020 1.00 1.66 C ATOM 1019 O SER A 50 -13.961 -15.952 7.860 1.00 2.19 O ATOM 1020 CB SER A 50 -14.677 -13.655 6.342 1.00 1.77 C ATOM 1021 OG SER A 50 -15.154 -12.378 5.944 1.00 2.37 O ATOM 0 H SER A 50 -12.670 -12.292 6.544 1.00 1.12 H new ATOM 0 HA SER A 50 -14.568 -13.276 8.474 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.032 -14.066 5.565 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.515 -14.342 6.457 1.00 1.77 H new ATOM 0 HG SER A 50 -15.644 -12.461 5.100 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.067 -14.924 8.498 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.428 -16.162 8.919 1.00 1.68 C ATOM 1029 C GLY A 51 -11.125 -17.091 7.759 1.00 1.70 C ATOM 1030 O GLY A 51 -10.989 -18.301 7.944 1.00 1.91 O ATOM 0 H GLY A 51 -11.490 -14.089 8.602 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.501 -15.927 9.442 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -12.075 -16.676 9.631 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.018 -16.527 6.566 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.789 -17.302 5.366 1.00 1.60 C ATOM 1036 C LYS A 52 -9.294 -17.540 5.161 1.00 1.44 C ATOM 1037 O LYS A 52 -8.527 -16.590 5.005 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.389 -16.552 4.180 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.303 -17.307 2.873 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.010 -16.560 1.751 1.00 1.94 C ATOM 1041 CE LYS A 52 -13.510 -16.464 2.002 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.177 -15.571 1.022 1.00 3.17 N ATOM 0 H LYS A 52 -11.088 -15.522 6.407 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.267 -18.277 5.458 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -12.435 -16.332 4.393 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.878 -15.596 4.071 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -10.257 -17.459 2.608 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -11.749 -18.295 2.992 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -11.591 -15.558 1.659 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -11.830 -17.069 0.804 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -13.952 -17.459 1.947 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -13.687 -16.092 3.011 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -15.180 -15.464 1.276 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -13.716 -14.639 1.032 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -14.103 -15.983 0.070 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.858 -18.810 5.202 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.446 -19.181 5.025 1.00 1.40 C ATOM 1058 C PRO A 53 -6.879 -18.780 3.670 1.00 1.15 C ATOM 1059 O PRO A 53 -7.601 -18.737 2.667 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.454 -20.705 5.151 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.688 -21.007 5.913 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.696 -19.994 5.457 1.00 1.76 C ATOM 0 HA PRO A 53 -6.817 -18.671 5.754 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -7.465 -21.184 4.172 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.567 -21.065 5.673 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -9.034 -22.022 5.715 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.515 -20.933 6.987 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.223 -20.320 4.560 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.452 -19.801 6.218 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.590 -18.449 3.686 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.799 -18.145 2.489 1.00 0.90 C ATOM 1072 C ASP A 54 -5.050 -16.713 2.050 1.00 0.68 C ATOM 1073 O ASP A 54 -4.122 -15.924 1.895 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.094 -19.130 1.346 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.234 -18.880 0.120 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.676 -18.131 -0.780 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.109 -19.412 0.060 1.00 1.60 O ATOM 0 H ASP A 54 -5.051 -18.382 4.550 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.745 -18.257 2.743 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.930 -20.148 1.698 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -6.145 -19.054 1.069 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.313 -16.401 1.846 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.741 -15.044 1.526 1.00 0.47 C ATOM 1084 C ARG A 55 -6.447 -14.078 2.668 1.00 0.41 C ATOM 1085 O ARG A 55 -6.543 -14.431 3.846 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.233 -15.020 1.181 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.538 -15.293 -0.289 1.00 1.24 C ATOM 1088 CD ARG A 55 -7.967 -16.621 -0.770 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.354 -16.900 -2.153 1.00 2.57 N ATOM 1090 CZ ARG A 55 -7.702 -17.726 -2.973 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -6.583 -18.322 -2.587 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -8.161 -17.932 -4.201 1.00 4.10 N ATOM 0 H ARG A 55 -7.076 -17.076 1.896 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.171 -14.715 0.657 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.748 -15.762 1.791 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.642 -14.046 1.451 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -9.618 -15.291 -0.439 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.130 -14.485 -0.897 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -6.880 -16.601 -0.692 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -8.318 -17.425 -0.123 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.182 -16.429 -2.517 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -6.210 -18.151 -1.653 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -6.094 -18.951 -3.224 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.009 -17.460 -4.514 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -7.666 -18.563 -4.831 1.00 4.10 H new ATOM 1106 N TYR A 56 -6.072 -12.860 2.307 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.778 -11.827 3.283 1.00 0.32 C ATOM 1108 C TYR A 56 -6.707 -10.628 3.106 1.00 0.33 C ATOM 1109 O TYR A 56 -7.527 -10.592 2.187 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.321 -11.372 3.161 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.309 -12.367 3.692 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.794 -13.373 2.885 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.865 -12.292 5.005 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.868 -14.277 3.376 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.943 -13.189 5.502 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.446 -14.180 4.686 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.524 -15.075 5.183 1.00 0.97 O ATOM 0 H TYR A 56 -5.964 -12.563 1.337 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.939 -12.250 4.275 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -4.102 -11.173 2.112 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -4.201 -10.430 3.696 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.121 -13.451 1.859 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.249 -11.516 5.650 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.478 -15.055 2.737 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.612 -13.114 6.527 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.336 -14.864 6.121 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.569 -9.661 3.998 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.348 -8.431 3.961 1.00 0.34 C ATOM 1129 C ASP A 57 -6.397 -7.253 4.162 1.00 0.29 C ATOM 1130 O ASP A 57 -5.522 -7.302 5.026 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.420 -8.460 5.058 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.388 -7.294 4.991 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -9.062 -6.216 5.534 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.461 -7.438 4.372 1.00 0.99 O ATOM 0 H ASP A 57 -5.909 -9.706 4.774 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.853 -8.330 3.001 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.981 -9.392 4.982 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.931 -8.460 6.032 1.00 0.43 H new ATOM 1139 N MET A 58 -6.539 -6.216 3.348 1.00 0.27 N ATOM 1140 CA MET A 58 -5.581 -5.110 3.354 1.00 0.26 C ATOM 1141 C MET A 58 -6.288 -3.762 3.275 1.00 0.27 C ATOM 1142 O MET A 58 -7.136 -3.549 2.409 1.00 0.33 O ATOM 1143 CB MET A 58 -4.605 -5.265 2.179 1.00 0.30 C ATOM 1144 CG MET A 58 -3.766 -4.031 1.892 1.00 0.51 C ATOM 1145 SD MET A 58 -2.756 -3.525 3.288 1.00 0.98 S ATOM 1146 CE MET A 58 -1.996 -2.066 2.595 1.00 0.36 C ATOM 0 H MET A 58 -7.301 -6.114 2.678 1.00 0.27 H new ATOM 0 HA MET A 58 -5.029 -5.142 4.293 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.939 -6.103 2.384 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.171 -5.520 1.283 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.120 -4.229 1.037 1.00 0.51 H new ATOM 0 HG3 MET A 58 -4.424 -3.209 1.611 1.00 0.51 H new ATOM 0 HE1 MET A 58 -0.960 -2.002 2.928 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.025 -2.123 1.507 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.538 -1.181 2.927 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.932 -2.855 4.174 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.523 -1.525 4.178 1.00 0.32 C ATOM 1158 C GLU A 59 -5.462 -0.440 4.109 1.00 0.31 C ATOM 1159 O GLU A 59 -4.385 -0.558 4.696 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.395 -1.304 5.417 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.568 -2.259 5.528 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.497 -1.909 6.670 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.323 -2.462 7.775 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.400 -1.070 6.473 1.00 1.11 O ATOM 0 H GLU A 59 -5.240 -3.015 4.906 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.149 -1.460 3.288 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -6.774 -1.403 6.307 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.773 -0.282 5.404 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.128 -2.251 4.593 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.194 -3.273 5.666 1.00 1.03 H new ATOM 1171 N ASN A 60 -5.782 0.617 3.378 1.00 0.36 N ATOM 1172 CA ASN A 60 -4.911 1.774 3.267 1.00 0.42 C ATOM 1173 C ASN A 60 -5.681 2.999 3.739 1.00 0.46 C ATOM 1174 O ASN A 60 -6.084 3.840 2.935 1.00 0.60 O ATOM 1175 CB ASN A 60 -4.422 1.993 1.821 1.00 0.44 C ATOM 1176 CG ASN A 60 -3.869 0.738 1.142 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -4.380 -0.367 1.313 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -2.819 0.903 0.356 1.00 1.02 N ATOM 0 H ASN A 60 -6.650 0.696 2.847 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.028 1.606 3.884 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.249 2.378 1.225 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -3.648 2.760 1.825 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -2.413 0.102 -0.127 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -2.415 1.832 0.232 1.00 1.02 H new ATOM 1185 N LEU A 61 -5.900 3.081 5.044 1.00 0.38 N ATOM 1186 CA LEU A 61 -6.736 4.127 5.621 1.00 0.39 C ATOM 1187 C LEU A 61 -6.011 5.462 5.634 1.00 0.39 C ATOM 1188 O LEU A 61 -4.805 5.517 5.879 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.149 3.741 7.040 1.00 0.42 C ATOM 1190 CG LEU A 61 -7.958 2.448 7.145 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.257 2.124 8.600 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.245 2.561 6.344 1.00 1.66 C ATOM 0 H LEU A 61 -5.508 2.432 5.727 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.627 4.231 5.002 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.251 3.641 7.650 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.735 4.555 7.466 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.366 1.633 6.729 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -8.833 1.201 8.656 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.321 2.001 9.145 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -8.831 2.938 9.043 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.809 1.632 6.429 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -9.843 3.386 6.731 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.007 2.746 5.297 1.00 1.66 H new ATOM 1204 N THR A 62 -6.744 6.532 5.363 1.00 0.34 N ATOM 1205 CA THR A 62 -6.161 7.858 5.307 1.00 0.35 C ATOM 1206 C THR A 62 -7.096 8.874 5.953 1.00 0.37 C ATOM 1207 O THR A 62 -7.963 8.509 6.749 1.00 0.43 O ATOM 1208 CB THR A 62 -5.863 8.293 3.854 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.085 8.480 3.128 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.004 7.262 3.137 1.00 0.45 C ATOM 0 H THR A 62 -7.747 6.504 5.178 1.00 0.34 H new ATOM 0 HA THR A 62 -5.219 7.820 5.854 1.00 0.35 H new ATOM 0 HB THR A 62 -5.317 9.235 3.897 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.935 9.109 2.392 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.811 7.595 2.117 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.058 7.145 3.666 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.527 6.306 3.113 1.00 0.45 H new ATOM 1218 N THR A 63 -6.930 10.136 5.601 1.00 0.42 N ATOM 1219 CA THR A 63 -7.735 11.201 6.164 1.00 0.46 C ATOM 1220 C THR A 63 -8.908 11.550 5.251 1.00 0.46 C ATOM 1221 O THR A 63 -9.979 11.952 5.713 1.00 0.54 O ATOM 1222 CB THR A 63 -6.865 12.448 6.376 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.364 12.907 5.113 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.698 12.115 7.286 1.00 0.50 C ATOM 0 H THR A 63 -6.237 10.449 4.921 1.00 0.42 H new ATOM 0 HA THR A 63 -8.133 10.857 7.119 1.00 0.46 H new ATOM 0 HB THR A 63 -7.471 13.229 6.836 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.810 13.704 5.251 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.085 13.004 7.432 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.074 11.772 8.250 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.095 11.329 6.831 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.705 11.381 3.952 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.705 11.774 2.966 1.00 0.50 C ATOM 1234 C LYS A 64 -10.335 10.556 2.313 1.00 0.49 C ATOM 1235 O LYS A 64 -11.442 10.628 1.776 1.00 0.60 O ATOM 1236 CB LYS A 64 -9.065 12.645 1.883 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.464 13.941 2.399 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.530 14.924 2.856 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.912 16.261 3.233 1.00 1.64 C ATOM 1240 NZ LYS A 64 -9.930 17.255 3.658 1.00 2.24 N ATOM 0 H LYS A 64 -7.858 10.975 3.555 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.480 12.338 3.485 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.285 12.070 1.384 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.818 12.881 1.131 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.792 13.723 3.229 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.862 14.399 1.614 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.261 15.069 2.061 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -10.066 14.513 3.711 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -8.195 16.112 4.040 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -8.357 16.655 2.382 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -9.460 18.149 3.905 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.601 17.419 2.880 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.443 16.893 4.487 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.630 9.439 2.364 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.048 8.249 1.654 1.00 0.49 C ATOM 1256 C LYS A 65 -9.906 7.019 2.533 1.00 0.52 C ATOM 1257 O LYS A 65 -9.859 7.125 3.760 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.229 8.109 0.368 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.084 8.073 -0.890 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.016 6.870 -0.906 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.944 6.897 -2.108 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.805 8.110 -2.120 1.00 1.82 N ATOM 0 H LYS A 65 -8.764 9.334 2.892 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.102 8.340 1.390 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.529 8.942 0.299 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.635 7.197 0.421 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.671 8.989 -0.956 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -9.438 8.044 -1.768 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -10.427 5.953 -0.921 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.607 6.854 0.010 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -11.353 6.863 -3.023 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.572 6.006 -2.101 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.796 7.831 -2.263 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.714 8.609 -1.212 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.508 8.739 -2.893 1.00 1.82 H new ATOM 1276 N ASP A 66 -9.766 5.879 1.883 1.00 0.47 N ATOM 1277 CA ASP A 66 -9.852 4.573 2.531 1.00 0.39 C ATOM 1278 C ASP A 66 -9.997 3.488 1.477 1.00 0.43 C ATOM 1279 O ASP A 66 -10.771 3.626 0.530 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.033 4.486 3.515 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.393 4.534 2.839 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.018 3.466 2.663 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -12.838 5.640 2.459 1.00 2.12 O ATOM 0 H ASP A 66 -9.587 5.827 0.880 1.00 0.47 H new ATOM 0 HA ASP A 66 -8.933 4.432 3.100 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.952 3.561 4.085 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -10.962 5.307 4.228 1.00 0.57 H new ATOM 1288 N THR A 67 -9.214 2.440 1.616 1.00 0.35 N ATOM 1289 CA THR A 67 -9.365 1.260 0.792 1.00 0.32 C ATOM 1290 C THR A 67 -9.496 0.045 1.690 1.00 0.26 C ATOM 1291 O THR A 67 -8.855 -0.023 2.739 1.00 0.30 O ATOM 1292 CB THR A 67 -8.158 1.059 -0.146 1.00 0.38 C ATOM 1293 OG1 THR A 67 -6.951 1.076 0.617 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.097 2.138 -1.213 1.00 0.56 C ATOM 0 H THR A 67 -8.459 2.381 2.299 1.00 0.35 H new ATOM 0 HA THR A 67 -10.256 1.389 0.177 1.00 0.32 H new ATOM 0 HB THR A 67 -8.274 0.096 -0.643 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.458 0.242 0.468 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.234 1.965 -1.856 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.007 2.110 -1.812 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.006 3.115 -0.738 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.314 -0.906 1.293 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.487 -2.111 2.075 1.00 0.23 C ATOM 1304 C HIS A 68 -10.498 -3.317 1.154 1.00 0.22 C ATOM 1305 O HIS A 68 -11.551 -3.766 0.706 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.772 -2.050 2.906 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.913 -3.197 3.861 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -13.077 -3.481 4.533 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.023 -4.140 4.241 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.897 -4.551 5.284 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.657 -4.970 5.125 1.00 1.95 N ATOM 0 H HIS A 68 -10.868 -0.869 0.437 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.652 -2.201 2.770 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.791 -1.115 3.466 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.631 -2.037 2.235 1.00 0.32 H new ATOM 0 HD1 HIS A 68 -13.944 -2.948 4.463 1.00 1.05 H new ATOM 0 HD2 HIS A 68 -9.999 -4.223 3.908 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.640 -5.007 5.921 1.00 1.69 H new ATOM 1320 N HIS A 69 -9.312 -3.833 0.887 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.142 -4.970 -0.002 1.00 0.26 C ATOM 1322 C HIS A 69 -9.575 -6.253 0.705 1.00 0.29 C ATOM 1323 O HIS A 69 -8.741 -6.974 1.248 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.673 -5.104 -0.436 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.063 -3.865 -1.034 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.733 -3.015 -1.880 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.814 -3.352 -0.913 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.927 -2.040 -2.258 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.750 -2.219 -1.688 1.00 0.39 N ATOM 0 H HIS A 69 -8.440 -3.477 1.279 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.760 -4.809 -0.885 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.081 -5.399 0.430 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.598 -5.913 -1.163 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.705 -3.121 -2.172 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.013 -3.760 -0.315 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.188 -1.230 -2.923 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.933 -1.619 -1.803 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.878 -6.502 0.751 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.404 -7.717 1.352 1.00 0.37 C ATOM 1340 C LYS A 70 -11.114 -8.960 0.522 1.00 0.31 C ATOM 1341 O LYS A 70 -11.473 -9.032 -0.658 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.902 -7.575 1.556 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.245 -6.637 2.686 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.578 -5.958 2.479 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.518 -4.942 1.356 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.839 -4.296 1.122 1.00 2.30 N ATOM 0 H LYS A 70 -11.590 -5.875 0.377 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.900 -7.848 2.309 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.358 -7.211 0.635 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.332 -8.556 1.759 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.264 -7.192 3.624 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.465 -5.881 2.778 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.337 -6.707 2.253 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.882 -5.464 3.402 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.778 -4.179 1.596 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.186 -5.432 0.441 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.756 -3.608 0.347 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.540 -5.021 0.868 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.145 -3.807 1.988 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.437 -9.912 1.154 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.299 -11.272 0.631 1.00 0.37 C ATOM 1362 C ASP A 71 -9.504 -11.300 -0.667 1.00 0.33 C ATOM 1363 O ASP A 71 -10.049 -11.581 -1.736 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.675 -11.909 0.403 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.418 -12.234 1.684 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -13.097 -13.283 1.746 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.294 -11.454 2.649 1.00 2.07 O ATOM 0 H ASP A 71 -9.966 -9.765 2.047 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.754 -11.847 1.379 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.283 -11.233 -0.197 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.550 -12.824 -0.176 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.220 -11.009 -0.576 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.346 -11.097 -1.732 1.00 0.30 C ATOM 1374 C TRP A 72 -6.320 -12.195 -1.536 1.00 0.31 C ATOM 1375 O TRP A 72 -5.815 -12.398 -0.430 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.639 -9.764 -1.999 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.905 -9.205 -0.814 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.424 -8.392 0.145 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.523 -9.402 -0.465 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.464 -8.078 1.069 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.291 -8.683 0.717 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.461 -10.116 -1.026 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -3.048 -8.656 1.340 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.231 -10.077 -0.392 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.041 -9.356 0.773 1.00 0.43 C ATOM 0 H TRP A 72 -7.759 -10.710 0.284 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.964 -11.334 -2.598 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.933 -9.898 -2.818 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.378 -9.035 -2.331 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.446 -8.044 0.173 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.602 -7.487 1.889 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.597 -10.685 -1.934 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.892 -8.093 2.249 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.401 -10.622 -0.817 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.067 -9.352 1.239 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.037 -12.920 -2.599 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.964 -13.888 -2.584 1.00 0.50 C ATOM 1398 C ALA A 73 -3.732 -13.274 -3.203 1.00 0.48 C ATOM 1399 O ALA A 73 -3.827 -12.478 -4.137 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.350 -15.130 -3.363 1.00 0.55 C ATOM 0 H ALA A 73 -6.538 -12.855 -3.485 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.764 -14.173 -1.551 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.528 -15.845 -3.339 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.236 -15.580 -2.915 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.565 -14.859 -4.397 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.583 -13.590 -2.657 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.345 -13.238 -3.302 1.00 0.67 C ATOM 1408 C LEU A 74 -1.279 -13.871 -4.691 1.00 0.57 C ATOM 1409 O LEU A 74 -1.376 -15.088 -4.842 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.166 -13.666 -2.433 1.00 0.95 C ATOM 1411 CG LEU A 74 0.582 -12.515 -1.770 1.00 0.68 C ATOM 1412 CD1 LEU A 74 1.725 -13.049 -0.927 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.096 -11.541 -2.819 1.00 1.71 C ATOM 0 H LEU A 74 -2.481 -14.088 -1.772 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.294 -12.156 -3.427 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.529 -14.341 -1.658 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.535 -14.232 -3.047 1.00 0.95 H new ATOM 0 HG LEU A 74 -0.107 -11.980 -1.117 1.00 0.68 H new ATOM 0 HD11 LEU A 74 2.251 -12.217 -0.459 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.330 -13.709 -0.155 1.00 1.28 H new ATOM 0 HD13 LEU A 74 2.416 -13.605 -1.561 1.00 1.28 H new ATOM 0 HD21 LEU A 74 1.628 -10.725 -2.329 1.00 1.71 H new ATOM 0 HD22 LEU A 74 1.774 -12.060 -3.497 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.256 -11.138 -3.384 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.095 -13.030 -5.698 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.163 -13.477 -7.074 1.00 0.56 C ATOM 1427 C GLY A 75 -2.562 -13.357 -7.653 1.00 0.51 C ATOM 1428 O GLY A 75 -2.874 -13.974 -8.675 1.00 0.59 O ATOM 0 H GLY A 75 -0.898 -12.036 -5.584 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.471 -12.890 -7.678 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.836 -14.515 -7.133 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.407 -12.570 -7.003 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.784 -12.399 -7.446 1.00 0.40 C ATOM 1434 C GLU A 76 -5.024 -10.968 -7.929 1.00 0.36 C ATOM 1435 O GLU A 76 -4.336 -10.031 -7.516 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.755 -12.766 -6.315 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.231 -12.695 -6.690 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.588 -13.582 -7.866 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.420 -13.140 -9.022 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.049 -14.721 -7.643 1.00 1.59 O ATOM 0 H GLU A 76 -3.164 -12.039 -6.167 1.00 0.42 H new ATOM 0 HA GLU A 76 -4.965 -13.070 -8.286 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.529 -13.777 -5.975 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.577 -12.099 -5.472 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.833 -12.984 -5.829 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.490 -11.663 -6.929 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.006 -10.827 -8.801 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.367 -9.550 -9.393 1.00 0.43 C ATOM 1449 C GLU A 77 -7.863 -9.340 -9.187 1.00 0.44 C ATOM 1450 O GLU A 77 -8.685 -9.985 -9.843 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.013 -9.555 -10.885 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.179 -8.213 -11.577 1.00 0.74 C ATOM 1453 CD GLU A 77 -5.624 -8.226 -12.988 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -4.395 -8.052 -13.152 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -6.407 -8.411 -13.944 1.00 0.90 O ATOM 0 H GLU A 77 -6.582 -11.605 -9.122 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.817 -8.735 -8.922 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -4.980 -9.883 -10.999 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.638 -10.290 -11.391 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.236 -7.949 -11.606 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.674 -7.441 -10.996 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.214 -8.453 -8.275 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.592 -8.344 -7.811 1.00 0.41 C ATOM 1464 C PHE A 78 -10.139 -6.939 -8.012 1.00 0.42 C ATOM 1465 O PHE A 78 -9.385 -5.980 -8.086 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.669 -8.728 -6.328 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.832 -7.868 -5.425 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.503 -8.175 -5.184 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.377 -6.748 -4.819 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.735 -7.384 -4.355 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.613 -5.956 -3.990 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.284 -6.286 -3.752 1.00 0.52 C ATOM 0 H PHE A 78 -7.567 -7.796 -7.839 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.203 -9.027 -8.401 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.708 -8.672 -6.003 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.355 -9.766 -6.216 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.063 -9.044 -5.651 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.411 -6.493 -4.998 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.698 -7.632 -4.182 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.045 -5.082 -3.527 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.685 -5.676 -3.092 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.456 -6.828 -8.099 1.00 0.46 N ATOM 1483 CA GLN A 79 -12.103 -5.528 -8.197 1.00 0.51 C ATOM 1484 C GLN A 79 -12.180 -4.894 -6.815 1.00 0.50 C ATOM 1485 O GLN A 79 -12.427 -5.588 -5.825 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.497 -5.660 -8.809 1.00 0.62 C ATOM 1487 CG GLN A 79 -14.230 -4.334 -8.939 1.00 1.00 C ATOM 1488 CD GLN A 79 -15.531 -4.454 -9.702 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -16.160 -5.614 -9.628 1.00 1.95 O flip ATOM 1490 NE2 GLN A 79 -15.967 -3.509 -10.354 1.00 1.94 N flip ATOM 0 H GLN A 79 -12.097 -7.621 -8.104 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.513 -4.887 -8.851 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.411 -6.117 -9.795 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -14.092 -6.336 -8.195 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -14.433 -3.938 -7.944 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -13.584 -3.615 -9.443 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.451 -2.630 -10.385 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.845 -3.603 -10.864 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.982 -3.586 -6.752 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.815 -2.903 -5.478 1.00 0.49 C ATOM 1501 C ASP A 80 -12.279 -1.449 -5.556 1.00 0.52 C ATOM 1502 O ASP A 80 -12.362 -0.870 -6.647 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.334 -2.963 -5.092 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.053 -2.432 -3.707 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.232 -3.175 -2.728 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.672 -1.248 -3.583 1.00 1.26 O ATOM 0 H ASP A 80 -11.933 -2.976 -7.568 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.428 -3.398 -4.724 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -9.992 -3.996 -5.153 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.754 -2.392 -5.817 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.588 -0.871 -4.395 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.920 0.543 -4.293 1.00 0.65 C ATOM 1513 C GLU A 81 -11.648 1.305 -3.963 1.00 0.63 C ATOM 1514 O GLU A 81 -11.272 1.455 -2.800 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.977 0.775 -3.210 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.391 2.228 -3.059 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.391 2.432 -1.943 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -16.604 2.264 -2.185 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.971 2.765 -0.814 1.00 1.81 O ATOM 0 H GLU A 81 -12.614 -1.370 -3.506 1.00 0.53 H new ATOM 0 HA GLU A 81 -13.335 0.895 -5.238 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.859 0.178 -3.442 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.591 0.416 -2.256 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.507 2.836 -2.866 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -14.821 2.579 -3.997 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.990 1.763 -5.001 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.634 2.253 -4.894 1.00 0.67 C ATOM 1528 C ALA A 82 -9.531 3.634 -4.259 1.00 0.60 C ATOM 1529 O ALA A 82 -10.490 4.407 -4.213 1.00 0.59 O ATOM 1530 CB ALA A 82 -9.008 2.255 -6.263 1.00 0.95 C ATOM 0 H ALA A 82 -11.378 1.807 -5.943 1.00 0.61 H new ATOM 0 HA ALA A 82 -9.097 1.581 -4.225 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.984 2.623 -6.194 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -9.003 1.241 -6.662 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -9.583 2.903 -6.925 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.319 3.913 -3.786 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.985 5.145 -3.087 1.00 0.58 C ATOM 1538 C LEU A 83 -8.215 6.358 -3.976 1.00 0.59 C ATOM 1539 O LEU A 83 -8.509 7.448 -3.492 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.516 5.091 -2.657 1.00 0.66 C ATOM 1541 CG LEU A 83 -6.098 6.084 -1.573 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.706 5.698 -0.235 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -4.583 6.149 -1.477 1.00 1.34 C ATOM 0 H LEU A 83 -7.529 3.275 -3.881 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.630 5.239 -2.213 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -6.299 4.084 -2.302 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.894 5.260 -3.536 1.00 0.66 H new ATOM 0 HG LEU A 83 -6.469 7.073 -1.842 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.398 6.416 0.525 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -7.793 5.699 -0.316 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -6.364 4.702 0.046 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.298 6.860 -0.701 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -4.192 5.163 -1.227 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.171 6.471 -2.433 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.070 6.158 -5.279 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.264 7.235 -6.245 1.00 0.67 C ATOM 1557 C ASP A 84 -9.746 7.449 -6.568 1.00 0.69 C ATOM 1558 O ASP A 84 -10.093 8.025 -7.599 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.447 6.979 -7.521 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.963 5.823 -8.359 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.812 4.652 -7.938 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.499 6.082 -9.457 1.00 1.39 O ATOM 0 H ASP A 84 -7.819 5.260 -5.693 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.900 8.155 -5.788 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.447 7.884 -8.129 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.412 6.781 -7.244 1.00 0.70 H new ATOM 1567 N SER A 85 -10.606 6.977 -5.668 1.00 0.67 N ATOM 1568 CA SER A 85 -12.039 7.272 -5.704 1.00 0.74 C ATOM 1569 C SER A 85 -12.720 6.704 -6.944 1.00 0.77 C ATOM 1570 O SER A 85 -13.698 7.263 -7.440 1.00 1.09 O ATOM 1571 CB SER A 85 -12.262 8.783 -5.625 1.00 0.84 C ATOM 1572 OG SER A 85 -11.668 9.320 -4.454 1.00 1.21 O ATOM 0 H SER A 85 -10.329 6.377 -4.891 1.00 0.67 H new ATOM 0 HA SER A 85 -12.492 6.787 -4.840 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.838 9.264 -6.506 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.331 8.998 -5.627 1.00 0.84 H new ATOM 0 HG SER A 85 -11.821 10.288 -4.424 1.00 1.21 H new ATOM 1578 N THR A 86 -12.208 5.594 -7.439 1.00 0.67 N ATOM 1579 CA THR A 86 -12.815 4.929 -8.576 1.00 0.67 C ATOM 1580 C THR A 86 -12.993 3.454 -8.284 1.00 0.66 C ATOM 1581 O THR A 86 -12.510 2.943 -7.271 1.00 0.76 O ATOM 1582 CB THR A 86 -11.968 5.080 -9.852 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.624 4.664 -9.600 1.00 0.86 O ATOM 1584 CG2 THR A 86 -11.988 6.511 -10.359 1.00 0.93 C ATOM 0 H THR A 86 -11.375 5.134 -7.073 1.00 0.67 H new ATOM 0 HA THR A 86 -13.782 5.403 -8.744 1.00 0.67 H new ATOM 0 HB THR A 86 -12.401 4.444 -10.624 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.026 5.438 -9.656 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.381 6.586 -11.261 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.013 6.802 -10.587 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.584 7.174 -9.594 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.679 2.769 -9.175 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.856 1.338 -9.056 1.00 0.76 C ATOM 1594 C GLN A 87 -13.029 0.669 -10.128 1.00 0.66 C ATOM 1595 O GLN A 87 -13.226 0.934 -11.314 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.323 0.957 -9.240 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.270 1.768 -8.378 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.132 1.477 -6.894 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.327 2.359 -6.059 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.823 0.236 -6.552 1.00 1.33 N ATOM 0 H GLN A 87 -14.125 3.183 -9.993 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.540 1.016 -8.064 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.596 1.087 -10.287 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.448 -0.101 -9.007 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -16.089 2.829 -8.551 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.295 1.565 -8.687 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.669 -0.468 -7.273 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.739 -0.016 -5.567 1.00 1.33 H new ATOM 1609 N HIS A 88 -12.080 -0.157 -9.730 1.00 0.54 N ATOM 1610 CA HIS A 88 -11.264 -0.858 -10.702 1.00 0.53 C ATOM 1611 C HIS A 88 -10.566 -2.046 -10.091 1.00 0.49 C ATOM 1612 O HIS A 88 -10.702 -2.311 -8.902 1.00 0.51 O ATOM 1613 CB HIS A 88 -10.245 0.069 -11.365 1.00 0.63 C ATOM 1614 CG HIS A 88 -9.337 0.814 -10.435 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.259 0.236 -9.797 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -9.330 2.115 -10.078 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.631 1.157 -9.088 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -8.259 2.306 -9.246 1.00 0.97 N ATOM 0 H HIS A 88 -11.857 -0.357 -8.755 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.944 -1.220 -11.473 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.632 -0.523 -12.044 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.785 0.794 -11.974 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -7.990 -0.746 -9.862 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -10.039 2.868 -10.391 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.752 0.996 -8.482 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.991 3.192 -8.818 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.807 -2.750 -10.914 1.00 0.49 N ATOM 1628 CA LYS A 89 -9.167 -3.967 -10.480 1.00 0.49 C ATOM 1629 C LYS A 89 -7.802 -3.667 -9.884 1.00 0.45 C ATOM 1630 O LYS A 89 -7.182 -2.636 -10.174 1.00 0.50 O ATOM 1631 CB LYS A 89 -9.063 -4.965 -11.640 1.00 0.61 C ATOM 1632 CG LYS A 89 -8.087 -4.572 -12.733 1.00 1.06 C ATOM 1633 CD LYS A 89 -8.046 -5.628 -13.823 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.989 -5.322 -14.868 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.835 -6.438 -15.834 1.00 1.49 N ATOM 0 H LYS A 89 -9.623 -2.495 -11.884 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.778 -4.424 -9.702 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.768 -5.935 -11.240 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -10.051 -5.090 -12.083 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -8.379 -3.613 -13.160 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -7.091 -4.442 -12.309 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.845 -6.602 -13.377 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -9.023 -5.693 -14.303 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.259 -4.412 -15.403 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.035 -5.132 -14.376 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -6.037 -6.239 -16.470 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.653 -7.322 -15.317 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -7.707 -6.536 -16.393 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.368 -4.558 -9.023 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.117 -4.424 -8.319 1.00 0.35 C ATOM 1651 C ILE A 90 -5.449 -5.782 -8.183 1.00 0.34 C ATOM 1652 O ILE A 90 -6.074 -6.754 -7.759 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.338 -3.808 -6.926 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.659 -2.319 -7.059 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.125 -4.035 -6.044 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -6.966 -1.641 -5.748 1.00 0.54 C ATOM 0 H ILE A 90 -7.882 -5.407 -8.790 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.470 -3.760 -8.892 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.187 -4.299 -6.451 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.814 -1.816 -7.528 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.512 -2.199 -7.727 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.300 -3.592 -5.063 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.951 -5.105 -5.933 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.251 -3.571 -6.501 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.183 -0.588 -5.925 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.831 -2.117 -5.286 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.106 -1.727 -5.084 1.00 0.54 H new ATOM 1668 N THR A 91 -4.190 -5.846 -8.563 1.00 0.30 N ATOM 1669 CA THR A 91 -3.439 -7.078 -8.491 1.00 0.30 C ATOM 1670 C THR A 91 -2.459 -7.047 -7.328 1.00 0.28 C ATOM 1671 O THR A 91 -1.738 -6.066 -7.136 1.00 0.31 O ATOM 1672 CB THR A 91 -2.653 -7.311 -9.789 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.393 -6.803 -10.908 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.367 -8.791 -9.990 1.00 0.37 C ATOM 0 H THR A 91 -3.664 -5.052 -8.927 1.00 0.30 H new ATOM 0 HA THR A 91 -4.153 -7.888 -8.344 1.00 0.30 H new ATOM 0 HB THR A 91 -1.703 -6.782 -9.713 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.574 -7.531 -11.538 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.809 -8.931 -10.916 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.779 -9.165 -9.152 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.308 -9.339 -10.046 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.437 -8.118 -6.560 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.439 -8.291 -5.522 1.00 0.33 C ATOM 1684 C PHE A 92 -0.464 -9.360 -5.963 1.00 0.39 C ATOM 1685 O PHE A 92 -0.874 -10.438 -6.382 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.077 -8.668 -4.186 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.428 -7.485 -3.329 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.482 -6.653 -3.675 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.708 -7.203 -2.184 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.809 -5.562 -2.894 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -2.030 -6.114 -1.399 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.073 -5.305 -1.737 1.00 0.52 C ATOM 0 H PHE A 92 -3.103 -8.887 -6.636 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.917 -7.346 -5.372 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.980 -9.249 -4.376 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.392 -9.314 -3.636 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.055 -6.861 -4.567 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.884 -7.841 -1.900 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.626 -4.914 -3.176 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.452 -5.902 -0.512 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.330 -4.465 -1.109 1.00 0.52 H new ATOM 1702 N ASP A 93 0.815 -9.063 -5.891 1.00 0.37 N ATOM 1703 CA ASP A 93 1.825 -9.971 -6.400 1.00 0.43 C ATOM 1704 C ASP A 93 3.090 -9.874 -5.569 1.00 0.36 C ATOM 1705 O ASP A 93 3.510 -8.777 -5.202 1.00 0.39 O ATOM 1706 CB ASP A 93 2.131 -9.634 -7.862 1.00 0.58 C ATOM 1707 CG ASP A 93 2.992 -10.678 -8.540 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.457 -11.732 -8.938 1.00 1.69 O ATOM 1709 OD2 ASP A 93 4.213 -10.455 -8.662 1.00 1.24 O ATOM 0 H ASP A 93 1.182 -8.202 -5.486 1.00 0.37 H new ATOM 0 HA ASP A 93 1.447 -10.991 -6.337 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.194 -9.532 -8.410 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.635 -8.669 -7.909 1.00 0.58 H new ATOM 1714 N LEU A 94 3.680 -11.009 -5.251 1.00 0.42 N ATOM 1715 CA LEU A 94 4.945 -11.024 -4.539 1.00 0.51 C ATOM 1716 C LEU A 94 6.076 -11.025 -5.555 1.00 0.56 C ATOM 1717 O LEU A 94 6.303 -12.020 -6.245 1.00 0.63 O ATOM 1718 CB LEU A 94 5.035 -12.245 -3.611 1.00 0.61 C ATOM 1719 CG LEU A 94 5.297 -11.946 -2.122 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.717 -11.471 -1.892 1.00 1.02 C ATOM 1721 CD2 LEU A 94 4.325 -10.908 -1.595 1.00 1.12 C ATOM 0 H LEU A 94 3.306 -11.932 -5.473 1.00 0.42 H new ATOM 0 HA LEU A 94 5.023 -10.136 -3.912 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.103 -12.805 -3.690 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.830 -12.895 -3.976 1.00 0.61 H new ATOM 0 HG LEU A 94 5.150 -12.880 -1.580 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.866 -11.270 -0.831 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.416 -12.242 -2.217 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.892 -10.559 -2.463 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.533 -10.716 -0.542 1.00 1.12 H new ATOM 0 HD22 LEU A 94 4.438 -9.983 -2.161 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.305 -11.277 -1.702 1.00 1.12 H new ATOM 1733 N LYS A 95 6.782 -9.909 -5.636 1.00 0.58 N ATOM 1734 CA LYS A 95 7.794 -9.709 -6.663 1.00 0.66 C ATOM 1735 C LYS A 95 9.074 -10.424 -6.261 1.00 0.69 C ATOM 1736 O LYS A 95 9.721 -11.095 -7.068 1.00 0.78 O ATOM 1737 CB LYS A 95 8.038 -8.205 -6.841 1.00 0.70 C ATOM 1738 CG LYS A 95 9.340 -7.855 -7.536 1.00 0.91 C ATOM 1739 CD LYS A 95 9.472 -6.356 -7.735 1.00 1.61 C ATOM 1740 CE LYS A 95 10.897 -5.963 -8.080 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.803 -6.066 -6.904 1.00 3.03 N ATOM 0 H LYS A 95 6.672 -9.121 -4.998 1.00 0.58 H new ATOM 0 HA LYS A 95 7.454 -10.123 -7.612 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.211 -7.781 -7.411 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.026 -7.730 -5.860 1.00 0.70 H new ATOM 0 HG2 LYS A 95 10.180 -8.221 -6.946 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.386 -8.358 -8.502 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.802 -6.033 -8.532 1.00 1.61 H new ATOM 0 HD3 LYS A 95 9.161 -5.839 -6.827 1.00 1.61 H new ATOM 0 HE2 LYS A 95 11.267 -6.605 -8.880 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.910 -4.941 -8.459 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 12.650 -6.609 -7.165 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 12.084 -5.113 -6.598 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.309 -6.548 -6.126 1.00 3.03 H new ATOM 1755 N ASP A 96 9.416 -10.267 -5.001 1.00 0.65 N ATOM 1756 CA ASP A 96 10.545 -10.943 -4.400 1.00 0.70 C ATOM 1757 C ASP A 96 10.282 -11.025 -2.905 1.00 0.65 C ATOM 1758 O ASP A 96 9.465 -10.266 -2.388 1.00 0.60 O ATOM 1759 CB ASP A 96 11.851 -10.188 -4.689 1.00 0.76 C ATOM 1760 CG ASP A 96 11.857 -8.780 -4.135 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.619 -7.830 -4.912 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.114 -8.618 -2.925 1.00 1.79 O ATOM 0 H ASP A 96 8.911 -9.658 -4.357 1.00 0.65 H new ATOM 0 HA ASP A 96 10.659 -11.943 -4.820 1.00 0.70 H new ATOM 0 HB2 ASP A 96 12.687 -10.743 -4.263 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.010 -10.149 -5.767 1.00 0.76 H new ATOM 1767 N PRO A 97 10.948 -11.951 -2.191 1.00 0.73 N ATOM 1768 CA PRO A 97 10.660 -12.243 -0.773 1.00 0.76 C ATOM 1769 C PRO A 97 10.855 -11.056 0.177 1.00 0.66 C ATOM 1770 O PRO A 97 10.717 -11.206 1.393 1.00 0.73 O ATOM 1771 CB PRO A 97 11.651 -13.359 -0.426 1.00 0.91 C ATOM 1772 CG PRO A 97 12.052 -13.945 -1.733 1.00 0.98 C ATOM 1773 CD PRO A 97 12.028 -12.808 -2.709 1.00 0.87 C ATOM 0 HA PRO A 97 9.610 -12.507 -0.649 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.514 -12.966 0.111 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.190 -14.109 0.217 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.045 -14.391 -1.675 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.365 -14.736 -2.035 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.982 -12.282 -2.739 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.821 -13.150 -3.723 1.00 0.87 H new ATOM 1781 N ASN A 98 11.174 -9.888 -0.365 1.00 0.57 N ATOM 1782 CA ASN A 98 11.329 -8.693 0.448 1.00 0.55 C ATOM 1783 C ASN A 98 10.427 -7.564 -0.062 1.00 0.46 C ATOM 1784 O ASN A 98 10.332 -6.511 0.563 1.00 0.50 O ATOM 1785 CB ASN A 98 12.800 -8.249 0.468 1.00 0.68 C ATOM 1786 CG ASN A 98 13.049 -7.038 1.353 1.00 1.38 C ATOM 1787 OD1 ASN A 98 13.043 -5.897 0.886 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.267 -7.274 2.637 1.00 1.91 N ATOM 0 H ASN A 98 11.330 -9.744 -1.363 1.00 0.57 H new ATOM 0 HA ASN A 98 11.025 -8.929 1.468 1.00 0.55 H new ATOM 0 HB2 ASN A 98 13.418 -9.077 0.815 1.00 0.68 H new ATOM 0 HB3 ASN A 98 13.117 -8.019 -0.549 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.438 -6.498 3.276 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.264 -8.232 2.987 1.00 1.91 H new ATOM 1795 N THR A 99 9.740 -7.789 -1.178 1.00 0.43 N ATOM 1796 CA THR A 99 8.910 -6.746 -1.772 1.00 0.39 C ATOM 1797 C THR A 99 7.597 -7.289 -2.351 1.00 0.33 C ATOM 1798 O THR A 99 7.589 -8.108 -3.277 1.00 0.37 O ATOM 1799 CB THR A 99 9.684 -5.990 -2.873 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.895 -5.445 -2.324 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.842 -4.866 -3.461 1.00 0.51 C ATOM 0 H THR A 99 9.741 -8.674 -1.685 1.00 0.43 H new ATOM 0 HA THR A 99 8.656 -6.061 -0.963 1.00 0.39 H new ATOM 0 HB THR A 99 9.922 -6.695 -3.669 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.386 -4.967 -3.025 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.412 -4.350 -4.234 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.933 -5.282 -3.897 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.577 -4.160 -2.674 1.00 0.51 H new ATOM 1809 N LEU A 100 6.492 -6.823 -1.780 1.00 0.28 N ATOM 1810 CA LEU A 100 5.153 -7.100 -2.298 1.00 0.26 C ATOM 1811 C LEU A 100 4.780 -5.986 -3.277 1.00 0.27 C ATOM 1812 O LEU A 100 5.186 -4.849 -3.086 1.00 0.34 O ATOM 1813 CB LEU A 100 4.160 -7.160 -1.116 1.00 0.28 C ATOM 1814 CG LEU A 100 2.717 -7.602 -1.422 1.00 0.45 C ATOM 1815 CD1 LEU A 100 2.024 -8.015 -0.136 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.912 -6.489 -2.078 1.00 1.10 C ATOM 0 H LEU A 100 6.497 -6.241 -0.943 1.00 0.28 H new ATOM 0 HA LEU A 100 5.121 -8.057 -2.819 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.568 -7.839 -0.368 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.119 -6.171 -0.660 1.00 0.28 H new ATOM 0 HG LEU A 100 2.771 -8.442 -2.114 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.003 -8.327 -0.357 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.566 -8.844 0.320 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.004 -7.171 0.554 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.900 -6.841 -2.278 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.872 -5.628 -1.411 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.387 -6.200 -3.015 1.00 1.10 H new ATOM 1828 N THR A 101 4.031 -6.295 -4.324 1.00 0.29 N ATOM 1829 CA THR A 101 3.615 -5.266 -5.267 1.00 0.31 C ATOM 1830 C THR A 101 2.095 -5.200 -5.381 1.00 0.30 C ATOM 1831 O THR A 101 1.428 -6.227 -5.529 1.00 0.31 O ATOM 1832 CB THR A 101 4.229 -5.490 -6.664 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.100 -6.861 -7.067 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.691 -5.089 -6.671 1.00 0.41 C ATOM 0 H THR A 101 3.702 -7.236 -4.542 1.00 0.29 H new ATOM 0 HA THR A 101 3.982 -4.317 -4.876 1.00 0.31 H new ATOM 0 HB THR A 101 3.685 -4.866 -7.373 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.782 -7.396 -6.310 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.109 -5.254 -7.664 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.780 -4.035 -6.410 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.237 -5.690 -5.944 1.00 0.41 H new ATOM 1842 N GLU A 102 1.558 -3.991 -5.293 1.00 0.31 N ATOM 1843 CA GLU A 102 0.124 -3.768 -5.449 1.00 0.33 C ATOM 1844 C GLU A 102 -0.121 -2.961 -6.716 1.00 0.35 C ATOM 1845 O GLU A 102 0.218 -1.776 -6.787 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.459 -3.043 -4.227 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.977 -2.893 -4.267 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.546 -2.167 -3.056 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.027 -2.354 -1.943 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.537 -1.417 -3.217 1.00 0.98 O ATOM 0 H GLU A 102 2.096 -3.143 -5.113 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.378 -4.732 -5.529 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.181 -3.589 -3.325 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.007 -2.054 -4.153 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.257 -2.351 -5.170 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.431 -3.882 -4.334 1.00 0.56 H new ATOM 1857 N THR A 103 -0.694 -3.606 -7.718 1.00 0.36 N ATOM 1858 CA THR A 103 -0.885 -2.982 -9.014 1.00 0.39 C ATOM 1859 C THR A 103 -2.324 -2.513 -9.183 1.00 0.39 C ATOM 1860 O THR A 103 -3.253 -3.319 -9.207 1.00 0.42 O ATOM 1861 CB THR A 103 -0.531 -3.964 -10.143 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.728 -4.585 -9.856 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.457 -3.253 -11.487 1.00 0.46 C ATOM 0 H THR A 103 -1.036 -4.565 -7.657 1.00 0.36 H new ATOM 0 HA THR A 103 -0.223 -2.118 -9.068 1.00 0.39 H new ATOM 0 HB THR A 103 -1.314 -4.720 -10.201 1.00 0.43 H new ATOM 0 HG1 THR A 103 0.954 -5.213 -10.574 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.205 -3.973 -12.266 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.422 -2.798 -11.712 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.309 -2.478 -11.447 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.506 -1.209 -9.283 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.829 -0.637 -9.464 1.00 0.45 C ATOM 1873 C HIS A 104 -4.110 -0.445 -10.946 1.00 0.40 C ATOM 1874 O HIS A 104 -3.429 0.335 -11.612 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.944 0.713 -8.746 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.567 0.686 -7.299 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.044 1.774 -6.631 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.671 -0.299 -6.379 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.848 1.457 -5.368 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.220 0.207 -5.192 1.00 1.69 N ATOM 0 H HIS A 104 -1.752 -0.523 -9.242 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.559 -1.324 -9.036 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.311 1.437 -9.259 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.970 1.069 -8.833 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -2.841 2.682 -7.050 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -4.041 -1.299 -6.550 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.450 2.111 -4.607 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -3.178 -0.303 -4.310 1.00 1.69 H new ATOM 1889 N ILE A 105 -5.098 -1.166 -11.468 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.458 -1.042 -12.873 1.00 0.52 C ATOM 1891 C ILE A 105 -6.912 -0.643 -13.037 1.00 0.54 C ATOM 1892 O ILE A 105 -7.827 -1.355 -12.613 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.218 -2.345 -13.648 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.780 -2.816 -13.447 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.526 -2.140 -15.129 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.429 -4.013 -14.283 1.00 0.75 C ATOM 0 H ILE A 105 -5.659 -1.837 -10.942 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.814 -0.263 -13.282 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.886 -3.117 -13.266 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -3.100 -1.999 -13.689 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.627 -3.058 -12.395 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.352 -3.071 -15.669 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.568 -1.842 -15.246 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.878 -1.361 -15.531 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.394 -4.298 -14.094 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -4.087 -4.843 -14.025 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.551 -3.768 -15.338 1.00 0.75 H new ATOM 1908 N LYS A 106 -7.115 0.512 -13.632 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.451 1.015 -13.898 1.00 0.63 C ATOM 1910 C LYS A 106 -9.184 0.149 -14.920 1.00 0.67 C ATOM 1911 O LYS A 106 -8.735 -0.013 -16.049 1.00 0.70 O ATOM 1912 CB LYS A 106 -8.382 2.469 -14.356 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.867 3.397 -13.269 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.659 4.813 -13.775 1.00 1.05 C ATOM 1915 CE LYS A 106 -7.205 5.729 -12.652 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.856 7.084 -13.144 1.00 1.61 N ATOM 0 H LYS A 106 -6.365 1.128 -13.945 1.00 0.59 H new ATOM 0 HA LYS A 106 -9.023 0.969 -12.971 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.733 2.541 -15.229 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -9.374 2.796 -14.668 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -8.574 3.410 -12.439 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.925 3.010 -12.879 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.916 4.813 -14.572 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.587 5.190 -14.204 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.996 5.807 -11.906 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -6.340 5.291 -12.154 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -7.123 7.792 -12.431 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -5.832 7.137 -13.318 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.368 7.274 -14.029 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.299 -0.435 -14.477 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.156 -1.240 -15.343 1.00 0.78 C ATOM 1932 C VAL A 107 -11.651 -0.430 -16.541 1.00 0.86 C ATOM 1933 O VAL A 107 -12.013 -0.990 -17.578 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.363 -1.828 -14.595 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.929 -2.913 -13.621 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -13.100 -0.731 -13.884 1.00 1.11 C ATOM 0 H VAL A 107 -10.630 -0.363 -13.515 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.538 -2.067 -15.693 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.033 -2.291 -15.320 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.804 -3.311 -13.106 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.433 -3.715 -14.167 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -11.239 -2.491 -12.891 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.955 -1.151 -13.355 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.433 -0.248 -13.170 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.448 0.004 -14.610 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.656 0.888 -16.386 1.00 0.89 N ATOM 1947 CA ASP A 108 -12.050 1.791 -17.460 1.00 1.00 C ATOM 1948 C ASP A 108 -10.855 2.132 -18.335 1.00 0.97 C ATOM 1949 O ASP A 108 -10.916 2.014 -19.560 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.651 3.079 -16.893 1.00 1.05 C ATOM 1951 CG ASP A 108 -14.012 2.863 -16.273 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -14.114 2.884 -15.027 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.988 2.671 -17.027 1.00 2.50 O ATOM 0 H ASP A 108 -11.390 1.358 -15.521 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.803 1.284 -18.063 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.976 3.491 -16.143 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.732 3.819 -17.689 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.765 2.540 -17.696 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.559 2.938 -18.409 1.00 0.92 C ATOM 1960 C ASP A 109 -7.347 2.228 -17.824 1.00 0.84 C ATOM 1961 O ASP A 109 -6.697 2.723 -16.901 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.367 4.453 -18.332 1.00 1.03 C ATOM 1963 CG ASP A 109 -7.243 4.942 -19.220 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -6.062 4.819 -18.830 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -7.539 5.461 -20.316 1.00 1.94 O ATOM 0 H ASP A 109 -9.693 2.604 -16.681 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.666 2.654 -19.456 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -9.294 4.948 -18.620 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -8.160 4.738 -17.300 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.045 1.046 -18.357 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.945 0.210 -17.880 1.00 0.78 C ATOM 1972 C PRO A 110 -4.571 0.725 -18.302 1.00 0.86 C ATOM 1973 O PRO A 110 -3.558 0.062 -18.080 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.235 -1.137 -18.537 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.960 -0.794 -19.783 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.779 0.413 -19.460 1.00 0.83 C ATOM 0 HA PRO A 110 -5.900 0.182 -16.791 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.315 -1.681 -18.750 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.838 -1.773 -17.889 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.264 -0.588 -20.596 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.593 -1.620 -20.107 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.866 1.080 -20.318 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.792 0.142 -19.163 1.00 0.83 H new ATOM 1984 N THR A 111 -4.533 1.895 -18.920 1.00 0.93 N ATOM 1985 CA THR A 111 -3.269 2.495 -19.298 1.00 1.05 C ATOM 1986 C THR A 111 -2.786 3.457 -18.228 1.00 0.94 C ATOM 1987 O THR A 111 -1.590 3.736 -18.119 1.00 0.98 O ATOM 1988 CB THR A 111 -3.358 3.204 -20.660 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.521 4.043 -20.730 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.414 2.179 -21.770 1.00 1.47 C ATOM 0 H THR A 111 -5.357 2.442 -19.168 1.00 0.93 H new ATOM 0 HA THR A 111 -2.543 1.687 -19.393 1.00 1.05 H new ATOM 0 HB THR A 111 -2.471 3.827 -20.775 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.774 4.327 -19.827 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.477 2.688 -22.732 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.515 1.564 -21.743 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.291 1.546 -21.636 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.717 3.945 -17.420 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.372 4.805 -16.293 1.00 0.86 C ATOM 2000 C ASP A 112 -3.211 3.957 -15.035 1.00 0.79 C ATOM 2001 O ASP A 112 -3.869 4.181 -14.020 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.448 5.876 -16.075 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.965 7.019 -15.202 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.319 7.059 -14.004 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.230 7.888 -15.715 1.00 1.40 O ATOM 0 H ASP A 112 -4.715 3.762 -17.522 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.431 5.310 -16.513 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.764 6.270 -17.041 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.324 5.418 -15.616 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.367 2.942 -15.145 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.062 2.061 -14.032 1.00 0.68 C ATOM 2012 C VAL A 113 -1.296 2.773 -12.929 1.00 0.60 C ATOM 2013 O VAL A 113 -0.983 3.959 -13.034 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.246 0.841 -14.487 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.121 -0.116 -15.267 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.043 1.270 -15.317 1.00 1.23 C ATOM 0 H VAL A 113 -1.876 2.708 -16.008 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.024 1.733 -13.639 1.00 0.68 H new ATOM 0 HB VAL A 113 -0.875 0.327 -13.600 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.529 -0.975 -15.583 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -2.943 -0.454 -14.636 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.522 0.391 -16.145 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.518 0.388 -15.627 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.384 1.812 -16.199 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.599 1.917 -14.720 1.00 1.23 H new ATOM 2026 N GLU A 114 -1.004 2.037 -11.872 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.252 2.568 -10.747 1.00 0.47 C ATOM 2028 C GLU A 114 0.280 1.417 -9.903 1.00 0.44 C ATOM 2029 O GLU A 114 -0.438 0.448 -9.657 1.00 0.48 O ATOM 2030 CB GLU A 114 -1.157 3.466 -9.904 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.439 4.204 -8.794 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.410 4.910 -7.876 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.237 4.218 -7.241 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -1.346 6.155 -7.779 1.00 2.10 O ATOM 0 H GLU A 114 -1.279 1.060 -11.768 1.00 0.45 H new ATOM 0 HA GLU A 114 0.588 3.158 -11.114 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.638 4.194 -10.557 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.949 2.857 -9.467 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.161 3.500 -8.218 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.249 4.931 -9.225 1.00 0.96 H new ATOM 2041 N THR A 115 1.526 1.508 -9.464 1.00 0.45 N ATOM 2042 CA THR A 115 2.128 0.425 -8.704 1.00 0.45 C ATOM 2043 C THR A 115 2.761 0.922 -7.406 1.00 0.44 C ATOM 2044 O THR A 115 3.647 1.779 -7.411 1.00 0.51 O ATOM 2045 CB THR A 115 3.186 -0.331 -9.538 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.578 -0.882 -10.715 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.826 -1.453 -8.730 1.00 0.53 C ATOM 0 H THR A 115 2.134 2.312 -9.619 1.00 0.45 H new ATOM 0 HA THR A 115 1.319 -0.261 -8.453 1.00 0.45 H new ATOM 0 HB THR A 115 3.962 0.380 -9.820 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.254 -1.358 -11.240 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.566 -1.967 -9.344 1.00 0.53 H new ATOM 0 HG22 THR A 115 4.312 -1.035 -7.849 1.00 0.53 H new ATOM 0 HG23 THR A 115 3.058 -2.161 -8.419 1.00 0.53 H new ATOM 2055 N TYR A 116 2.281 0.376 -6.299 1.00 0.41 N ATOM 2056 CA TYR A 116 2.907 0.584 -5.001 1.00 0.43 C ATOM 2057 C TYR A 116 3.671 -0.682 -4.662 1.00 0.38 C ATOM 2058 O TYR A 116 3.290 -1.760 -5.128 1.00 0.39 O ATOM 2059 CB TYR A 116 1.869 0.843 -3.900 1.00 0.54 C ATOM 2060 CG TYR A 116 0.968 2.046 -4.109 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.193 2.962 -5.127 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.121 2.256 -3.269 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.361 4.048 -5.300 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.955 3.342 -3.436 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.712 4.234 -4.455 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.545 5.312 -4.635 1.00 0.96 O ATOM 0 H TYR A 116 1.453 -0.219 -6.274 1.00 0.41 H new ATOM 0 HA TYR A 116 3.557 1.457 -5.054 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.242 -0.043 -3.802 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.395 0.967 -2.953 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.032 2.822 -5.793 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.317 1.555 -2.471 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.550 4.752 -6.097 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.793 3.491 -2.771 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.098 5.169 -5.431 1.00 0.96 H new ATOM 2076 N GLU A 117 4.722 -0.600 -3.865 1.00 0.37 N ATOM 2077 CA GLU A 117 5.467 -1.786 -3.496 1.00 0.35 C ATOM 2078 C GLU A 117 5.670 -1.766 -1.986 1.00 0.34 C ATOM 2079 O GLU A 117 6.046 -0.742 -1.421 1.00 0.44 O ATOM 2080 CB GLU A 117 6.832 -1.830 -4.197 1.00 0.44 C ATOM 2081 CG GLU A 117 6.784 -1.559 -5.693 1.00 0.92 C ATOM 2082 CD GLU A 117 8.141 -1.713 -6.351 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.533 -2.856 -6.679 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.829 -0.690 -6.545 1.00 1.18 O ATOM 0 H GLU A 117 5.075 0.269 -3.465 1.00 0.37 H new ATOM 0 HA GLU A 117 4.908 -2.670 -3.804 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.490 -1.098 -3.729 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.279 -2.811 -4.033 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.076 -2.243 -6.161 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.412 -0.549 -5.865 1.00 0.92 H new ATOM 2091 N TYR A 118 5.392 -2.874 -1.337 1.00 0.29 N ATOM 2092 CA TYR A 118 5.544 -2.973 0.104 1.00 0.29 C ATOM 2093 C TYR A 118 6.775 -3.801 0.440 1.00 0.31 C ATOM 2094 O TYR A 118 6.739 -5.030 0.377 1.00 0.41 O ATOM 2095 CB TYR A 118 4.305 -3.616 0.730 1.00 0.32 C ATOM 2096 CG TYR A 118 3.007 -2.885 0.454 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.527 -1.917 1.327 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.273 -3.144 -0.693 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.368 -1.240 1.066 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.104 -2.467 -0.957 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.613 -1.585 -0.028 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.486 -0.823 -0.311 1.00 0.60 O ATOM 0 H TYR A 118 5.057 -3.727 -1.785 1.00 0.29 H new ATOM 0 HA TYR A 118 5.662 -1.968 0.510 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.217 -4.638 0.361 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.450 -3.678 1.809 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.079 -1.695 2.228 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.624 -3.889 -1.391 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.048 -0.439 1.716 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.578 -2.629 -1.887 1.00 0.52 H new ATOM 0 HH TYR A 118 -1.153 -1.370 -0.776 1.00 0.60 H new ATOM 2112 N ARG A 119 7.869 -3.135 0.774 1.00 0.31 N ATOM 2113 CA ARG A 119 9.090 -3.843 1.118 1.00 0.35 C ATOM 2114 C ARG A 119 9.405 -3.671 2.599 1.00 0.35 C ATOM 2115 O ARG A 119 8.994 -2.693 3.222 1.00 0.42 O ATOM 2116 CB ARG A 119 10.263 -3.398 0.219 1.00 0.46 C ATOM 2117 CG ARG A 119 10.822 -2.004 0.486 1.00 1.14 C ATOM 2118 CD ARG A 119 11.865 -2.010 1.597 1.00 1.30 C ATOM 2119 NE ARG A 119 12.875 -3.058 1.410 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.165 -2.924 1.720 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.644 -1.756 2.121 1.00 2.76 N ATOM 2122 NH2 ARG A 119 14.985 -3.959 1.592 1.00 3.41 N ATOM 0 H ARG A 119 7.936 -2.118 0.814 1.00 0.31 H new ATOM 0 HA ARG A 119 8.939 -4.907 0.935 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.073 -4.119 0.330 1.00 0.46 H new ATOM 0 HB3 ARG A 119 9.935 -3.443 -0.820 1.00 0.46 H new ATOM 0 HG2 ARG A 119 11.268 -1.611 -0.428 1.00 1.14 H new ATOM 0 HG3 ARG A 119 10.007 -1.333 0.757 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.357 -1.038 1.635 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.369 -2.154 2.557 1.00 1.30 H new ATOM 0 HE ARG A 119 12.570 -3.948 1.017 1.00 1.83 H new ATOM 0 HH11 ARG A 119 14.025 -0.949 2.195 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.632 -1.664 2.356 1.00 2.76 H new ATOM 0 HH21 ARG A 119 14.628 -4.854 1.257 1.00 3.41 H new ATOM 0 HH22 ARG A 119 15.972 -3.860 1.828 1.00 3.41 H new ATOM 2136 N ARG A 120 10.125 -4.625 3.166 1.00 0.36 N ATOM 2137 CA ARG A 120 10.411 -4.619 4.594 1.00 0.41 C ATOM 2138 C ARG A 120 11.871 -4.263 4.841 1.00 0.46 C ATOM 2139 O ARG A 120 12.775 -4.914 4.310 1.00 0.63 O ATOM 2140 CB ARG A 120 10.096 -5.993 5.195 1.00 0.49 C ATOM 2141 CG ARG A 120 10.238 -6.063 6.709 1.00 1.06 C ATOM 2142 CD ARG A 120 9.179 -5.234 7.417 1.00 0.97 C ATOM 2143 NE ARG A 120 9.241 -5.399 8.869 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.378 -4.850 9.724 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.391 -4.079 9.282 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.504 -5.074 11.025 1.00 1.96 N ATOM 0 H ARG A 120 10.523 -5.416 2.659 1.00 0.36 H new ATOM 0 HA ARG A 120 9.784 -3.868 5.074 1.00 0.41 H new ATOM 0 HB2 ARG A 120 9.077 -6.270 4.924 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.758 -6.733 4.745 1.00 0.49 H new ATOM 0 HG2 ARG A 120 10.163 -7.101 7.033 1.00 1.06 H new ATOM 0 HG3 ARG A 120 11.228 -5.710 6.997 1.00 1.06 H new ATOM 0 HD2 ARG A 120 9.312 -4.182 7.165 1.00 0.97 H new ATOM 0 HD3 ARG A 120 8.191 -5.525 7.060 1.00 0.97 H new ATOM 0 HE ARG A 120 9.993 -5.971 9.252 1.00 1.27 H new ATOM 0 HH11 ARG A 120 7.289 -3.904 8.282 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.735 -3.662 9.942 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.260 -5.665 11.370 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.845 -4.655 11.681 1.00 1.96 H new ATOM 2160 N ASP A 121 12.101 -3.232 5.641 1.00 0.49 N ATOM 2161 CA ASP A 121 13.457 -2.822 5.976 1.00 0.59 C ATOM 2162 C ASP A 121 13.587 -2.631 7.477 1.00 0.66 C ATOM 2163 O ASP A 121 12.969 -1.730 8.054 1.00 1.08 O ATOM 2164 CB ASP A 121 13.836 -1.538 5.242 1.00 0.67 C ATOM 2165 CG ASP A 121 15.293 -1.168 5.432 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.160 -1.806 4.792 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.580 -0.237 6.213 1.00 0.88 O ATOM 0 H ASP A 121 11.369 -2.666 6.069 1.00 0.49 H new ATOM 0 HA ASP A 121 14.142 -3.608 5.658 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.631 -1.658 4.178 1.00 0.67 H new ATOM 0 HB3 ASP A 121 13.208 -0.721 5.598 1.00 0.67 H new ATOM 2172 N GLY A 122 14.375 -3.488 8.104 1.00 0.73 N ATOM 2173 CA GLY A 122 14.530 -3.440 9.541 1.00 0.83 C ATOM 2174 C GLY A 122 13.238 -3.784 10.247 1.00 0.78 C ATOM 2175 O GLY A 122 12.756 -4.912 10.155 1.00 0.92 O ATOM 0 H GLY A 122 14.913 -4.220 7.640 1.00 0.73 H new ATOM 0 HA2 GLY A 122 15.311 -4.136 9.848 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.856 -2.444 9.840 1.00 0.83 H new ATOM 2179 N ASP A 123 12.662 -2.808 10.934 1.00 0.70 N ATOM 2180 CA ASP A 123 11.392 -3.009 11.612 1.00 0.78 C ATOM 2181 C ASP A 123 10.318 -2.114 11.007 1.00 0.64 C ATOM 2182 O ASP A 123 9.226 -1.985 11.551 1.00 0.75 O ATOM 2183 CB ASP A 123 11.517 -2.746 13.121 1.00 0.98 C ATOM 2184 CG ASP A 123 11.691 -1.276 13.471 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.682 -0.612 13.795 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.843 -0.788 13.456 1.00 2.31 O ATOM 0 H ASP A 123 13.054 -1.872 11.036 1.00 0.70 H new ATOM 0 HA ASP A 123 11.102 -4.051 11.475 1.00 0.78 H new ATOM 0 HB2 ASP A 123 10.628 -3.127 13.623 1.00 0.98 H new ATOM 0 HB3 ASP A 123 12.367 -3.306 13.510 1.00 0.98 H new ATOM 2191 N TYR A 124 10.622 -1.513 9.867 1.00 0.48 N ATOM 2192 CA TYR A 124 9.676 -0.626 9.210 1.00 0.36 C ATOM 2193 C TYR A 124 9.175 -1.226 7.912 1.00 0.33 C ATOM 2194 O TYR A 124 9.922 -1.881 7.178 1.00 0.39 O ATOM 2195 CB TYR A 124 10.311 0.736 8.923 1.00 0.32 C ATOM 2196 CG TYR A 124 10.604 1.543 10.163 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.799 1.386 10.852 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.687 2.464 10.644 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.072 2.127 11.986 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.950 3.206 11.773 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.144 3.018 12.452 1.00 0.56 C ATOM 2202 OH TYR A 124 11.405 3.780 13.568 1.00 0.67 O ATOM 0 H TYR A 124 11.512 -1.623 9.380 1.00 0.48 H new ATOM 0 HA TYR A 124 8.834 -0.493 9.889 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.239 0.585 8.371 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.645 1.308 8.277 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.528 0.673 10.496 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.750 2.602 10.124 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.013 2.004 12.502 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.231 3.930 12.128 1.00 0.58 H new ATOM 0 HH TYR A 124 10.637 4.359 13.756 1.00 0.67 H new ATOM 2212 N LEU A 125 7.900 -1.014 7.644 1.00 0.30 N ATOM 2213 CA LEU A 125 7.329 -1.308 6.350 1.00 0.30 C ATOM 2214 C LEU A 125 7.637 -0.119 5.455 1.00 0.27 C ATOM 2215 O LEU A 125 7.188 0.994 5.714 1.00 0.31 O ATOM 2216 CB LEU A 125 5.808 -1.546 6.500 1.00 0.36 C ATOM 2217 CG LEU A 125 5.000 -1.892 5.231 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.694 -0.651 4.401 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.723 -2.931 4.390 1.00 0.88 C ATOM 0 H LEU A 125 7.235 -0.634 8.318 1.00 0.30 H new ATOM 0 HA LEU A 125 7.748 -2.213 5.911 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.666 -2.354 7.217 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.371 -0.649 6.940 1.00 0.36 H new ATOM 0 HG LEU A 125 4.050 -2.314 5.559 1.00 0.44 H new ATOM 0 HD11 LEU A 125 4.124 -0.936 3.517 1.00 1.03 H new ATOM 0 HD12 LEU A 125 4.111 0.051 4.997 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.627 -0.179 4.095 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.132 -3.156 3.502 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.696 -2.542 4.089 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.861 -3.841 4.975 1.00 0.88 H new ATOM 2231 N VAL A 126 8.422 -0.341 4.425 1.00 0.29 N ATOM 2232 CA VAL A 126 8.876 0.758 3.605 1.00 0.34 C ATOM 2233 C VAL A 126 8.089 0.791 2.315 1.00 0.36 C ATOM 2234 O VAL A 126 8.236 -0.075 1.449 1.00 0.43 O ATOM 2235 CB VAL A 126 10.388 0.692 3.309 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.824 1.884 2.466 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.179 0.637 4.609 1.00 0.47 C ATOM 0 H VAL A 126 8.756 -1.261 4.138 1.00 0.29 H new ATOM 0 HA VAL A 126 8.705 1.677 4.166 1.00 0.34 H new ATOM 0 HB VAL A 126 10.589 -0.217 2.742 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.894 1.818 2.269 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.280 1.880 1.522 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.611 2.808 3.004 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.245 0.591 4.385 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.971 1.529 5.200 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.888 -0.248 5.175 1.00 0.47 H new ATOM 2247 N MET A 127 7.223 1.777 2.227 1.00 0.38 N ATOM 2248 CA MET A 127 6.392 1.968 1.066 1.00 0.46 C ATOM 2249 C MET A 127 7.248 2.424 -0.096 1.00 0.33 C ATOM 2250 O MET A 127 7.916 3.455 -0.017 1.00 0.33 O ATOM 2251 CB MET A 127 5.325 3.009 1.369 1.00 0.65 C ATOM 2252 CG MET A 127 4.143 2.951 0.434 1.00 0.87 C ATOM 2253 SD MET A 127 3.247 1.405 0.585 1.00 1.08 S ATOM 2254 CE MET A 127 1.863 1.758 -0.478 1.00 0.66 C ATOM 0 H MET A 127 7.078 2.469 2.962 1.00 0.38 H new ATOM 0 HA MET A 127 5.906 1.028 0.804 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.975 2.872 2.392 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.772 4.002 1.315 1.00 0.65 H new ATOM 0 HG2 MET A 127 3.471 3.782 0.646 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.486 3.073 -0.593 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.450 0.824 -0.860 1.00 0.66 H new ATOM 0 HE2 MET A 127 1.097 2.289 0.087 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.193 2.377 -1.312 1.00 0.66 H new ATOM 2264 N LYS A 128 7.231 1.657 -1.162 1.00 0.33 N ATOM 2265 CA LYS A 128 8.075 1.912 -2.306 1.00 0.35 C ATOM 2266 C LYS A 128 7.199 2.178 -3.524 1.00 0.35 C ATOM 2267 O LYS A 128 6.813 1.271 -4.251 1.00 0.44 O ATOM 2268 CB LYS A 128 9.008 0.706 -2.504 1.00 0.55 C ATOM 2269 CG LYS A 128 9.718 0.634 -3.848 1.00 0.82 C ATOM 2270 CD LYS A 128 10.598 1.840 -4.113 1.00 0.99 C ATOM 2271 CE LYS A 128 11.478 1.607 -5.332 1.00 1.42 C ATOM 2272 NZ LYS A 128 10.685 1.252 -6.543 1.00 2.20 N ATOM 0 H LYS A 128 6.631 0.838 -1.260 1.00 0.33 H new ATOM 0 HA LYS A 128 8.695 2.795 -2.153 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.761 0.720 -1.716 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.426 -0.206 -2.372 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.327 -0.269 -3.884 1.00 0.82 H new ATOM 0 HG3 LYS A 128 8.976 0.550 -4.642 1.00 0.82 H new ATOM 0 HD2 LYS A 128 9.977 2.722 -4.270 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.221 2.040 -3.241 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.061 2.505 -5.533 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.187 0.808 -5.118 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 11.245 0.623 -7.153 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 9.811 0.767 -6.256 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 10.444 2.118 -7.067 1.00 2.20 H new ATOM 2286 N MET A 129 6.846 3.434 -3.708 1.00 0.36 N ATOM 2287 CA MET A 129 5.993 3.833 -4.817 1.00 0.41 C ATOM 2288 C MET A 129 6.849 4.496 -5.880 1.00 0.35 C ATOM 2289 O MET A 129 7.731 5.288 -5.552 1.00 0.40 O ATOM 2290 CB MET A 129 4.917 4.800 -4.321 1.00 0.49 C ATOM 2291 CG MET A 129 4.168 4.288 -3.103 1.00 1.02 C ATOM 2292 SD MET A 129 3.331 5.598 -2.193 1.00 1.11 S ATOM 2293 CE MET A 129 2.133 6.147 -3.404 1.00 0.50 C ATOM 0 H MET A 129 7.137 4.202 -3.103 1.00 0.36 H new ATOM 0 HA MET A 129 5.501 2.958 -5.242 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.381 5.756 -4.079 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.205 4.985 -5.126 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.435 3.546 -3.419 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.868 3.781 -2.439 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.231 7.223 -3.551 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.310 5.634 -4.349 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.127 5.919 -3.050 1.00 0.50 H new ATOM 2303 N SER A 130 6.636 4.154 -7.140 1.00 0.34 N ATOM 2304 CA SER A 130 7.447 4.724 -8.204 1.00 0.33 C ATOM 2305 C SER A 130 6.641 4.918 -9.476 1.00 0.33 C ATOM 2306 O SER A 130 5.856 4.054 -9.878 1.00 0.38 O ATOM 2307 CB SER A 130 8.654 3.836 -8.483 1.00 0.39 C ATOM 2308 OG SER A 130 9.305 3.480 -7.273 1.00 1.06 O ATOM 0 H SER A 130 5.921 3.496 -7.448 1.00 0.34 H new ATOM 0 HA SER A 130 7.790 5.703 -7.870 1.00 0.33 H new ATOM 0 HB2 SER A 130 8.336 2.936 -9.009 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.352 4.358 -9.138 1.00 0.39 H new ATOM 0 HG SER A 130 8.753 2.837 -6.781 1.00 1.06 H new ATOM 2314 N TRP A 131 6.845 6.068 -10.087 1.00 0.32 N ATOM 2315 CA TRP A 131 6.189 6.418 -11.334 1.00 0.34 C ATOM 2316 C TRP A 131 7.072 7.373 -12.121 1.00 0.34 C ATOM 2317 O TRP A 131 7.553 8.366 -11.577 1.00 0.33 O ATOM 2318 CB TRP A 131 4.827 7.058 -11.055 1.00 0.36 C ATOM 2319 CG TRP A 131 3.974 7.193 -12.274 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.789 8.317 -13.022 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.191 6.167 -12.892 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.942 8.055 -14.068 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.562 6.741 -14.014 1.00 0.54 C ATOM 2324 CE3 TRP A 131 2.962 4.817 -12.609 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.723 6.013 -14.852 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.128 4.096 -13.442 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.520 4.695 -14.553 1.00 0.76 C ATOM 0 H TRP A 131 7.473 6.790 -9.732 1.00 0.32 H new ATOM 0 HA TRP A 131 6.029 5.514 -11.922 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.297 6.459 -10.314 1.00 0.36 H new ATOM 0 HB3 TRP A 131 4.980 8.044 -10.617 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.244 9.276 -12.820 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.643 8.730 -14.772 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.428 4.347 -11.756 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.250 6.473 -15.707 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 1.942 3.053 -13.233 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.877 4.102 -15.187 1.00 0.76 H new ATOM 2338 N LYS A 132 7.277 7.060 -13.399 1.00 0.37 N ATOM 2339 CA LYS A 132 8.170 7.826 -14.266 1.00 0.40 C ATOM 2340 C LYS A 132 9.534 8.055 -13.614 1.00 0.39 C ATOM 2341 O LYS A 132 10.075 9.161 -13.642 1.00 0.42 O ATOM 2342 CB LYS A 132 7.538 9.163 -14.672 1.00 0.44 C ATOM 2343 CG LYS A 132 6.763 9.111 -15.986 1.00 0.68 C ATOM 2344 CD LYS A 132 5.634 8.098 -15.943 1.00 1.22 C ATOM 2345 CE LYS A 132 4.815 8.113 -17.224 1.00 1.43 C ATOM 2346 NZ LYS A 132 5.602 7.670 -18.404 1.00 1.96 N ATOM 0 H LYS A 132 6.829 6.269 -13.862 1.00 0.37 H new ATOM 0 HA LYS A 132 8.326 7.232 -15.167 1.00 0.40 H new ATOM 0 HB2 LYS A 132 6.866 9.491 -13.879 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.324 9.914 -14.755 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.356 10.098 -16.205 1.00 0.68 H new ATOM 0 HG3 LYS A 132 7.444 8.859 -16.799 1.00 0.68 H new ATOM 0 HD2 LYS A 132 6.046 7.101 -15.786 1.00 1.22 H new ATOM 0 HD3 LYS A 132 4.985 8.312 -15.094 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.947 7.464 -17.105 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.438 9.121 -17.399 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.973 7.583 -19.228 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 6.345 8.368 -18.608 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 6.039 6.748 -18.204 1.00 1.96 H new ATOM 2360 N GLY A 133 10.076 7.002 -13.016 1.00 0.40 N ATOM 2361 CA GLY A 133 11.394 7.083 -12.412 1.00 0.42 C ATOM 2362 C GLY A 133 11.383 7.665 -11.011 1.00 0.40 C ATOM 2363 O GLY A 133 12.345 7.493 -10.259 1.00 0.53 O ATOM 0 H GLY A 133 9.626 6.090 -12.938 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.832 6.085 -12.379 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.038 7.693 -13.045 1.00 0.42 H new ATOM 2367 N VAL A 134 10.305 8.353 -10.653 1.00 0.35 N ATOM 2368 CA VAL A 134 10.205 8.987 -9.347 1.00 0.34 C ATOM 2369 C VAL A 134 9.839 7.962 -8.285 1.00 0.36 C ATOM 2370 O VAL A 134 8.705 7.482 -8.240 1.00 0.40 O ATOM 2371 CB VAL A 134 9.146 10.109 -9.326 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.248 10.907 -8.035 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.284 11.018 -10.534 1.00 0.43 C ATOM 0 H VAL A 134 9.489 8.485 -11.250 1.00 0.35 H new ATOM 0 HA VAL A 134 11.182 9.422 -9.136 1.00 0.34 H new ATOM 0 HB VAL A 134 8.160 9.646 -9.372 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.495 11.695 -8.034 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.082 10.246 -7.184 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.240 11.353 -7.960 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.524 11.798 -10.491 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.274 11.475 -10.534 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.153 10.434 -11.445 1.00 0.43 H new ATOM 2383 N SER A 135 10.799 7.614 -7.447 1.00 0.38 N ATOM 2384 CA SER A 135 10.558 6.680 -6.372 1.00 0.42 C ATOM 2385 C SER A 135 10.454 7.388 -5.033 1.00 0.40 C ATOM 2386 O SER A 135 11.333 8.159 -4.645 1.00 0.51 O ATOM 2387 CB SER A 135 11.665 5.640 -6.326 1.00 0.50 C ATOM 2388 OG SER A 135 12.765 6.019 -7.140 1.00 1.14 O ATOM 0 H SER A 135 11.755 7.968 -7.494 1.00 0.38 H new ATOM 0 HA SER A 135 9.606 6.186 -6.565 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.000 5.508 -5.297 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.277 4.678 -6.661 1.00 0.50 H new ATOM 0 HG SER A 135 13.462 5.332 -7.089 1.00 1.14 H new ATOM 2394 N THR A 136 9.377 7.110 -4.334 1.00 0.35 N ATOM 2395 CA THR A 136 9.159 7.670 -3.017 1.00 0.34 C ATOM 2396 C THR A 136 9.147 6.558 -1.976 1.00 0.31 C ATOM 2397 O THR A 136 8.465 5.544 -2.143 1.00 0.34 O ATOM 2398 CB THR A 136 7.849 8.493 -2.950 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.587 8.903 -1.603 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.664 7.705 -3.480 1.00 0.39 C ATOM 0 H THR A 136 8.631 6.494 -4.658 1.00 0.35 H new ATOM 0 HA THR A 136 9.980 8.354 -2.803 1.00 0.34 H new ATOM 0 HB THR A 136 7.984 9.372 -3.581 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.434 9.100 -1.150 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.763 8.316 -3.417 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.845 7.431 -4.520 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.532 6.801 -2.885 1.00 0.39 H new ATOM 2408 N SER A 137 9.933 6.738 -0.926 1.00 0.33 N ATOM 2409 CA SER A 137 10.016 5.757 0.138 1.00 0.32 C ATOM 2410 C SER A 137 9.321 6.287 1.382 1.00 0.31 C ATOM 2411 O SER A 137 9.767 7.268 1.980 1.00 0.40 O ATOM 2412 CB SER A 137 11.478 5.436 0.450 1.00 0.39 C ATOM 2413 OG SER A 137 12.167 5.022 -0.718 1.00 0.79 O ATOM 0 H SER A 137 10.524 7.558 -0.790 1.00 0.33 H new ATOM 0 HA SER A 137 9.520 4.842 -0.186 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.965 6.315 0.872 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.529 4.651 1.204 1.00 0.39 H new ATOM 0 HG SER A 137 13.100 4.824 -0.494 1.00 0.79 H new ATOM 2419 N ARG A 138 8.223 5.659 1.751 1.00 0.35 N ATOM 2420 CA ARG A 138 7.465 6.092 2.910 1.00 0.44 C ATOM 2421 C ARG A 138 7.635 5.089 4.036 1.00 0.39 C ATOM 2422 O ARG A 138 7.361 3.902 3.873 1.00 0.43 O ATOM 2423 CB ARG A 138 5.988 6.266 2.552 1.00 0.63 C ATOM 2424 CG ARG A 138 5.775 6.816 1.151 1.00 1.08 C ATOM 2425 CD ARG A 138 4.391 7.410 0.989 1.00 0.88 C ATOM 2426 NE ARG A 138 4.246 8.650 1.747 1.00 0.82 N ATOM 2427 CZ ARG A 138 3.081 9.168 2.113 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.952 8.515 1.857 1.00 1.84 N ATOM 2429 NH2 ARG A 138 3.051 10.324 2.766 1.00 1.63 N ATOM 0 H ARG A 138 7.835 4.849 1.267 1.00 0.35 H new ATOM 0 HA ARG A 138 7.843 7.059 3.242 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.483 5.304 2.639 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.522 6.937 3.274 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.525 7.578 0.941 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.917 6.019 0.421 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.199 7.603 -0.066 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.644 6.690 1.322 1.00 0.88 H new ATOM 0 HE ARG A 138 5.095 9.150 2.012 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.981 7.615 1.379 1.00 1.84 H new ATOM 0 HH12 ARG A 138 1.057 8.914 2.139 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.921 10.809 2.984 1.00 1.63 H new ATOM 0 HH22 ARG A 138 2.158 10.726 3.050 1.00 1.63 H new ATOM 2443 N TYR A 139 8.096 5.565 5.173 1.00 0.39 N ATOM 2444 CA TYR A 139 8.425 4.693 6.281 1.00 0.36 C ATOM 2445 C TYR A 139 7.224 4.491 7.184 1.00 0.34 C ATOM 2446 O TYR A 139 6.807 5.397 7.912 1.00 0.39 O ATOM 2447 CB TYR A 139 9.611 5.252 7.064 1.00 0.42 C ATOM 2448 CG TYR A 139 10.885 5.284 6.253 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.125 6.307 5.342 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.841 4.285 6.385 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.279 6.330 4.587 1.00 0.52 C ATOM 2452 CE2 TYR A 139 13.000 4.305 5.635 1.00 0.56 C ATOM 2453 CZ TYR A 139 13.212 5.329 4.738 1.00 0.56 C ATOM 2454 OH TYR A 139 14.362 5.349 3.984 1.00 0.64 O ATOM 0 H TYR A 139 8.252 6.556 5.355 1.00 0.39 H new ATOM 0 HA TYR A 139 8.708 3.719 5.881 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.375 6.261 7.401 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.769 4.647 7.957 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.397 7.096 5.224 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.675 3.480 7.085 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.450 7.129 3.881 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.736 3.523 5.751 1.00 0.56 H new ATOM 0 HH TYR A 139 14.916 4.573 4.211 1.00 0.64 H new ATOM 2464 N TYR A 140 6.666 3.299 7.106 1.00 0.29 N ATOM 2465 CA TYR A 140 5.548 2.918 7.935 1.00 0.27 C ATOM 2466 C TYR A 140 6.040 2.083 9.100 1.00 0.29 C ATOM 2467 O TYR A 140 6.638 1.025 8.909 1.00 0.37 O ATOM 2468 CB TYR A 140 4.521 2.112 7.133 1.00 0.27 C ATOM 2469 CG TYR A 140 3.683 2.931 6.179 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.429 3.387 6.560 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.133 3.240 4.900 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.648 4.125 5.697 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.354 3.982 4.031 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.114 4.419 4.435 1.00 0.48 C ATOM 2475 OH TYR A 140 1.334 5.162 3.583 1.00 0.60 O ATOM 0 H TYR A 140 6.978 2.570 6.465 1.00 0.29 H new ATOM 0 HA TYR A 140 5.069 3.826 8.302 1.00 0.27 H new ATOM 0 HB2 TYR A 140 5.045 1.343 6.566 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.858 1.599 7.829 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.059 3.160 7.549 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.105 2.895 4.581 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.674 4.472 6.009 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.717 4.217 3.041 1.00 0.52 H new ATOM 0 HH TYR A 140 1.804 5.284 2.732 1.00 0.60 H new ATOM 2485 N LYS A 141 5.793 2.554 10.299 1.00 0.37 N ATOM 2486 CA LYS A 141 6.111 1.783 11.478 1.00 0.48 C ATOM 2487 C LYS A 141 4.856 1.054 11.880 1.00 0.45 C ATOM 2488 O LYS A 141 3.792 1.419 11.417 1.00 0.54 O ATOM 2489 CB LYS A 141 6.569 2.667 12.612 1.00 0.69 C ATOM 2490 CG LYS A 141 5.458 3.481 13.222 1.00 0.72 C ATOM 2491 CD LYS A 141 5.939 4.151 14.472 1.00 0.97 C ATOM 2492 CE LYS A 141 7.170 4.982 14.169 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.740 5.635 15.374 1.00 1.92 N ATOM 0 H LYS A 141 5.374 3.465 10.484 1.00 0.37 H new ATOM 0 HA LYS A 141 6.926 1.093 11.259 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.022 2.047 13.386 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.345 3.340 12.248 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.111 4.229 12.509 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.608 2.838 13.449 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.153 4.785 14.881 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.172 3.403 15.230 1.00 0.97 H new ATOM 0 HE2 LYS A 141 7.929 4.345 13.715 1.00 1.45 H new ATOM 0 HE3 LYS A 141 6.914 5.746 13.435 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.407 6.378 15.083 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 6.973 6.058 15.935 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.239 4.927 15.949 1.00 1.92 H new ATOM 2507 N LYS A 142 4.953 0.029 12.694 1.00 0.44 N ATOM 2508 CA LYS A 142 3.749 -0.611 13.209 1.00 0.43 C ATOM 2509 C LYS A 142 2.916 0.386 14.037 1.00 0.36 C ATOM 2510 O LYS A 142 3.199 1.586 14.073 1.00 0.34 O ATOM 2511 CB LYS A 142 4.118 -1.838 14.045 1.00 0.54 C ATOM 2512 CG LYS A 142 3.135 -2.987 13.891 1.00 0.87 C ATOM 2513 CD LYS A 142 3.585 -4.223 14.648 1.00 1.30 C ATOM 2514 CE LYS A 142 2.634 -5.386 14.418 1.00 1.43 C ATOM 2515 NZ LYS A 142 3.047 -6.600 15.166 1.00 2.13 N ATOM 0 H LYS A 142 5.832 -0.379 13.013 1.00 0.44 H new ATOM 0 HA LYS A 142 3.141 -0.939 12.366 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.113 -2.179 13.758 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.170 -1.551 15.095 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.155 -2.677 14.253 1.00 0.87 H new ATOM 0 HG3 LYS A 142 3.023 -3.229 12.834 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.589 -4.502 14.329 1.00 1.30 H new ATOM 0 HD3 LYS A 142 3.640 -4.000 15.714 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.628 -5.097 14.723 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.591 -5.614 13.353 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.371 -7.369 14.981 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 3.996 -6.892 14.857 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.063 -6.391 16.185 1.00 2.13 H new ATOM 2529 N GLN A 143 1.809 -0.076 14.578 1.00 0.44 N ATOM 2530 CA GLN A 143 1.148 0.648 15.651 1.00 0.53 C ATOM 2531 C GLN A 143 1.779 0.299 16.991 1.00 0.68 C ATOM 2532 O GLN A 143 1.721 -0.882 17.391 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.345 0.328 15.673 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.125 0.964 14.543 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.335 2.451 14.733 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.374 2.960 15.858 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.492 3.153 13.631 1.00 1.28 N ATOM 2538 OXT GLN A 143 2.330 1.211 17.644 1.00 1.19 O ATOM 0 H GLN A 143 1.348 -0.942 14.298 1.00 0.44 H new ATOM 0 HA GLN A 143 1.271 1.716 15.472 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.476 -0.753 15.628 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.764 0.660 16.623 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.598 0.794 13.604 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.095 0.474 14.457 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.452 2.691 12.722 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -1.653 4.159 13.686 1.00 1.28 H new